Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600410 | 2n41 RC | 25664 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n41
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 1850
_Distance_constraint_stats_list.Viol_count 389
_Distance_constraint_stats_list.Viol_total 574.147
_Distance_constraint_stats_list.Viol_max 0.666
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0738
_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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.456 0.130 7 0 "[ . 1 . 2]"
1 12 ILE 1.214 0.175 3 0 "[ . 1 . 2]"
1 13 GLN 0.367 0.132 14 0 "[ . 1 . 2]"
1 14 VAL 0.580 0.108 19 0 "[ . 1 . 2]"
1 15 GLN 0.555 0.101 2 0 "[ . 1 . 2]"
1 16 ASN 0.082 0.081 17 0 "[ . 1 . 2]"
1 17 ASN 0.107 0.045 11 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.777 0.141 17 0 "[ . 1 . 2]"
1 28 THR 0.428 0.132 14 0 "[ . 1 . 2]"
1 29 TYR 0.056 0.033 20 0 "[ . 1 . 2]"
1 30 THR 0.468 0.130 7 0 "[ . 1 . 2]"
1 31 VAL 0.234 0.114 7 0 "[ . 1 . 2]"
1 32 THR 0.542 0.094 11 0 "[ . 1 . 2]"
1 33 THR 0.102 0.061 2 0 "[ . 1 . 2]"
1 34 GLU 0.079 0.079 16 0 "[ . 1 . 2]"
1 35 SER 0.655 0.251 5 0 "[ . 1 . 2]"
1 36 GLU 0.233 0.091 2 0 "[ . 1 . 2]"
1 37 LEU 0.577 0.137 16 0 "[ . 1 . 2]"
1 38 GLN 0.701 0.251 5 0 "[ . 1 . 2]"
1 39 LYS 0.048 0.024 18 0 "[ . 1 . 2]"
1 40 VAL 0.510 0.174 12 0 "[ . 1 . 2]"
1 41 LEU 0.759 0.137 16 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.485 0.174 12 0 "[ . 1 . 2]"
1 44 LEU 0.290 0.081 17 0 "[ . 1 . 2]"
1 45 LYS 0.384 0.075 5 0 "[ . 1 . 2]"
1 46 ASP 0.057 0.057 6 0 "[ . 1 . 2]"
1 47 TYR 2.600 0.391 20 0 "[ . 1 . 2]"
1 48 ILE 0.860 0.141 17 0 "[ . 1 . 2]"
1 49 LYS 1.157 0.169 11 0 "[ . 1 . 2]"
1 50 LYS 0.253 0.148 15 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.015 0.012 18 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.229 0.052 18 0 "[ . 1 . 2]"
1 58 THR 0.815 0.154 9 0 "[ . 1 . 2]"
1 59 SER 0.300 0.094 10 0 "[ . 1 . 2]"
1 60 ILE 0.906 0.101 2 0 "[ . 1 . 2]"
1 61 THR 1.401 0.259 2 0 "[ . 1 . 2]"
1 62 ALA 0.940 0.151 4 0 "[ . 1 . 2]"
1 63 ARG 3.112 0.391 2 0 "[ . 1 . 2]"
1 64 THR 2.798 0.391 2 0 "[ . 1 . 2]"
1 65 LYS 0.012 0.009 7 0 "[ . 1 . 2]"
1 66 LYS 1.494 0.298 19 0 "[ . 1 . 2]"
1 67 GLU 0.653 0.128 19 0 "[ . 1 . 2]"
1 68 ALA 0.338 0.059 20 0 "[ . 1 . 2]"
1 69 GLU 1.613 0.298 19 0 "[ . 1 . 2]"
1 70 LYS 1.194 0.297 18 0 "[ . 1 . 2]"
1 71 PHE 1.266 0.153 17 0 "[ . 1 . 2]"
1 72 ALA 0.698 0.297 18 0 "[ . 1 . 2]"
1 73 ALA 0.211 0.066 4 0 "[ . 1 . 2]"
1 74 ILE 0.962 0.145 14 0 "[ . 1 . 2]"
1 75 LEU 1.990 0.194 15 0 "[ . 1 . 2]"
1 76 ILE 0.739 0.205 9 0 "[ . 1 . 2]"
1 77 LYS 1.082 0.205 9 0 "[ . 1 . 2]"
1 78 VAL 0.592 0.139 13 0 "[ . 1 . 2]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.590 0.147 12 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 1.421 0.169 11 0 "[ . 1 . 2]"
1 83 GLY 0.099 0.099 13 0 "[ . 1 . 2]"
1 84 TYR 4.155 0.666 16 4 "[ - .* 1 *+ 2]"
1 86 ASP 0.127 0.094 11 0 "[ . 1 . 2]"
1 87 ILE 0.751 0.147 12 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.330 0.080 11 0 "[ . 1 . 2]"
1 90 THR 0.148 0.078 18 0 "[ . 1 . 2]"
1 91 TRP 0.102 0.063 12 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASP 0.404 0.137 5 0 "[ . 1 . 2]"
1 95 THR 0.404 0.081 18 0 "[ . 1 . 2]"
1 96 VAL 0.522 0.072 8 0 "[ . 1 . 2]"
1 97 THR 1.585 0.194 15 0 "[ . 1 . 2]"
1 98 VAL 0.183 0.060 9 0 "[ . 1 . 2]"
1 99 GLU 0.015 0.012 18 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLN 0.153 0.094 11 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASP 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 11 ASP HA 1 12 ILE H 2.770 . 3.190 2.256 2.077 2.478 . 0 0 "[ . 1 . 2]" 1
2 1 12 ILE HA 1 13 GLN H 3.290 . 3.780 2.230 2.187 2.268 . 0 0 "[ . 1 . 2]" 1
3 1 13 GLN H 1 31 VAL MG2 5.520 . 6.350 5.103 4.874 5.428 . 0 0 "[ . 1 . 2]" 1
4 1 13 GLN HA 1 14 VAL H 2.800 . 3.220 2.137 2.091 2.230 . 0 0 "[ . 1 . 2]" 1
5 1 13 GLN HG2 1 14 VAL H 4.140 . 4.760 3.396 2.693 3.969 . 0 0 "[ . 1 . 2]" 1
6 1 13 GLN HG3 1 14 VAL H 4.140 . 4.760 3.597 3.084 4.861 0.101 14 0 "[ . 1 . 2]" 1
7 1 14 VAL HA 1 15 GLN H 2.970 . 3.420 2.213 2.160 2.275 . 0 0 "[ . 1 . 2]" 1
8 1 15 GLN HA 1 16 ASN H 3.450 . 3.970 2.185 2.135 2.276 . 0 0 "[ . 1 . 2]" 1
9 1 15 GLN HB2 1 16 ASN H 5.040 . 5.800 4.338 3.888 4.507 . 0 0 "[ . 1 . 2]" 1
10 1 16 ASN H 1 17 ASN H 4.660 . 5.360 4.338 3.988 4.510 . 0 0 "[ . 1 . 2]" 1
11 1 16 ASN HA 1 17 ASN H 2.960 . 3.400 2.158 2.086 2.264 . 0 0 "[ . 1 . 2]" 1
12 1 16 ASN HB2 1 17 ASN H 4.650 . 5.350 4.191 3.916 4.480 . 0 0 "[ . 1 . 2]" 1
13 1 16 ASN HB3 1 17 ASN H 4.650 . 5.350 4.032 3.054 4.442 . 0 0 "[ . 1 . 2]" 1
14 1 17 ASN HA 1 18 ASN H 3.310 . 3.810 2.178 2.102 2.299 . 0 0 "[ . 1 . 2]" 1
15 1 17 ASN HB2 1 18 ASN H 4.940 . 5.680 4.343 4.016 4.494 . 0 0 "[ . 1 . 2]" 1
16 1 17 ASN HB3 1 18 ASN H 4.940 . 5.680 3.996 3.142 4.427 . 0 0 "[ . 1 . 2]" 1
17 1 18 ASN HA 1 19 THR H 3.560 . 4.090 2.217 2.124 2.369 . 0 0 "[ . 1 . 2]" 1
18 1 18 ASN HB2 1 19 THR H 5.980 . 6.880 3.835 2.693 4.516 . 0 0 "[ . 1 . 2]" 1
19 1 18 ASN HB3 1 19 THR H 5.980 . 6.880 3.733 2.776 4.361 . 0 0 "[ . 1 . 2]" 1
20 1 28 THR HA 1 29 TYR H 3.090 . 3.550 2.144 2.087 2.196 . 0 0 "[ . 1 . 2]" 1
21 1 28 THR MG 1 29 TYR H 3.540 . 4.070 2.861 2.651 3.022 . 0 0 "[ . 1 . 2]" 1
22 1 30 THR HA 1 31 VAL H 3.210 . 3.690 2.144 2.108 2.181 . 0 0 "[ . 1 . 2]" 1
23 1 31 VAL HA 1 32 THR H 3.390 . 3.900 2.330 2.154 2.550 . 0 0 "[ . 1 . 2]" 1
24 1 31 VAL HB 1 32 THR H 3.500 . 4.030 2.765 2.150 3.305 . 0 0 "[ . 1 . 2]" 1
25 1 31 VAL MG1 1 32 THR H 4.220 . 4.850 3.864 3.554 4.033 . 0 0 "[ . 1 . 2]" 1
26 1 31 VAL MG2 1 32 THR H 4.280 . 4.920 3.626 3.125 4.049 . 0 0 "[ . 1 . 2]" 1
27 1 32 THR H 1 33 THR H 3.250 . 3.740 2.163 1.767 2.524 0.033 15 0 "[ . 1 . 2]" 1
28 1 35 SER HB2 1 36 GLU H 4.410 . 5.070 3.110 2.592 3.876 . 0 0 "[ . 1 . 2]" 1
29 1 36 GLU HB2 1 37 LEU H 3.610 . 4.150 2.727 2.345 3.143 . 0 0 "[ . 1 . 2]" 1
30 1 36 GLU HB3 1 37 LEU H 3.830 . 4.400 3.788 3.513 4.062 . 0 0 "[ . 1 . 2]" 1
31 1 36 GLU HG3 1 37 LEU H 5.340 . 6.140 4.845 4.053 5.399 . 0 0 "[ . 1 . 2]" 1
32 1 37 LEU HG 1 38 GLN H 4.980 . 5.730 3.778 3.406 4.827 . 0 0 "[ . 1 . 2]" 1
33 1 37 LEU MD1 1 38 GLN H 4.880 . 5.610 4.395 3.121 4.851 . 0 0 "[ . 1 . 2]" 1
34 1 37 LEU MD2 1 38 GLN H 4.880 . 5.610 4.180 3.095 4.743 . 0 0 "[ . 1 . 2]" 1
35 1 38 GLN HG2 1 39 LYS H 5.070 . 5.830 4.578 3.282 5.297 . 0 0 "[ . 1 . 2]" 1
36 1 39 LYS HG2 1 40 VAL H 5.050 . 5.810 3.997 2.111 5.160 . 0 0 "[ . 1 . 2]" 1
37 1 39 LYS HG3 1 40 VAL H 5.050 . 5.810 3.821 2.284 5.013 . 0 0 "[ . 1 . 2]" 1
38 1 39 LYS HE2 1 40 VAL H 6.000 . 6.900 5.473 4.730 6.492 . 0 0 "[ . 1 . 2]" 1
39 1 39 LYS HE3 1 40 VAL H 6.000 . 6.900 5.588 4.376 6.602 . 0 0 "[ . 1 . 2]" 1
40 1 40 VAL HB 1 41 LEU H 4.030 . 4.630 3.309 2.404 4.148 . 0 0 "[ . 1 . 2]" 1
41 1 40 VAL MG1 1 41 LEU H 4.700 . 5.400 3.284 2.346 4.117 . 0 0 "[ . 1 . 2]" 1
42 1 41 LEU H 1 41 LEU MD1 4.150 . 4.770 3.777 3.648 3.889 . 0 0 "[ . 1 . 2]" 1
43 1 41 LEU HB2 1 42 ASN H 3.950 . 4.540 2.911 2.692 3.110 . 0 0 "[ . 1 . 2]" 1
44 1 41 LEU HG 1 42 ASN H 5.350 . 6.150 4.614 4.456 4.752 . 0 0 "[ . 1 . 2]" 1
45 1 41 LEU MD1 1 42 ASN H 5.130 . 5.900 4.836 4.670 4.993 . 0 0 "[ . 1 . 2]" 1
46 1 42 ASN H 1 43 GLU H 3.500 . 4.030 2.609 2.473 2.812 . 0 0 "[ . 1 . 2]" 1
47 1 42 ASN HB2 1 43 GLU H 3.980 . 4.580 3.377 2.375 4.021 . 0 0 "[ . 1 . 2]" 1
48 1 42 ASN HB3 1 43 GLU H 3.980 . 4.580 3.007 2.356 3.826 . 0 0 "[ . 1 . 2]" 1
49 1 44 LEU H 1 45 LYS H 3.920 . 4.510 2.631 2.491 2.715 . 0 0 "[ . 1 . 2]" 1
50 1 44 LEU QB 1 45 LYS H 3.680 . 4.230 2.637 2.379 3.483 . 0 0 "[ . 1 . 2]" 1
51 1 44 LEU HG 1 45 LYS H 4.660 . 5.360 4.304 3.754 4.865 . 0 0 "[ . 1 . 2]" 1
52 1 45 LYS HB2 1 46 ASP H 4.030 . 4.630 3.863 3.774 3.982 . 0 0 "[ . 1 . 2]" 1
53 1 46 ASP H 1 47 TYR H 3.470 . 3.990 2.643 2.496 2.783 . 0 0 "[ . 1 . 2]" 1
54 1 46 ASP HB2 1 47 TYR H 3.980 . 4.580 3.845 2.989 4.112 . 0 0 "[ . 1 . 2]" 1
55 1 47 TYR HB2 1 48 ILE H 3.990 . 4.590 2.694 2.415 2.939 . 0 0 "[ . 1 . 2]" 1
56 1 47 TYR HB3 1 48 ILE H 4.450 . 5.120 3.542 3.202 3.862 . 0 0 "[ . 1 . 2]" 1
57 1 48 ILE H 1 49 LYS H 3.680 . 4.230 2.593 2.413 2.717 . 0 0 "[ . 1 . 2]" 1
58 1 48 ILE MG 1 49 LYS H 3.970 . 4.570 3.503 3.208 3.809 . 0 0 "[ . 1 . 2]" 1
59 1 48 ILE HG13 1 49 LYS H 4.270 . 4.910 4.262 4.111 4.647 . 0 0 "[ . 1 . 2]" 1
60 1 49 LYS H 1 50 LYS H 3.430 . 3.940 2.630 2.471 2.847 . 0 0 "[ . 1 . 2]" 1
61 1 49 LYS HB3 1 50 LYS H 3.120 . 3.590 2.698 2.266 3.096 . 0 0 "[ . 1 . 2]" 1
62 1 50 LYS HB2 1 51 GLN H 3.940 . 4.530 3.881 3.561 4.239 . 0 0 "[ . 1 . 2]" 1
63 1 50 LYS HB3 1 51 GLN H 3.940 . 4.530 2.771 2.421 4.087 . 0 0 "[ . 1 . 2]" 1
64 1 57 ARG HA 1 58 THR H 3.420 . 3.930 2.223 2.125 2.277 . 0 0 "[ . 1 . 2]" 1
65 1 58 THR H 1 59 SER H 4.860 . 5.590 4.400 4.171 4.549 . 0 0 "[ . 1 . 2]" 1
66 1 59 SER H 1 60 ILE H 5.190 . 5.970 4.238 4.095 4.451 . 0 0 "[ . 1 . 2]" 1
67 1 58 THR HA 1 59 SER H 2.710 . 3.120 2.171 2.115 2.280 . 0 0 "[ . 1 . 2]" 1
68 1 58 THR HB 1 59 SER H 4.180 . 4.810 4.084 3.835 4.352 . 0 0 "[ . 1 . 2]" 1
69 1 58 THR MG 1 59 SER H 2.980 . 3.430 2.670 2.328 3.221 . 0 0 "[ . 1 . 2]" 1
70 1 59 SER HA 1 60 ILE H 3.090 . 3.550 2.165 2.129 2.199 . 0 0 "[ . 1 . 2]" 1
71 1 61 THR HA 1 62 ALA H 2.840 . 3.270 2.127 2.083 2.200 . 0 0 "[ . 1 . 2]" 1
72 1 61 THR MG 1 62 ALA H 3.090 . 3.550 3.017 2.630 3.258 . 0 0 "[ . 1 . 2]" 1
73 1 62 ALA HA 1 63 ARG H 3.110 . 3.580 2.274 2.137 2.898 . 0 0 "[ . 1 . 2]" 1
74 1 62 ALA MB 1 63 ARG H 3.780 . 4.350 3.540 3.285 3.689 . 0 0 "[ . 1 . 2]" 1
75 1 63 ARG H 1 64 THR H 3.200 . 3.680 2.427 2.024 3.066 . 0 0 "[ . 1 . 2]" 1
76 1 62 ALA HA 1 64 THR H 3.910 . 4.500 3.884 3.459 4.532 0.032 11 0 "[ . 1 . 2]" 1
77 1 63 ARG HB3 1 64 THR H 4.380 . 5.040 3.990 3.257 4.334 . 0 0 "[ . 1 . 2]" 1
78 1 63 ARG HB2 1 64 THR H 3.270 . 3.760 3.397 1.995 4.075 0.315 10 0 "[ . 1 . 2]" 1
79 1 63 ARG HG2 1 64 THR H 4.010 . 4.610 2.970 2.046 4.766 0.156 7 0 "[ . 1 . 2]" 1
80 1 63 ARG HG3 1 64 THR H 4.010 . 4.610 3.548 2.234 4.269 . 0 0 "[ . 1 . 2]" 1
81 1 66 LYS HB2 1 67 GLU H 3.600 . 4.140 2.776 2.317 3.945 . 0 0 "[ . 1 . 2]" 1
82 1 67 GLU H 1 70 LYS HD3 5.870 . 6.750 4.885 3.851 6.833 0.083 18 0 "[ . 1 . 2]" 1
83 1 67 GLU H 1 70 LYS HG2 6.000 . 6.900 4.507 4.211 6.883 . 0 0 "[ . 1 . 2]" 1
84 1 66 LYS HB3 1 67 GLU H 3.600 . 4.140 3.333 2.322 3.799 . 0 0 "[ . 1 . 2]" 1
85 1 67 GLU H 1 68 ALA H 3.010 . 3.460 2.628 2.484 2.722 . 0 0 "[ . 1 . 2]" 1
86 1 67 GLU HB2 1 68 ALA H 3.030 . 3.480 2.765 2.478 3.206 . 0 0 "[ . 1 . 2]" 1
87 1 67 GLU HG2 1 68 ALA H 5.300 . 6.100 5.130 4.924 5.486 . 0 0 "[ . 1 . 2]" 1
88 1 68 ALA MB 1 69 GLU H 4.060 . 4.670 2.711 2.383 3.001 . 0 0 "[ . 1 . 2]" 1
89 1 69 GLU H 1 70 LYS H 3.120 . 3.590 2.609 2.470 2.801 . 0 0 "[ . 1 . 2]" 1
90 1 70 LYS HB3 1 71 PHE H 4.000 . 4.600 3.941 2.189 4.101 . 0 0 "[ . 1 . 2]" 1
91 1 70 LYS HG3 1 71 PHE H 4.290 . 4.930 2.629 2.187 4.330 . 0 0 "[ . 1 . 2]" 1
92 1 70 LYS HG2 1 71 PHE H 4.380 . 5.040 2.619 2.346 3.134 . 0 0 "[ . 1 . 2]" 1
93 1 70 LYS HD2 1 71 PHE H 6.000 . 6.900 4.858 3.974 5.074 . 0 0 "[ . 1 . 2]" 1
94 1 71 PHE H 1 73 ALA MB 6.000 . 6.900 4.792 4.564 5.316 . 0 0 "[ . 1 . 2]" 1
95 1 70 LYS HD3 1 71 PHE H 4.650 . 5.350 4.633 4.404 5.047 . 0 0 "[ . 1 . 2]" 1
96 1 71 PHE H 1 72 ALA H 3.170 . 3.650 2.534 2.402 2.636 . 0 0 "[ . 1 . 2]" 1
97 1 71 PHE HB2 1 72 ALA H 3.410 . 3.920 2.775 2.608 3.172 . 0 0 "[ . 1 . 2]" 1
98 1 72 ALA H 1 73 ALA H 3.250 . 3.740 2.706 2.628 2.800 . 0 0 "[ . 1 . 2]" 1
99 1 72 ALA MB 1 73 ALA H 2.930 . 3.370 2.499 2.240 2.740 . 0 0 "[ . 1 . 2]" 1
100 1 73 ALA MB 1 74 ILE H 3.120 . 3.590 2.438 2.326 2.569 . 0 0 "[ . 1 . 2]" 1
101 1 74 ILE HB 1 75 LEU H 3.490 . 4.010 2.689 2.484 2.867 . 0 0 "[ . 1 . 2]" 1
102 1 74 ILE MG 1 75 LEU H 3.920 . 4.510 3.605 3.408 3.764 . 0 0 "[ . 1 . 2]" 1
103 1 75 LEU HB3 1 76 ILE H 4.490 . 5.160 3.156 2.504 3.897 . 0 0 "[ . 1 . 2]" 1
104 1 76 ILE H 1 87 ILE MG 5.460 . 6.280 4.659 4.219 5.341 . 0 0 "[ . 1 . 2]" 1
105 1 76 ILE H 1 77 LYS H 3.760 . 4.320 2.605 2.518 2.683 . 0 0 "[ . 1 . 2]" 1
106 1 76 ILE MG 1 77 LYS H 3.720 . 4.280 2.988 2.786 3.269 . 0 0 "[ . 1 . 2]" 1
107 1 76 ILE HB 1 77 LYS H 3.420 . 3.930 2.968 2.812 3.115 . 0 0 "[ . 1 . 2]" 1
108 1 77 LYS HB2 1 78 VAL H 4.020 . 4.620 2.812 2.551 3.835 . 0 0 "[ . 1 . 2]" 1
109 1 78 VAL H 1 80 ALA MB 6.000 . 6.900 4.632 4.474 4.868 . 0 0 "[ . 1 . 2]" 1
110 1 77 LYS HG3 1 78 VAL H 5.210 . 5.990 4.749 3.966 5.211 . 0 0 "[ . 1 . 2]" 1
111 1 78 VAL H 1 79 TYR H 3.410 . 3.920 2.794 2.684 2.905 . 0 0 "[ . 1 . 2]" 1
112 1 78 VAL HB 1 79 TYR H 3.500 . 4.030 2.499 2.314 2.677 . 0 0 "[ . 1 . 2]" 1
113 1 78 VAL QG 1 79 TYR H 4.040 . 4.070 3.061 2.908 3.249 . 0 0 "[ . 1 . 2]" 1
114 1 79 TYR H 1 80 ALA H 3.370 . 3.880 2.585 2.487 2.686 . 0 0 "[ . 1 . 2]" 1
115 1 79 TYR HB2 1 80 ALA H 4.160 . 4.780 3.204 2.954 3.550 . 0 0 "[ . 1 . 2]" 1
116 1 79 TYR HB3 1 80 ALA H 4.160 . 4.780 3.756 3.454 3.961 . 0 0 "[ . 1 . 2]" 1
117 1 80 ALA MB 1 81 GLU H 3.140 . 3.610 2.705 2.582 2.919 . 0 0 "[ . 1 . 2]" 1
118 1 81 GLU HG2 1 82 LEU H 5.540 . 6.370 4.916 4.260 5.226 . 0 0 "[ . 1 . 2]" 1
119 1 82 LEU HB2 1 83 GLY H 4.870 . 5.600 3.071 2.866 3.442 . 0 0 "[ . 1 . 2]" 1
120 1 82 LEU HG 1 83 GLY H 5.840 . 6.720 4.503 4.317 4.646 . 0 0 "[ . 1 . 2]" 1
121 1 83 GLY H 1 87 ILE MD 4.710 . 5.420 4.335 3.666 5.519 0.099 13 0 "[ . 1 . 2]" 1
122 1 87 ILE HA 1 88 ASN H 3.020 . 3.470 2.257 2.186 2.364 . 0 0 "[ . 1 . 2]" 1
123 1 87 ILE HB 1 88 ASN H 4.690 . 5.390 4.073 3.820 4.383 . 0 0 "[ . 1 . 2]" 1
124 1 87 ILE MG 1 88 ASN H 3.550 . 4.080 2.552 2.201 3.217 . 0 0 "[ . 1 . 2]" 1
125 1 87 ILE MD 1 88 ASN H 4.130 . 4.750 3.855 3.503 4.194 . 0 0 "[ . 1 . 2]" 1
126 1 88 ASN H 1 89 VAL H 4.680 . 5.380 4.464 4.278 4.592 . 0 0 "[ . 1 . 2]" 1
127 1 88 ASN HA 1 89 VAL H 3.010 . 3.460 2.196 2.136 2.276 . 0 0 "[ . 1 . 2]" 1
128 1 89 VAL HA 1 90 THR H 2.810 . 3.230 2.191 2.124 2.286 . 0 0 "[ . 1 . 2]" 1
129 1 89 VAL HB 1 90 THR H 4.320 . 4.970 4.186 3.815 4.382 . 0 0 "[ . 1 . 2]" 1
130 1 89 VAL MG1 1 90 THR H 4.270 . 4.910 3.547 2.338 4.328 . 0 0 "[ . 1 . 2]" 1
131 1 89 VAL MG2 1 90 THR H 4.270 . 4.910 3.424 2.258 4.370 . 0 0 "[ . 1 . 2]" 1
132 1 91 TRP HB2 1 92 ASP H 5.990 . 6.890 4.400 4.013 4.518 . 0 0 "[ . 1 . 2]" 1
133 1 96 VAL H 1 97 THR H 4.860 . 5.590 4.341 4.156 4.570 . 0 0 "[ . 1 . 2]" 1
134 1 96 VAL MG1 1 97 THR H 4.220 . 4.850 3.881 2.937 4.302 . 0 0 "[ . 1 . 2]" 1
135 1 96 VAL MG2 1 97 THR H 4.220 . 4.850 3.679 2.598 4.326 . 0 0 "[ . 1 . 2]" 1
136 1 58 THR H 1 98 VAL H 3.720 . 4.280 3.551 3.188 4.180 . 0 0 "[ . 1 . 2]" 1
137 1 97 THR HA 1 98 VAL H 2.900 . 3.340 2.175 2.132 2.242 . 0 0 "[ . 1 . 2]" 1
138 1 97 THR MG 1 98 VAL H 3.070 . 3.530 2.982 2.386 3.393 . 0 0 "[ . 1 . 2]" 1
139 1 102 LEU MD2 1 103 GLU H 6.000 . 6.900 4.323 2.841 5.105 . 0 0 "[ . 1 . 2]" 1
140 1 103 GLU HB2 1 104 GLY H 4.700 . 5.400 3.952 2.639 4.610 . 0 0 "[ . 1 . 2]" 1
141 1 103 GLU HB3 1 104 GLY H 4.700 . 5.400 3.826 2.263 4.541 . 0 0 "[ . 1 . 2]" 1
142 1 103 GLU HG2 1 104 GLY H 6.000 . 6.900 3.856 2.348 5.759 . 0 0 "[ . 1 . 2]" 1
143 1 103 GLU HG3 1 104 GLY H 6.000 . 6.900 3.720 2.497 5.276 . 0 0 "[ . 1 . 2]" 1
144 1 105 VAL HA 1 106 ASP H 2.660 . 3.060 2.265 2.150 2.467 . 0 0 "[ . 1 . 2]" 1
145 1 105 VAL HB 1 106 ASP H 4.290 . 4.930 3.716 2.479 4.542 . 0 0 "[ . 1 . 2]" 1
146 1 105 VAL MG1 1 106 ASP H 4.190 . 4.820 3.742 3.201 4.176 . 0 0 "[ . 1 . 2]" 1
147 1 105 VAL MG2 1 106 ASP H 4.190 . 4.820 3.785 2.114 4.396 . 0 0 "[ . 1 . 2]" 1
148 1 42 ASN HB2 1 42 ASN HD22 3.950 . 4.540 3.677 3.483 4.064 . 0 0 "[ . 1 . 2]" 1
149 1 42 ASN HB3 1 42 ASN HD22 3.950 . 4.540 3.682 3.497 4.053 . 0 0 "[ . 1 . 2]" 1
150 1 51 GLN H 1 51 GLN HE21 6.000 . 6.900 4.266 2.662 5.539 . 0 0 "[ . 1 . 2]" 1
151 1 51 GLN H 1 51 GLN HE22 6.000 . 6.900 5.307 3.138 6.569 . 0 0 "[ . 1 . 2]" 1
152 1 51 GLN HA 1 51 GLN HE21 6.000 . 6.900 4.334 2.529 5.930 . 0 0 "[ . 1 . 2]" 1
153 1 51 GLN HA 1 51 GLN HE22 6.000 . 6.900 5.076 3.257 6.633 . 0 0 "[ . 1 . 2]" 1
154 1 12 ILE H 1 12 ILE HB 3.150 . 3.620 2.565 2.478 2.720 . 0 0 "[ . 1 . 2]" 1
155 1 12 ILE H 1 12 ILE MG 3.980 . 4.580 3.804 3.783 3.828 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE H 1 12 ILE HG13 3.410 . 3.920 2.147 1.835 2.461 . 0 0 "[ . 1 . 2]" 1
157 1 12 ILE H 1 12 ILE HG12 4.160 . 4.780 3.472 3.189 3.765 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE H 1 12 ILE MD 3.480 . 4.000 3.532 3.405 3.667 . 0 0 "[ . 1 . 2]" 1
159 1 13 GLN H 1 13 GLN HB2 4.050 . 4.660 2.771 2.284 2.920 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLN H 1 13 GLN HB3 4.050 . 4.660 2.551 2.408 3.564 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLN H 1 13 GLN HG2 4.980 . 5.730 4.425 4.016 4.505 . 0 0 "[ . 1 . 2]" 1
162 1 14 VAL H 1 14 VAL HB 3.540 . 4.070 2.662 2.498 2.815 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLN H 1 15 GLN HB3 3.800 . 4.370 3.049 2.555 3.824 . 0 0 "[ . 1 . 2]" 1
164 1 17 ASN H 1 17 ASN HB2 3.690 . 4.240 2.841 2.486 3.257 . 0 0 "[ . 1 . 2]" 1
165 1 17 ASN H 1 17 ASN HB3 3.690 . 4.240 3.057 2.449 3.845 . 0 0 "[ . 1 . 2]" 1
166 1 19 THR H 1 19 THR HB 4.050 . 4.660 3.169 2.559 3.812 . 0 0 "[ . 1 . 2]" 1
167 1 29 TYR H 1 29 TYR HB3 4.110 . 4.730 3.826 3.698 3.903 . 0 0 "[ . 1 . 2]" 1
168 1 31 VAL H 1 31 VAL MG2 3.350 . 3.850 2.168 2.073 2.354 . 0 0 "[ . 1 . 2]" 1
169 1 32 THR H 1 32 THR MG 3.660 . 4.210 2.127 1.965 2.393 . 0 0 "[ . 1 . 2]" 1
170 1 32 THR MG 1 33 THR H 3.220 . 3.700 2.875 2.360 3.392 . 0 0 "[ . 1 . 2]" 1
171 1 36 GLU H 1 36 GLU HB2 3.150 . 3.620 2.553 2.228 2.815 . 0 0 "[ . 1 . 2]" 1
172 1 36 GLU H 1 36 GLU HB3 3.600 . 4.140 3.603 3.523 3.633 . 0 0 "[ . 1 . 2]" 1
173 1 36 GLU H 1 36 GLU HG2 3.920 . 4.510 2.589 1.891 3.978 . 0 0 "[ . 1 . 2]" 1
174 1 36 GLU H 1 36 GLU HG3 3.920 . 4.510 3.328 2.108 4.145 . 0 0 "[ . 1 . 2]" 1
175 1 37 LEU H 1 37 LEU HB2 3.610 . 4.150 2.560 2.460 2.702 . 0 0 "[ . 1 . 2]" 1
176 1 37 LEU H 1 37 LEU HB3 3.610 . 4.150 2.508 2.307 3.644 . 0 0 "[ . 1 . 2]" 1
177 1 37 LEU H 1 37 LEU MD1 4.540 . 5.220 4.187 3.740 4.316 . 0 0 "[ . 1 . 2]" 1
178 1 38 GLN H 1 38 GLN HG2 4.480 . 5.150 3.478 2.314 4.484 . 0 0 "[ . 1 . 2]" 1
179 1 38 GLN H 1 38 GLN HG3 4.480 . 5.150 3.211 2.042 4.489 . 0 0 "[ . 1 . 2]" 1
180 1 39 LYS H 1 39 LYS HG2 3.960 . 4.550 3.009 2.066 3.769 . 0 0 "[ . 1 . 2]" 1
181 1 39 LYS H 1 39 LYS HG3 3.960 . 4.550 3.008 2.262 4.288 . 0 0 "[ . 1 . 2]" 1
182 1 40 VAL H 1 40 VAL HB 3.670 . 4.220 2.766 2.274 3.750 . 0 0 "[ . 1 . 2]" 1
183 1 40 VAL H 1 40 VAL MG1 3.830 . 4.400 3.127 2.231 3.822 . 0 0 "[ . 1 . 2]" 1
184 1 40 VAL H 1 40 VAL MG2 3.830 . 4.400 2.647 2.185 3.860 . 0 0 "[ . 1 . 2]" 1
185 1 41 LEU H 1 41 LEU HB2 3.020 . 3.470 2.440 2.386 2.488 . 0 0 "[ . 1 . 2]" 1
186 1 41 LEU H 1 41 LEU HB3 3.640 . 4.190 3.618 3.597 3.644 . 0 0 "[ . 1 . 2]" 1
187 1 41 LEU H 1 41 LEU HG 2.980 . 3.430 2.535 2.307 2.791 . 0 0 "[ . 1 . 2]" 1
188 1 42 ASN H 1 42 ASN HB2 3.610 . 4.150 2.515 2.380 2.662 . 0 0 "[ . 1 . 2]" 1
189 1 43 GLU H 1 43 GLU HB2 3.410 . 3.920 2.475 2.269 2.616 . 0 0 "[ . 1 . 2]" 1
190 1 43 GLU H 1 43 GLU HB3 3.410 . 3.920 3.008 2.370 3.649 . 0 0 "[ . 1 . 2]" 1
191 1 43 GLU H 1 43 GLU HG2 5.300 . 6.100 4.079 2.273 4.661 . 0 0 "[ . 1 . 2]" 1
192 1 43 GLU H 1 43 GLU HG3 5.300 . 6.100 3.876 2.137 4.601 . 0 0 "[ . 1 . 2]" 1
193 1 45 LYS H 1 45 LYS HB2 3.320 . 3.820 2.471 2.402 2.557 . 0 0 "[ . 1 . 2]" 1
194 1 45 LYS H 1 45 LYS HB3 3.220 . 3.700 2.443 2.356 2.576 . 0 0 "[ . 1 . 2]" 1
195 1 45 LYS H 1 45 LYS HG3 4.730 . 5.440 4.465 4.429 4.522 . 0 0 "[ . 1 . 2]" 1
196 1 47 TYR H 1 47 TYR HB2 3.230 . 3.710 2.412 2.291 2.571 . 0 0 "[ . 1 . 2]" 1
197 1 47 TYR H 1 47 TYR QD 4.400 . 5.060 2.737 1.854 3.459 . 0 0 "[ . 1 . 2]" 1
198 1 48 ILE H 1 48 ILE HB 3.720 . 4.280 2.546 2.366 2.687 . 0 0 "[ . 1 . 2]" 1
199 1 48 ILE H 1 48 ILE HG13 3.740 . 4.300 2.222 2.003 2.469 . 0 0 "[ . 1 . 2]" 1
200 1 49 LYS H 1 49 LYS HB2 3.020 . 3.470 2.469 2.385 2.563 . 0 0 "[ . 1 . 2]" 1
201 1 49 LYS H 1 49 LYS HB3 3.310 . 3.810 2.513 2.397 2.625 . 0 0 "[ . 1 . 2]" 1
202 1 49 LYS H 1 49 LYS HG2 4.920 . 5.660 4.498 4.437 4.571 . 0 0 "[ . 1 . 2]" 1
203 1 49 LYS H 1 49 LYS HG3 5.220 . 6.000 4.469 4.417 4.538 . 0 0 "[ . 1 . 2]" 1
204 1 48 ILE HB 1 49 LYS H 3.370 . 3.880 2.664 2.355 3.086 . 0 0 "[ . 1 . 2]" 1
205 1 50 LYS H 1 50 LYS HB2 3.320 . 3.820 2.505 2.228 2.682 . 0 0 "[ . 1 . 2]" 1
206 1 50 LYS H 1 50 LYS HB3 3.320 . 3.820 2.581 2.403 3.567 . 0 0 "[ . 1 . 2]" 1
207 1 48 ILE HB 1 50 LYS H 5.800 . 6.670 5.041 4.810 5.437 . 0 0 "[ . 1 . 2]" 1
208 1 51 GLN H 1 51 GLN HB2 3.930 . 4.520 3.026 2.275 4.039 . 0 0 "[ . 1 . 2]" 1
209 1 51 GLN H 1 51 GLN HG3 4.310 . 4.960 3.544 1.948 4.657 . 0 0 "[ . 1 . 2]" 1
210 1 51 GLN H 1 51 GLN HB3 3.930 . 4.520 3.433 2.568 4.159 . 0 0 "[ . 1 . 2]" 1
211 1 58 THR H 1 58 THR HB 4.050 . 4.660 2.694 2.568 2.857 . 0 0 "[ . 1 . 2]" 1
212 1 59 SER H 1 59 SER HB2 4.010 . 4.610 3.118 2.504 3.886 . 0 0 "[ . 1 . 2]" 1
213 1 59 SER H 1 59 SER HB3 4.010 . 4.610 3.424 2.604 3.838 . 0 0 "[ . 1 . 2]" 1
214 1 60 ILE H 1 60 ILE HB 3.710 . 4.270 2.581 2.501 2.644 . 0 0 "[ . 1 . 2]" 1
215 1 60 ILE H 1 60 ILE HG13 4.120 . 4.740 2.892 2.594 3.102 . 0 0 "[ . 1 . 2]" 1
216 1 60 ILE H 1 60 ILE HG12 4.400 . 5.060 3.975 3.799 4.120 . 0 0 "[ . 1 . 2]" 1
217 1 60 ILE H 1 60 ILE MG 4.380 . 5.040 3.857 3.817 3.893 . 0 0 "[ . 1 . 2]" 1
218 1 62 ALA H 1 62 ALA MB 3.280 . 3.770 2.640 2.424 2.844 . 0 0 "[ . 1 . 2]" 1
219 1 63 ARG H 1 63 ARG HB3 3.970 . 4.570 3.147 2.566 3.659 . 0 0 "[ . 1 . 2]" 1
220 1 63 ARG H 1 63 ARG HB2 3.370 . 3.880 3.461 2.595 3.786 . 0 0 "[ . 1 . 2]" 1
221 1 63 ARG H 1 63 ARG HG2 3.930 . 4.520 2.572 1.866 3.495 . 0 0 "[ . 1 . 2]" 1
222 1 63 ARG H 1 63 ARG HG3 3.930 . 4.520 3.260 2.000 4.077 . 0 0 "[ . 1 . 2]" 1
223 1 63 ARG H 1 63 ARG HD2 4.830 . 5.550 3.626 1.746 4.888 0.054 2 0 "[ . 1 . 2]" 1
224 1 63 ARG H 1 63 ARG HD3 4.830 . 5.550 3.504 1.909 4.647 . 0 0 "[ . 1 . 2]" 1
225 1 64 THR H 1 64 THR HB 4.010 . 4.610 3.628 2.610 3.840 . 0 0 "[ . 1 . 2]" 1
226 1 64 THR H 1 64 THR MG 3.160 . 3.630 2.592 2.268 3.815 0.185 2 0 "[ . 1 . 2]" 1
227 1 65 LYS HB2 1 66 LYS H 3.960 . 4.550 3.575 2.627 4.070 . 0 0 "[ . 1 . 2]" 1
228 1 66 LYS H 1 66 LYS HB3 4.020 . 4.620 3.397 2.401 3.683 . 0 0 "[ . 1 . 2]" 1
229 1 67 GLU H 1 67 GLU HB2 3.010 . 3.460 2.416 2.286 2.551 . 0 0 "[ . 1 . 2]" 1
230 1 67 GLU H 1 67 GLU HG2 4.010 . 4.610 3.703 3.372 4.037 . 0 0 "[ . 1 . 2]" 1
231 1 67 GLU H 1 67 GLU HG3 4.010 . 4.610 3.046 2.221 4.069 . 0 0 "[ . 1 . 2]" 1
232 1 68 ALA H 1 68 ALA MB 3.230 . 3.710 2.239 2.215 2.260 . 0 0 "[ . 1 . 2]" 1
233 1 69 GLU H 1 69 GLU HB2 3.590 . 4.130 2.499 2.314 3.657 . 0 0 "[ . 1 . 2]" 1
234 1 69 GLU H 1 69 GLU HB3 3.590 . 4.130 3.494 2.395 3.651 . 0 0 "[ . 1 . 2]" 1
235 1 70 LYS H 1 70 LYS HB3 2.910 . 3.350 2.625 2.285 2.723 . 0 0 "[ . 1 . 2]" 1
236 1 70 LYS H 1 70 LYS HG3 4.060 . 4.670 3.454 3.133 4.433 . 0 0 "[ . 1 . 2]" 1
237 1 70 LYS H 1 70 LYS HG2 3.810 . 4.380 2.249 1.939 4.321 . 0 0 "[ . 1 . 2]" 1
238 1 70 LYS H 1 70 LYS HD2 4.430 . 5.090 4.018 3.678 4.814 . 0 0 "[ . 1 . 2]" 1
239 1 70 LYS H 1 70 LYS HD3 4.830 . 5.550 4.530 4.060 5.773 0.223 18 0 "[ . 1 . 2]" 1
240 1 70 LYS H 1 72 ALA MB 5.320 . 6.120 4.734 4.434 5.003 . 0 0 "[ . 1 . 2]" 1
241 1 71 PHE H 1 71 PHE HB2 3.070 . 3.530 2.528 2.472 2.610 . 0 0 "[ . 1 . 2]" 1
242 1 71 PHE H 1 71 PHE HD1 3.830 . 4.400 3.286 2.762 3.883 . 0 0 "[ . 1 . 2]" 1
243 1 72 ALA H 1 72 ALA MB 2.760 . 3.170 2.263 2.225 2.288 . 0 0 "[ . 1 . 2]" 1
244 1 73 ALA H 1 73 ALA MB 2.570 . 2.960 2.244 2.225 2.275 . 0 0 "[ . 1 . 2]" 1
245 1 74 ILE H 1 74 ILE HB 2.910 . 3.350 2.616 2.501 2.749 . 0 0 "[ . 1 . 2]" 1
246 1 74 ILE H 1 74 ILE HG12 3.730 . 4.290 3.336 3.210 3.481 . 0 0 "[ . 1 . 2]" 1
247 1 74 ILE H 1 74 ILE HG13 3.730 . 4.290 2.051 1.926 2.180 . 0 0 "[ . 1 . 2]" 1
248 1 74 ILE H 1 74 ILE MD 3.340 . 3.840 3.547 3.450 3.619 . 0 0 "[ . 1 . 2]" 1
249 1 75 LEU H 1 75 LEU HB3 3.520 . 4.050 2.993 2.535 3.634 . 0 0 "[ . 1 . 2]" 1
250 1 75 LEU H 1 75 LEU HB2 3.790 . 4.360 2.397 2.125 2.541 . 0 0 "[ . 1 . 2]" 1
251 1 75 LEU H 1 76 ILE MD 3.920 . 4.510 4.081 3.975 4.253 . 0 0 "[ . 1 . 2]" 1
252 1 76 ILE H 1 76 ILE HG13 4.310 . 4.960 4.106 4.000 4.217 . 0 0 "[ . 1 . 2]" 1
253 1 76 ILE H 1 76 ILE HB 3.270 . 3.760 2.261 2.209 2.344 . 0 0 "[ . 1 . 2]" 1
254 1 76 ILE H 1 76 ILE MD 3.950 . 4.540 2.504 2.381 2.674 . 0 0 "[ . 1 . 2]" 1
255 1 77 LYS H 1 77 LYS HB2 3.120 . 3.590 2.425 2.198 2.592 . 0 0 "[ . 1 . 2]" 1
256 1 77 LYS H 1 77 LYS HB3 3.660 . 4.210 3.557 2.602 3.653 . 0 0 "[ . 1 . 2]" 1
257 1 77 LYS H 1 77 LYS HG2 4.390 . 5.050 3.720 2.348 4.656 . 0 0 "[ . 1 . 2]" 1
258 1 77 LYS H 1 77 LYS HG3 4.390 . 5.050 3.244 2.114 4.517 . 0 0 "[ . 1 . 2]" 1
259 1 77 LYS H 1 77 LYS HD2 5.530 . 6.360 3.844 2.438 4.862 . 0 0 "[ . 1 . 2]" 1
260 1 77 LYS H 1 77 LYS HD3 5.530 . 6.360 3.988 2.558 5.925 . 0 0 "[ . 1 . 2]" 1
261 1 78 VAL H 1 78 VAL QG . . 3.370 2.174 2.028 2.337 . 0 0 "[ . 1 . 2]" 1
262 1 79 TYR H 1 79 TYR HB2 3.630 . 4.170 2.261 2.201 2.381 . 0 0 "[ . 1 . 2]" 1
263 1 79 TYR H 1 79 TYR HB3 3.630 . 4.170 3.541 3.429 3.601 . 0 0 "[ . 1 . 2]" 1
264 1 79 TYR H 1 79 TYR QD 3.950 . 4.540 2.418 2.012 3.036 . 0 0 "[ . 1 . 2]" 1
265 1 80 ALA H 1 80 ALA MB 2.750 . 3.160 2.276 2.242 2.298 . 0 0 "[ . 1 . 2]" 1
266 1 81 GLU H 1 81 GLU HB2 3.330 . 3.830 2.469 2.351 2.679 . 0 0 "[ . 1 . 2]" 1
267 1 81 GLU H 1 81 GLU HG2 3.880 . 4.460 3.206 2.104 3.718 . 0 0 "[ . 1 . 2]" 1
268 1 81 GLU H 1 81 GLU HG3 3.880 . 4.460 2.714 2.263 3.692 . 0 0 "[ . 1 . 2]" 1
269 1 82 LEU H 1 82 LEU HB2 3.730 . 4.290 2.485 2.381 2.576 . 0 0 "[ . 1 . 2]" 1
270 1 82 LEU H 1 82 LEU HG 3.400 . 3.910 2.484 2.277 2.684 . 0 0 "[ . 1 . 2]" 1
271 1 88 ASN H 1 88 ASN HB2 3.760 . 4.320 2.972 2.521 3.797 . 0 0 "[ . 1 . 2]" 1
272 1 88 ASN H 1 88 ASN HB3 3.760 . 4.320 2.718 2.375 3.805 . 0 0 "[ . 1 . 2]" 1
273 1 89 VAL H 1 89 VAL HB 3.390 . 3.900 2.963 2.606 3.445 . 0 0 "[ . 1 . 2]" 1
274 1 89 VAL H 1 89 VAL MG1 3.890 . 4.470 2.918 1.958 3.948 . 0 0 "[ . 1 . 2]" 1
275 1 89 VAL H 1 89 VAL MG2 3.890 . 4.470 3.200 2.193 3.968 . 0 0 "[ . 1 . 2]" 1
276 1 90 THR H 1 90 THR MG 3.990 . 4.590 3.904 3.820 3.981 . 0 0 "[ . 1 . 2]" 1
277 1 91 TRP HB3 1 92 ASP H 6.000 . 6.900 4.351 3.607 4.464 . 0 0 "[ . 1 . 2]" 1
278 1 94 ASP H 1 94 ASP HB2 4.110 . 4.730 3.034 2.444 3.845 . 0 0 "[ . 1 . 2]" 1
279 1 97 THR H 1 97 THR HB 3.660 . 4.210 2.554 2.369 2.763 . 0 0 "[ . 1 . 2]" 1
280 1 97 THR H 1 97 THR MG 4.250 . 4.890 3.843 3.764 3.937 . 0 0 "[ . 1 . 2]" 1
281 1 98 VAL H 1 98 VAL HB 3.350 . 3.850 2.561 2.383 2.824 . 0 0 "[ . 1 . 2]" 1
282 1 98 VAL H 1 98 VAL MG1 3.910 . 4.500 3.834 3.764 3.973 . 0 0 "[ . 1 . 2]" 1
283 1 98 VAL H 1 98 VAL MG2 3.910 . 4.500 2.791 2.465 3.070 . 0 0 "[ . 1 . 2]" 1
284 1 105 VAL H 1 105 VAL HB 3.710 . 4.270 3.399 2.531 3.918 . 0 0 "[ . 1 . 2]" 1
285 1 105 VAL H 1 105 VAL MG1 4.210 . 4.840 3.120 1.948 4.094 . 0 0 "[ . 1 . 2]" 1
286 1 105 VAL H 1 105 VAL MG2 4.210 . 4.840 2.517 2.002 4.040 . 0 0 "[ . 1 . 2]" 1
287 1 36 GLU H 1 37 LEU H 3.180 . 3.660 2.587 2.447 2.716 . 0 0 "[ . 1 . 2]" 1
288 1 37 LEU H 1 38 GLN H 3.300 . 3.800 2.748 2.545 2.872 . 0 0 "[ . 1 . 2]" 1
289 1 38 GLN H 1 39 LYS H 3.320 . 3.820 2.717 2.598 2.979 . 0 0 "[ . 1 . 2]" 1
290 1 39 LYS H 1 40 VAL H 3.100 . 3.570 2.626 2.411 2.787 . 0 0 "[ . 1 . 2]" 1
291 1 40 VAL H 1 41 LEU H 3.270 . 3.760 2.653 2.408 2.859 . 0 0 "[ . 1 . 2]" 1
292 1 41 LEU H 1 42 ASN H 3.530 . 4.060 2.605 2.465 2.811 . 0 0 "[ . 1 . 2]" 1
293 1 43 GLU H 1 44 LEU H 3.730 . 4.290 2.537 2.407 2.686 . 0 0 "[ . 1 . 2]" 1
294 1 45 LYS H 1 46 ASP H 3.590 . 4.130 2.803 2.703 3.005 . 0 0 "[ . 1 . 2]" 1
295 1 47 TYR H 1 48 ILE H 3.720 . 4.280 2.655 2.439 2.863 . 0 0 "[ . 1 . 2]" 1
296 1 50 LYS H 1 51 GLN H 3.400 . 3.910 2.565 2.301 2.728 . 0 0 "[ . 1 . 2]" 1
297 1 62 ALA H 1 63 ARG H 4.480 . 5.150 3.580 2.488 3.998 . 0 0 "[ . 1 . 2]" 1
298 1 66 LYS H 1 67 GLU H 3.970 . 4.570 2.675 2.466 2.919 . 0 0 "[ . 1 . 2]" 1
299 1 68 ALA H 1 69 GLU H 3.130 . 3.600 2.677 2.550 2.804 . 0 0 "[ . 1 . 2]" 1
300 1 70 LYS H 1 71 PHE H 3.000 . 3.450 2.665 2.527 2.813 . 0 0 "[ . 1 . 2]" 1
301 1 73 ALA H 1 74 ILE H 3.130 . 3.600 2.833 2.733 2.957 . 0 0 "[ . 1 . 2]" 1
302 1 74 ILE H 1 75 LEU H 3.350 . 3.850 2.686 2.577 2.777 . 0 0 "[ . 1 . 2]" 1
303 1 75 LEU H 1 76 ILE H 3.870 . 4.450 2.608 2.481 2.765 . 0 0 "[ . 1 . 2]" 1
304 1 77 LYS H 1 78 VAL H 3.440 . 3.960 2.730 2.551 2.826 . 0 0 "[ . 1 . 2]" 1
305 1 80 ALA H 1 81 GLU H 3.310 . 3.810 2.509 2.377 2.603 . 0 0 "[ . 1 . 2]" 1
306 1 81 GLU H 1 82 LEU H 3.280 . 3.770 2.504 2.388 2.643 . 0 0 "[ . 1 . 2]" 1
307 1 94 ASP H 1 95 THR H 3.680 . 4.230 2.342 1.763 2.980 0.037 1 0 "[ . 1 . 2]" 1
308 1 60 ILE H 1 96 VAL H 4.440 . 5.110 3.285 2.941 3.636 . 0 0 "[ . 1 . 2]" 1
309 1 97 THR H 1 98 VAL H 4.480 . 5.150 4.295 3.959 4.523 . 0 0 "[ . 1 . 2]" 1
310 1 103 GLU H 1 104 GLY H 4.850 . 5.580 3.593 2.404 4.652 . 0 0 "[ . 1 . 2]" 1
311 1 104 GLY H 1 105 VAL H 5.550 . 6.380 3.797 1.915 4.626 . 0 0 "[ . 1 . 2]" 1
312 1 105 VAL H 1 106 ASP H 4.350 . 5.000 4.179 2.970 4.622 . 0 0 "[ . 1 . 2]" 1
313 1 37 LEU H 1 39 LYS H 4.330 . 4.980 4.266 4.002 4.618 . 0 0 "[ . 1 . 2]" 1
314 1 36 GLU HA 1 38 GLN H 4.720 . 5.430 4.438 4.193 4.689 . 0 0 "[ . 1 . 2]" 1
315 1 35 SER HA 1 38 GLN H 4.310 . 4.960 3.559 3.279 4.059 . 0 0 "[ . 1 . 2]" 1
316 1 37 LEU HA 1 39 LYS H 4.600 . 5.290 4.495 4.180 4.752 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLU HA 1 39 LYS H 3.960 . 4.550 3.590 3.142 4.048 . 0 0 "[ . 1 . 2]" 1
318 1 35 SER HA 1 39 LYS H 5.180 . 5.960 4.574 4.322 5.140 . 0 0 "[ . 1 . 2]" 1
319 1 39 LYS H 1 41 LEU H 4.440 . 5.110 4.179 3.967 4.451 . 0 0 "[ . 1 . 2]" 1
320 1 38 GLN HA 1 40 VAL H 4.770 . 5.490 4.556 4.349 4.777 . 0 0 "[ . 1 . 2]" 1
321 1 36 GLU HA 1 40 VAL H 5.180 . 5.960 4.282 3.789 4.515 . 0 0 "[ . 1 . 2]" 1
322 1 38 GLN HA 1 41 LEU H 4.000 . 4.600 3.791 3.463 4.195 . 0 0 "[ . 1 . 2]" 1
323 1 41 LEU H 1 43 GLU H 4.700 . 5.400 4.222 3.893 4.771 . 0 0 "[ . 1 . 2]" 1
324 1 39 LYS HA 1 42 ASN H 4.170 . 4.800 3.755 3.354 4.539 . 0 0 "[ . 1 . 2]" 1
325 1 43 GLU H 1 44 LEU HA 6.000 . 6.900 5.202 5.099 5.322 . 0 0 "[ . 1 . 2]" 1
326 1 40 VAL HA 1 43 GLU H 4.140 . 4.760 3.600 3.154 4.038 . 0 0 "[ . 1 . 2]" 1
327 1 39 LYS HA 1 43 GLU H 4.620 . 5.310 4.585 4.065 5.326 0.016 9 0 "[ . 1 . 2]" 1
328 1 43 GLU H 1 45 LYS H 4.460 . 5.130 4.030 3.625 4.317 . 0 0 "[ . 1 . 2]" 1
329 1 42 ASN HA 1 45 LYS H 4.090 . 4.700 3.770 3.441 4.047 . 0 0 "[ . 1 . 2]" 1
330 1 45 LYS H 1 47 TYR H 5.200 . 5.980 4.163 3.962 4.488 . 0 0 "[ . 1 . 2]" 1
331 1 44 LEU HA 1 47 TYR H 4.070 . 4.680 3.382 3.092 3.668 . 0 0 "[ . 1 . 2]" 1
332 1 47 TYR H 1 49 LYS H 4.390 . 5.050 4.030 3.678 4.180 . 0 0 "[ . 1 . 2]" 1
333 1 48 ILE H 1 50 LYS H 4.420 . 5.080 4.064 3.814 4.391 . 0 0 "[ . 1 . 2]" 1
334 1 47 TYR HA 1 50 LYS H 4.130 . 4.750 3.518 3.202 4.004 . 0 0 "[ . 1 . 2]" 1
335 1 66 LYS H 1 68 ALA H 4.470 . 5.140 3.908 3.688 4.068 . 0 0 "[ . 1 . 2]" 1
336 1 67 GLU H 1 69 GLU H 4.590 . 5.280 4.140 3.940 4.435 . 0 0 "[ . 1 . 2]" 1
337 1 67 GLU HA 1 69 GLU H 4.500 . 5.180 4.213 3.854 4.493 . 0 0 "[ . 1 . 2]" 1
338 1 66 LYS HA 1 69 GLU H 3.650 . 4.200 3.544 3.229 3.802 . 0 0 "[ . 1 . 2]" 1
339 1 69 GLU H 1 71 PHE H 4.460 . 5.130 4.279 4.082 4.604 . 0 0 "[ . 1 . 2]" 1
340 1 68 ALA H 1 70 LYS H 4.510 . 5.190 4.356 3.851 4.565 . 0 0 "[ . 1 . 2]" 1
341 1 67 GLU HA 1 70 LYS H 3.500 . 4.030 3.504 3.163 3.853 . 0 0 "[ . 1 . 2]" 1
342 1 66 LYS HA 1 70 LYS H 4.450 . 5.120 4.324 4.047 4.483 . 0 0 "[ . 1 . 2]" 1
343 1 70 LYS H 1 72 ALA H 4.270 . 4.910 4.094 3.817 4.220 . 0 0 "[ . 1 . 2]" 1
344 1 69 GLU HA 1 71 PHE H 4.910 . 5.650 4.936 4.629 5.180 . 0 0 "[ . 1 . 2]" 1
345 1 67 GLU HA 1 71 PHE H 4.160 . 4.780 3.608 3.275 3.884 . 0 0 "[ . 1 . 2]" 1
346 1 68 ALA HA 1 71 PHE H 4.470 . 5.140 4.309 3.965 4.559 . 0 0 "[ . 1 . 2]" 1
347 1 71 PHE H 1 73 ALA H 4.860 . 5.590 4.099 3.886 4.558 . 0 0 "[ . 1 . 2]" 1
348 1 70 LYS HA 1 72 ALA H 4.290 . 4.930 4.540 4.211 4.780 . 0 0 "[ . 1 . 2]" 1
349 1 69 GLU HA 1 72 ALA H 4.100 . 4.720 4.261 3.849 4.733 0.013 4 0 "[ . 1 . 2]" 1
350 1 68 ALA HA 1 72 ALA H 4.170 . 4.800 4.011 3.729 4.332 . 0 0 "[ . 1 . 2]" 1
351 1 70 LYS HA 1 73 ALA H 3.930 . 4.520 3.641 3.389 4.090 . 0 0 "[ . 1 . 2]" 1
352 1 69 GLU HA 1 73 ALA H 4.770 . 5.490 4.352 3.983 4.750 . 0 0 "[ . 1 . 2]" 1
353 1 72 ALA HA 1 74 ILE H 4.810 . 5.530 4.621 4.454 4.789 . 0 0 "[ . 1 . 2]" 1
354 1 71 PHE HA 1 74 ILE H 3.950 . 4.540 3.634 3.388 3.942 . 0 0 "[ . 1 . 2]" 1
355 1 70 LYS HA 1 74 ILE H 4.770 . 5.490 4.469 4.054 5.083 . 0 0 "[ . 1 . 2]" 1
356 1 73 ALA HA 1 75 LEU H 5.890 . 6.770 4.437 4.232 4.615 . 0 0 "[ . 1 . 2]" 1
357 1 73 ALA H 1 75 LEU H 5.010 . 5.760 4.147 3.938 4.335 . 0 0 "[ . 1 . 2]" 1
358 1 71 PHE HA 1 75 LEU H 4.560 . 5.240 4.384 3.996 4.937 . 0 0 "[ . 1 . 2]" 1
359 1 73 ALA HA 1 76 ILE H 4.470 . 5.140 3.586 3.282 3.853 . 0 0 "[ . 1 . 2]" 1
360 1 75 LEU HA 1 77 LYS H 4.750 . 5.460 4.284 4.113 4.449 . 0 0 "[ . 1 . 2]" 1
361 1 74 ILE HA 1 77 LYS H 4.220 . 4.850 3.583 3.406 3.740 . 0 0 "[ . 1 . 2]" 1
362 1 76 ILE HA 1 78 VAL H 4.610 . 5.300 4.491 4.373 4.633 . 0 0 "[ . 1 . 2]" 1
363 1 75 LEU HA 1 78 VAL H 4.020 . 4.620 3.171 2.947 3.569 . 0 0 "[ . 1 . 2]" 1
364 1 77 LYS HA 1 79 TYR H 4.720 . 5.430 4.578 4.365 4.812 . 0 0 "[ . 1 . 2]" 1
365 1 76 ILE HA 1 79 TYR H 4.220 . 4.850 3.582 3.329 3.777 . 0 0 "[ . 1 . 2]" 1
366 1 75 LEU HA 1 79 TYR H 4.780 . 5.500 4.093 3.663 4.399 . 0 0 "[ . 1 . 2]" 1
367 1 78 VAL H 1 80 ALA H 4.480 . 5.150 3.937 3.790 4.154 . 0 0 "[ . 1 . 2]" 1
368 1 77 LYS HA 1 80 ALA H 3.800 . 4.370 3.326 3.064 3.706 . 0 0 "[ . 1 . 2]" 1
369 1 79 TYR HA 1 81 GLU H 4.430 . 5.090 4.199 4.014 4.525 . 0 0 "[ . 1 . 2]" 1
370 1 79 TYR H 1 81 GLU H 4.500 . 5.180 4.191 4.003 4.359 . 0 0 "[ . 1 . 2]" 1
371 1 77 LYS HA 1 81 GLU H 4.400 . 5.060 4.184 3.898 4.424 . 0 0 "[ . 1 . 2]" 1
372 1 12 ILE H 1 31 VAL H 4.240 . 4.880 3.977 3.482 4.555 . 0 0 "[ . 1 . 2]" 1
373 1 12 ILE H 1 32 THR MG 5.310 . 6.110 5.547 4.933 5.829 . 0 0 "[ . 1 . 2]" 1
374 1 13 GLN H 1 61 THR H 4.670 . 5.370 3.135 2.330 3.546 . 0 0 "[ . 1 . 2]" 1
375 1 13 GLN HE21 1 28 THR MG 4.420 . 5.080 3.034 2.178 4.513 . 0 0 "[ . 1 . 2]" 1
376 1 13 GLN HE22 1 28 THR MG 4.420 . 5.080 4.055 3.197 5.019 . 0 0 "[ . 1 . 2]" 1
377 1 14 VAL H 1 28 THR MG 3.970 . 4.570 4.086 3.412 4.678 0.108 19 0 "[ . 1 . 2]" 1
378 1 12 ILE MG 1 14 VAL H 4.950 . 5.690 4.122 3.580 4.702 . 0 0 "[ . 1 . 2]" 1
379 1 15 GLN H 1 60 ILE MG 5.480 . 6.300 5.437 4.968 5.809 . 0 0 "[ . 1 . 2]" 1
380 1 15 GLN H 1 60 ILE HG12 4.330 . 4.980 4.519 3.800 5.081 0.101 2 0 "[ . 1 . 2]" 1
381 1 15 GLN H 1 58 THR MG 3.870 . 4.450 3.868 3.323 4.377 . 0 0 "[ . 1 . 2]" 1
382 1 17 ASN H 1 58 THR HA 3.850 . 4.430 3.596 3.169 3.992 . 0 0 "[ . 1 . 2]" 1
383 1 17 ASN H 1 58 THR MG 4.820 . 5.540 5.114 4.330 5.544 0.004 2 0 "[ . 1 . 2]" 1
384 1 14 VAL MG1 1 29 TYR H 4.850 . 5.580 3.921 3.618 4.503 . 0 0 "[ . 1 . 2]" 1
385 1 14 VAL MG2 1 29 TYR H 4.850 . 5.580 4.174 3.759 4.637 . 0 0 "[ . 1 . 2]" 1
386 1 14 VAL HB 1 29 TYR H 4.060 . 4.670 2.819 2.402 3.530 . 0 0 "[ . 1 . 2]" 1
387 1 12 ILE HB 1 31 VAL H 4.320 . 4.970 3.352 2.976 3.831 . 0 0 "[ . 1 . 2]" 1
388 1 31 VAL MG1 1 33 THR H 4.530 . 5.210 4.372 4.160 4.656 . 0 0 "[ . 1 . 2]" 1
389 1 33 THR H 1 36 GLU HB3 4.270 . 4.910 4.533 3.974 4.971 0.061 2 0 "[ . 1 . 2]" 1
390 1 33 THR H 1 36 GLU HB2 3.410 . 3.920 3.117 2.513 3.583 . 0 0 "[ . 1 . 2]" 1
391 1 31 VAL HB 1 33 THR H 3.530 . 4.060 2.787 2.495 3.088 . 0 0 "[ . 1 . 2]" 1
392 1 33 THR H 1 36 GLU H 4.310 . 4.960 4.348 3.999 4.744 . 0 0 "[ . 1 . 2]" 1
393 1 33 THR MG 1 36 GLU H 4.370 . 5.030 2.762 1.964 3.330 . 0 0 "[ . 1 . 2]" 1
394 1 31 VAL MG2 1 36 GLU H 5.120 . 5.890 4.591 4.379 4.824 . 0 0 "[ . 1 . 2]" 1
395 1 11 ASP H 1 12 ILE H 4.780 . 5.500 4.572 4.406 4.630 . 0 0 "[ . 1 . 2]" 1
396 1 47 TYR H 1 49 LYS HB2 6.000 . 6.900 5.621 5.033 5.977 . 0 0 "[ . 1 . 2]" 1
397 1 47 TYR H 1 49 LYS HB3 6.000 . 6.900 5.000 4.646 5.428 . 0 0 "[ . 1 . 2]" 1
398 1 45 LYS HB3 1 47 TYR H 4.950 . 5.690 4.937 4.674 5.324 . 0 0 "[ . 1 . 2]" 1
399 1 47 TYR H 1 48 ILE HG13 5.190 . 5.970 4.324 4.111 4.659 . 0 0 "[ . 1 . 2]" 1
400 1 58 THR H 1 99 GLU HA 5.010 . 5.760 4.220 3.742 4.990 . 0 0 "[ . 1 . 2]" 1
401 1 59 SER H 1 60 ILE HG13 4.390 . 5.050 4.306 3.954 4.684 . 0 0 "[ . 1 . 2]" 1
402 1 15 GLN HB3 1 59 SER H 4.890 . 5.620 4.213 3.555 5.003 . 0 0 "[ . 1 . 2]" 1
403 1 15 GLN HB2 1 59 SER H 4.890 . 5.620 4.759 3.066 5.662 0.042 17 0 "[ . 1 . 2]" 1
404 1 15 GLN HG2 1 59 SER H 6.000 . 6.900 5.388 4.416 6.560 . 0 0 "[ . 1 . 2]" 1
405 1 15 GLN HG3 1 59 SER H 6.000 . 6.900 5.983 5.021 6.657 . 0 0 "[ . 1 . 2]" 1
406 1 15 GLN HA 1 59 SER H 5.210 . 5.990 4.895 4.681 5.065 . 0 0 "[ . 1 . 2]" 1
407 1 59 SER H 1 97 THR HA 5.660 . 6.510 4.612 4.187 4.908 . 0 0 "[ . 1 . 2]" 1
408 1 14 VAL HA 1 59 SER H 5.390 . 6.200 4.591 4.115 5.254 . 0 0 "[ . 1 . 2]" 1
409 1 15 GLN H 1 59 SER H 3.370 . 3.880 3.174 2.821 3.499 . 0 0 "[ . 1 . 2]" 1
410 1 61 THR H 1 95 THR MG 4.700 . 5.400 3.674 3.109 4.238 . 0 0 "[ . 1 . 2]" 1
411 1 62 ALA H 1 96 VAL H 4.260 . 4.900 3.330 2.932 3.903 . 0 0 "[ . 1 . 2]" 1
412 1 62 ALA H 1 64 THR H 5.740 . 6.600 5.711 4.986 6.308 . 0 0 "[ . 1 . 2]" 1
413 1 62 ALA H 1 95 THR HA 2.990 . 3.440 2.079 1.771 2.589 0.029 5 0 "[ . 1 . 2]" 1
414 1 62 ALA H 1 95 THR MG 3.840 . 4.420 3.813 3.226 4.323 . 0 0 "[ . 1 . 2]" 1
415 1 62 ALA H 1 63 ARG HB2 6.000 . 6.900 6.055 5.616 6.517 . 0 0 "[ . 1 . 2]" 1
416 1 64 THR H 1 91 TRP HZ2 5.190 . 5.970 4.772 3.985 5.579 . 0 0 "[ . 1 . 2]" 1
417 1 64 THR MG 1 67 GLU H 4.180 . 4.810 4.515 4.041 4.880 0.070 12 0 "[ . 1 . 2]" 1
418 1 62 ALA MB 1 68 ALA H 3.310 . 3.810 3.052 2.756 3.710 . 0 0 "[ . 1 . 2]" 1
419 1 64 THR MG 1 68 ALA H 5.020 . 5.770 5.673 5.115 5.829 0.059 20 0 "[ . 1 . 2]" 1
420 1 72 ALA H 1 76 ILE MD 6.000 . 6.900 5.173 4.892 5.391 . 0 0 "[ . 1 . 2]" 1
421 1 73 ALA H 1 74 ILE MD 5.180 . 5.960 5.293 5.093 5.448 . 0 0 "[ . 1 . 2]" 1
422 1 73 ALA H 1 76 ILE MD 4.140 . 4.760 4.300 3.932 4.650 . 0 0 "[ . 1 . 2]" 1
423 1 73 ALA H 1 74 ILE HB 5.240 . 6.030 5.067 4.883 5.225 . 0 0 "[ . 1 . 2]" 1
424 1 41 LEU MD1 1 75 LEU H 6.000 . 6.900 4.004 3.138 4.540 . 0 0 "[ . 1 . 2]" 1
425 1 41 LEU MD2 1 75 LEU H 6.000 . 6.900 5.565 5.126 5.976 . 0 0 "[ . 1 . 2]" 1
426 1 79 TYR H 1 87 ILE MG 5.570 . 6.410 4.359 3.806 5.588 . 0 0 "[ . 1 . 2]" 1
427 1 79 TYR H 1 87 ILE MD 4.870 . 5.600 4.645 4.119 5.133 . 0 0 "[ . 1 . 2]" 1
428 1 80 ALA H 1 87 ILE MD 3.880 . 4.460 3.895 3.321 4.420 . 0 0 "[ . 1 . 2]" 1
429 1 80 ALA H 1 83 GLY H 4.830 . 5.550 4.567 4.250 4.841 . 0 0 "[ . 1 . 2]" 1
430 1 81 GLU H 1 87 ILE MD 5.970 . 6.870 5.395 4.877 5.922 . 0 0 "[ . 1 . 2]" 1
431 1 90 THR H 1 97 THR HB 4.930 . 5.670 4.174 3.069 5.748 0.078 18 0 "[ . 1 . 2]" 1
432 1 62 ALA MB 1 91 TRP HE1 3.680 . 4.230 3.186 2.178 4.073 . 0 0 "[ . 1 . 2]" 1
433 1 91 TRP HA 1 97 THR H 4.270 . 4.910 3.096 2.717 3.575 . 0 0 "[ . 1 . 2]" 1
434 1 59 SER HA 1 98 VAL H 4.360 . 5.010 3.582 3.183 3.946 . 0 0 "[ . 1 . 2]" 1
435 1 90 THR HB 1 97 THR H 4.830 . 5.550 3.890 3.346 4.359 . 0 0 "[ . 1 . 2]" 1
436 1 62 ALA MB 1 96 VAL H 4.630 . 5.320 2.715 2.219 3.262 . 0 0 "[ . 1 . 2]" 1
437 1 80 ALA MB 1 82 LEU H 4.560 . 5.240 4.475 4.293 4.632 . 0 0 "[ . 1 . 2]" 1
438 1 31 VAL MG2 1 37 LEU H 3.860 . 4.440 2.944 2.599 3.278 . 0 0 "[ . 1 . 2]" 1
439 1 31 VAL MG1 1 37 LEU H 4.400 . 5.060 3.789 3.182 4.313 . 0 0 "[ . 1 . 2]" 1
440 1 16 ASN HA 1 59 SER H 3.670 . 4.220 3.435 2.868 3.954 . 0 0 "[ . 1 . 2]" 1
441 1 60 ILE H 1 97 THR HA 4.100 . 4.720 3.769 3.386 4.082 . 0 0 "[ . 1 . 2]" 1
442 1 90 THR H 1 98 VAL HA 3.860 . 4.440 3.281 2.730 3.878 . 0 0 "[ . 1 . 2]" 1
443 1 19 THR H 1 56 SER HA 4.700 . 5.400 3.701 2.755 5.117 . 0 0 "[ . 1 . 2]" 1
444 1 12 ILE H 1 61 THR HB 5.130 . 5.900 4.719 4.383 5.094 . 0 0 "[ . 1 . 2]" 1
445 1 15 GLN H 1 60 ILE HA 3.930 . 4.520 3.745 3.228 4.044 . 0 0 "[ . 1 . 2]" 1
446 1 15 GLN HA 1 29 TYR H 4.610 . 5.300 3.859 3.444 4.399 . 0 0 "[ . 1 . 2]" 1
447 1 17 ASN H 1 59 SER H 5.140 . 5.910 4.887 4.004 5.504 . 0 0 "[ . 1 . 2]" 1
448 1 33 THR HB 1 36 GLU H 4.660 . 5.360 3.089 2.465 5.351 . 0 0 "[ . 1 . 2]" 1
449 1 38 GLN H 1 39 LYS HA 5.450 . 6.270 5.350 5.255 5.512 . 0 0 "[ . 1 . 2]" 1
450 1 42 ASN H 1 45 LYS H 4.860 . 5.590 4.658 4.430 4.869 . 0 0 "[ . 1 . 2]" 1
451 1 45 LYS H 1 78 VAL QG 4.720 . 4.770 3.530 3.245 3.920 . 0 0 "[ . 1 . 2]" 1
452 1 64 THR H 1 67 GLU H 4.560 . 5.240 4.254 3.487 5.134 . 0 0 "[ . 1 . 2]" 1
453 1 64 THR H 1 68 ALA H 4.270 . 4.910 4.560 4.025 4.963 0.053 9 0 "[ . 1 . 2]" 1
454 1 66 LYS HB2 1 69 GLU H 5.530 . 6.360 5.594 5.405 6.007 . 0 0 "[ . 1 . 2]" 1
455 1 66 LYS HB3 1 69 GLU H 5.530 . 6.360 5.411 5.190 5.763 . 0 0 "[ . 1 . 2]" 1
456 1 69 GLU H 1 72 ALA MB 5.250 . 6.040 4.655 4.419 4.859 . 0 0 "[ . 1 . 2]" 1
457 1 70 LYS H 1 71 PHE HB2 4.880 . 5.610 4.933 4.830 5.057 . 0 0 "[ . 1 . 2]" 1
458 1 72 ALA H 1 75 LEU HB3 6.000 . 6.900 5.845 5.188 6.922 0.022 15 0 "[ . 1 . 2]" 1
459 1 70 LYS HG3 1 72 ALA H 4.950 . 5.690 5.060 4.737 5.987 0.297 18 0 "[ . 1 . 2]" 1
460 1 76 ILE H 1 77 LYS HB2 5.020 . 5.770 4.699 4.493 4.921 . 0 0 "[ . 1 . 2]" 1
461 1 79 TYR HA 1 82 LEU H 4.160 . 4.780 3.177 2.747 3.667 . 0 0 "[ . 1 . 2]" 1
462 1 80 ALA MB 1 83 GLY H 4.660 . 5.360 4.502 4.290 4.764 . 0 0 "[ . 1 . 2]" 1
463 1 83 GLY H 1 84 TYR H 4.430 . 5.090 3.627 2.717 4.476 . 0 0 "[ . 1 . 2]" 1
464 1 81 GLU H 1 83 GLY H 4.550 . 5.230 3.871 3.639 4.127 . 0 0 "[ . 1 . 2]" 1
465 1 11 ASP H 1 11 ASP HA 2.930 . 3.370 2.858 2.790 2.919 . 0 0 "[ . 1 . 2]" 1
466 1 58 THR HB 1 98 VAL H 4.570 . 5.260 3.994 3.640 4.203 . 0 0 "[ . 1 . 2]" 1
467 1 105 VAL H 1 106 ASP HA 4.850 . 5.580 5.230 4.879 5.579 . 0 0 "[ . 1 . 2]" 1
468 1 12 ILE H 1 32 THR HA 3.370 . 3.880 2.944 2.064 3.285 . 0 0 "[ . 1 . 2]" 1
469 1 10 GLY QA 1 11 ASP H 2.920 . 3.360 2.610 2.184 2.938 . 0 0 "[ . 1 . 2]" 1
470 1 12 ILE MG 1 31 VAL H 4.050 . 4.660 4.077 3.802 4.482 . 0 0 "[ . 1 . 2]" 1
471 1 58 THR H 1 75 LEU QD . . 5.260 3.718 3.148 4.312 . 0 0 "[ . 1 . 2]" 1
472 1 61 THR MG 1 63 ARG H 4.660 . 5.360 3.511 2.402 4.256 . 0 0 "[ . 1 . 2]" 1
473 1 64 THR H 1 67 GLU HB2 3.460 . 3.980 2.957 2.179 3.782 . 0 0 "[ . 1 . 2]" 1
474 1 64 THR H 1 66 LYS H 5.820 . 6.690 5.320 4.588 6.049 . 0 0 "[ . 1 . 2]" 1
475 1 64 THR HB 1 67 GLU H 4.720 . 5.430 3.832 3.174 4.826 . 0 0 "[ . 1 . 2]" 1
476 1 76 ILE HA 1 80 ALA H 4.850 . 5.580 4.190 3.958 4.296 . 0 0 "[ . 1 . 2]" 1
477 1 90 THR MG 1 97 THR H 4.800 . 5.520 4.273 3.641 4.875 . 0 0 "[ . 1 . 2]" 1
478 1 62 ALA MB 1 97 THR H 6.000 . 6.900 5.868 5.333 6.525 . 0 0 "[ . 1 . 2]" 1
479 1 60 ILE MG 1 62 ALA H 4.980 . 5.730 4.497 4.093 4.691 . 0 0 "[ . 1 . 2]" 1
480 1 101 GLN HE22 1 101 GLN QG 3.640 . 4.190 3.329 3.216 3.505 . 0 0 "[ . 1 . 2]" 1
481 1 101 GLN QB 1 101 GLN HE22 4.260 . 4.900 3.765 3.241 4.476 . 0 0 "[ . 1 . 2]" 1
482 1 55 ARG QG 1 56 SER H 4.640 . 5.340 3.110 2.141 4.480 . 0 0 "[ . 1 . 2]" 1
483 1 87 ILE H 1 87 ILE MD 4.230 . 4.860 3.596 3.132 3.933 . 0 0 "[ . 1 . 2]" 1
484 1 16 ASN HD21 1 48 ILE MD 5.310 . 6.110 2.728 1.804 3.783 . 0 0 "[ . 1 . 2]" 1
485 1 32 THR H 1 36 GLU HB2 4.690 . 5.390 3.960 3.175 4.754 . 0 0 "[ . 1 . 2]" 1
486 1 32 THR H 1 36 GLU HB3 4.880 . 5.610 4.729 3.846 5.659 0.049 2 0 "[ . 1 . 2]" 1
487 1 64 THR HB 1 66 LYS H 4.060 . 4.670 3.188 2.721 4.002 . 0 0 "[ . 1 . 2]" 1
488 1 76 ILE H 1 98 VAL MG1 5.030 . 5.780 4.305 3.432 5.277 . 0 0 "[ . 1 . 2]" 1
489 1 12 ILE HA 1 12 ILE HG13 4.000 . 4.600 3.111 3.051 3.203 . 0 0 "[ . 1 . 2]" 1
490 1 12 ILE HA 1 12 ILE MD 4.020 . 4.620 3.973 3.929 4.041 . 0 0 "[ . 1 . 2]" 1
491 1 12 ILE HB 1 12 ILE MD 3.320 . 3.820 2.424 2.385 2.477 . 0 0 "[ . 1 . 2]" 1
492 1 12 ILE HB 1 31 VAL MG2 3.510 . 4.040 1.923 1.812 2.085 . 0 0 "[ . 1 . 2]" 1
493 1 12 ILE MG 1 13 GLN H 3.680 . 4.230 3.376 3.268 3.459 . 0 0 "[ . 1 . 2]" 1
494 1 12 ILE HA 1 12 ILE MG 3.480 . 4.000 2.418 2.367 2.472 . 0 0 "[ . 1 . 2]" 1
495 1 12 ILE HG12 1 12 ILE MG 3.330 . 3.830 2.412 2.379 2.462 . 0 0 "[ . 1 . 2]" 1
496 1 12 ILE MD 1 12 ILE MG 2.530 . 2.910 2.068 2.027 2.125 . 0 0 "[ . 1 . 2]" 1
497 1 12 ILE MG 1 31 VAL MG2 2.780 . 3.200 2.691 2.494 2.816 . 0 0 "[ . 1 . 2]" 1
498 1 12 ILE HG13 1 12 ILE MG 3.440 . 3.960 3.249 3.235 3.263 . 0 0 "[ . 1 . 2]" 1
499 1 12 ILE HA 1 12 ILE HG12 3.910 . 4.500 2.757 2.668 2.881 . 0 0 "[ . 1 . 2]" 1
500 1 13 GLN HA 1 13 GLN HG2 4.190 . 4.820 3.101 2.528 3.284 . 0 0 "[ . 1 . 2]" 1
501 1 13 GLN H 1 13 GLN HG3 4.980 . 5.730 4.548 2.924 4.680 . 0 0 "[ . 1 . 2]" 1
502 1 13 GLN HA 1 13 GLN HG3 4.190 . 4.820 2.678 2.530 2.918 . 0 0 "[ . 1 . 2]" 1
503 1 14 VAL HA 1 14 VAL MG1 3.240 . 3.730 2.387 2.338 2.462 . 0 0 "[ . 1 . 2]" 1
504 1 14 VAL HA 1 14 VAL MG2 3.240 . 3.730 2.563 2.484 2.633 . 0 0 "[ . 1 . 2]" 1
505 1 15 GLN H 1 15 GLN HB2 3.800 . 4.370 2.907 2.361 3.216 . 0 0 "[ . 1 . 2]" 1
506 1 15 GLN H 1 15 GLN HG2 4.950 . 5.690 4.260 2.926 4.660 . 0 0 "[ . 1 . 2]" 1
507 1 15 GLN H 1 15 GLN HG3 4.950 . 5.690 4.308 2.694 4.906 . 0 0 "[ . 1 . 2]" 1
508 1 28 THR HA 1 28 THR MG 3.470 . 3.990 2.434 2.341 2.511 . 0 0 "[ . 1 . 2]" 1
509 1 30 THR HA 1 30 THR MG 3.070 . 3.530 2.420 2.358 2.499 . 0 0 "[ . 1 . 2]" 1
510 1 31 VAL H 1 31 VAL MG1 3.980 . 4.580 2.798 2.556 3.186 . 0 0 "[ . 1 . 2]" 1
511 1 31 VAL HA 1 31 VAL MG1 3.250 . 3.740 2.410 2.356 2.491 . 0 0 "[ . 1 . 2]" 1
512 1 31 VAL MG1 1 40 VAL MG2 4.100 . 4.720 2.491 1.984 3.778 . 0 0 "[ . 1 . 2]" 1
513 1 32 THR HA 1 32 THR MG 3.360 . 3.860 3.269 3.257 3.289 . 0 0 "[ . 1 . 2]" 1
514 1 33 THR H 1 33 THR HB 3.540 . 4.070 2.809 2.467 3.322 . 0 0 "[ . 1 . 2]" 1
515 1 33 THR H 1 33 THR MG 4.100 . 4.720 3.780 2.326 4.034 . 0 0 "[ . 1 . 2]" 1
516 1 33 THR HA 1 33 THR MG 3.060 . 3.520 2.515 2.382 3.263 . 0 0 "[ . 1 . 2]" 1
517 1 36 GLU HA 1 36 GLU HG2 3.960 . 4.550 3.140 2.594 3.717 . 0 0 "[ . 1 . 2]" 1
518 1 36 GLU HA 1 36 GLU HG3 3.960 . 4.550 3.598 2.644 3.924 . 0 0 "[ . 1 . 2]" 1
519 1 37 LEU HA 1 37 LEU HG 4.260 . 4.900 3.244 2.734 3.837 . 0 0 "[ . 1 . 2]" 1
520 1 37 LEU H 1 37 LEU HG 4.480 . 5.150 4.396 2.580 4.614 . 0 0 "[ . 1 . 2]" 1
521 1 37 LEU H 1 37 LEU MD2 4.540 . 5.220 4.244 3.601 4.348 . 0 0 "[ . 1 . 2]" 1
522 1 38 GLN HA 1 38 GLN HG2 3.840 . 4.420 2.985 2.579 3.716 . 0 0 "[ . 1 . 2]" 1
523 1 38 GLN HA 1 38 GLN HG3 3.840 . 4.420 3.092 2.489 3.814 . 0 0 "[ . 1 . 2]" 1
524 1 39 LYS HA 1 39 LYS HG3 3.920 . 4.510 3.419 2.838 3.879 . 0 0 "[ . 1 . 2]" 1
525 1 39 LYS HA 1 39 LYS HG2 3.920 . 4.510 3.175 2.518 3.877 . 0 0 "[ . 1 . 2]" 1
526 1 39 LYS H 1 39 LYS HD2 5.460 . 6.280 4.533 3.643 4.984 . 0 0 "[ . 1 . 2]" 1
527 1 39 LYS H 1 39 LYS HD3 5.460 . 6.280 4.353 3.726 5.135 . 0 0 "[ . 1 . 2]" 1
528 1 39 LYS H 1 39 LYS HE2 6.000 . 6.900 5.003 2.646 6.223 . 0 0 "[ . 1 . 2]" 1
529 1 39 LYS H 1 39 LYS HE3 6.000 . 6.900 5.042 3.513 6.113 . 0 0 "[ . 1 . 2]" 1
530 1 41 LEU HA 1 41 LEU HG 3.720 . 4.280 3.114 3.047 3.173 . 0 0 "[ . 1 . 2]" 1
531 1 41 LEU H 1 41 LEU MD2 4.150 . 4.770 3.459 3.325 3.662 . 0 0 "[ . 1 . 2]" 1
532 1 42 ASN HA 1 45 LYS HE3 4.010 . 4.610 4.084 2.478 4.566 . 0 0 "[ . 1 . 2]" 1
533 1 42 ASN H 1 42 ASN HB3 3.610 . 4.150 2.991 2.439 3.661 . 0 0 "[ . 1 . 2]" 1
534 1 44 LEU HA 1 44 LEU HG 3.700 . 4.260 2.918 2.566 3.438 . 0 0 "[ . 1 . 2]" 1
535 1 44 LEU H 1 44 LEU HG 4.580 . 5.270 4.494 4.283 4.567 . 0 0 "[ . 1 . 2]" 1
536 1 44 LEU H 1 44 LEU MD1 5.590 . 6.430 4.194 4.074 4.358 . 0 0 "[ . 1 . 2]" 1
537 1 45 LYS HA 1 45 LYS HG2 3.820 . 4.390 3.244 3.172 3.336 . 0 0 "[ . 1 . 2]" 1
538 1 45 LYS HA 1 45 LYS HG3 3.930 . 4.520 2.711 2.589 2.856 . 0 0 "[ . 1 . 2]" 1
539 1 45 LYS HB2 1 45 LYS HD3 3.100 . 3.570 2.576 2.488 2.658 . 0 0 "[ . 1 . 2]" 1
540 1 45 LYS HB2 1 45 LYS HE3 4.160 . 4.780 3.970 2.897 4.153 . 0 0 "[ . 1 . 2]" 1
541 1 45 LYS HB3 1 45 LYS HD3 3.340 . 3.840 3.117 2.967 3.230 . 0 0 "[ . 1 . 2]" 1
542 1 45 LYS HB3 1 45 LYS HE2 4.520 . 5.200 2.139 1.881 3.710 . 0 0 "[ . 1 . 2]" 1
543 1 45 LYS H 1 45 LYS HG2 4.500 . 5.180 4.459 4.414 4.540 . 0 0 "[ . 1 . 2]" 1
544 1 45 LYS HG2 1 82 LEU HG 4.180 . 4.810 3.680 3.052 4.088 . 0 0 "[ . 1 . 2]" 1
545 1 45 LYS HD2 1 45 LYS HG2 2.800 . 3.220 2.462 2.425 2.490 . 0 0 "[ . 1 . 2]" 1
546 1 45 LYS HG3 1 82 LEU HG 4.030 . 4.630 2.511 2.097 2.895 . 0 0 "[ . 1 . 2]" 1
547 1 45 LYS H 1 45 LYS HD3 5.170 . 5.950 4.923 4.822 5.040 . 0 0 "[ . 1 . 2]" 1
548 1 45 LYS HD3 1 78 VAL HA 4.420 . 5.080 2.511 2.066 3.006 . 0 0 "[ . 1 . 2]" 1
549 1 45 LYS HD2 1 78 VAL HA 4.910 . 5.650 3.557 3.026 4.142 . 0 0 "[ . 1 . 2]" 1
550 1 45 LYS HA 1 45 LYS HE2 6.000 . 6.900 4.933 4.772 6.174 . 0 0 "[ . 1 . 2]" 1
551 1 45 LYS HE2 1 78 VAL HA 6.000 . 6.900 4.864 4.466 5.326 . 0 0 "[ . 1 . 2]" 1
552 1 45 LYS HB2 1 45 LYS HE2 4.160 . 4.780 3.012 2.763 4.217 . 0 0 "[ . 1 . 2]" 1
553 1 45 LYS HE2 1 45 LYS HG2 4.160 . 4.780 3.189 3.027 3.805 . 0 0 "[ . 1 . 2]" 1
554 1 45 LYS HA 1 45 LYS HE3 6.000 . 6.900 5.347 4.945 5.551 . 0 0 "[ . 1 . 2]" 1
555 1 45 LYS HE3 1 78 VAL HA 6.000 . 6.900 5.419 4.719 6.032 . 0 0 "[ . 1 . 2]" 1
556 1 45 LYS HB3 1 45 LYS HE3 4.520 . 5.200 2.912 2.174 3.131 . 0 0 "[ . 1 . 2]" 1
557 1 45 LYS HE3 1 45 LYS HG2 4.160 . 4.780 2.663 2.545 3.308 . 0 0 "[ . 1 . 2]" 1
558 1 46 ASP H 1 46 ASP HB2 3.670 . 4.220 2.552 2.296 2.704 . 0 0 "[ . 1 . 2]" 1
559 1 46 ASP H 1 46 ASP HB3 3.670 . 4.220 2.658 2.392 3.619 . 0 0 "[ . 1 . 2]" 1
560 1 47 TYR HA 1 47 TYR QD 3.530 . 4.060 2.597 1.960 3.154 . 0 0 "[ . 1 . 2]" 1
561 1 47 TYR HA 1 47 TYR HE2 5.070 . 5.830 5.787 4.945 6.221 0.391 20 0 "[ . 1 . 2]" 1
562 1 47 TYR HB2 1 47 TYR HE2 5.140 . 5.910 4.840 4.649 5.440 . 0 0 "[ . 1 . 2]" 1
563 1 48 ILE HA 1 48 ILE HG13 3.620 . 4.160 3.092 2.965 3.201 . 0 0 "[ . 1 . 2]" 1
564 1 48 ILE HA 1 48 ILE HG12 3.820 . 4.390 2.625 2.335 2.776 . 0 0 "[ . 1 . 2]" 1
565 1 48 ILE H 1 48 ILE MG 4.300 . 4.950 3.820 3.767 3.863 . 0 0 "[ . 1 . 2]" 1
566 1 48 ILE HA 1 48 ILE MG 3.330 . 3.830 2.502 2.405 2.633 . 0 0 "[ . 1 . 2]" 1
567 1 48 ILE HG12 1 48 ILE MG 3.370 . 3.880 2.465 2.391 2.622 . 0 0 "[ . 1 . 2]" 1
568 1 48 ILE MD 1 48 ILE MG 3.290 . 3.780 2.006 1.967 2.105 . 0 0 "[ . 1 . 2]" 1
569 1 48 ILE HG13 1 48 ILE MG 3.530 . 4.060 3.250 3.237 3.263 . 0 0 "[ . 1 . 2]" 1
570 1 48 ILE H 1 48 ILE HG12 4.280 . 4.920 3.451 3.293 3.724 . 0 0 "[ . 1 . 2]" 1
571 1 49 LYS HA 1 49 LYS HG2 3.350 . 3.850 3.141 2.961 3.248 . 0 0 "[ . 1 . 2]" 1
572 1 49 LYS HA 1 49 LYS HG3 3.590 . 4.130 2.661 2.545 2.819 . 0 0 "[ . 1 . 2]" 1
573 1 49 LYS HA 1 49 LYS HE2 5.530 . 6.360 5.006 4.291 6.090 . 0 0 "[ . 1 . 2]" 1
574 1 49 LYS HA 1 49 LYS HE3 5.530 . 6.360 5.000 4.346 5.489 . 0 0 "[ . 1 . 2]" 1
575 1 49 LYS H 1 49 LYS HE2 6.000 . 6.900 5.056 4.150 6.767 . 0 0 "[ . 1 . 2]" 1
576 1 49 LYS H 1 49 LYS HE3 6.000 . 6.900 5.127 4.250 6.700 . 0 0 "[ . 1 . 2]" 1
577 1 50 LYS HA 1 50 LYS HG2 4.190 . 4.820 3.228 2.472 3.827 . 0 0 "[ . 1 . 2]" 1
578 1 50 LYS HA 1 50 LYS HD2 5.280 . 6.070 4.699 3.656 4.935 . 0 0 "[ . 1 . 2]" 1
579 1 50 LYS HA 1 50 LYS HD3 5.280 . 6.070 4.395 2.078 5.025 . 0 0 "[ . 1 . 2]" 1
580 1 49 LYS HG2 1 50 LYS H 4.890 . 5.620 3.986 3.404 4.533 . 0 0 "[ . 1 . 2]" 1
581 1 50 LYS HA 1 50 LYS HG3 4.190 . 4.820 2.658 2.497 3.317 . 0 0 "[ . 1 . 2]" 1
582 1 57 ARG HB2 1 57 ARG HD2 4.150 . 4.770 3.296 2.387 3.858 . 0 0 "[ . 1 . 2]" 1
583 1 57 ARG HB2 1 57 ARG HD3 4.150 . 4.770 3.317 2.462 4.254 . 0 0 "[ . 1 . 2]" 1
584 1 57 ARG HB3 1 57 ARG HD2 4.150 . 4.770 3.045 2.458 3.840 . 0 0 "[ . 1 . 2]" 1
585 1 57 ARG HB3 1 57 ARG HD3 4.150 . 4.770 3.231 2.408 3.776 . 0 0 "[ . 1 . 2]" 1
586 1 60 ILE H 1 95 THR MG 3.530 . 4.060 2.995 2.551 4.085 0.025 13 0 "[ . 1 . 2]" 1
587 1 58 THR HA 1 58 THR MG 3.350 . 3.850 2.396 2.337 2.452 . 0 0 "[ . 1 . 2]" 1
588 1 60 ILE HA 1 60 ILE HG12 3.620 . 4.160 2.577 2.476 2.673 . 0 0 "[ . 1 . 2]" 1
589 1 60 ILE HA 1 60 ILE MG 3.350 . 3.850 2.524 2.468 2.583 . 0 0 "[ . 1 . 2]" 1
590 1 60 ILE HA 1 60 ILE HG13 4.080 . 4.690 3.102 3.039 3.152 . 0 0 "[ . 1 . 2]" 1
591 1 60 ILE HG12 1 60 ILE MG 3.380 . 3.890 2.490 2.453 2.535 . 0 0 "[ . 1 . 2]" 1
592 1 60 ILE H 1 60 ILE MD 4.700 . 5.400 4.083 3.862 4.274 . 0 0 "[ . 1 . 2]" 1
593 1 60 ILE HA 1 60 ILE MD 4.540 . 5.220 3.880 3.821 3.932 . 0 0 "[ . 1 . 2]" 1
594 1 61 THR H 1 61 THR HB 3.940 . 4.530 2.551 2.435 2.632 . 0 0 "[ . 1 . 2]" 1
595 1 61 THR H 1 61 THR MG 4.530 . 5.210 3.797 3.757 3.836 . 0 0 "[ . 1 . 2]" 1
596 1 61 THR HA 1 61 THR MG 3.240 . 3.730 2.455 2.402 2.533 . 0 0 "[ . 1 . 2]" 1
597 1 63 ARG HA 1 63 ARG HD2 5.270 . 6.060 4.506 4.010 5.200 . 0 0 "[ . 1 . 2]" 1
598 1 63 ARG HA 1 63 ARG HD3 5.270 . 6.060 4.796 3.497 5.597 . 0 0 "[ . 1 . 2]" 1
599 1 64 THR HA 1 64 THR MG 2.910 . 3.350 2.418 2.284 2.540 . 0 0 "[ . 1 . 2]" 1
600 1 66 LYS HA 1 66 LYS HG2 3.850 . 4.430 2.954 2.457 3.838 . 0 0 "[ . 1 . 2]" 1
601 1 66 LYS HA 1 66 LYS HG3 3.850 . 4.430 3.218 2.573 3.881 . 0 0 "[ . 1 . 2]" 1
602 1 66 LYS HA 1 66 LYS HE2 6.000 . 6.900 5.091 2.978 6.352 . 0 0 "[ . 1 . 2]" 1
603 1 66 LYS HA 1 66 LYS HE3 6.000 . 6.900 4.950 3.800 6.250 . 0 0 "[ . 1 . 2]" 1
604 1 66 LYS H 1 66 LYS HB2 4.020 . 4.620 2.536 2.367 2.701 . 0 0 "[ . 1 . 2]" 1
605 1 66 LYS HA 1 66 LYS HD2 5.440 . 6.260 4.045 2.097 4.987 . 0 0 "[ . 1 . 2]" 1
606 1 66 LYS HA 1 66 LYS HD3 5.440 . 6.260 3.999 2.039 4.787 . 0 0 "[ . 1 . 2]" 1
607 1 67 GLU HA 1 67 GLU HG2 3.750 . 4.310 3.153 2.488 3.773 . 0 0 "[ . 1 . 2]" 1
608 1 67 GLU HA 1 67 GLU HG3 3.750 . 4.310 2.822 2.464 3.167 . 0 0 "[ . 1 . 2]" 1
609 1 69 GLU HA 1 69 GLU HG2 3.920 . 4.510 3.120 2.646 3.813 . 0 0 "[ . 1 . 2]" 1
610 1 69 GLU HA 1 69 GLU HG3 3.920 . 4.510 3.645 2.614 3.842 . 0 0 "[ . 1 . 2]" 1
611 1 70 LYS HA 1 70 LYS HG3 4.060 . 4.670 3.808 2.747 3.945 . 0 0 "[ . 1 . 2]" 1
612 1 70 LYS HB3 1 70 LYS HD2 3.470 . 3.990 2.565 2.358 3.073 . 0 0 "[ . 1 . 2]" 1
613 1 70 LYS HB3 1 70 LYS HD3 3.860 . 4.440 3.655 2.498 3.782 . 0 0 "[ . 1 . 2]" 1
614 1 70 LYS HB3 1 70 LYS HE2 5.460 . 6.280 3.684 2.462 4.534 . 0 0 "[ . 1 . 2]" 1
615 1 70 LYS HB3 1 70 LYS HE3 5.460 . 6.280 3.568 2.777 4.710 . 0 0 "[ . 1 . 2]" 1
616 1 70 LYS H 1 70 LYS HB2 3.630 . 4.170 3.579 2.483 3.663 . 0 0 "[ . 1 . 2]" 1
617 1 70 LYS HA 1 70 LYS HG2 3.810 . 4.380 3.746 3.205 3.849 . 0 0 "[ . 1 . 2]" 1
618 1 70 LYS HD3 1 70 LYS HG2 2.470 . 2.840 2.448 2.333 2.546 . 0 0 "[ . 1 . 2]" 1
619 1 70 LYS HA 1 70 LYS HD2 4.860 . 5.590 4.851 4.687 5.045 . 0 0 "[ . 1 . 2]" 1
620 1 70 LYS HB2 1 70 LYS HD2 3.180 . 3.660 3.200 2.606 3.506 . 0 0 "[ . 1 . 2]" 1
621 1 70 LYS HB2 1 70 LYS HD3 3.790 . 4.360 3.788 3.127 3.990 . 0 0 "[ . 1 . 2]" 1
622 1 71 PHE HB3 1 71 PHE HE1 5.290 . 6.080 5.166 5.026 5.333 . 0 0 "[ . 1 . 2]" 1
623 1 74 ILE HA 1 74 ILE HG12 3.330 . 3.830 2.685 2.613 2.757 . 0 0 "[ . 1 . 2]" 1
624 1 74 ILE HA 1 74 ILE HG13 3.330 . 3.830 3.096 2.984 3.213 . 0 0 "[ . 1 . 2]" 1
625 1 74 ILE HA 1 74 ILE MG 2.990 . 3.440 2.452 2.382 2.500 . 0 0 "[ . 1 . 2]" 1
626 1 74 ILE HB 1 74 ILE MD 3.330 . 3.830 2.454 2.416 2.486 . 0 0 "[ . 1 . 2]" 1
627 1 74 ILE H 1 74 ILE MG 3.770 . 4.340 3.818 3.791 3.836 . 0 0 "[ . 1 . 2]" 1
628 1 74 ILE HG12 1 74 ILE MG 3.460 . 3.980 2.431 2.382 2.465 . 0 0 "[ . 1 . 2]" 1
629 1 74 ILE HG13 1 74 ILE MG 3.460 . 3.980 3.251 3.240 3.259 . 0 0 "[ . 1 . 2]" 1
630 1 38 GLN HA 1 74 ILE MD 4.680 . 5.380 3.787 2.759 4.601 . 0 0 "[ . 1 . 2]" 1
631 1 75 LEU HA 1 75 LEU QD . . 3.510 2.077 1.877 2.509 . 0 0 "[ . 1 . 2]" 1
632 1 75 LEU HB3 1 76 ILE MD 4.420 . 5.080 3.193 2.553 3.877 . 0 0 "[ . 1 . 2]" 1
633 1 72 ALA HA 1 75 LEU HB2 4.120 . 4.740 3.149 2.352 3.885 . 0 0 "[ . 1 . 2]" 1
634 1 75 LEU H 1 75 LEU HG 4.630 . 5.320 3.849 2.542 4.603 . 0 0 "[ . 1 . 2]" 1
635 1 75 LEU H 1 75 LEU QD 4.360 . 5.010 3.599 3.162 3.828 . 0 0 "[ . 1 . 2]" 1
636 1 58 THR HB 1 75 LEU QD 3.190 . 3.670 1.993 1.646 2.480 0.154 9 0 "[ . 1 . 2]" 1
637 1 76 ILE HA 1 76 ILE HG13 4.040 . 4.650 2.518 2.416 2.610 . 0 0 "[ . 1 . 2]" 1
638 1 76 ILE HA 1 76 ILE MD 3.490 . 4.010 2.433 2.253 2.704 . 0 0 "[ . 1 . 2]" 1
639 1 76 ILE H 1 76 ILE MG 4.050 . 4.660 3.673 3.623 3.731 . 0 0 "[ . 1 . 2]" 1
640 1 76 ILE HA 1 76 ILE MG 3.160 . 3.630 2.816 2.751 2.900 . 0 0 "[ . 1 . 2]" 1
641 1 76 ILE MD 1 76 ILE MG 3.270 . 3.760 3.305 3.282 3.318 . 0 0 "[ . 1 . 2]" 1
642 1 76 ILE H 1 76 ILE HG12 4.310 . 4.960 4.112 4.010 4.261 . 0 0 "[ . 1 . 2]" 1
643 1 76 ILE HA 1 76 ILE HG12 4.040 . 4.650 3.689 3.667 3.713 . 0 0 "[ . 1 . 2]" 1
644 1 76 ILE HB 1 76 ILE MD 2.990 . 3.440 2.530 2.455 2.599 . 0 0 "[ . 1 . 2]" 1
645 1 77 LYS HA 1 77 LYS HG2 3.580 . 4.120 3.151 2.513 3.872 . 0 0 "[ . 1 . 2]" 1
646 1 77 LYS HA 1 77 LYS HG3 3.580 . 4.120 2.899 2.358 3.783 . 0 0 "[ . 1 . 2]" 1
647 1 77 LYS HA 1 77 LYS HD2 5.170 . 5.950 3.960 2.134 4.933 . 0 0 "[ . 1 . 2]" 1
648 1 77 LYS HA 1 77 LYS HD3 5.170 . 5.950 4.305 2.810 4.773 . 0 0 "[ . 1 . 2]" 1
649 1 77 LYS H 1 77 LYS HE2 6.000 . 6.900 4.475 2.198 5.361 . 0 0 "[ . 1 . 2]" 1
650 1 77 LYS H 1 77 LYS HE3 6.000 . 6.900 4.877 2.883 5.764 . 0 0 "[ . 1 . 2]" 1
651 1 77 LYS HB2 1 77 LYS HE2 5.310 . 6.110 3.503 2.839 4.763 . 0 0 "[ . 1 . 2]" 1
652 1 77 LYS HB2 1 77 LYS HE3 5.310 . 6.110 4.199 2.254 5.128 . 0 0 "[ . 1 . 2]" 1
653 1 78 VAL HA 1 78 VAL QG . . 3.080 2.198 2.187 2.208 . 0 0 "[ . 1 . 2]" 1
654 1 78 VAL H 1 78 VAL HB 3.340 . 3.840 2.499 2.418 2.595 . 0 0 "[ . 1 . 2]" 1
655 1 81 GLU HA 1 81 GLU HG2 3.720 . 4.280 2.747 2.552 3.425 . 0 0 "[ . 1 . 2]" 1
656 1 81 GLU H 1 81 GLU HB3 3.590 . 4.130 3.608 3.577 3.641 . 0 0 "[ . 1 . 2]" 1
657 1 81 GLU HA 1 81 GLU HG3 3.720 . 4.280 3.283 2.979 3.890 . 0 0 "[ . 1 . 2]" 1
658 1 82 LEU HA 1 82 LEU HG 4.110 . 4.730 3.158 3.013 3.305 . 0 0 "[ . 1 . 2]" 1
659 1 82 LEU H 1 82 LEU MD1 3.930 . 4.520 3.739 3.600 3.904 . 0 0 "[ . 1 . 2]" 1
660 1 82 LEU HA 1 82 LEU MD1 4.050 . 4.660 3.929 3.894 3.966 . 0 0 "[ . 1 . 2]" 1
661 1 82 LEU H 1 82 LEU MD2 3.930 . 4.520 3.445 3.199 3.636 . 0 0 "[ . 1 . 2]" 1
662 1 82 LEU HA 1 82 LEU MD2 4.050 . 4.660 2.080 2.030 2.149 . 0 0 "[ . 1 . 2]" 1
663 1 84 TYR H 1 84 TYR HD2 6.000 . 6.900 4.699 2.931 5.816 . 0 0 "[ . 1 . 2]" 1
664 1 87 ILE HA 1 87 ILE MD 3.670 . 4.220 2.205 2.079 2.340 . 0 0 "[ . 1 . 2]" 1
665 1 87 ILE HB 1 87 ILE MD 3.380 . 3.890 3.281 3.266 3.293 . 0 0 "[ . 1 . 2]" 1
666 1 87 ILE HA 1 87 ILE MG 3.410 . 3.920 2.457 2.377 2.605 . 0 0 "[ . 1 . 2]" 1
667 1 87 ILE MD 1 87 ILE MG 2.650 . 3.050 2.095 2.043 2.182 . 0 0 "[ . 1 . 2]" 1
668 1 89 VAL HA 1 89 VAL MG1 3.500 . 4.030 2.874 2.358 3.281 . 0 0 "[ . 1 . 2]" 1
669 1 89 VAL HA 1 89 VAL MG2 3.500 . 4.030 2.502 2.331 2.598 . 0 0 "[ . 1 . 2]" 1
670 1 90 THR H 1 90 THR HB 3.710 . 4.270 2.686 2.505 2.856 . 0 0 "[ . 1 . 2]" 1
671 1 90 THR HA 1 90 THR MG 3.530 . 4.060 2.448 2.381 2.506 . 0 0 "[ . 1 . 2]" 1
672 1 91 TRP HB3 1 91 TRP HZ3 5.010 . 5.760 4.909 4.820 5.048 . 0 0 "[ . 1 . 2]" 1
673 1 91 TRP HB2 1 91 TRP HZ3 6.000 . 6.900 5.909 5.496 6.328 . 0 0 "[ . 1 . 2]" 1
674 1 94 ASP H 1 94 ASP HB3 4.110 . 4.730 3.351 2.462 4.140 . 0 0 "[ . 1 . 2]" 1
675 1 95 THR H 1 95 THR HB 4.030 . 4.630 3.013 2.731 3.910 . 0 0 "[ . 1 . 2]" 1
676 1 95 THR H 1 95 THR MG 4.510 . 5.190 3.888 3.149 4.049 . 0 0 "[ . 1 . 2]" 1
677 1 95 THR HA 1 95 THR MG 3.140 . 3.610 2.426 2.317 2.513 . 0 0 "[ . 1 . 2]" 1
678 1 58 THR H 1 97 THR MG 3.960 . 4.550 4.020 3.352 4.546 . 0 0 "[ . 1 . 2]" 1
679 1 97 THR HA 1 97 THR MG 3.430 . 3.940 2.461 2.349 2.582 . 0 0 "[ . 1 . 2]" 1
680 1 76 ILE H 1 98 VAL MG2 5.030 . 5.780 3.905 3.429 4.463 . 0 0 "[ . 1 . 2]" 1
681 1 105 VAL HA 1 105 VAL MG1 3.460 . 3.980 2.548 2.328 3.278 . 0 0 "[ . 1 . 2]" 1
682 1 105 VAL HA 1 105 VAL MG2 3.460 . 3.980 2.828 2.392 3.290 . 0 0 "[ . 1 . 2]" 1
683 1 13 GLN HB2 1 14 VAL H 4.370 . 5.030 4.325 4.143 4.501 . 0 0 "[ . 1 . 2]" 1
684 1 13 GLN HB3 1 14 VAL H 4.370 . 5.030 4.244 3.126 4.491 . 0 0 "[ . 1 . 2]" 1
685 1 15 GLN HB3 1 16 ASN H 5.040 . 5.800 3.976 2.822 4.441 . 0 0 "[ . 1 . 2]" 1
686 1 15 GLN HG2 1 16 ASN H 4.850 . 5.580 3.927 3.053 5.287 . 0 0 "[ . 1 . 2]" 1
687 1 15 GLN HG3 1 16 ASN H 4.850 . 5.580 4.141 3.182 5.348 . 0 0 "[ . 1 . 2]" 1
688 1 28 THR HB 1 29 TYR H 4.020 . 4.620 4.251 4.140 4.377 . 0 0 "[ . 1 . 2]" 1
689 1 30 THR HB 1 31 VAL H 4.200 . 4.830 4.370 4.118 4.442 . 0 0 "[ . 1 . 2]" 1
690 1 30 THR MG 1 31 VAL H 3.730 . 4.290 3.176 2.607 3.324 . 0 0 "[ . 1 . 2]" 1
691 1 32 THR HA 1 33 THR H 3.510 . 4.040 3.364 3.131 3.517 . 0 0 "[ . 1 . 2]" 1
692 1 32 THR HB 1 33 THR H 4.520 . 5.200 4.307 4.074 4.507 . 0 0 "[ . 1 . 2]" 1
693 1 35 SER HB3 1 36 GLU H 4.410 . 5.070 3.858 3.712 3.996 . 0 0 "[ . 1 . 2]" 1
694 1 38 GLN HG3 1 39 LYS H 5.070 . 5.830 4.636 4.169 5.148 . 0 0 "[ . 1 . 2]" 1
695 1 39 LYS HB2 1 40 VAL H 4.280 . 4.920 3.151 2.372 4.171 . 0 0 "[ . 1 . 2]" 1
696 1 39 LYS HB3 1 40 VAL H 4.280 . 4.920 3.741 3.372 4.175 . 0 0 "[ . 1 . 2]" 1
697 1 39 LYS HD2 1 40 VAL H 6.000 . 6.900 5.531 4.414 6.382 . 0 0 "[ . 1 . 2]" 1
698 1 39 LYS HD3 1 40 VAL H 6.000 . 6.900 5.269 4.533 6.348 . 0 0 "[ . 1 . 2]" 1
699 1 40 VAL MG2 1 41 LEU H 4.700 . 5.400 3.648 2.359 4.153 . 0 0 "[ . 1 . 2]" 1
700 1 41 LEU HB3 1 42 ASN H 4.660 . 5.360 3.781 3.515 3.959 . 0 0 "[ . 1 . 2]" 1
701 1 41 LEU MD2 1 42 ASN H 5.130 . 5.900 4.752 4.697 4.822 . 0 0 "[ . 1 . 2]" 1
702 1 44 LEU MD1 1 45 LYS H 5.040 . 5.800 4.716 4.448 4.963 . 0 0 "[ . 1 . 2]" 1
703 1 44 LEU MD2 1 45 LYS H 5.040 . 5.800 3.606 2.372 4.580 . 0 0 "[ . 1 . 2]" 1
704 1 45 LYS HB3 1 46 ASP H 4.120 . 4.740 2.528 2.377 2.755 . 0 0 "[ . 1 . 2]" 1
705 1 45 LYS HG3 1 46 ASP H 5.180 . 5.960 4.679 4.510 4.894 . 0 0 "[ . 1 . 2]" 1
706 1 45 LYS HE2 1 46 ASP H 5.210 . 5.990 4.242 3.698 5.619 . 0 0 "[ . 1 . 2]" 1
707 1 45 LYS HE3 1 46 ASP H 5.210 . 5.990 4.473 4.034 5.073 . 0 0 "[ . 1 . 2]" 1
708 1 46 ASP HB3 1 47 TYR H 3.980 . 4.580 2.919 2.547 4.072 . 0 0 "[ . 1 . 2]" 1
709 1 48 ILE HG12 1 49 LYS H 5.160 . 5.930 5.017 4.880 5.138 . 0 0 "[ . 1 . 2]" 1
710 1 57 ARG HB2 1 58 THR H 4.710 . 5.420 4.341 3.101 4.651 . 0 0 "[ . 1 . 2]" 1
711 1 57 ARG HB3 1 58 THR H 4.710 . 5.420 4.291 3.575 4.536 . 0 0 "[ . 1 . 2]" 1
712 1 57 ARG HD2 1 58 THR H 6.000 . 6.900 5.806 3.714 6.933 0.033 1 0 "[ . 1 . 2]" 1
713 1 57 ARG HD3 1 58 THR H 6.000 . 6.900 5.728 3.876 6.952 0.052 18 0 "[ . 1 . 2]" 1
714 1 59 SER HB2 1 60 ILE H 4.540 . 5.220 4.005 3.405 4.425 . 0 0 "[ . 1 . 2]" 1
715 1 59 SER HB3 1 60 ILE H 4.540 . 5.220 3.917 3.447 4.298 . 0 0 "[ . 1 . 2]" 1
716 1 60 ILE HA 1 61 THR H 3.460 . 3.980 2.244 2.199 2.323 . 0 0 "[ . 1 . 2]" 1
717 1 60 ILE MG 1 61 THR H 4.010 . 4.610 2.620 2.411 2.905 . 0 0 "[ . 1 . 2]" 1
718 1 60 ILE HG12 1 61 THR H 5.030 . 5.780 4.426 4.209 4.591 . 0 0 "[ . 1 . 2]" 1
719 1 61 THR HB 1 62 ALA H 4.440 . 5.110 4.324 4.125 4.411 . 0 0 "[ . 1 . 2]" 1
720 1 65 LYS HB3 1 66 LYS H 3.960 . 4.550 3.731 2.616 4.138 . 0 0 "[ . 1 . 2]" 1
721 1 65 LYS HD2 1 66 LYS H 6.000 . 6.900 5.283 4.394 6.027 . 0 0 "[ . 1 . 2]" 1
722 1 65 LYS HD3 1 66 LYS H 6.000 . 6.900 5.399 4.283 6.566 . 0 0 "[ . 1 . 2]" 1
723 1 66 LYS HD2 1 67 GLU H 6.000 . 6.900 5.469 4.669 6.490 . 0 0 "[ . 1 . 2]" 1
724 1 66 LYS HD3 1 67 GLU H 6.000 . 6.900 5.310 4.273 6.209 . 0 0 "[ . 1 . 2]" 1
725 1 67 GLU HG3 1 68 ALA H 5.300 . 6.100 4.776 4.238 5.371 . 0 0 "[ . 1 . 2]" 1
726 1 69 GLU HG2 1 70 LYS H 5.140 . 5.910 4.297 2.563 5.013 . 0 0 "[ . 1 . 2]" 1
727 1 69 GLU HG3 1 70 LYS H 5.140 . 5.910 4.707 2.750 5.069 . 0 0 "[ . 1 . 2]" 1
728 1 70 LYS HB2 1 71 PHE H 4.050 . 4.660 3.820 3.628 4.191 . 0 0 "[ . 1 . 2]" 1
729 1 70 LYS HE2 1 71 PHE H 6.000 . 6.900 5.411 4.580 6.118 . 0 0 "[ . 1 . 2]" 1
730 1 70 LYS HE3 1 71 PHE H 6.000 . 6.900 5.503 4.670 6.670 . 0 0 "[ . 1 . 2]" 1
731 1 71 PHE HA 1 72 ALA H 3.550 . 4.080 3.528 3.422 3.557 . 0 0 "[ . 1 . 2]" 1
732 1 71 PHE HD1 1 72 ALA H 5.200 . 5.980 5.003 4.809 5.225 . 0 0 "[ . 1 . 2]" 1
733 1 74 ILE HG12 1 75 LEU H 5.390 . 6.200 5.044 4.968 5.159 . 0 0 "[ . 1 . 2]" 1
734 1 74 ILE HG13 1 75 LEU H 5.390 . 6.200 4.205 4.070 4.408 . 0 0 "[ . 1 . 2]" 1
735 1 74 ILE MD 1 75 LEU H 4.860 . 5.590 4.620 4.470 4.728 . 0 0 "[ . 1 . 2]" 1
736 1 75 LEU HB2 1 76 ILE H 5.150 . 5.920 3.575 2.751 4.091 . 0 0 "[ . 1 . 2]" 1
737 1 76 ILE MD 1 77 LYS H 4.560 . 5.240 4.372 4.318 4.452 . 0 0 "[ . 1 . 2]" 1
738 1 51 GLN H 1 51 GLN HG2 4.310 . 4.960 3.145 1.967 4.503 . 0 0 "[ . 1 . 2]" 1
739 1 77 LYS HB3 1 78 VAL H 3.750 . 4.310 3.480 2.533 3.821 . 0 0 "[ . 1 . 2]" 1
740 1 77 LYS HG2 1 78 VAL H 5.210 . 5.990 5.034 4.440 5.441 . 0 0 "[ . 1 . 2]" 1
741 1 77 LYS HD2 1 78 VAL H 6.000 . 6.900 5.651 4.630 6.430 . 0 0 "[ . 1 . 2]" 1
742 1 77 LYS HD3 1 78 VAL H 6.000 . 6.900 5.495 4.879 6.419 . 0 0 "[ . 1 . 2]" 1
743 1 77 LYS HE2 1 78 VAL H 6.000 . 6.900 5.579 4.731 6.950 0.050 13 0 "[ . 1 . 2]" 1
744 1 77 LYS HE3 1 78 VAL H 6.000 . 6.900 6.434 4.882 7.039 0.139 13 0 "[ . 1 . 2]" 1
745 1 81 GLU HB2 1 82 LEU H 3.620 . 4.160 2.871 2.534 3.161 . 0 0 "[ . 1 . 2]" 1
746 1 81 GLU HB3 1 82 LEU H 4.110 . 4.730 3.856 3.506 4.168 . 0 0 "[ . 1 . 2]" 1
747 1 81 GLU HG3 1 82 LEU H 5.540 . 6.370 4.587 4.311 5.334 . 0 0 "[ . 1 . 2]" 1
748 1 94 ASP HB2 1 95 THR H 4.890 . 5.620 3.948 2.827 4.439 . 0 0 "[ . 1 . 2]" 1
749 1 94 ASP HB3 1 95 THR H 4.890 . 5.620 3.969 2.797 4.494 . 0 0 "[ . 1 . 2]" 1
750 1 95 THR HA 1 96 VAL H 3.400 . 3.910 2.239 2.204 2.313 . 0 0 "[ . 1 . 2]" 1
751 1 95 THR HB 1 96 VAL H 4.130 . 4.750 3.999 2.925 4.339 . 0 0 "[ . 1 . 2]" 1
752 1 95 THR MG 1 96 VAL H 3.760 . 4.320 2.863 2.342 3.881 . 0 0 "[ . 1 . 2]" 1
753 1 96 VAL HB 1 97 THR H 6.000 . 6.900 3.989 2.869 4.466 . 0 0 "[ . 1 . 2]" 1
754 1 97 THR HB 1 98 VAL H 4.500 . 5.180 4.292 3.967 4.450 . 0 0 "[ . 1 . 2]" 1
755 1 102 LEU HB2 1 103 GLU H 6.000 . 6.900 4.184 2.569 4.564 . 0 0 "[ . 1 . 2]" 1
756 1 102 LEU HB3 1 103 GLU H 6.000 . 6.900 4.087 2.874 4.481 . 0 0 "[ . 1 . 2]" 1
757 1 102 LEU HG 1 103 GLU H 5.900 . 6.790 3.969 2.978 5.331 . 0 0 "[ . 1 . 2]" 1
758 1 102 LEU MD1 1 103 GLU H 6.000 . 6.900 3.872 2.299 5.546 . 0 0 "[ . 1 . 2]" 1
759 1 34 GLU HA 1 37 LEU H 4.220 . 4.850 3.176 2.854 3.553 . 0 0 "[ . 1 . 2]" 1
760 1 34 GLU HA 1 37 LEU HG 5.670 . 6.520 4.637 2.540 5.613 . 0 0 "[ . 1 . 2]" 1
761 1 37 LEU HA 1 40 VAL H 3.950 . 4.540 3.614 3.311 3.850 . 0 0 "[ . 1 . 2]" 1
762 1 37 LEU HA 1 40 VAL HB 4.440 . 5.110 3.513 2.082 5.119 0.009 1 0 "[ . 1 . 2]" 1
763 1 37 LEU HA 1 41 LEU H 4.840 . 5.570 4.164 3.516 4.474 . 0 0 "[ . 1 . 2]" 1
764 1 38 GLN HA 1 41 LEU HB2 3.900 . 4.490 3.122 2.707 3.815 . 0 0 "[ . 1 . 2]" 1
765 1 38 GLN HA 1 41 LEU HB3 4.860 . 5.590 4.746 4.320 5.471 . 0 0 "[ . 1 . 2]" 1
766 1 38 GLN HA 1 42 ASN H 5.520 . 6.350 4.498 4.000 5.551 . 0 0 "[ . 1 . 2]" 1
767 1 39 LYS HA 1 41 LEU H 4.950 . 5.690 4.513 4.203 5.255 . 0 0 "[ . 1 . 2]" 1
768 1 40 VAL HA 1 43 GLU HB2 4.250 . 4.890 3.403 2.605 4.325 . 0 0 "[ . 1 . 2]" 1
769 1 40 VAL HA 1 43 GLU HB3 4.250 . 4.890 3.711 2.528 5.064 0.174 12 0 "[ . 1 . 2]" 1
770 1 41 LEU HA 1 43 GLU H 4.990 . 5.740 4.426 4.132 4.885 . 0 0 "[ . 1 . 2]" 1
771 1 41 LEU HA 1 44 LEU H 4.080 . 4.690 3.391 3.170 3.737 . 0 0 "[ . 1 . 2]" 1
772 1 41 LEU HA 1 44 LEU QB 3.300 . 3.800 2.218 1.904 3.572 . 0 0 "[ . 1 . 2]" 1
773 1 41 LEU HA 1 45 LYS H 4.090 . 4.700 3.795 3.650 4.032 . 0 0 "[ . 1 . 2]" 1
774 1 42 ASN HA 1 44 LEU H 4.840 . 5.570 4.600 4.241 4.993 . 0 0 "[ . 1 . 2]" 1
775 1 42 ASN HA 1 45 LYS HB2 3.780 . 4.350 3.373 2.968 3.849 . 0 0 "[ . 1 . 2]" 1
776 1 42 ASN HA 1 45 LYS HB3 3.610 . 4.150 3.022 2.366 3.370 . 0 0 "[ . 1 . 2]" 1
777 1 43 GLU HA 1 45 LYS H 5.340 . 6.140 4.392 4.272 4.529 . 0 0 "[ . 1 . 2]" 1
778 1 43 GLU HA 1 46 ASP H 4.630 . 5.320 3.620 3.261 4.341 . 0 0 "[ . 1 . 2]" 1
779 1 43 GLU HA 1 47 TYR H 4.930 . 5.670 4.807 4.311 5.760 0.090 6 0 "[ . 1 . 2]" 1
780 1 44 LEU HA 1 47 TYR HB2 3.910 . 4.500 2.724 2.211 3.345 . 0 0 "[ . 1 . 2]" 1
781 1 44 LEU HA 1 48 ILE H 4.790 . 5.510 4.306 3.933 4.467 . 0 0 "[ . 1 . 2]" 1
782 1 45 LYS HA 1 48 ILE H 4.670 . 5.370 3.679 3.490 3.951 . 0 0 "[ . 1 . 2]" 1
783 1 45 LYS HA 1 48 ILE HB 3.670 . 4.220 3.066 2.730 3.398 . 0 0 "[ . 1 . 2]" 1
784 1 45 LYS HA 1 49 LYS H 4.480 . 5.150 4.246 4.011 4.517 . 0 0 "[ . 1 . 2]" 1
785 1 46 ASP HA 1 49 LYS H 3.900 . 4.490 3.616 3.126 3.988 . 0 0 "[ . 1 . 2]" 1
786 1 46 ASP HA 1 49 LYS HB2 3.780 . 4.350 3.409 2.944 3.921 . 0 0 "[ . 1 . 2]" 1
787 1 46 ASP HA 1 49 LYS HB3 3.930 . 4.520 2.695 2.082 3.175 . 0 0 "[ . 1 . 2]" 1
788 1 46 ASP HA 1 50 LYS H 4.480 . 5.150 4.309 3.659 5.041 . 0 0 "[ . 1 . 2]" 1
789 1 47 TYR HA 1 50 LYS HB2 3.970 . 4.570 3.493 2.685 4.522 . 0 0 "[ . 1 . 2]" 1
790 1 47 TYR HA 1 50 LYS HB3 3.970 . 4.570 3.010 2.338 4.655 0.085 20 0 "[ . 1 . 2]" 1
791 1 48 ILE HA 1 50 LYS H 4.730 . 5.440 4.321 4.001 4.791 . 0 0 "[ . 1 . 2]" 1
792 1 66 LYS HA 1 68 ALA H 4.730 . 5.440 4.366 4.122 4.581 . 0 0 "[ . 1 . 2]" 1
793 1 66 LYS HA 1 69 GLU HB2 4.020 . 4.620 3.168 2.600 4.918 0.298 19 0 "[ . 1 . 2]" 1
794 1 66 LYS HA 1 69 GLU HB3 4.020 . 4.620 4.505 2.965 4.798 0.178 18 0 "[ . 1 . 2]" 1
795 1 67 GLU HA 1 70 LYS HB3 4.350 . 5.000 4.292 1.940 4.888 . 0 0 "[ . 1 . 2]" 1
796 1 67 GLU HA 1 70 LYS HB2 4.960 . 5.700 4.854 2.956 5.333 . 0 0 "[ . 1 . 2]" 1
797 1 68 ALA HA 1 70 LYS H 6.000 . 6.900 4.798 4.443 4.968 . 0 0 "[ . 1 . 2]" 1
798 1 68 ALA HA 1 71 PHE HB2 4.560 . 5.240 3.784 3.129 4.208 . 0 0 "[ . 1 . 2]" 1
799 1 69 GLU HA 1 72 ALA MB 3.390 . 3.900 3.137 2.645 3.560 . 0 0 "[ . 1 . 2]" 1
800 1 70 LYS HA 1 73 ALA MB 3.320 . 3.820 2.823 2.472 3.719 . 0 0 "[ . 1 . 2]" 1
801 1 71 PHE HA 1 71 PHE HE1 5.410 . 6.220 4.516 4.386 4.640 . 0 0 "[ . 1 . 2]" 1
802 1 71 PHE HA 1 74 ILE HB 3.720 . 4.280 3.185 2.783 3.894 . 0 0 "[ . 1 . 2]" 1
803 1 72 ALA HA 1 75 LEU H 4.550 . 5.230 3.531 3.294 3.738 . 0 0 "[ . 1 . 2]" 1
804 1 72 ALA HA 1 75 LEU HB3 4.290 . 4.930 3.307 2.578 4.504 . 0 0 "[ . 1 . 2]" 1
805 1 72 ALA HA 1 76 ILE H 4.490 . 5.160 4.202 3.998 4.436 . 0 0 "[ . 1 . 2]" 1
806 1 73 ALA HA 1 76 ILE HB 3.490 . 4.010 2.727 2.332 2.995 . 0 0 "[ . 1 . 2]" 1
807 1 73 ALA HA 1 77 LYS H 4.740 . 5.450 4.419 4.290 4.547 . 0 0 "[ . 1 . 2]" 1
808 1 74 ILE HA 1 77 LYS HB2 3.330 . 3.830 2.853 2.532 3.202 . 0 0 "[ . 1 . 2]" 1
809 1 74 ILE HA 1 77 LYS HB3 4.750 . 5.460 4.311 2.802 4.703 . 0 0 "[ . 1 . 2]" 1
810 1 74 ILE HA 1 78 VAL H 5.210 . 5.990 4.412 4.139 4.682 . 0 0 "[ . 1 . 2]" 1
811 1 75 LEU HA 1 78 VAL HB 3.590 . 4.130 2.492 2.033 2.914 . 0 0 "[ . 1 . 2]" 1
812 1 76 ILE HA 1 79 TYR HB2 4.880 . 5.610 2.849 2.404 3.292 . 0 0 "[ . 1 . 2]" 1
813 1 76 ILE HA 1 79 TYR HB3 4.880 . 5.610 4.329 3.880 4.729 . 0 0 "[ . 1 . 2]" 1
814 1 77 LYS HA 1 80 ALA MB 3.100 . 3.570 2.317 2.055 2.784 . 0 0 "[ . 1 . 2]" 1
815 1 78 VAL HA 1 80 ALA H 4.880 . 5.610 4.325 4.146 4.540 . 0 0 "[ . 1 . 2]" 1
816 1 78 VAL HA 1 81 GLU H 4.140 . 4.760 3.809 3.505 4.160 . 0 0 "[ . 1 . 2]" 1
817 1 78 VAL HA 1 81 GLU HB2 3.930 . 4.520 3.335 2.873 3.742 . 0 0 "[ . 1 . 2]" 1
818 1 78 VAL HA 1 81 GLU HB3 4.620 . 5.310 4.912 4.292 5.292 . 0 0 "[ . 1 . 2]" 1
819 1 12 ILE HA 1 31 VAL H 5.430 . 6.240 5.067 4.835 5.253 . 0 0 "[ . 1 . 2]" 1
820 1 12 ILE MD 1 31 VAL H 5.430 . 6.240 4.999 4.619 5.578 . 0 0 "[ . 1 . 2]" 1
821 1 12 ILE MD 1 37 LEU H 5.080 . 5.840 4.208 3.674 4.705 . 0 0 "[ . 1 . 2]" 1
822 1 12 ILE MD 1 33 THR H 4.360 . 5.010 3.776 2.598 4.619 . 0 0 "[ . 1 . 2]" 1
823 1 12 ILE MD 1 71 PHE HE1 3.990 . 4.590 3.374 2.906 3.746 . 0 0 "[ . 1 . 2]" 1
824 1 12 ILE MD 1 71 PHE HD1 5.200 . 5.980 4.633 3.868 4.978 . 0 0 "[ . 1 . 2]" 1
825 1 12 ILE HG12 1 71 PHE HE1 5.030 . 5.780 5.281 4.505 5.844 0.064 2 0 "[ . 1 . 2]" 1
826 1 12 ILE MG 1 61 THR H 4.340 . 4.990 2.964 2.535 3.662 . 0 0 "[ . 1 . 2]" 1
827 1 12 ILE MG 1 71 PHE HE1 4.400 . 5.060 4.743 3.851 5.104 0.044 15 0 "[ . 1 . 2]" 1
828 1 12 ILE MG 1 71 PHE HD1 4.820 . 5.540 4.999 4.132 5.383 . 0 0 "[ . 1 . 2]" 1
829 1 12 ILE MG 1 71 PHE HZ 4.800 . 5.520 4.147 3.569 4.806 . 0 0 "[ . 1 . 2]" 1
830 1 12 ILE MG 1 32 THR HA 5.250 . 6.040 5.687 5.019 6.134 0.094 11 0 "[ . 1 . 2]" 1
831 1 11 ASP HA 1 12 ILE HG13 4.430 . 5.090 3.435 3.154 3.718 . 0 0 "[ . 1 . 2]" 1
832 1 12 ILE MD 1 32 THR HA 4.430 . 5.090 4.152 3.425 4.911 . 0 0 "[ . 1 . 2]" 1
833 1 12 ILE HG12 1 32 THR HA 5.550 . 6.380 5.505 4.725 6.226 . 0 0 "[ . 1 . 2]" 1
834 1 12 ILE HG12 1 62 ALA HA 6.000 . 6.900 5.443 4.760 6.530 . 0 0 "[ . 1 . 2]" 1
835 1 12 ILE MD 1 61 THR HB 5.120 . 5.890 5.097 4.681 5.577 . 0 0 "[ . 1 . 2]" 1
836 1 12 ILE MD 1 37 LEU HG 5.940 . 6.830 4.524 3.023 5.427 . 0 0 "[ . 1 . 2]" 1
837 1 12 ILE HA 1 61 THR MG 4.380 . 5.040 3.171 2.674 3.525 . 0 0 "[ . 1 . 2]" 1
838 1 12 ILE HG13 1 61 THR HB 4.840 . 5.570 4.768 4.303 5.282 . 0 0 "[ . 1 . 2]" 1
839 1 13 GLN HB2 1 30 THR MG 4.830 . 5.550 3.217 2.558 5.117 . 0 0 "[ . 1 . 2]" 1
840 1 14 VAL HB 1 29 TYR HB2 4.380 . 5.040 2.489 1.899 2.856 . 0 0 "[ . 1 . 2]" 1
841 1 14 VAL MG2 1 60 ILE HG12 3.720 . 4.280 2.557 1.876 3.460 . 0 0 "[ . 1 . 2]" 1
842 1 12 ILE MD 1 33 THR HA 4.640 . 5.340 3.717 2.847 4.454 . 0 0 "[ . 1 . 2]" 1
843 1 16 ASN HA 1 58 THR HA 3.550 . 4.080 2.240 1.941 2.473 . 0 0 "[ . 1 . 2]" 1
844 1 16 ASN HA 1 58 THR MG 4.170 . 4.800 3.460 2.526 3.859 . 0 0 "[ . 1 . 2]" 1
845 1 14 VAL HB 1 28 THR HA 4.440 . 5.110 4.271 3.499 5.054 . 0 0 "[ . 1 . 2]" 1
846 1 15 GLN HA 1 28 THR HA 3.660 . 4.210 2.520 2.119 3.045 . 0 0 "[ . 1 . 2]" 1
847 1 28 THR HA 1 29 TYR QD 4.330 . 4.980 4.040 3.538 4.473 . 0 0 "[ . 1 . 2]" 1
848 1 16 ASN H 1 28 THR HA 4.370 . 5.030 3.496 2.870 4.040 . 0 0 "[ . 1 . 2]" 1
849 1 14 VAL HB 1 29 TYR HB3 4.700 . 5.400 4.192 3.625 4.560 . 0 0 "[ . 1 . 2]" 1
850 1 12 ILE H 1 30 THR MG 4.430 . 5.090 4.108 3.485 5.102 0.012 15 0 "[ . 1 . 2]" 1
851 1 12 ILE H 1 31 VAL HB 5.850 . 6.730 5.486 5.264 5.994 . 0 0 "[ . 1 . 2]" 1
852 1 31 VAL MG1 1 40 VAL H 4.590 . 5.280 4.378 3.816 4.829 . 0 0 "[ . 1 . 2]" 1
853 1 29 TYR QD 1 31 VAL MG1 5.370 . 6.180 4.480 4.217 5.019 . 0 0 "[ . 1 . 2]" 1
854 1 12 ILE H 1 31 VAL MG2 4.280 . 4.920 3.534 3.311 3.811 . 0 0 "[ . 1 . 2]" 1
855 1 31 VAL MG2 1 33 THR H 4.340 . 4.990 3.277 2.738 3.786 . 0 0 "[ . 1 . 2]" 1
856 1 29 TYR QD 1 31 VAL MG2 5.990 . 6.890 5.810 5.411 6.369 . 0 0 "[ . 1 . 2]" 1
857 1 31 VAL HB 1 37 LEU H 5.090 . 5.850 3.798 3.418 4.355 . 0 0 "[ . 1 . 2]" 1
858 1 12 ILE HB 1 31 VAL HB 4.630 . 5.320 4.382 4.216 4.523 . 0 0 "[ . 1 . 2]" 1
859 1 31 VAL MG1 1 36 GLU HB3 3.560 . 4.090 2.464 2.094 2.675 . 0 0 "[ . 1 . 2]" 1
860 1 29 TYR HB2 1 31 VAL MG1 4.300 . 4.950 3.554 3.003 4.039 . 0 0 "[ . 1 . 2]" 1
861 1 31 VAL MG1 1 37 LEU HA 3.520 . 4.050 3.038 2.333 3.624 . 0 0 "[ . 1 . 2]" 1
862 1 31 VAL MG2 1 37 LEU HA 3.530 . 4.060 2.421 2.076 3.231 . 0 0 "[ . 1 . 2]" 1
863 1 31 VAL MG2 1 37 LEU HG 5.040 . 5.800 4.247 2.373 4.836 . 0 0 "[ . 1 . 2]" 1
864 1 31 VAL MG2 1 36 GLU HB2 4.150 . 4.770 3.146 2.765 3.645 . 0 0 "[ . 1 . 2]" 1
865 1 31 VAL MG1 1 36 GLU HB2 3.910 . 4.500 2.918 2.629 3.451 . 0 0 "[ . 1 . 2]" 1
866 1 31 VAL HB 1 36 GLU HB2 3.620 . 4.160 2.110 1.825 2.639 . 0 0 "[ . 1 . 2]" 1
867 1 31 VAL HB 1 36 GLU HB3 3.680 . 4.230 2.836 2.113 3.476 . 0 0 "[ . 1 . 2]" 1
868 1 30 THR MG 1 31 VAL MG2 4.680 . 5.380 4.497 4.207 4.740 . 0 0 "[ . 1 . 2]" 1
869 1 12 ILE HG12 1 31 VAL MG2 4.820 . 5.540 4.301 4.124 4.516 . 0 0 "[ . 1 . 2]" 1
870 1 30 THR HA 1 31 VAL MG2 4.260 . 4.900 3.828 3.649 4.119 . 0 0 "[ . 1 . 2]" 1
871 1 31 VAL MG1 1 40 VAL MG1 4.100 . 4.720 3.003 2.139 3.843 . 0 0 "[ . 1 . 2]" 1
872 1 12 ILE MD 1 32 THR HB 5.710 . 6.570 6.134 5.482 6.628 0.058 12 0 "[ . 1 . 2]" 1
873 1 31 VAL MG2 1 32 THR HB 6.000 . 6.900 5.519 5.153 5.854 . 0 0 "[ . 1 . 2]" 1
874 1 12 ILE MD 1 32 THR MG 5.340 . 6.140 5.319 4.722 5.839 . 0 0 "[ . 1 . 2]" 1
875 1 31 VAL MG2 1 32 THR MG 5.720 . 6.580 4.850 4.607 5.187 . 0 0 "[ . 1 . 2]" 1
876 1 31 VAL HA 1 32 THR HB 4.710 . 5.420 4.428 4.215 4.661 . 0 0 "[ . 1 . 2]" 1
877 1 32 THR MG 1 36 GLU HB2 4.460 . 5.130 4.754 3.858 5.221 0.091 2 0 "[ . 1 . 2]" 1
878 1 31 VAL MG2 1 36 GLU HB3 4.410 . 5.070 3.869 3.301 4.345 . 0 0 "[ . 1 . 2]" 1
879 1 31 VAL MG1 1 36 GLU HG2 4.750 . 5.460 4.615 3.952 4.906 . 0 0 "[ . 1 . 2]" 1
880 1 12 ILE MD 1 34 GLU HG2 4.660 . 5.360 2.937 2.023 5.269 . 0 0 "[ . 1 . 2]" 1
881 1 31 VAL MG1 1 36 GLU HG3 4.750 . 5.460 4.122 3.674 4.841 . 0 0 "[ . 1 . 2]" 1
882 1 12 ILE MD 1 34 GLU HG3 4.660 . 5.360 3.243 2.594 4.035 . 0 0 "[ . 1 . 2]" 1
883 1 37 LEU MD2 1 71 PHE HE1 4.970 . 5.720 3.199 2.464 5.465 . 0 0 "[ . 1 . 2]" 1
884 1 37 LEU MD2 1 71 PHE HD1 4.780 . 5.500 2.914 2.364 4.725 . 0 0 "[ . 1 . 2]" 1
885 1 74 ILE MG 1 77 LYS HB2 3.770 . 4.340 3.800 3.413 4.375 0.035 9 0 "[ . 1 . 2]" 1
886 1 45 LYS HD2 1 82 LEU MD2 4.480 . 5.150 3.591 3.144 3.969 . 0 0 "[ . 1 . 2]" 1
887 1 40 VAL HA 1 43 GLU HG2 6.000 . 6.900 4.983 2.922 5.878 . 0 0 "[ . 1 . 2]" 1
888 1 40 VAL HA 1 43 GLU HG3 6.000 . 6.900 5.069 3.142 6.411 . 0 0 "[ . 1 . 2]" 1
889 1 45 LYS HA 1 82 LEU MD2 3.730 . 4.290 3.244 2.357 4.271 . 0 0 "[ . 1 . 2]" 1
890 1 45 LYS HA 1 78 VAL QG . . 4.170 2.767 2.533 3.039 . 0 0 "[ . 1 . 2]" 1
891 1 45 LYS HB3 1 82 LEU MD2 4.530 . 5.210 4.295 4.153 4.560 . 0 0 "[ . 1 . 2]" 1
892 1 45 LYS HG3 1 78 VAL QG . . 4.400 2.461 2.046 2.894 . 0 0 "[ . 1 . 2]" 1
893 1 45 LYS HB3 1 82 LEU MD1 4.530 . 5.210 4.737 4.078 5.225 0.015 4 0 "[ . 1 . 2]" 1
894 1 45 LYS HB2 1 82 LEU MD1 4.460 . 5.130 3.964 3.513 4.372 . 0 0 "[ . 1 . 2]" 1
895 1 45 LYS HG3 1 46 ASP HA 5.300 . 6.100 5.217 4.906 5.489 . 0 0 "[ . 1 . 2]" 1
896 1 42 ASN HA 1 45 LYS HD3 4.400 . 5.060 3.903 3.072 4.643 . 0 0 "[ . 1 . 2]" 1
897 1 42 ASN HA 1 45 LYS HE2 4.010 . 4.610 2.540 1.951 3.835 . 0 0 "[ . 1 . 2]" 1
898 1 47 TYR HB2 1 48 ILE HG12 5.510 . 6.340 4.692 4.376 5.054 . 0 0 "[ . 1 . 2]" 1
899 1 47 TYR HB3 1 48 ILE HG12 5.810 . 6.680 5.143 4.431 5.769 . 0 0 "[ . 1 . 2]" 1
900 1 45 LYS HA 1 48 ILE MD 4.810 . 5.530 2.816 2.088 4.399 . 0 0 "[ . 1 . 2]" 1
901 1 45 LYS HA 1 48 ILE MG 5.110 . 5.880 4.352 3.997 4.645 . 0 0 "[ . 1 . 2]" 1
902 1 48 ILE MG 1 50 LYS H 5.250 . 6.040 5.025 4.821 5.357 . 0 0 "[ . 1 . 2]" 1
903 1 48 ILE MG 1 49 LYS HA 3.970 . 4.570 3.587 3.284 3.957 . 0 0 "[ . 1 . 2]" 1
904 1 57 ARG HA 1 99 GLU HA 4.100 . 4.720 3.219 2.502 4.101 . 0 0 "[ . 1 . 2]" 1
905 1 97 THR MG 1 99 GLU HB2 4.300 . 4.950 3.243 2.531 4.177 . 0 0 "[ . 1 . 2]" 1
906 1 58 THR HB 1 97 THR HA 4.760 . 5.470 5.240 4.934 5.524 0.054 2 0 "[ . 1 . 2]" 1
907 1 16 ASN HD22 1 58 THR HB 5.370 . 6.180 4.949 4.187 5.443 . 0 0 "[ . 1 . 2]" 1
908 1 60 ILE HA 1 95 THR MG 3.900 . 4.490 3.720 3.341 4.199 . 0 0 "[ . 1 . 2]" 1
909 1 58 THR MG 1 60 ILE HG13 3.710 . 4.270 2.512 2.017 2.808 . 0 0 "[ . 1 . 2]" 1
910 1 60 ILE HB 1 95 THR MG 4.750 . 5.460 4.583 4.273 5.319 . 0 0 "[ . 1 . 2]" 1
911 1 59 SER HA 1 97 THR HA 3.340 . 3.840 2.247 1.952 2.467 . 0 0 "[ . 1 . 2]" 1
912 1 59 SER HA 1 95 THR MG 4.360 . 5.010 3.273 2.832 4.606 . 0 0 "[ . 1 . 2]" 1
913 1 59 SER HA 1 60 ILE HG12 5.800 . 6.670 5.248 4.979 5.417 . 0 0 "[ . 1 . 2]" 1
914 1 60 ILE MD 1 71 PHE HD1 4.420 . 5.080 4.658 4.210 5.094 0.014 1 0 "[ . 1 . 2]" 1
915 1 14 VAL HA 1 60 ILE MD 5.650 . 6.500 4.562 3.780 5.068 . 0 0 "[ . 1 . 2]" 1
916 1 58 THR HB 1 60 ILE MD 5.660 . 6.510 4.651 4.035 5.300 . 0 0 "[ . 1 . 2]" 1
917 1 60 ILE MD 1 75 LEU HA 6.000 . 6.900 4.078 3.501 4.777 . 0 0 "[ . 1 . 2]" 1
918 1 14 VAL HA 1 60 ILE HG12 4.400 . 5.060 3.041 2.221 3.623 . 0 0 "[ . 1 . 2]" 1
919 1 14 VAL HA 1 60 ILE MG 4.120 . 4.740 3.856 3.472 4.253 . 0 0 "[ . 1 . 2]" 1
920 1 60 ILE MG 1 62 ALA HA 5.100 . 5.870 4.508 4.071 4.764 . 0 0 "[ . 1 . 2]" 1
921 1 60 ILE MG 1 61 THR HB 4.750 . 5.460 3.806 3.485 4.277 . 0 0 "[ . 1 . 2]" 1
922 1 14 VAL HA 1 60 ILE HA 3.740 . 4.300 2.566 2.325 2.832 . 0 0 "[ . 1 . 2]" 1
923 1 59 SER HA 1 60 ILE HB 5.030 . 5.780 4.583 4.472 4.703 . 0 0 "[ . 1 . 2]" 1
924 1 60 ILE HB 1 71 PHE HB3 4.860 . 5.590 3.132 2.809 3.553 . 0 0 "[ . 1 . 2]" 1
925 1 60 ILE MD 1 75 LEU HG 4.230 . 4.860 3.185 2.150 4.260 . 0 0 "[ . 1 . 2]" 1
926 1 60 ILE MD 1 71 PHE HB3 3.730 . 4.290 2.793 2.228 3.313 . 0 0 "[ . 1 . 2]" 1
927 1 58 THR MG 1 60 ILE HG12 3.760 . 4.320 3.271 2.921 3.703 . 0 0 "[ . 1 . 2]" 1
928 1 14 VAL MG1 1 60 ILE HG12 3.720 . 4.280 2.277 1.920 2.833 . 0 0 "[ . 1 . 2]" 1
929 1 14 VAL MG2 1 60 ILE HG13 4.670 . 5.370 4.111 3.486 4.976 . 0 0 "[ . 1 . 2]" 1
930 1 60 ILE HG13 1 75 LEU QD . . 3.990 2.177 1.850 2.665 . 0 0 "[ . 1 . 2]" 1
931 1 60 ILE MD 1 75 LEU QD . . 3.160 1.994 1.794 2.378 0.006 10 0 "[ . 1 . 2]" 1
932 1 61 THR MG 1 95 THR MG 4.100 . 4.720 4.325 3.426 4.799 0.079 11 0 "[ . 1 . 2]" 1
933 1 12 ILE MG 1 61 THR MG 4.050 . 4.660 4.138 3.552 4.649 . 0 0 "[ . 1 . 2]" 1
934 1 13 GLN HB3 1 61 THR HB 5.030 . 5.780 4.142 3.654 5.464 . 0 0 "[ . 1 . 2]" 1
935 1 61 THR MG 1 62 ALA HA 4.180 . 4.810 3.671 3.485 3.918 . 0 0 "[ . 1 . 2]" 1
936 1 61 THR MG 1 95 THR HA 4.440 . 5.110 4.069 3.518 4.343 . 0 0 "[ . 1 . 2]" 1
937 1 60 ILE HA 1 61 THR HB 4.720 . 5.430 4.768 4.634 4.880 . 0 0 "[ . 1 . 2]" 1
938 1 60 ILE HA 1 61 THR MG 5.770 . 6.640 5.577 5.522 5.638 . 0 0 "[ . 1 . 2]" 1
939 1 13 GLN H 1 61 THR HB 3.860 . 4.440 2.253 1.965 2.594 . 0 0 "[ . 1 . 2]" 1
940 1 13 GLN H 1 61 THR MG 4.520 . 5.200 3.233 2.796 3.712 . 0 0 "[ . 1 . 2]" 1
941 1 62 ALA MB 1 64 THR H 4.170 . 4.800 4.353 3.877 4.870 0.070 11 0 "[ . 1 . 2]" 1
942 1 62 ALA MB 1 91 TRP HZ2 4.560 . 5.240 4.810 3.800 5.303 0.063 12 0 "[ . 1 . 2]" 1
943 1 62 ALA MB 1 71 PHE HB2 4.640 . 5.340 2.916 2.267 3.565 . 0 0 "[ . 1 . 2]" 1
944 1 62 ALA MB 1 67 GLU HB3 3.930 . 4.520 2.821 2.274 4.428 . 0 0 "[ . 1 . 2]" 1
945 1 62 ALA MB 1 96 VAL MG2 4.830 . 5.550 2.785 1.772 4.264 0.028 2 0 "[ . 1 . 2]" 1
946 1 60 ILE MG 1 62 ALA MB 4.010 . 4.610 3.308 2.960 3.959 . 0 0 "[ . 1 . 2]" 1
947 1 62 ALA MB 1 68 ALA MB 4.310 . 4.960 2.778 2.197 3.108 . 0 0 "[ . 1 . 2]" 1
948 1 61 THR MG 1 63 ARG HB2 5.260 . 6.050 5.068 4.054 6.071 0.021 9 0 "[ . 1 . 2]" 1
949 1 63 ARG HB2 1 64 THR MG 4.660 . 5.360 3.713 2.474 5.291 . 0 0 "[ . 1 . 2]" 1
950 1 61 THR MG 1 63 ARG HG2 4.600 . 5.290 3.965 2.279 5.222 . 0 0 "[ . 1 . 2]" 1
951 1 61 THR MG 1 63 ARG HG3 4.600 . 5.290 4.360 2.415 5.195 . 0 0 "[ . 1 . 2]" 1
952 1 61 THR MG 1 63 ARG HD2 4.550 . 5.230 3.444 2.157 5.003 . 0 0 "[ . 1 . 2]" 1
953 1 61 THR MG 1 63 ARG HD3 4.550 . 5.230 3.491 2.311 4.669 . 0 0 "[ . 1 . 2]" 1
954 1 63 ARG HD2 1 94 ASP HA 6.000 . 6.900 5.132 3.011 6.527 . 0 0 "[ . 1 . 2]" 1
955 1 63 ARG HD3 1 94 ASP HA 6.000 . 6.900 5.661 3.507 7.037 0.137 5 0 "[ . 1 . 2]" 1
956 1 63 ARG HG2 1 94 ASP HA 5.530 . 6.360 4.868 3.313 6.207 . 0 0 "[ . 1 . 2]" 1
957 1 63 ARG HB2 1 94 ASP HA 4.820 . 5.540 3.939 2.933 5.431 . 0 0 "[ . 1 . 2]" 1
958 1 63 ARG HB3 1 94 ASP HA 5.950 . 6.840 3.070 1.710 4.515 0.090 14 0 "[ . 1 . 2]" 1
959 1 63 ARG HG3 1 94 ASP HA 5.530 . 6.360 5.147 4.204 6.013 . 0 0 "[ . 1 . 2]" 1
960 1 64 THR MG 1 67 GLU HB2 3.900 . 4.490 4.381 3.876 4.618 0.128 19 0 "[ . 1 . 2]" 1
961 1 67 GLU HA 1 70 LYS HD3 4.430 . 5.090 2.757 2.097 4.346 . 0 0 "[ . 1 . 2]" 1
962 1 68 ALA HA 1 96 VAL MG1 4.450 . 5.120 2.987 2.025 4.243 . 0 0 "[ . 1 . 2]" 1
963 1 68 ALA HA 1 96 VAL MG2 4.450 . 5.120 3.338 1.811 4.532 . 0 0 "[ . 1 . 2]" 1
964 1 62 ALA MB 1 68 ALA HA 3.560 . 4.090 2.131 1.741 2.488 0.059 5 0 "[ . 1 . 2]" 1
965 1 68 ALA HA 1 91 TRP HZ2 5.700 . 6.560 5.863 5.047 6.557 . 0 0 "[ . 1 . 2]" 1
966 1 68 ALA H 1 69 GLU HA 5.520 . 6.350 5.318 5.227 5.414 . 0 0 "[ . 1 . 2]" 1
967 1 70 LYS HG3 1 71 PHE HD1 4.690 . 5.390 2.719 2.144 4.054 . 0 0 "[ . 1 . 2]" 1
968 1 60 ILE MG 1 71 PHE HB3 3.780 . 4.350 2.231 1.811 2.752 . 0 0 "[ . 1 . 2]" 1
969 1 72 ALA HA 1 96 VAL MG2 4.410 . 5.070 3.145 2.535 4.726 . 0 0 "[ . 1 . 2]" 1
970 1 72 ALA MB 1 96 VAL MG2 3.570 . 4.110 2.422 1.767 3.687 0.033 13 0 "[ . 1 . 2]" 1
971 1 72 ALA MB 1 89 VAL MG1 3.490 . 4.010 2.872 1.851 4.039 0.029 1 0 "[ . 1 . 2]" 1
972 1 72 ALA MB 1 89 VAL MG2 3.490 . 4.010 2.489 1.811 3.612 . 0 0 "[ . 1 . 2]" 1
973 1 72 ALA MB 1 96 VAL MG1 3.570 . 4.110 2.529 1.738 3.558 0.062 8 0 "[ . 1 . 2]" 1
974 1 60 ILE MD 1 72 ALA HA 4.750 . 5.460 4.372 3.288 5.417 . 0 0 "[ . 1 . 2]" 1
975 1 60 ILE MD 1 72 ALA MB 5.470 . 6.290 5.275 4.418 6.051 . 0 0 "[ . 1 . 2]" 1
976 1 72 ALA MB 1 76 ILE HB 5.940 . 6.830 4.739 4.464 5.009 . 0 0 "[ . 1 . 2]" 1
977 1 72 ALA MB 1 89 VAL HB 5.720 . 6.580 3.911 2.772 5.187 . 0 0 "[ . 1 . 2]" 1
978 1 72 ALA HA 1 76 ILE HB 6.000 . 6.900 5.424 5.060 5.840 . 0 0 "[ . 1 . 2]" 1
979 1 72 ALA HA 1 98 VAL HB 6.000 . 6.900 5.520 4.540 6.532 . 0 0 "[ . 1 . 2]" 1
980 1 71 PHE HB2 1 72 ALA MB 4.630 . 5.320 4.179 3.975 4.480 . 0 0 "[ . 1 . 2]" 1
981 1 68 ALA HA 1 72 ALA MB 4.860 . 5.590 3.838 3.237 4.230 . 0 0 "[ . 1 . 2]" 1
982 1 72 ALA MB 1 74 ILE H 4.670 . 5.370 4.664 4.554 4.833 . 0 0 "[ . 1 . 2]" 1
983 1 73 ALA MB 1 74 ILE MD 4.430 . 5.090 4.335 4.142 4.565 . 0 0 "[ . 1 . 2]" 1
984 1 73 ALA MB 1 76 ILE MD 4.320 . 4.970 4.599 4.231 4.938 . 0 0 "[ . 1 . 2]" 1
985 1 73 ALA MB 1 76 ILE HB 4.630 . 5.320 4.230 3.862 4.470 . 0 0 "[ . 1 . 2]" 1
986 1 73 ALA MB 1 74 ILE HA 4.190 . 4.820 3.890 3.819 3.968 . 0 0 "[ . 1 . 2]" 1
987 1 73 ALA MB 1 77 LYS H 5.120 . 5.890 4.876 4.789 4.937 . 0 0 "[ . 1 . 2]" 1
988 1 71 PHE HD1 1 74 ILE HB 4.920 . 5.660 4.635 4.154 5.323 . 0 0 "[ . 1 . 2]" 1
989 1 71 PHE HD1 1 74 ILE MG 5.000 . 5.750 5.170 4.572 5.807 0.057 8 0 "[ . 1 . 2]" 1
990 1 74 ILE MG 1 75 LEU HA 3.860 . 4.440 3.610 3.304 3.815 . 0 0 "[ . 1 . 2]" 1
991 1 71 PHE HA 1 74 ILE MD 3.880 . 4.460 2.573 2.171 3.083 . 0 0 "[ . 1 . 2]" 1
992 1 71 PHE HA 1 74 ILE MG 4.510 . 5.190 4.470 4.108 5.018 . 0 0 "[ . 1 . 2]" 1
993 1 41 LEU MD1 1 74 ILE HB 5.270 . 6.060 2.974 2.329 3.341 . 0 0 "[ . 1 . 2]" 1
994 1 41 LEU MD2 1 74 ILE HB 5.270 . 6.060 5.224 4.699 5.586 . 0 0 "[ . 1 . 2]" 1
995 1 41 LEU MD1 1 74 ILE MG 3.620 . 4.160 2.024 1.894 2.109 . 0 0 "[ . 1 . 2]" 1
996 1 70 LYS HG2 1 74 ILE MD 5.930 . 6.820 5.296 2.988 6.156 . 0 0 "[ . 1 . 2]" 1
997 1 60 ILE MD 1 75 LEU HB2 4.250 . 4.890 3.027 1.989 4.738 . 0 0 "[ . 1 . 2]" 1
998 1 75 LEU HB2 1 98 VAL HB 4.730 . 5.440 4.543 3.094 5.459 0.019 6 0 "[ . 1 . 2]" 1
999 1 75 LEU QD 1 98 VAL HB . . 3.700 2.255 1.740 2.837 0.060 9 0 "[ . 1 . 2]" 1
1000 1 76 ILE HA 1 79 TYR QD 5.050 . 5.810 4.366 3.698 5.240 . 0 0 "[ . 1 . 2]" 1
1001 1 73 ALA HA 1 76 ILE MD 3.300 . 3.800 3.445 2.990 3.866 0.066 4 0 "[ . 1 . 2]" 1
1002 1 72 ALA HA 1 76 ILE MD 4.500 . 5.180 3.317 2.952 3.679 . 0 0 "[ . 1 . 2]" 1
1003 1 73 ALA HA 1 76 ILE MG 4.540 . 5.220 3.846 3.565 4.148 . 0 0 "[ . 1 . 2]" 1
1004 1 72 ALA MB 1 76 ILE MD 3.290 . 3.780 2.682 2.325 2.951 . 0 0 "[ . 1 . 2]" 1
1005 1 76 ILE HB 1 80 ALA MB 5.610 . 6.450 5.319 5.104 5.496 . 0 0 "[ . 1 . 2]" 1
1006 1 76 ILE MD 1 98 VAL MG2 3.410 . 3.920 2.125 1.939 2.505 . 0 0 "[ . 1 . 2]" 1
1007 1 74 ILE MG 1 77 LYS HB3 4.840 . 5.570 4.742 3.471 5.090 . 0 0 "[ . 1 . 2]" 1
1008 1 78 VAL QG 1 79 TYR QD . . 4.900 2.693 2.097 3.656 . 0 0 "[ . 1 . 2]" 1
1009 1 77 LYS H 1 78 VAL HB 5.890 . 6.770 4.817 4.561 4.979 . 0 0 "[ . 1 . 2]" 1
1010 1 78 VAL HB 1 79 TYR QD 5.010 . 5.760 2.676 2.308 3.667 . 0 0 "[ . 1 . 2]" 1
1011 1 45 LYS HB3 1 78 VAL QG . . 4.290 3.426 3.219 3.659 . 0 0 "[ . 1 . 2]" 1
1012 1 45 LYS HD3 1 78 VAL QG . . 4.000 2.616 2.239 3.064 . 0 0 "[ . 1 . 2]" 1
1013 1 80 ALA HA 1 87 ILE MD 3.500 . 4.030 2.965 2.319 3.705 . 0 0 "[ . 1 . 2]" 1
1014 1 80 ALA HA 1 83 GLY H 4.050 . 4.660 3.302 2.992 3.705 . 0 0 "[ . 1 . 2]" 1
1015 1 79 TYR H 1 80 ALA MB 4.330 . 4.980 4.294 4.225 4.398 . 0 0 "[ . 1 . 2]" 1
1016 1 79 TYR H 1 80 ALA HA 5.220 . 6.000 5.218 5.108 5.305 . 0 0 "[ . 1 . 2]" 1
1017 1 80 ALA MB 1 81 GLU HB3 5.680 . 6.530 5.401 5.277 5.578 . 0 0 "[ . 1 . 2]" 1
1018 1 81 GLU HB3 1 82 LEU HG 4.490 . 5.160 4.475 3.418 4.863 . 0 0 "[ . 1 . 2]" 1
1019 1 80 ALA MB 1 81 GLU HB2 4.570 . 5.260 4.708 4.557 4.876 . 0 0 "[ . 1 . 2]" 1
1020 1 45 LYS HD2 1 81 GLU HG2 6.000 . 6.900 4.332 3.621 4.929 . 0 0 "[ . 1 . 2]" 1
1021 1 45 LYS HD2 1 81 GLU HG3 6.000 . 6.900 3.766 2.206 4.506 . 0 0 "[ . 1 . 2]" 1
1022 1 78 VAL HA 1 81 GLU HG2 5.110 . 5.880 4.769 3.091 5.737 . 0 0 "[ . 1 . 2]" 1
1023 1 78 VAL HA 1 81 GLU HG3 5.110 . 5.880 3.749 2.533 4.329 . 0 0 "[ . 1 . 2]" 1
1024 1 78 VAL HA 1 81 GLU HA 5.830 . 6.700 5.956 5.405 6.384 . 0 0 "[ . 1 . 2]" 1
1025 1 79 TYR HB3 1 87 ILE MG 4.350 . 5.000 2.884 2.338 4.471 . 0 0 "[ . 1 . 2]" 1
1026 1 79 TYR HB2 1 87 ILE MG 4.350 . 5.000 2.590 1.999 4.078 . 0 0 "[ . 1 . 2]" 1
1027 1 76 ILE HA 1 87 ILE MG 3.980 . 4.580 2.439 1.808 3.148 . 0 0 "[ . 1 . 2]" 1
1028 1 76 ILE HA 1 87 ILE MD 4.500 . 5.180 4.239 3.403 4.784 . 0 0 "[ . 1 . 2]" 1
1029 1 79 TYR HB2 1 87 ILE MD 4.040 . 4.650 3.002 2.414 3.572 . 0 0 "[ . 1 . 2]" 1
1030 1 79 TYR HB3 1 87 ILE MD 4.040 . 4.650 2.070 1.833 2.396 . 0 0 "[ . 1 . 2]" 1
1031 1 87 ILE H 1 87 ILE HB 3.750 . 4.310 2.660 2.352 2.842 . 0 0 "[ . 1 . 2]" 1
1032 1 87 ILE MG 1 89 VAL H 5.000 . 5.750 4.524 3.416 5.068 . 0 0 "[ . 1 . 2]" 1
1033 1 87 ILE H 1 87 ILE MG 4.560 . 5.240 3.890 3.758 3.986 . 0 0 "[ . 1 . 2]" 1
1034 1 87 ILE MG 1 88 ASN HA 4.070 . 4.680 3.998 3.702 4.208 . 0 0 "[ . 1 . 2]" 1
1035 1 87 ILE MG 1 88 ASN HB2 5.750 . 6.610 4.871 4.470 5.414 . 0 0 "[ . 1 . 2]" 1
1036 1 87 ILE MG 1 88 ASN HB3 5.750 . 6.610 4.458 3.814 5.891 . 0 0 "[ . 1 . 2]" 1
1037 1 90 THR HB 1 97 THR HB 3.770 . 4.340 2.837 2.221 3.830 . 0 0 "[ . 1 . 2]" 1
1038 1 63 ARG HA 1 91 TRP HZ2 5.350 . 6.150 3.598 2.046 5.499 . 0 0 "[ . 1 . 2]" 1
1039 1 64 THR HA 1 91 TRP HZ2 6.000 . 6.900 4.084 2.618 5.476 . 0 0 "[ . 1 . 2]" 1
1040 1 71 PHE HB2 1 96 VAL MG2 4.710 . 5.420 3.577 2.275 4.959 . 0 0 "[ . 1 . 2]" 1
1041 1 71 PHE HB3 1 96 VAL MG2 5.340 . 6.140 4.203 2.508 5.574 . 0 0 "[ . 1 . 2]" 1
1042 1 57 ARG HD2 1 97 THR MG 4.490 . 5.160 3.289 2.137 4.426 . 0 0 "[ . 1 . 2]" 1
1043 1 57 ARG HD3 1 97 THR MG 4.490 . 5.160 3.012 2.116 4.313 . 0 0 "[ . 1 . 2]" 1
1044 1 90 THR MG 1 97 THR MG 3.990 . 4.590 4.206 3.815 4.637 0.047 8 0 "[ . 1 . 2]" 1
1045 1 90 THR MG 1 97 THR HB 4.150 . 4.770 3.551 3.058 4.054 . 0 0 "[ . 1 . 2]" 1
1046 1 57 ARG HA 1 97 THR MG 4.900 . 5.640 4.082 3.668 4.505 . 0 0 "[ . 1 . 2]" 1
1047 1 59 SER HA 1 97 THR MG 4.440 . 5.110 3.617 3.122 4.343 . 0 0 "[ . 1 . 2]" 1
1048 1 59 SER HA 1 97 THR HB 5.030 . 5.780 4.953 4.651 5.334 . 0 0 "[ . 1 . 2]" 1
1049 1 76 ILE MD 1 98 VAL MG1 3.410 . 3.920 2.485 1.910 3.256 . 0 0 "[ . 1 . 2]" 1
1050 1 89 VAL HA 1 98 VAL MG1 4.790 . 5.510 3.562 3.080 4.389 . 0 0 "[ . 1 . 2]" 1
1051 1 97 THR MG 1 98 VAL HA 4.540 . 5.220 3.866 3.344 4.374 . 0 0 "[ . 1 . 2]" 1
1052 1 97 THR MG 1 99 GLU HB3 4.300 . 4.950 3.879 3.131 4.730 . 0 0 "[ . 1 . 2]" 1
1053 1 62 ALA MB 1 95 THR HA 4.020 . 4.620 3.320 2.621 3.832 . 0 0 "[ . 1 . 2]" 1
1054 1 61 THR HA 1 95 THR MG 3.720 . 4.280 2.816 1.987 3.364 . 0 0 "[ . 1 . 2]" 1
1055 1 59 SER HB2 1 95 THR MG 3.890 . 4.470 2.842 1.840 4.551 0.081 18 0 "[ . 1 . 2]" 1
1056 1 59 SER HB3 1 95 THR MG 3.890 . 4.470 2.675 1.813 3.896 . 0 0 "[ . 1 . 2]" 1
1057 1 58 THR MG 1 60 ILE MD 3.450 . 3.970 3.024 2.468 3.420 . 0 0 "[ . 1 . 2]" 1
1058 1 61 THR HA 1 95 THR HA 3.680 . 4.230 2.436 1.939 2.770 . 0 0 "[ . 1 . 2]" 1
1059 1 61 THR HA 1 95 THR HB 4.990 . 5.740 4.631 3.761 5.321 . 0 0 "[ . 1 . 2]" 1
1060 1 62 ALA H 1 95 THR HB 5.160 . 5.930 4.956 4.149 5.392 . 0 0 "[ . 1 . 2]" 1
1061 1 75 LEU QD 1 97 THR HA . . 4.910 3.746 3.113 3.964 . 0 0 "[ . 1 . 2]" 1
1062 1 75 LEU QD 1 79 TYR QE . . 4.370 2.539 1.965 3.439 . 0 0 "[ . 1 . 2]" 1
1063 1 78 VAL QG 1 79 TYR HA . . 5.260 3.355 3.108 3.551 . 0 0 "[ . 1 . 2]" 1
1064 1 49 LYS H 1 82 LEU MD1 4.250 . 4.890 3.796 2.716 4.640 . 0 0 "[ . 1 . 2]" 1
1065 1 49 LYS H 1 82 LEU MD2 4.250 . 4.890 3.104 2.616 3.756 . 0 0 "[ . 1 . 2]" 1
1066 1 49 LYS HA 1 82 LEU MD1 4.400 . 5.060 4.131 2.781 5.012 . 0 0 "[ . 1 . 2]" 1
1067 1 45 LYS HA 1 82 LEU MD1 3.730 . 4.290 2.609 2.034 3.158 . 0 0 "[ . 1 . 2]" 1
1068 1 49 LYS HA 1 82 LEU MD2 4.400 . 5.060 2.863 2.166 3.643 . 0 0 "[ . 1 . 2]" 1
1069 1 45 LYS HD2 1 82 LEU MD1 4.480 . 5.150 4.664 3.834 5.184 0.034 3 0 "[ . 1 . 2]" 1
1070 1 45 LYS HG2 1 82 LEU MD1 3.710 . 4.270 3.722 2.518 4.345 0.075 5 0 "[ . 1 . 2]" 1
1071 1 45 LYS HG3 1 82 LEU MD1 3.960 . 4.550 2.715 2.041 3.222 . 0 0 "[ . 1 . 2]" 1
1072 1 45 LYS HG2 1 82 LEU MD2 3.710 . 4.270 2.425 1.989 2.742 . 0 0 "[ . 1 . 2]" 1
1073 1 45 LYS HG3 1 82 LEU MD2 3.960 . 4.550 2.425 2.157 2.889 . 0 0 "[ . 1 . 2]" 1
1074 1 45 LYS HD2 1 82 LEU HA 6.000 . 6.900 5.421 4.943 6.016 . 0 0 "[ . 1 . 2]" 1
1075 1 49 LYS HD2 1 82 LEU HA 6.000 . 6.900 5.460 3.308 6.962 0.062 13 0 "[ . 1 . 2]" 1
1076 1 49 LYS HD3 1 82 LEU HA 6.000 . 6.900 4.921 3.845 6.581 . 0 0 "[ . 1 . 2]" 1
1077 1 81 GLU HB2 1 82 LEU MD1 4.440 . 5.110 4.707 3.941 5.061 . 0 0 "[ . 1 . 2]" 1
1078 1 81 GLU HB2 1 82 LEU MD2 4.440 . 5.110 3.842 3.219 4.226 . 0 0 "[ . 1 . 2]" 1
1079 1 37 LEU HG 1 41 LEU MD1 5.630 . 6.470 2.586 2.183 4.555 . 0 0 "[ . 1 . 2]" 1
1080 1 59 SER HB3 1 97 THR MG 5.130 . 5.900 3.507 1.875 4.713 . 0 0 "[ . 1 . 2]" 1
1081 1 59 SER HB2 1 97 THR MG 5.130 . 5.900 4.092 2.283 4.895 . 0 0 "[ . 1 . 2]" 1
1082 1 57 ARG HA 1 99 GLU HG2 5.100 . 5.870 4.090 2.001 5.180 . 0 0 "[ . 1 . 2]" 1
1083 1 57 ARG HA 1 99 GLU HG3 5.100 . 5.870 3.511 2.675 4.991 . 0 0 "[ . 1 . 2]" 1
1084 1 99 GLU HG2 1 100 GLY H 4.760 . 5.470 3.056 1.969 4.968 . 0 0 "[ . 1 . 2]" 1
1085 1 99 GLU HG3 1 100 GLY H 4.760 . 5.470 3.683 2.515 4.992 . 0 0 "[ . 1 . 2]" 1
1086 1 55 ARG QG 1 99 GLU HG3 4.450 . 5.120 3.615 2.283 4.919 . 0 0 "[ . 1 . 2]" 1
1087 1 55 ARG QG 1 99 GLU HG2 4.450 . 5.120 3.832 2.589 5.132 0.012 18 0 "[ . 1 . 2]" 1
1088 1 91 TRP HA 1 96 VAL HA 4.890 . 5.620 2.253 1.962 2.502 . 0 0 "[ . 1 . 2]" 1
1089 1 89 VAL HA 1 98 VAL HA 3.370 . 3.880 2.853 2.108 3.867 . 0 0 "[ . 1 . 2]" 1
1090 1 89 VAL HA 1 98 VAL MG2 4.790 . 5.510 2.455 1.887 2.980 . 0 0 "[ . 1 . 2]" 1
1091 1 16 ASN HA 1 58 THR HB 5.160 . 5.930 5.067 4.405 5.365 . 0 0 "[ . 1 . 2]" 1
1092 1 79 TYR QE 1 98 VAL HB 5.030 . 5.780 3.925 3.106 4.727 . 0 0 "[ . 1 . 2]" 1
1093 1 16 ASN HD21 1 58 THR HB 5.370 . 6.180 3.956 3.720 4.241 . 0 0 "[ . 1 . 2]" 1
1094 1 18 ASN HA 1 56 SER HA 4.050 . 4.660 2.538 1.842 3.251 . 0 0 "[ . 1 . 2]" 1
1095 1 11 ASP HB2 1 30 THR HA 6.000 . 6.900 5.415 4.318 6.827 . 0 0 "[ . 1 . 2]" 1
1096 1 11 ASP HB3 1 30 THR HA 6.000 . 6.900 5.236 4.172 7.030 0.130 7 0 "[ . 1 . 2]" 1
1097 1 11 ASP HA 1 32 THR HA 3.920 . 4.510 2.938 2.273 3.844 . 0 0 "[ . 1 . 2]" 1
1098 1 12 ILE HA 1 61 THR HB 3.540 . 4.070 1.932 1.738 2.327 0.062 15 0 "[ . 1 . 2]" 1
1099 1 12 ILE HG12 1 61 THR HB 4.530 . 5.210 3.900 3.405 4.456 . 0 0 "[ . 1 . 2]" 1
1100 1 12 ILE MG 1 61 THR HB 3.600 . 4.140 2.959 2.269 3.553 . 0 0 "[ . 1 . 2]" 1
1101 1 12 ILE HB 1 61 THR HB 4.580 . 5.270 4.771 4.380 5.218 . 0 0 "[ . 1 . 2]" 1
1102 1 13 GLN HB2 1 61 THR HB 5.030 . 5.780 4.778 3.969 5.276 . 0 0 "[ . 1 . 2]" 1
1103 1 12 ILE MD 1 31 VAL HB 5.490 . 6.310 4.333 3.851 4.754 . 0 0 "[ . 1 . 2]" 1
1104 1 12 ILE MG 1 60 ILE HA 4.410 . 5.070 3.740 3.387 4.203 . 0 0 "[ . 1 . 2]" 1
1105 1 13 GLN HG3 1 28 THR MG 4.100 . 4.720 3.185 2.302 4.852 0.132 14 0 "[ . 1 . 2]" 1
1106 1 13 GLN HG2 1 28 THR MG 4.100 . 4.720 3.256 2.579 3.978 . 0 0 "[ . 1 . 2]" 1
1107 1 13 GLN HB3 1 30 THR MG 4.830 . 5.550 4.598 4.062 5.239 . 0 0 "[ . 1 . 2]" 1
1108 1 13 GLN HA 1 30 THR HA 3.220 . 3.700 2.347 2.067 2.667 . 0 0 "[ . 1 . 2]" 1
1109 1 13 GLN HA 1 30 THR HB 5.390 . 6.200 4.898 4.578 5.297 . 0 0 "[ . 1 . 2]" 1
1110 1 13 GLN HA 1 14 VAL HB 4.870 . 5.600 4.719 4.538 4.807 . 0 0 "[ . 1 . 2]" 1
1111 1 13 GLN HA 1 31 VAL H 3.760 . 4.320 3.597 3.030 4.090 . 0 0 "[ . 1 . 2]" 1
1112 1 14 VAL HA 1 61 THR H 4.230 . 4.860 3.955 3.439 4.442 . 0 0 "[ . 1 . 2]" 1
1113 1 14 VAL MG1 1 60 ILE HG13 4.670 . 5.370 3.206 2.774 3.764 . 0 0 "[ . 1 . 2]" 1
1114 1 14 VAL MG1 1 29 TYR QD 3.870 . 4.450 3.151 2.300 3.888 . 0 0 "[ . 1 . 2]" 1
1115 1 15 GLN HA 1 28 THR HB 5.040 . 5.800 4.759 4.255 5.331 . 0 0 "[ . 1 . 2]" 1
1116 1 15 GLN HA 1 28 THR MG 3.790 . 4.360 2.962 2.239 3.771 . 0 0 "[ . 1 . 2]" 1
1117 1 14 VAL HB 1 28 THR MG 4.970 . 5.720 4.813 4.380 5.584 . 0 0 "[ . 1 . 2]" 1
1118 1 28 THR MG 1 29 TYR QD 5.770 . 6.640 5.010 4.856 5.176 . 0 0 "[ . 1 . 2]" 1
1119 1 62 ALA MB 1 95 THR MG 4.770 . 5.490 4.460 3.934 4.734 . 0 0 "[ . 1 . 2]" 1
1120 1 12 ILE HB 1 31 VAL HA 5.220 . 6.000 5.064 4.815 5.249 . 0 0 "[ . 1 . 2]" 1
1121 1 31 VAL MG1 1 33 THR MG 6.000 . 6.900 5.891 4.963 6.456 . 0 0 "[ . 1 . 2]" 1
1122 1 31 VAL MG1 1 37 LEU HG 6.000 . 6.900 5.660 4.294 6.508 . 0 0 "[ . 1 . 2]" 1
1123 1 31 VAL MG1 1 40 VAL HB 4.190 . 4.820 3.661 2.529 4.516 . 0 0 "[ . 1 . 2]" 1
1124 1 31 VAL MG1 1 36 GLU HA 4.620 . 5.310 4.113 3.769 4.484 . 0 0 "[ . 1 . 2]" 1
1125 1 31 VAL MG2 1 32 THR HA 4.740 . 5.450 4.091 3.689 4.474 . 0 0 "[ . 1 . 2]" 1
1126 1 31 VAL HB 1 32 THR HA 4.620 . 5.310 4.825 4.479 5.060 . 0 0 "[ . 1 . 2]" 1
1127 1 30 THR HA 1 31 VAL MG1 5.010 . 5.760 3.905 3.702 4.099 . 0 0 "[ . 1 . 2]" 1
1128 1 12 ILE H 1 31 VAL MG1 5.980 . 6.880 5.683 5.479 6.006 . 0 0 "[ . 1 . 2]" 1
1129 1 63 ARG HB3 1 64 THR MG 5.110 . 5.880 4.656 3.163 6.271 0.391 2 0 "[ . 1 . 2]" 1
1130 1 33 THR MG 1 36 GLU HB3 5.070 . 5.830 5.244 4.307 5.762 . 0 0 "[ . 1 . 2]" 1
1131 1 33 THR MG 1 36 GLU HG2 4.800 . 5.520 3.336 2.383 4.655 . 0 0 "[ . 1 . 2]" 1
1132 1 36 GLU HB2 1 37 LEU HA 5.080 . 5.840 4.359 4.048 4.948 . 0 0 "[ . 1 . 2]" 1
1133 1 32 THR MG 1 36 GLU HB3 5.490 . 6.310 5.380 4.416 5.953 . 0 0 "[ . 1 . 2]" 1
1134 1 33 THR MG 1 36 GLU HG3 4.800 . 5.520 3.881 2.034 4.662 . 0 0 "[ . 1 . 2]" 1
1135 1 31 VAL HB 1 37 LEU MD2 6.000 . 6.900 5.896 4.514 6.603 . 0 0 "[ . 1 . 2]" 1
1136 1 31 VAL HB 1 37 LEU MD1 6.000 . 6.900 5.208 4.646 6.966 0.066 4 0 "[ . 1 . 2]" 1
1137 1 34 GLU HA 1 34 GLU HG3 3.690 . 4.240 3.064 2.589 3.273 . 0 0 "[ . 1 . 2]" 1
1138 1 34 GLU HA 1 34 GLU HG2 3.690 . 4.240 2.777 2.480 3.791 . 0 0 "[ . 1 . 2]" 1
1139 1 34 GLU HA 1 71 PHE HZ 4.920 . 5.660 4.694 3.558 5.739 0.079 16 0 "[ . 1 . 2]" 1
1140 1 34 GLU QB 1 71 PHE HZ 6.000 . 6.900 4.588 3.180 6.082 . 0 0 "[ . 1 . 2]" 1
1141 1 36 GLU HG2 1 37 LEU H 5.340 . 6.140 4.472 3.828 5.353 . 0 0 "[ . 1 . 2]" 1
1142 1 12 ILE MD 1 34 GLU HA 4.700 . 5.400 2.792 2.185 3.438 . 0 0 "[ . 1 . 2]" 1
1143 1 34 GLU HA 1 37 LEU MD1 5.780 . 6.650 4.525 2.203 5.032 . 0 0 "[ . 1 . 2]" 1
1144 1 12 ILE MD 1 34 GLU QB 5.090 . 5.850 3.879 2.663 4.637 . 0 0 "[ . 1 . 2]" 1
1145 1 34 GLU HG3 1 71 PHE HZ 5.150 . 5.920 3.920 2.485 5.477 . 0 0 "[ . 1 . 2]" 1
1146 1 34 GLU HG3 1 71 PHE HE1 4.820 . 5.540 3.808 1.917 5.007 . 0 0 "[ . 1 . 2]" 1
1147 1 34 GLU HG2 1 71 PHE HE1 4.820 . 5.540 2.672 1.848 3.761 . 0 0 "[ . 1 . 2]" 1
1148 1 34 GLU QB 1 71 PHE HE1 4.750 . 5.460 3.304 2.316 4.739 . 0 0 "[ . 1 . 2]" 1
1149 1 33 THR H 1 36 GLU HG2 5.090 . 5.850 4.137 3.011 5.015 . 0 0 "[ . 1 . 2]" 1
1150 1 33 THR H 1 36 GLU HG3 5.090 . 5.850 3.803 2.831 5.616 . 0 0 "[ . 1 . 2]" 1
1151 1 34 GLU HA 1 37 LEU MD2 5.780 . 6.650 3.322 2.885 4.872 . 0 0 "[ . 1 . 2]" 1
1152 1 37 LEU H 1 38 GLN HA 5.480 . 6.300 5.363 5.197 5.470 . 0 0 "[ . 1 . 2]" 1
1153 1 38 GLN HB2 1 39 LYS HA 6.000 . 6.900 4.744 4.208 5.744 . 0 0 "[ . 1 . 2]" 1
1154 1 38 GLN HB3 1 39 LYS HA 6.000 . 6.900 4.500 4.298 4.718 . 0 0 "[ . 1 . 2]" 1
1155 1 14 VAL HB 1 40 VAL HB 5.400 . 6.210 5.490 4.667 6.301 0.091 20 0 "[ . 1 . 2]" 1
1156 1 37 LEU HA 1 40 VAL MG1 5.320 . 6.120 3.462 1.978 4.352 . 0 0 "[ . 1 . 2]" 1
1157 1 37 LEU HA 1 40 VAL MG2 5.320 . 6.120 3.238 1.906 4.964 . 0 0 "[ . 1 . 2]" 1
1158 1 40 VAL HA 1 41 LEU HA 5.080 . 5.840 4.808 4.744 4.852 . 0 0 "[ . 1 . 2]" 1
1159 1 39 LYS HA 1 40 VAL HA 5.350 . 6.150 4.815 4.700 4.948 . 0 0 "[ . 1 . 2]" 1
1160 1 48 ILE HA 1 49 LYS HA 5.750 . 6.610 4.890 4.810 4.970 . 0 0 "[ . 1 . 2]" 1
1161 1 41 LEU HB2 1 74 ILE MG 4.760 . 5.470 3.330 2.727 3.892 . 0 0 "[ . 1 . 2]" 1
1162 1 41 LEU HB3 1 74 ILE MG 4.780 . 5.500 3.455 3.091 3.751 . 0 0 "[ . 1 . 2]" 1
1163 1 41 LEU MD2 1 74 ILE MG 3.620 . 4.160 4.104 3.944 4.280 0.120 5 0 "[ . 1 . 2]" 1
1164 1 37 LEU HG 1 41 LEU MD2 5.630 . 6.470 4.115 3.275 5.996 . 0 0 "[ . 1 . 2]" 1
1165 1 37 LEU HG 1 41 LEU HG 4.570 . 5.260 3.163 2.589 5.397 0.137 16 0 "[ . 1 . 2]" 1
1166 1 42 ASN HA 1 43 GLU HA 5.000 . 5.750 4.837 4.778 4.889 . 0 0 "[ . 1 . 2]" 1
1167 1 45 LYS HG2 1 46 ASP HA 4.000 . 4.600 3.732 3.471 4.043 . 0 0 "[ . 1 . 2]" 1
1168 1 45 LYS HB3 1 46 ASP HA 4.510 . 5.190 4.393 4.300 4.527 . 0 0 "[ . 1 . 2]" 1
1169 1 47 TYR HB2 1 48 ILE HA 5.800 . 6.670 4.540 4.310 4.784 . 0 0 "[ . 1 . 2]" 1
1170 1 47 TYR HB3 1 48 ILE HA 5.990 . 6.890 4.409 4.122 4.683 . 0 0 "[ . 1 . 2]" 1
1171 1 48 ILE HB 1 49 LYS HG3 5.990 . 6.890 6.255 5.880 7.025 0.135 11 0 "[ . 1 . 2]" 1
1172 1 44 LEU HG 1 48 ILE HG12 4.480 . 5.150 4.214 2.938 5.111 . 0 0 "[ . 1 . 2]" 1
1173 1 44 LEU HG 1 48 ILE MD 4.900 . 5.640 2.972 2.008 4.343 . 0 0 "[ . 1 . 2]" 1
1174 1 16 ASN HD22 1 48 ILE MD 5.310 . 6.110 2.440 1.978 3.728 . 0 0 "[ . 1 . 2]" 1
1175 1 14 VAL HA 1 60 ILE HG13 4.490 . 5.160 4.099 3.451 4.559 . 0 0 "[ . 1 . 2]" 1
1176 1 60 ILE HA 1 61 THR HA 5.080 . 5.840 4.419 4.357 4.471 . 0 0 "[ . 1 . 2]" 1
1177 1 60 ILE MG 1 61 THR HA 4.840 . 5.570 4.127 3.992 4.269 . 0 0 "[ . 1 . 2]" 1
1178 1 12 ILE MD 1 61 THR MG 5.040 . 5.800 5.378 5.002 5.799 . 0 0 "[ . 1 . 2]" 1
1179 1 12 ILE HG12 1 61 THR MG 4.090 . 4.700 4.383 3.928 4.875 0.175 3 0 "[ . 1 . 2]" 1
1180 1 62 ALA HA 1 68 ALA HA 4.390 . 5.050 4.590 3.196 5.100 0.050 13 0 "[ . 1 . 2]" 1
1181 1 66 LYS HA 1 67 GLU HA 4.830 . 5.550 4.850 4.772 4.948 . 0 0 "[ . 1 . 2]" 1
1182 1 67 GLU HA 1 70 LYS HG3 5.190 . 5.970 3.178 2.771 4.558 . 0 0 "[ . 1 . 2]" 1
1183 1 70 LYS HB3 1 72 ALA H 5.960 . 6.850 5.881 4.431 6.058 . 0 0 "[ . 1 . 2]" 1
1184 1 70 LYS HE2 1 71 PHE HE1 5.310 . 6.110 3.840 2.134 6.073 . 0 0 "[ . 1 . 2]" 1
1185 1 70 LYS HE3 1 71 PHE HE1 5.310 . 6.110 4.052 1.924 5.670 . 0 0 "[ . 1 . 2]" 1
1186 1 70 LYS HE2 1 74 ILE MD 5.570 . 6.410 4.888 3.084 6.530 0.120 5 0 "[ . 1 . 2]" 1
1187 1 70 LYS HE3 1 74 ILE MD 5.570 . 6.410 4.960 3.246 6.555 0.145 14 0 "[ . 1 . 2]" 1
1188 1 71 PHE HB2 1 96 VAL MG1 4.710 . 5.420 3.415 1.905 5.215 . 0 0 "[ . 1 . 2]" 1
1189 1 71 PHE HB3 1 96 VAL MG1 5.340 . 6.140 4.180 2.712 5.778 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ALA MB 1 76 ILE H 4.840 . 5.570 4.555 4.414 4.661 . 0 0 "[ . 1 . 2]" 1
1191 1 71 PHE H 1 72 ALA MB 4.660 . 5.360 4.222 4.109 4.313 . 0 0 "[ . 1 . 2]" 1
1192 1 73 ALA MB 1 74 ILE HG13 4.610 . 5.300 3.126 2.924 3.396 . 0 0 "[ . 1 . 2]" 1
1193 1 73 ALA MB 1 74 ILE HG12 4.610 . 5.300 4.128 3.830 4.449 . 0 0 "[ . 1 . 2]" 1
1194 1 37 LEU HG 1 74 ILE MG 5.200 . 5.980 4.161 3.223 5.971 . 0 0 "[ . 1 . 2]" 1
1195 1 74 ILE MG 1 75 LEU HB2 5.590 . 6.430 4.748 4.175 5.501 . 0 0 "[ . 1 . 2]" 1
1196 1 74 ILE HB 1 75 LEU HA 4.340 . 4.990 4.279 4.133 4.435 . 0 0 "[ . 1 . 2]" 1
1197 1 60 ILE HB 1 75 LEU HB2 5.430 . 6.240 5.113 4.385 6.298 0.058 3 0 "[ . 1 . 2]" 1
1198 1 76 ILE MG 1 77 LYS HA 3.910 . 4.500 3.246 3.073 3.436 . 0 0 "[ . 1 . 2]" 1
1199 1 76 ILE MG 1 80 ALA HA 4.960 . 5.700 4.999 4.692 5.365 . 0 0 "[ . 1 . 2]" 1
1200 1 76 ILE MG 1 80 ALA H 4.560 . 5.240 4.266 4.112 4.432 . 0 0 "[ . 1 . 2]" 1
1201 1 76 ILE MD 1 80 ALA H 6.000 . 6.900 6.075 5.930 6.326 . 0 0 "[ . 1 . 2]" 1
1202 1 74 ILE HA 1 77 LYS HD2 5.550 . 6.380 4.095 2.489 5.780 . 0 0 "[ . 1 . 2]" 1
1203 1 74 ILE HA 1 77 LYS HD3 5.550 . 6.380 3.582 2.053 5.994 . 0 0 "[ . 1 . 2]" 1
1204 1 77 LYS HA 1 78 VAL HB 5.890 . 6.770 5.821 5.742 5.926 . 0 0 "[ . 1 . 2]" 1
1205 1 74 ILE MG 1 78 VAL HB 5.400 . 6.210 4.696 4.191 5.216 . 0 0 "[ . 1 . 2]" 1
1206 1 79 TYR HA 1 82 LEU HB2 5.000 . 5.750 2.410 1.856 3.047 . 0 0 "[ . 1 . 2]" 1
1207 1 79 TYR QD 1 82 LEU HB2 6.000 . 6.900 4.499 3.039 5.149 . 0 0 "[ . 1 . 2]" 1
1208 1 79 TYR HA 1 82 LEU HG 4.710 . 5.420 3.257 2.753 3.889 . 0 0 "[ . 1 . 2]" 1
1209 1 10 GLY QA 1 12 ILE H 5.730 . 6.590 5.583 5.098 5.918 . 0 0 "[ . 1 . 2]" 1
1210 1 87 ILE MG 1 98 VAL HA 4.760 . 5.470 4.301 3.566 4.836 . 0 0 "[ . 1 . 2]" 1
1211 1 79 TYR QD 1 87 ILE MD 5.290 . 6.080 3.054 2.246 3.938 . 0 0 "[ . 1 . 2]" 1
1212 1 79 TYR QD 1 87 ILE MG 5.270 . 6.060 3.198 2.253 4.365 . 0 0 "[ . 1 . 2]" 1
1213 1 88 ASN HA 1 89 VAL HB 4.700 . 5.400 4.732 4.442 4.908 . 0 0 "[ . 1 . 2]" 1
1214 1 90 THR HB 1 97 THR MG 4.290 . 4.930 3.618 3.122 4.520 . 0 0 "[ . 1 . 2]" 1
1215 1 60 ILE H 1 95 THR HB 5.100 . 5.870 5.271 3.000 5.816 . 0 0 "[ . 1 . 2]" 1
1216 1 58 THR H 1 98 VAL HB 5.580 . 6.420 3.973 3.558 4.637 . 0 0 "[ . 1 . 2]" 1
1217 1 58 THR HB 1 98 VAL HB 4.610 . 5.300 3.504 3.182 3.955 . 0 0 "[ . 1 . 2]" 1
1218 1 75 LEU HB3 1 98 VAL HB 3.920 . 4.510 3.500 2.365 4.506 . 0 0 "[ . 1 . 2]" 1
1219 1 13 GLN HA 1 30 THR MG 3.530 . 4.060 3.099 2.694 3.803 . 0 0 "[ . 1 . 2]" 1
1220 1 38 GLN HA 1 74 ILE MG 5.080 . 5.840 3.215 2.164 4.100 . 0 0 "[ . 1 . 2]" 1
1221 1 38 GLN HA 1 41 LEU HG 4.270 . 4.910 4.005 3.474 4.956 0.046 16 0 "[ . 1 . 2]" 1
1222 1 29 TYR QE 1 40 VAL HB 5.900 . 6.790 5.496 3.451 6.525 . 0 0 "[ . 1 . 2]" 1
1223 1 29 TYR QE 1 40 VAL MG2 5.250 . 6.040 4.227 3.072 4.977 . 0 0 "[ . 1 . 2]" 1
1224 1 44 LEU HG 1 58 THR MG 6.000 . 6.900 4.528 3.693 5.350 . 0 0 "[ . 1 . 2]" 1
1225 1 44 LEU QB 1 58 THR MG 6.000 . 6.900 4.613 4.122 5.793 . 0 0 "[ . 1 . 2]" 1
1226 1 45 LYS HD2 1 81 GLU HB2 4.780 . 5.500 2.315 2.052 2.669 . 0 0 "[ . 1 . 2]" 1
1227 1 45 LYS HD2 1 81 GLU HB3 5.160 . 5.930 2.765 2.026 3.322 . 0 0 "[ . 1 . 2]" 1
1228 1 47 TYR HB2 1 48 ILE MD 5.530 . 6.360 4.845 4.530 5.255 . 0 0 "[ . 1 . 2]" 1
1229 1 47 TYR HB3 1 48 ILE MD 6.000 . 6.900 5.705 5.207 6.289 . 0 0 "[ . 1 . 2]" 1
1230 1 57 ARG HG2 1 97 THR MG 3.810 . 4.380 2.771 1.990 4.279 . 0 0 "[ . 1 . 2]" 1
1231 1 57 ARG HG3 1 97 THR MG 3.810 . 4.380 2.781 1.947 4.422 0.042 18 0 "[ . 1 . 2]" 1
1232 1 62 ALA MB 1 96 VAL MG1 4.830 . 5.550 2.471 1.906 4.260 . 0 0 "[ . 1 . 2]" 1
1233 1 66 LYS HA 1 69 GLU HG2 4.790 . 5.510 3.542 2.147 5.221 . 0 0 "[ . 1 . 2]" 1
1234 1 66 LYS HA 1 69 GLU HG3 4.790 . 5.510 3.717 3.275 5.684 0.174 11 0 "[ . 1 . 2]" 1
1235 1 67 GLU HA 1 70 LYS HG2 4.800 . 5.520 2.194 1.889 4.076 . 0 0 "[ . 1 . 2]" 1
1236 1 64 THR MG 1 67 GLU HA 5.850 . 6.730 6.347 6.015 6.577 . 0 0 "[ . 1 . 2]" 1
1237 1 63 ARG H 1 67 GLU HB2 4.610 . 5.300 3.537 2.197 4.882 . 0 0 "[ . 1 . 2]" 1
1238 1 63 ARG H 1 67 GLU HB3 5.090 . 5.850 3.956 2.815 5.255 . 0 0 "[ . 1 . 2]" 1
1239 1 67 GLU HB2 1 68 ALA MB 5.600 . 6.440 4.129 3.836 4.557 . 0 0 "[ . 1 . 2]" 1
1240 1 67 GLU HB3 1 68 ALA MB 6.000 . 6.900 4.806 4.568 5.122 . 0 0 "[ . 1 . 2]" 1
1241 1 67 GLU HA 1 70 LYS HD2 5.360 . 6.160 3.341 2.223 4.259 . 0 0 "[ . 1 . 2]" 1
1242 1 12 ILE HB 1 71 PHE HZ 5.530 . 6.360 5.717 5.121 6.253 . 0 0 "[ . 1 . 2]" 1
1243 1 74 ILE HA 1 77 LYS HE2 6.000 . 6.900 5.150 4.021 6.792 . 0 0 "[ . 1 . 2]" 1
1244 1 74 ILE HA 1 77 LYS HE3 6.000 . 6.900 5.460 2.804 6.943 0.043 2 0 "[ . 1 . 2]" 1
1245 1 71 PHE HB3 1 74 ILE HB 5.020 . 5.770 4.829 4.336 5.339 . 0 0 "[ . 1 . 2]" 1
1246 1 41 LEU HG 1 74 ILE MG 4.180 . 4.810 4.194 3.790 4.533 . 0 0 "[ . 1 . 2]" 1
1247 1 76 ILE MG 1 80 ALA MB 3.310 . 3.810 3.080 2.801 3.267 . 0 0 "[ . 1 . 2]" 1
1248 1 45 LYS HB2 1 82 LEU MD2 4.460 . 5.130 4.253 3.771 4.792 . 0 0 "[ . 1 . 2]" 1
1249 1 49 LYS HB2 1 82 LEU MD2 4.410 . 5.070 2.033 1.759 2.198 0.041 6 0 "[ . 1 . 2]" 1
1250 1 49 LYS HB2 1 82 LEU MD1 4.410 . 5.070 3.877 2.588 4.625 . 0 0 "[ . 1 . 2]" 1
1251 1 80 ALA MB 1 82 LEU HG 6.000 . 6.900 6.126 5.938 6.431 . 0 0 "[ . 1 . 2]" 1
1252 1 80 ALA MB 1 87 ILE MD 3.470 . 3.990 3.658 3.061 4.137 0.147 12 0 "[ . 1 . 2]" 1
1253 1 72 ALA HA 1 96 VAL MG1 4.410 . 5.070 3.406 2.386 4.458 . 0 0 "[ . 1 . 2]" 1
1254 1 8 ARG HB3 1 8 ARG QD 3.570 . 4.110 2.778 2.269 3.575 . 0 0 "[ . 1 . 2]" 1
1255 1 8 ARG HB2 1 8 ARG QD 3.570 . 4.110 2.832 2.371 3.562 . 0 0 "[ . 1 . 2]" 1
1256 1 8 ARG HA 1 8 ARG QD 4.280 . 4.920 3.396 2.036 4.361 . 0 0 "[ . 1 . 2]" 1
1257 1 8 ARG HA 1 8 ARG QG 3.070 . 3.530 2.719 2.380 3.413 . 0 0 "[ . 1 . 2]" 1
1258 1 86 ASP HB3 1 87 ILE H 4.630 . 5.320 3.775 2.658 4.567 . 0 0 "[ . 1 . 2]" 1
1259 1 86 ASP HB2 1 87 ILE H 4.630 . 5.320 4.265 3.781 4.543 . 0 0 "[ . 1 . 2]" 1
1260 1 16 ASN H 1 28 THR MG 5.130 . 5.900 4.580 3.953 5.351 . 0 0 "[ . 1 . 2]" 1
1261 1 14 VAL H 1 30 THR HA 3.640 . 4.190 3.226 2.944 3.943 . 0 0 "[ . 1 . 2]" 1
1262 1 36 GLU HA 1 39 LYS HD2 5.120 . 5.890 3.888 1.792 5.504 0.008 18 0 "[ . 1 . 2]" 1
1263 1 36 GLU HA 1 39 LYS HD3 5.120 . 5.890 3.291 1.812 5.563 . 0 0 "[ . 1 . 2]" 1
1264 1 36 GLU HA 1 39 LYS HE2 6.000 . 6.900 3.999 1.915 5.517 . 0 0 "[ . 1 . 2]" 1
1265 1 36 GLU HA 1 39 LYS HE3 6.000 . 6.900 4.022 2.145 5.780 . 0 0 "[ . 1 . 2]" 1
1266 1 41 LEU HA 1 44 LEU MD1 4.210 . 4.840 3.812 2.797 4.852 0.012 4 0 "[ . 1 . 2]" 1
1267 1 41 LEU HA 1 44 LEU MD2 4.210 . 4.840 2.998 1.812 3.863 . 0 0 "[ . 1 . 2]" 1
1268 1 27 TYR QD 1 48 ILE HG13 5.070 . 5.830 4.460 3.506 5.593 . 0 0 "[ . 1 . 2]" 1
1269 1 27 TYR QD 1 48 ILE HG12 6.000 . 6.900 4.322 3.224 5.997 . 0 0 "[ . 1 . 2]" 1
1270 1 48 ILE MG 1 56 SER HB2 5.210 . 5.990 2.797 1.985 3.829 . 0 0 "[ . 1 . 2]" 1
1271 1 48 ILE MG 1 56 SER HB3 5.210 . 5.990 2.628 2.142 3.611 . 0 0 "[ . 1 . 2]" 1
1272 1 18 ASN HB2 1 48 ILE MG 5.780 . 6.650 5.323 4.079 6.502 . 0 0 "[ . 1 . 2]" 1
1273 1 18 ASN HB3 1 48 ILE MG 5.780 . 6.650 4.985 3.939 6.360 . 0 0 "[ . 1 . 2]" 1
1274 1 45 LYS HA 1 48 ILE HG12 5.530 . 6.360 5.029 4.271 5.976 . 0 0 "[ . 1 . 2]" 1
1275 1 29 TYR HB2 1 29 TYR QD 3.270 . 3.760 2.383 2.335 2.467 . 0 0 "[ . 1 . 2]" 1
1276 1 47 TYR HB2 1 47 TYR QD 3.230 . 3.710 2.461 2.321 2.767 . 0 0 "[ . 1 . 2]" 1
1277 1 71 PHE HA 1 71 PHE HD1 3.340 . 3.840 2.075 1.947 2.224 . 0 0 "[ . 1 . 2]" 1
1278 1 71 PHE HB3 1 71 PHE HD1 3.290 . 3.780 3.260 3.038 3.499 . 0 0 "[ . 1 . 2]" 1
1279 1 79 TYR HA 1 79 TYR QD 4.030 . 4.630 2.930 2.537 3.113 . 0 0 "[ . 1 . 2]" 1
1280 1 84 TYR HA 1 84 TYR HE2 4.690 . 5.390 5.480 4.984 6.056 0.666 16 4 "[ - .* 1 *+ 2]" 1
1281 1 91 TRP HA 1 91 TRP HD1 3.910 . 4.500 2.497 2.261 3.053 . 0 0 "[ . 1 . 2]" 1
1282 1 91 TRP HB2 1 91 TRP HE3 4.090 . 4.700 3.663 3.219 4.093 . 0 0 "[ . 1 . 2]" 1
1283 1 29 TYR QD 1 40 VAL MG2 3.820 . 4.390 3.437 2.675 4.066 . 0 0 "[ . 1 . 2]" 1
1284 1 29 TYR QE 1 40 VAL MG1 5.250 . 6.040 3.775 3.004 5.065 . 0 0 "[ . 1 . 2]" 1
1285 1 29 TYR QD 1 40 VAL MG1 3.820 . 4.390 2.945 2.165 3.797 . 0 0 "[ . 1 . 2]" 1
1286 1 12 ILE MD 1 71 PHE HZ 3.660 . 4.210 2.456 2.180 2.788 . 0 0 "[ . 1 . 2]" 1
1287 1 60 ILE MG 1 71 PHE HZ 5.050 . 5.810 4.968 4.449 5.664 . 0 0 "[ . 1 . 2]" 1
1288 1 70 LYS HG2 1 71 PHE HD1 4.510 . 5.190 4.081 2.310 4.636 . 0 0 "[ . 1 . 2]" 1
1289 1 71 PHE HD1 1 74 ILE MD 3.510 . 4.040 2.717 2.035 3.276 . 0 0 "[ . 1 . 2]" 1
1290 1 60 ILE MG 1 71 PHE HD1 3.780 . 4.350 4.170 3.726 4.433 0.083 9 0 "[ . 1 . 2]" 1
1291 1 62 ALA MB 1 91 TRP HD1 4.420 . 5.080 3.492 2.384 4.586 . 0 0 "[ . 1 . 2]" 1
1292 1 58 THR HB 1 79 TYR QE 4.140 . 4.760 2.690 2.230 3.414 . 0 0 "[ . 1 . 2]" 1
1293 1 48 ILE MG 1 79 TYR QE 4.970 . 5.720 4.267 2.527 5.291 . 0 0 "[ . 1 . 2]" 1
1294 1 29 TYR HB2 1 29 TYR QE 4.700 . 5.400 4.444 4.432 4.456 . 0 0 "[ . 1 . 2]" 1
1295 1 29 TYR QE 1 44 LEU HA 4.560 . 5.240 4.010 2.793 4.877 . 0 0 "[ . 1 . 2]" 1
1296 1 14 VAL HB 1 29 TYR QD 3.580 . 4.120 2.998 2.113 3.514 . 0 0 "[ . 1 . 2]" 1
1297 1 14 VAL MG2 1 29 TYR QD 3.870 . 4.450 4.040 2.926 4.463 0.013 7 0 "[ . 1 . 2]" 1
1298 1 29 TYR QE 1 44 LEU QB 4.210 . 4.840 3.035 1.826 3.714 . 0 0 "[ . 1 . 2]" 1
1299 1 29 TYR H 1 29 TYR QD 3.780 . 4.350 3.141 2.875 3.465 . 0 0 "[ . 1 . 2]" 1
1300 1 27 TYR QD 1 44 LEU MD1 4.460 . 5.130 3.049 1.920 4.517 . 0 0 "[ . 1 . 2]" 1
1301 1 27 TYR QD 1 44 LEU MD2 4.460 . 5.130 4.312 2.981 5.197 0.067 6 0 "[ . 1 . 2]" 1
1302 1 12 ILE HG13 1 71 PHE HZ 4.250 . 4.890 4.482 3.814 4.920 0.030 11 0 "[ . 1 . 2]" 1
1303 1 34 GLU HG2 1 71 PHE HZ 5.150 . 5.920 3.101 1.846 5.506 . 0 0 "[ . 1 . 2]" 1
1304 1 60 ILE MG 1 71 PHE HE1 4.690 . 5.390 5.065 4.643 5.490 0.100 1 0 "[ . 1 . 2]" 1
1305 1 37 LEU MD1 1 71 PHE HE1 4.970 . 5.720 5.117 2.966 5.758 0.038 5 0 "[ . 1 . 2]" 1
1306 1 71 PHE HE1 1 74 ILE MD 4.090 . 4.700 4.060 3.410 4.513 . 0 0 "[ . 1 . 2]" 1
1307 1 70 LYS HG3 1 71 PHE HE1 4.150 . 4.770 3.306 2.908 4.497 . 0 0 "[ . 1 . 2]" 1
1308 1 37 LEU MD1 1 71 PHE HD1 4.780 . 5.500 4.705 2.541 5.413 . 0 0 "[ . 1 . 2]" 1
1309 1 48 ILE MD 1 79 TYR QD 4.950 . 5.690 4.379 3.338 5.023 . 0 0 "[ . 1 . 2]" 1
1310 1 91 TRP HD1 1 96 VAL HB 4.420 . 5.080 3.736 2.245 4.907 . 0 0 "[ . 1 . 2]" 1
1311 1 91 TRP HD1 1 92 ASP H 4.760 . 5.470 3.242 2.287 4.192 . 0 0 "[ . 1 . 2]" 1
1312 1 27 TYR QE 1 48 ILE MG 4.470 . 5.140 5.022 4.113 5.281 0.141 17 0 "[ . 1 . 2]" 1
1313 1 27 TYR QD 1 44 LEU QB 4.840 . 5.570 4.692 3.486 5.388 . 0 0 "[ . 1 . 2]" 1
1314 1 27 TYR QD 1 44 LEU HG 4.840 . 5.570 3.822 2.657 4.983 . 0 0 "[ . 1 . 2]" 1
1315 1 27 TYR QE 1 48 ILE HB 5.470 . 6.290 5.772 4.726 6.345 0.055 4 0 "[ . 1 . 2]" 1
1316 1 8 ARG QB 1 8 ARG QD 3.130 . 3.600 2.429 2.145 2.893 . 0 0 "[ . 1 . 2]" 1
1317 1 11 ASP H 1 11 ASP QB 2.870 . 3.300 2.502 2.383 2.804 . 0 0 "[ . 1 . 2]" 1
1318 1 11 ASP QB 1 12 ILE H 3.040 . 3.500 2.767 2.346 3.344 . 0 0 "[ . 1 . 2]" 1
1319 1 11 ASP QB 1 30 THR HB 5.390 . 6.200 4.945 4.357 6.219 0.019 15 0 "[ . 1 . 2]" 1
1320 1 11 ASP QB 1 30 THR MG 3.030 . 3.480 2.436 1.953 3.587 0.107 15 0 "[ . 1 . 2]" 1
1321 1 11 ASP QB 1 31 VAL H 4.890 . 5.620 4.299 3.809 5.351 . 0 0 "[ . 1 . 2]" 1
1322 1 11 ASP QB 1 32 THR MG 5.030 . 5.780 4.947 3.992 5.555 . 0 0 "[ . 1 . 2]" 1
1323 1 12 ILE HB 1 37 LEU QD 5.090 . 5.850 3.435 3.090 4.000 . 0 0 "[ . 1 . 2]" 1
1324 1 12 ILE MD 1 37 LEU QB 5.300 . 6.100 2.818 2.413 4.444 . 0 0 "[ . 1 . 2]" 1
1325 1 12 ILE MD 1 37 LEU QD 3.660 . 4.210 2.290 1.909 3.468 . 0 0 "[ . 1 . 2]" 1
1326 1 13 GLN H 1 13 GLN QB 3.530 . 4.060 2.328 2.258 2.424 . 0 0 "[ . 1 . 2]" 1
1327 1 13 GLN H 1 14 VAL QG 4.980 . 5.730 4.473 4.221 4.846 . 0 0 "[ . 1 . 2]" 1
1328 1 13 GLN HA 1 14 VAL QG 4.080 . 4.690 3.504 3.239 3.831 . 0 0 "[ . 1 . 2]" 1
1329 1 13 GLN QB 1 30 THR MG 4.020 . 4.620 3.143 2.532 4.611 . 0 0 "[ . 1 . 2]" 1
1330 1 13 GLN QB 1 61 THR HB 4.270 . 4.910 3.865 3.514 4.453 . 0 0 "[ . 1 . 2]" 1
1331 1 13 GLN QB 1 61 THR MG 4.820 . 5.540 3.836 3.546 4.436 . 0 0 "[ . 1 . 2]" 1
1332 1 13 GLN QG 1 14 VAL H 3.590 . 4.130 3.098 2.539 3.801 . 0 0 "[ . 1 . 2]" 1
1333 1 13 GLN QG 1 14 VAL QG 4.820 . 5.540 4.357 4.171 5.006 . 0 0 "[ . 1 . 2]" 1
1334 1 13 GLN QG 1 28 THR HB 5.810 . 6.680 5.553 4.716 6.319 . 0 0 "[ . 1 . 2]" 1
1335 1 13 GLN QG 1 28 THR MG 3.580 . 4.120 2.838 2.195 3.464 . 0 0 "[ . 1 . 2]" 1
1336 1 13 GLN QG 1 30 THR MG 4.250 . 4.890 3.707 2.951 4.320 . 0 0 "[ . 1 . 2]" 1
1337 1 13 GLN QE 1 15 GLN QB 5.580 . 6.420 3.533 1.757 6.497 0.077 14 0 "[ . 1 . 2]" 1
1338 1 13 GLN QE 1 28 THR MG 3.720 . 4.280 2.940 2.144 4.203 . 0 0 "[ . 1 . 2]" 1
1339 1 14 VAL H 1 14 VAL QG 3.080 . 3.540 2.309 2.105 2.739 . 0 0 "[ . 1 . 2]" 1
1340 1 14 VAL HB 1 40 VAL QG 4.980 . 5.730 3.333 2.318 3.960 . 0 0 "[ . 1 . 2]" 1
1341 1 14 VAL QG 1 15 GLN H 3.190 . 3.670 3.046 2.702 3.228 . 0 0 "[ . 1 . 2]" 1
1342 1 14 VAL QG 1 15 GLN HA 4.490 . 5.160 3.867 3.597 4.068 . 0 0 "[ . 1 . 2]" 1
1343 1 14 VAL QG 1 15 GLN QB 5.190 . 5.970 4.485 4.280 4.664 . 0 0 "[ . 1 . 2]" 1
1344 1 14 VAL QG 1 15 GLN QG 5.280 . 6.070 5.074 4.335 5.526 . 0 0 "[ . 1 . 2]" 1
1345 1 14 VAL QG 1 16 ASN H 5.240 . 6.030 4.143 3.366 4.861 . 0 0 "[ . 1 . 2]" 1
1346 1 14 VAL QG 1 28 THR HA 5.870 . 6.750 4.186 3.607 4.905 . 0 0 "[ . 1 . 2]" 1
1347 1 14 VAL QG 1 28 THR MG 4.420 . 5.080 4.601 4.269 5.167 0.087 4 0 "[ . 1 . 2]" 1
1348 1 14 VAL QG 1 29 TYR H 4.230 . 4.860 3.587 3.354 4.051 . 0 0 "[ . 1 . 2]" 1
1349 1 14 VAL QG 1 29 TYR HA 5.530 . 6.360 4.964 4.572 5.306 . 0 0 "[ . 1 . 2]" 1
1350 1 14 VAL QG 1 29 TYR HB2 4.800 . 5.520 3.011 2.415 3.380 . 0 0 "[ . 1 . 2]" 1
1351 1 14 VAL QG 1 29 TYR HB3 4.610 . 5.300 4.075 3.394 4.555 . 0 0 "[ . 1 . 2]" 1
1352 1 14 VAL QG 1 29 TYR QD 3.140 . 3.610 3.038 2.221 3.620 0.010 13 0 "[ . 1 . 2]" 1
1353 1 14 VAL QG 1 31 VAL H 3.730 . 4.290 3.628 2.984 4.139 . 0 0 "[ . 1 . 2]" 1
1354 1 14 VAL QG 1 37 LEU QD 3.950 . 4.540 2.015 1.810 2.513 . 0 0 "[ . 1 . 2]" 1
1355 1 14 VAL QG 1 40 VAL QG 3.270 . 3.760 2.381 1.829 3.006 . 0 0 "[ . 1 . 2]" 1
1356 1 14 VAL QG 1 58 THR MG 3.080 . 3.540 2.480 2.080 2.972 . 0 0 "[ . 1 . 2]" 1
1357 1 14 VAL QG 1 59 SER H 4.410 . 5.070 4.034 3.450 5.106 0.036 4 0 "[ . 1 . 2]" 1
1358 1 14 VAL QG 1 60 ILE HA 3.780 . 4.350 3.127 2.734 3.528 . 0 0 "[ . 1 . 2]" 1
1359 1 14 VAL QG 1 60 ILE HB 5.570 . 6.410 4.326 3.994 4.825 . 0 0 "[ . 1 . 2]" 1
1360 1 14 VAL QG 1 60 ILE MG 2.890 . 3.320 2.639 2.146 3.257 . 0 0 "[ . 1 . 2]" 1
1361 1 14 VAL QG 1 60 ILE HG12 2.900 . 3.340 2.088 1.805 2.608 . 0 0 "[ . 1 . 2]" 1
1362 1 14 VAL QG 1 60 ILE HG13 3.970 . 4.570 3.095 2.707 3.658 . 0 0 "[ . 1 . 2]" 1
1363 1 15 GLN H 1 15 GLN QG 4.230 . 4.860 3.745 2.640 4.251 . 0 0 "[ . 1 . 2]" 1
1364 1 15 GLN H 1 59 SER QB 4.370 . 5.030 3.729 2.839 4.579 . 0 0 "[ . 1 . 2]" 1
1365 1 15 GLN HA 1 15 GLN QG 3.410 . 3.920 2.520 2.417 2.861 . 0 0 "[ . 1 . 2]" 1
1366 1 15 GLN HA 1 15 GLN QE 4.460 . 5.130 4.370 3.625 4.760 . 0 0 "[ . 1 . 2]" 1
1367 1 15 GLN HA 1 44 LEU QD 5.740 . 6.600 4.763 3.700 5.512 . 0 0 "[ . 1 . 2]" 1
1368 1 15 GLN HA 1 59 SER QB 5.660 . 6.510 5.473 4.682 6.325 . 0 0 "[ . 1 . 2]" 1
1369 1 15 GLN QB 1 15 GLN QG 2.280 . 2.620 2.094 2.013 2.115 . 0 0 "[ . 1 . 2]" 1
1370 1 15 GLN QB 1 16 ASN H 4.220 . 4.850 3.643 2.759 3.974 . 0 0 "[ . 1 . 2]" 1
1371 1 15 GLN QB 1 28 THR MG 4.080 . 4.690 3.123 1.922 4.522 . 0 0 "[ . 1 . 2]" 1
1372 1 15 GLN QB 1 59 SER H 4.050 . 4.660 3.739 3.007 4.271 . 0 0 "[ . 1 . 2]" 1
1373 1 15 GLN QB 1 59 SER QB 3.520 . 4.050 3.064 1.800 3.909 0.000 15 0 "[ . 1 . 2]" 1
1374 1 15 GLN QB 1 95 THR MG 5.450 . 6.270 4.470 3.756 5.070 . 0 0 "[ . 1 . 2]" 1
1375 1 15 GLN QG 1 16 ASN H 4.030 . 4.630 3.550 2.810 4.587 . 0 0 "[ . 1 . 2]" 1
1376 1 15 GLN QG 1 28 THR HA 5.030 . 5.780 3.877 2.944 4.888 . 0 0 "[ . 1 . 2]" 1
1377 1 15 GLN QG 1 28 THR HB 5.310 . 6.110 4.608 4.010 6.136 0.026 11 0 "[ . 1 . 2]" 1
1378 1 15 GLN QG 1 28 THR MG 3.200 . 3.680 2.858 1.776 3.675 0.024 19 0 "[ . 1 . 2]" 1
1379 1 15 GLN QG 1 59 SER QB 4.370 . 5.030 4.449 3.536 5.124 0.094 10 0 "[ . 1 . 2]" 1
1380 1 15 GLN QE 1 28 THR MG 3.940 . 4.530 3.417 2.112 4.388 . 0 0 "[ . 1 . 2]" 1
1381 1 16 ASN H 1 16 ASN QB 3.640 . 4.190 2.475 2.295 2.795 . 0 0 "[ . 1 . 2]" 1
1382 1 16 ASN H 1 44 LEU QD 5.790 . 6.660 3.947 3.183 5.104 . 0 0 "[ . 1 . 2]" 1
1383 1 16 ASN HA 1 44 LEU QD 4.860 . 5.590 4.080 3.696 4.558 . 0 0 "[ . 1 . 2]" 1
1384 1 16 ASN QB 1 17 ASN H 4.050 . 4.660 3.630 2.969 3.944 . 0 0 "[ . 1 . 2]" 1
1385 1 16 ASN QB 1 44 LEU QD 3.620 . 4.160 2.260 1.719 3.682 0.081 17 0 "[ . 1 . 2]" 1
1386 1 16 ASN QB 1 48 ILE HG12 5.780 . 6.650 4.382 3.312 5.486 . 0 0 "[ . 1 . 2]" 1
1387 1 16 ASN QB 1 58 THR HA 5.110 . 5.880 3.375 2.658 4.059 . 0 0 "[ . 1 . 2]" 1
1388 1 16 ASN QB 1 58 THR MG 3.720 . 4.280 2.950 2.160 4.199 . 0 0 "[ . 1 . 2]" 1
1389 1 17 ASN H 1 57 ARG QB 4.340 . 4.990 3.330 2.696 4.507 . 0 0 "[ . 1 . 2]" 1
1390 1 17 ASN H 1 57 ARG QG 5.180 . 5.960 4.244 2.717 5.516 . 0 0 "[ . 1 . 2]" 1
1391 1 17 ASN QB 1 18 ASN H 4.260 . 4.900 3.670 3.036 3.958 . 0 0 "[ . 1 . 2]" 1
1392 1 17 ASN QB 1 57 ARG H 4.910 . 5.650 3.514 2.609 4.287 . 0 0 "[ . 1 . 2]" 1
1393 1 17 ASN QB 1 57 ARG QB 3.530 . 4.060 2.514 1.755 4.092 0.045 11 0 "[ . 1 . 2]" 1
1394 1 17 ASN QB 1 57 ARG QG 4.120 . 4.740 3.733 1.921 4.766 0.026 20 0 "[ . 1 . 2]" 1
1395 1 17 ASN QB 1 57 ARG QD 4.590 . 5.280 3.383 2.104 4.466 . 0 0 "[ . 1 . 2]" 1
1396 1 17 ASN QB 1 58 THR HA 5.420 . 6.230 5.247 4.398 5.909 . 0 0 "[ . 1 . 2]" 1
1397 1 18 ASN HA 1 56 SER QB 5.380 . 6.190 3.601 2.889 4.853 . 0 0 "[ . 1 . 2]" 1
1398 1 18 ASN QB 1 48 ILE MG 4.980 . 5.730 4.487 3.738 5.587 . 0 0 "[ . 1 . 2]" 1
1399 1 27 TYR QD 1 44 LEU QD 3.770 . 4.340 2.875 1.916 4.254 . 0 0 "[ . 1 . 2]" 1
1400 1 27 TYR QE 1 44 LEU QD 4.720 . 5.430 3.821 2.387 5.256 . 0 0 "[ . 1 . 2]" 1
1401 1 28 THR HA 1 44 LEU QD 5.920 . 6.810 4.669 3.931 5.280 . 0 0 "[ . 1 . 2]" 1
1402 1 29 TYR HA 1 40 VAL QG 5.810 . 6.680 4.489 4.028 4.926 . 0 0 "[ . 1 . 2]" 1
1403 1 29 TYR HB2 1 40 VAL QG 4.880 . 5.610 2.586 1.958 2.868 . 0 0 "[ . 1 . 2]" 1
1404 1 29 TYR HB3 1 40 VAL QG 4.500 . 5.180 2.731 2.101 3.229 . 0 0 "[ . 1 . 2]" 1
1405 1 29 TYR QE 1 40 VAL QG 4.360 . 5.010 3.331 2.933 3.911 . 0 0 "[ . 1 . 2]" 1
1406 1 29 TYR QE 1 44 LEU QD 3.190 . 3.670 2.281 1.767 3.070 0.033 20 0 "[ . 1 . 2]" 1
1407 1 29 TYR QD 1 40 VAL QG 3.340 . 3.840 2.629 2.145 2.995 . 0 0 "[ . 1 . 2]" 1
1408 1 29 TYR QD 1 44 LEU QD 4.170 . 4.800 2.788 1.998 3.553 . 0 0 "[ . 1 . 2]" 1
1409 1 31 VAL H 1 37 LEU QD 5.200 . 5.980 4.802 4.406 5.253 . 0 0 "[ . 1 . 2]" 1
1410 1 31 VAL H 1 40 VAL QG 5.920 . 6.810 4.767 4.139 5.295 . 0 0 "[ . 1 . 2]" 1
1411 1 31 VAL HB 1 37 LEU QD 4.760 . 5.470 4.822 4.355 5.383 . 0 0 "[ . 1 . 2]" 1
1412 1 31 VAL MG1 1 36 GLU QG 4.030 . 4.630 3.815 3.466 4.223 . 0 0 "[ . 1 . 2]" 1
1413 1 31 VAL MG1 1 37 LEU QD 3.800 . 4.370 3.832 3.326 4.484 0.114 7 0 "[ . 1 . 2]" 1
1414 1 31 VAL MG1 1 40 VAL QG 2.860 . 3.290 2.187 1.946 2.659 . 0 0 "[ . 1 . 2]" 1
1415 1 31 VAL MG2 1 37 LEU QB 3.650 . 4.200 2.245 1.773 3.936 0.027 6 0 "[ . 1 . 2]" 1
1416 1 31 VAL MG2 1 37 LEU QD 2.730 . 3.140 2.618 2.235 3.053 . 0 0 "[ . 1 . 2]" 1
1417 1 31 VAL MG2 1 40 VAL QG 4.240 . 4.880 3.243 2.607 3.933 . 0 0 "[ . 1 . 2]" 1
1418 1 33 THR MG 1 34 GLU QG 4.380 . 5.040 4.128 3.562 5.023 . 0 0 "[ . 1 . 2]" 1
1419 1 33 THR MG 1 35 SER QB 4.500 . 5.180 2.768 2.100 3.612 . 0 0 "[ . 1 . 2]" 1
1420 1 34 GLU HA 1 34 GLU QG 3.230 . 3.710 2.516 2.401 2.591 . 0 0 "[ . 1 . 2]" 1
1421 1 34 GLU HA 1 37 LEU QB 3.530 . 4.060 2.363 1.901 2.872 . 0 0 "[ . 1 . 2]" 1
1422 1 34 GLU HA 1 37 LEU QD 4.350 . 5.000 3.115 2.195 3.834 . 0 0 "[ . 1 . 2]" 1
1423 1 34 GLU QB 1 35 SER QB 5.810 . 6.680 4.509 4.028 4.887 . 0 0 "[ . 1 . 2]" 1
1424 1 34 GLU QG 1 37 LEU QD 5.730 . 6.590 3.563 2.619 4.634 . 0 0 "[ . 1 . 2]" 1
1425 1 34 GLU QG 1 71 PHE HZ 4.410 . 5.070 2.805 1.840 4.207 . 0 0 "[ . 1 . 2]" 1
1426 1 34 GLU QG 1 71 PHE HE1 4.230 . 4.860 2.465 1.836 3.311 . 0 0 "[ . 1 . 2]" 1
1427 1 35 SER HA 1 38 GLN QB 3.280 . 3.770 3.024 2.705 3.615 . 0 0 "[ . 1 . 2]" 1
1428 1 35 SER HA 1 38 GLN QG 4.910 . 5.650 3.611 2.268 4.915 . 0 0 "[ . 1 . 2]" 1
1429 1 35 SER QB 1 36 GLU H 3.770 . 4.340 2.953 2.545 3.504 . 0 0 "[ . 1 . 2]" 1
1430 1 35 SER QB 1 36 GLU QG 5.280 . 6.070 3.751 3.009 5.237 . 0 0 "[ . 1 . 2]" 1
1431 1 35 SER QB 1 38 GLN QB 4.040 . 4.650 4.386 4.065 4.744 0.094 14 0 "[ . 1 . 2]" 1
1432 1 35 SER QB 1 38 GLN QG 4.970 . 5.720 5.111 3.893 5.971 0.251 5 0 "[ . 1 . 2]" 1
1433 1 36 GLU H 1 36 GLU QG 3.340 . 3.840 2.255 1.883 3.613 . 0 0 "[ . 1 . 2]" 1
1434 1 36 GLU HA 1 36 GLU QG 3.400 . 3.910 2.927 2.483 3.230 . 0 0 "[ . 1 . 2]" 1
1435 1 36 GLU HA 1 39 LYS QB 3.890 . 4.470 3.264 2.377 4.382 . 0 0 "[ . 1 . 2]" 1
1436 1 36 GLU HA 1 39 LYS QG 4.660 . 5.360 2.930 2.095 3.835 . 0 0 "[ . 1 . 2]" 1
1437 1 36 GLU HA 1 39 LYS QD 4.390 . 5.050 2.920 1.776 4.757 0.024 18 0 "[ . 1 . 2]" 1
1438 1 36 GLU HA 1 39 LYS QE 5.210 . 5.990 3.441 1.847 5.023 . 0 0 "[ . 1 . 2]" 1
1439 1 36 GLU HB2 1 36 GLU QG 2.490 . 2.860 2.229 2.163 2.397 . 0 0 "[ . 1 . 2]" 1
1440 1 36 GLU HB3 1 36 GLU QG 2.610 . 3.000 2.331 2.168 2.378 . 0 0 "[ . 1 . 2]" 1
1441 1 36 GLU HB3 1 40 VAL QG 4.910 . 5.650 3.647 2.872 4.617 . 0 0 "[ . 1 . 2]" 1
1442 1 36 GLU QG 1 37 LEU H 4.570 . 5.260 4.048 3.679 4.747 . 0 0 "[ . 1 . 2]" 1
1443 1 37 LEU H 1 37 LEU QB 2.920 . 3.360 2.235 2.155 2.423 . 0 0 "[ . 1 . 2]" 1
1444 1 37 LEU H 1 37 LEU QD 3.910 . 4.500 3.753 3.266 3.837 . 0 0 "[ . 1 . 2]" 1
1445 1 37 LEU H 1 41 LEU QD 5.920 . 6.810 5.633 5.080 5.968 . 0 0 "[ . 1 . 2]" 1
1446 1 37 LEU HA 1 37 LEU QD 3.100 . 3.570 2.258 2.011 3.225 . 0 0 "[ . 1 . 2]" 1
1447 1 37 LEU HA 1 40 VAL QG 3.920 . 4.510 2.601 1.899 3.694 . 0 0 "[ . 1 . 2]" 1
1448 1 37 LEU HA 1 41 LEU QD 4.960 . 5.700 4.130 3.293 4.370 . 0 0 "[ . 1 . 2]" 1
1449 1 37 LEU QB 1 38 GLN H 3.290 . 3.780 2.526 2.354 2.722 . 0 0 "[ . 1 . 2]" 1
1450 1 37 LEU QB 1 41 LEU QD 4.640 . 5.340 3.894 2.368 4.356 . 0 0 "[ . 1 . 2]" 1
1451 1 37 LEU QB 1 74 ILE MD 5.330 . 6.130 4.214 2.616 5.645 . 0 0 "[ . 1 . 2]" 1
1452 1 37 LEU HG 1 41 LEU QD 4.570 . 5.260 2.552 2.169 4.424 . 0 0 "[ . 1 . 2]" 1
1453 1 37 LEU QD 1 38 GLN HA 5.450 . 6.270 4.048 2.604 5.097 . 0 0 "[ . 1 . 2]" 1
1454 1 37 LEU QD 1 38 GLN QG 5.730 . 6.590 4.152 2.796 5.559 . 0 0 "[ . 1 . 2]" 1
1455 1 37 LEU QD 1 40 VAL H 4.900 . 5.640 4.592 4.265 5.052 . 0 0 "[ . 1 . 2]" 1
1456 1 37 LEU QD 1 40 VAL HB 5.280 . 6.070 4.019 2.703 6.073 0.003 17 0 "[ . 1 . 2]" 1
1457 1 37 LEU QD 1 41 LEU H 4.870 . 5.600 3.959 3.488 4.458 . 0 0 "[ . 1 . 2]" 1
1458 1 37 LEU QD 1 41 LEU HG 4.190 . 4.820 2.499 2.205 3.268 . 0 0 "[ . 1 . 2]" 1
1459 1 37 LEU QD 1 41 LEU QD 2.930 . 3.370 2.104 1.968 2.297 . 0 0 "[ . 1 . 2]" 1
1460 1 37 LEU QD 1 60 ILE MG 3.550 . 4.080 2.176 1.908 2.578 . 0 0 "[ . 1 . 2]" 1
1461 1 37 LEU QD 1 60 ILE HG12 4.700 . 5.400 3.030 2.523 3.864 . 0 0 "[ . 1 . 2]" 1
1462 1 37 LEU QD 1 60 ILE HG13 5.080 . 5.840 4.099 3.680 4.821 . 0 0 "[ . 1 . 2]" 1
1463 1 37 LEU QD 1 60 ILE MD 3.770 . 4.340 1.983 1.763 2.622 0.037 9 0 "[ . 1 . 2]" 1
1464 1 37 LEU QD 1 71 PHE HE1 3.880 . 4.460 2.933 2.456 3.248 . 0 0 "[ . 1 . 2]" 1
1465 1 37 LEU QD 1 71 PHE HD1 3.920 . 4.510 2.675 2.358 2.967 . 0 0 "[ . 1 . 2]" 1
1466 1 37 LEU QD 1 74 ILE MD 4.450 . 5.120 2.846 2.069 4.186 . 0 0 "[ . 1 . 2]" 1
1467 1 38 GLN H 1 38 GLN QB 2.790 . 3.210 2.401 2.182 2.559 . 0 0 "[ . 1 . 2]" 1
1468 1 38 GLN H 1 38 GLN QG 3.640 . 4.190 2.722 2.028 3.990 . 0 0 "[ . 1 . 2]" 1
1469 1 38 GLN H 1 41 LEU QD 4.600 . 5.290 4.558 4.309 4.929 . 0 0 "[ . 1 . 2]" 1
1470 1 38 GLN HA 1 41 LEU QD 3.800 . 4.370 3.087 2.563 3.998 . 0 0 "[ . 1 . 2]" 1
1471 1 38 GLN QB 1 38 GLN QG 2.360 . 2.710 2.078 1.982 2.116 . 0 0 "[ . 1 . 2]" 1
1472 1 38 GLN QB 1 39 LYS H 3.160 . 3.630 2.620 2.377 2.873 . 0 0 "[ . 1 . 2]" 1
1473 1 38 GLN QB 1 39 LYS HA 5.240 . 6.030 4.056 3.824 4.321 . 0 0 "[ . 1 . 2]" 1
1474 1 38 GLN QB 1 40 VAL H 5.090 . 5.850 4.796 4.499 5.097 . 0 0 "[ . 1 . 2]" 1
1475 1 38 GLN QB 1 41 LEU QD 5.030 . 5.780 4.655 4.244 5.375 . 0 0 "[ . 1 . 2]" 1
1476 1 38 GLN QG 1 39 LYS H 4.350 . 5.000 4.007 3.192 4.638 . 0 0 "[ . 1 . 2]" 1
1477 1 38 GLN QG 1 74 ILE MG 5.810 . 6.680 3.492 2.512 5.104 . 0 0 "[ . 1 . 2]" 1
1478 1 38 GLN QG 1 74 ILE MD 5.810 . 6.680 3.054 1.849 4.363 . 0 0 "[ . 1 . 2]" 1
1479 1 39 LYS H 1 39 LYS QB 2.680 . 3.080 2.452 2.194 2.642 . 0 0 "[ . 1 . 2]" 1
1480 1 39 LYS H 1 39 LYS QG 3.340 . 3.840 2.360 2.048 3.089 . 0 0 "[ . 1 . 2]" 1
1481 1 39 LYS H 1 39 LYS QD 4.730 . 5.440 3.881 3.485 4.419 . 0 0 "[ . 1 . 2]" 1
1482 1 39 LYS H 1 40 VAL QG 4.370 . 5.030 4.047 3.653 4.292 . 0 0 "[ . 1 . 2]" 1
1483 1 39 LYS HA 1 39 LYS QG 3.380 . 3.890 2.906 2.414 3.410 . 0 0 "[ . 1 . 2]" 1
1484 1 39 LYS HA 1 40 VAL QG 5.220 . 6.000 4.873 4.538 5.072 . 0 0 "[ . 1 . 2]" 1
1485 1 39 LYS HA 1 42 ASN QB 3.610 . 4.150 3.061 2.414 3.688 . 0 0 "[ . 1 . 2]" 1
1486 1 39 LYS QB 1 39 LYS QD 2.660 . 3.060 2.390 2.180 2.866 . 0 0 "[ . 1 . 2]" 1
1487 1 39 LYS QB 1 39 LYS QE 4.080 . 4.690 2.445 1.933 3.745 . 0 0 "[ . 1 . 2]" 1
1488 1 39 LYS QB 1 40 VAL H 3.760 . 4.320 2.930 2.330 3.667 . 0 0 "[ . 1 . 2]" 1
1489 1 39 LYS QB 1 40 VAL QG 4.430 . 5.090 3.664 2.794 4.827 . 0 0 "[ . 1 . 2]" 1
1490 1 39 LYS QD 1 39 LYS QG 2.350 . 2.700 2.038 2.002 2.116 . 0 0 "[ . 1 . 2]" 1
1491 1 39 LYS QE 1 39 LYS QG 3.270 . 3.760 2.480 2.245 2.890 . 0 0 "[ . 1 . 2]" 1
1492 1 39 LYS QG 1 40 VAL H 4.190 . 4.820 3.406 2.079 4.224 . 0 0 "[ . 1 . 2]" 1
1493 1 39 LYS QD 1 40 VAL H 5.180 . 5.960 4.725 3.989 5.385 . 0 0 "[ . 1 . 2]" 1
1494 1 39 LYS QE 1 40 VAL QG 5.280 . 6.070 4.406 3.086 5.693 . 0 0 "[ . 1 . 2]" 1
1495 1 40 VAL H 1 40 VAL QG 3.010 . 3.460 2.274 1.999 2.521 . 0 0 "[ . 1 . 2]" 1
1496 1 40 VAL HA 1 43 GLU QB 3.670 . 4.220 2.905 2.469 3.446 . 0 0 "[ . 1 . 2]" 1
1497 1 40 VAL QG 1 41 LEU H 4.040 . 4.650 2.807 2.331 3.332 . 0 0 "[ . 1 . 2]" 1
1498 1 40 VAL QG 1 41 LEU HA 5.610 . 6.450 3.240 2.870 3.481 . 0 0 "[ . 1 . 2]" 1
1499 1 40 VAL QG 1 41 LEU QD 3.740 . 4.300 2.836 2.665 3.122 . 0 0 "[ . 1 . 2]" 1
1500 1 40 VAL QG 1 44 LEU HG 5.920 . 6.810 5.144 4.037 6.207 . 0 0 "[ . 1 . 2]" 1
1501 1 40 VAL QG 1 44 LEU QD 4.050 . 4.660 3.011 2.150 3.831 . 0 0 "[ . 1 . 2]" 1
1502 1 41 LEU H 1 41 LEU QD 3.390 . 3.900 3.200 3.083 3.353 . 0 0 "[ . 1 . 2]" 1
1503 1 41 LEU HA 1 41 LEU QD 2.880 . 3.310 1.999 1.965 2.048 . 0 0 "[ . 1 . 2]" 1
1504 1 41 LEU HA 1 44 LEU QD 3.670 . 4.220 2.768 1.810 3.290 . 0 0 "[ . 1 . 2]" 1
1505 1 41 LEU HB2 1 78 VAL QG 3.280 . 3.770 3.336 2.956 3.802 0.032 15 0 "[ . 1 . 2]" 1
1506 1 41 LEU HB3 1 41 LEU QD 3.070 . 3.530 2.174 2.162 2.194 . 0 0 "[ . 1 . 2]" 1
1507 1 41 LEU HB3 1 78 VAL QG 3.670 . 4.220 2.103 1.759 2.629 0.041 5 0 "[ . 1 . 2]" 1
1508 1 41 LEU QD 1 42 ASN H 4.300 . 4.950 4.269 4.179 4.367 . 0 0 "[ . 1 . 2]" 1
1509 1 41 LEU QD 1 44 LEU QB . . 4.850 3.086 2.809 4.113 . 0 0 "[ . 1 . 2]" 1
1510 1 41 LEU QD 1 58 THR MG 3.670 . 4.220 2.662 2.294 3.294 . 0 0 "[ . 1 . 2]" 1
1511 1 41 LEU QD 1 71 PHE HD1 5.600 . 6.440 4.858 4.111 5.621 . 0 0 "[ . 1 . 2]" 1
1512 1 41 LEU QD 1 74 ILE HA 5.920 . 6.810 4.664 4.295 4.907 . 0 0 "[ . 1 . 2]" 1
1513 1 41 LEU QD 1 74 ILE HB 4.330 . 4.980 2.956 2.325 3.314 . 0 0 "[ . 1 . 2]" 1
1514 1 41 LEU QD 1 74 ILE MG 2.790 . 3.210 2.020 1.891 2.102 . 0 0 "[ . 1 . 2]" 1
1515 1 41 LEU QD 1 74 ILE MD 4.070 . 4.680 3.207 2.504 3.633 . 0 0 "[ . 1 . 2]" 1
1516 1 41 LEU QD 1 75 LEU H 5.190 . 5.970 3.911 3.111 4.408 . 0 0 "[ . 1 . 2]" 1
1517 1 41 LEU QD 1 75 LEU HA 3.880 . 4.460 3.197 2.569 3.787 . 0 0 "[ . 1 . 2]" 1
1518 1 41 LEU QD 1 75 LEU HB2 5.920 . 6.810 3.796 2.301 5.192 . 0 0 "[ . 1 . 2]" 1
1519 1 41 LEU QD 1 75 LEU HG 4.670 . 5.370 3.725 2.833 4.912 . 0 0 "[ . 1 . 2]" 1
1520 1 41 LEU QD 1 75 LEU QD 3.090 . 3.550 2.368 1.772 3.396 0.028 5 0 "[ . 1 . 2]" 1
1521 1 41 LEU QD 1 78 VAL HB 4.850 . 5.580 4.085 3.630 4.523 . 0 0 "[ . 1 . 2]" 1
1522 1 41 LEU QD 1 78 VAL QG 2.680 . 3.080 2.462 2.044 2.793 . 0 0 "[ . 1 . 2]" 1
1523 1 41 LEU QD 1 79 TYR QE 5.420 . 6.230 4.932 4.428 5.485 . 0 0 "[ . 1 . 2]" 1
1524 1 41 LEU QD 1 79 TYR QD 5.760 . 6.620 5.302 4.856 5.717 . 0 0 "[ . 1 . 2]" 1
1525 1 42 ASN H 1 42 ASN QB 3.110 . 3.580 2.335 2.247 2.523 . 0 0 "[ . 1 . 2]" 1
1526 1 42 ASN H 1 43 GLU QB 5.250 . 6.040 4.420 4.173 4.766 . 0 0 "[ . 1 . 2]" 1
1527 1 42 ASN HA 1 45 LYS QE 3.500 . 4.030 2.453 1.944 2.914 . 0 0 "[ . 1 . 2]" 1
1528 1 42 ASN QB 1 43 GLU H 3.400 . 3.910 2.579 2.325 2.959 . 0 0 "[ . 1 . 2]" 1
1529 1 42 ASN QB 1 43 GLU HA 5.250 . 6.040 4.159 3.843 4.393 . 0 0 "[ . 1 . 2]" 1
1530 1 43 GLU H 1 43 GLU QB 2.940 . 3.380 2.306 2.179 2.479 . 0 0 "[ . 1 . 2]" 1
1531 1 43 GLU H 1 43 GLU QG 4.580 . 5.270 3.454 2.116 4.107 . 0 0 "[ . 1 . 2]" 1
1532 1 43 GLU HA 1 43 GLU QG 3.530 . 4.060 2.556 2.426 2.972 . 0 0 "[ . 1 . 2]" 1
1533 1 43 GLU HA 1 46 ASP QB 3.730 . 4.290 3.093 2.550 4.347 0.057 6 0 "[ . 1 . 2]" 1
1534 1 43 GLU QB 1 44 LEU H 4.200 . 4.830 2.512 2.246 2.829 . 0 0 "[ . 1 . 2]" 1
1535 1 43 GLU QG 1 46 ASP QB 5.180 . 5.960 4.288 3.513 5.731 . 0 0 "[ . 1 . 2]" 1
1536 1 44 LEU H 1 44 LEU QD 4.750 . 5.460 3.692 2.964 3.790 . 0 0 "[ . 1 . 2]" 1
1537 1 44 LEU HA 1 44 LEU QD 3.640 . 4.190 2.833 2.101 3.481 . 0 0 "[ . 1 . 2]" 1
1538 1 44 LEU QB 1 78 VAL QG 4.970 . 5.720 3.895 3.285 5.148 . 0 0 "[ . 1 . 2]" 1
1539 1 44 LEU HG 1 78 VAL QG 4.790 . 5.510 4.798 4.001 5.442 . 0 0 "[ . 1 . 2]" 1
1540 1 44 LEU QD 1 45 LYS H 4.150 . 4.770 3.431 2.367 4.061 . 0 0 "[ . 1 . 2]" 1
1541 1 44 LEU QD 1 47 TYR H 4.660 . 5.360 4.610 4.074 5.080 . 0 0 "[ . 1 . 2]" 1
1542 1 44 LEU QD 1 47 TYR HB2 4.620 . 5.310 3.705 2.492 4.772 . 0 0 "[ . 1 . 2]" 1
1543 1 44 LEU QD 1 47 TYR HB3 5.280 . 6.070 4.706 3.282 5.656 . 0 0 "[ . 1 . 2]" 1
1544 1 44 LEU QD 1 48 ILE H 4.950 . 5.690 4.076 3.680 4.456 . 0 0 "[ . 1 . 2]" 1
1545 1 44 LEU QD 1 48 ILE HG12 4.310 . 4.960 3.590 2.958 4.199 . 0 0 "[ . 1 . 2]" 1
1546 1 44 LEU QD 1 48 ILE HG13 4.190 . 4.820 2.884 2.225 3.319 . 0 0 "[ . 1 . 2]" 1
1547 1 44 LEU QD 1 48 ILE MD 3.990 . 4.590 2.226 1.869 2.868 . 0 0 "[ . 1 . 2]" 1
1548 1 44 LEU QD 1 58 THR HA 5.300 . 6.100 4.183 3.624 5.150 . 0 0 "[ . 1 . 2]" 1
1549 1 44 LEU QD 1 58 THR MG 2.640 . 3.040 2.416 1.795 3.063 0.023 6 0 "[ . 1 . 2]" 1
1550 1 45 LYS H 1 45 LYS QE 5.520 . 6.350 4.082 3.914 4.319 . 0 0 "[ . 1 . 2]" 1
1551 1 45 LYS HA 1 45 LYS QE 5.140 . 5.910 4.531 4.451 4.756 . 0 0 "[ . 1 . 2]" 1
1552 1 45 LYS HA 1 82 LEU QD 3.230 . 3.710 2.438 2.015 2.857 . 0 0 "[ . 1 . 2]" 1
1553 1 45 LYS HB2 1 78 VAL QG 4.260 . 4.900 1.997 1.740 2.324 0.060 1 0 "[ . 1 . 2]" 1
1554 1 45 LYS HB2 1 82 LEU QD 3.800 . 4.370 3.624 3.366 3.953 . 0 0 "[ . 1 . 2]" 1
1555 1 45 LYS HB3 1 45 LYS QE 3.740 . 4.300 2.023 1.864 2.164 . 0 0 "[ . 1 . 2]" 1
1556 1 45 LYS HB3 1 46 ASP QB 4.900 . 5.640 4.057 3.781 4.421 . 0 0 "[ . 1 . 2]" 1
1557 1 45 LYS QE 1 45 LYS HG2 3.310 . 3.810 2.534 2.441 3.116 . 0 0 "[ . 1 . 2]" 1
1558 1 45 LYS HG2 1 78 VAL QG 3.960 . 4.550 3.746 3.510 4.048 . 0 0 "[ . 1 . 2]" 1
1559 1 45 LYS HG2 1 82 LEU QD 3.030 . 3.480 2.390 1.965 2.714 . 0 0 "[ . 1 . 2]" 1
1560 1 45 LYS HG3 1 82 LEU QD 3.300 . 3.800 2.213 1.965 2.468 . 0 0 "[ . 1 . 2]" 1
1561 1 45 LYS HD2 1 81 GLU QG 5.180 . 5.960 3.498 2.188 4.124 . 0 0 "[ . 1 . 2]" 1
1562 1 45 LYS HD2 1 82 LEU QD 3.330 . 3.830 3.477 3.008 3.846 0.016 8 0 "[ . 1 . 2]" 1
1563 1 45 LYS HD3 1 81 GLU QG 5.050 . 5.810 3.935 2.503 4.791 . 0 0 "[ . 1 . 2]" 1
1564 1 45 LYS HD3 1 82 LEU QD 4.680 . 5.380 3.985 3.757 4.231 . 0 0 "[ . 1 . 2]" 1
1565 1 45 LYS QE 1 46 ASP H 4.470 . 5.140 3.847 3.429 4.238 . 0 0 "[ . 1 . 2]" 1
1566 1 45 LYS QE 1 78 VAL QG 4.550 . 5.230 3.679 3.390 3.995 . 0 0 "[ . 1 . 2]" 1
1567 1 45 LYS QE 1 81 GLU HB2 5.100 . 5.870 4.338 4.116 4.647 . 0 0 "[ . 1 . 2]" 1
1568 1 45 LYS QE 1 81 GLU HB3 4.630 . 5.320 4.310 3.615 4.751 . 0 0 "[ . 1 . 2]" 1
1569 1 45 LYS QE 1 82 LEU QD 4.260 . 4.900 4.049 3.433 4.442 . 0 0 "[ . 1 . 2]" 1
1570 1 46 ASP H 1 46 ASP QB 3.150 . 3.620 2.268 2.221 2.457 . 0 0 "[ . 1 . 2]" 1
1571 1 46 ASP HA 1 49 LYS QD 3.680 . 4.230 3.718 3.227 4.206 . 0 0 "[ . 1 . 2]" 1
1572 1 46 ASP QB 1 47 TYR H 3.370 . 3.880 2.744 2.516 3.039 . 0 0 "[ . 1 . 2]" 1
1573 1 46 ASP QB 1 47 TYR HA 4.830 . 5.550 4.253 4.004 4.381 . 0 0 "[ . 1 . 2]" 1
1574 1 46 ASP QB 1 47 TYR QD 3.960 . 4.550 3.592 2.277 4.271 . 0 0 "[ . 1 . 2]" 1
1575 1 46 ASP QB 1 49 LYS HB2 5.810 . 6.680 5.369 4.907 5.803 . 0 0 "[ . 1 . 2]" 1
1576 1 46 ASP QB 1 49 LYS HB3 5.810 . 6.680 4.635 3.824 5.154 . 0 0 "[ . 1 . 2]" 1
1577 1 47 TYR HA 1 50 LYS QB 3.470 . 3.990 2.760 2.259 3.482 . 0 0 "[ . 1 . 2]" 1
1578 1 47 TYR HA 1 50 LYS QD 4.810 . 5.530 4.370 3.246 5.678 0.148 15 0 "[ . 1 . 2]" 1
1579 1 47 TYR HA 1 50 LYS QE 4.420 . 5.080 3.385 1.819 5.101 0.021 15 0 "[ . 1 . 2]" 1
1580 1 48 ILE HB 1 82 LEU QD 3.840 . 4.420 2.302 1.826 2.898 . 0 0 "[ . 1 . 2]" 1
1581 1 48 ILE MG 1 82 LEU QD 3.450 . 3.970 2.110 1.724 2.656 0.076 15 0 "[ . 1 . 2]" 1
1582 1 49 LYS H 1 49 LYS QD 4.730 . 5.440 4.686 4.424 4.772 . 0 0 "[ . 1 . 2]" 1
1583 1 49 LYS H 1 82 LEU QD 3.610 . 4.150 2.883 2.596 3.416 . 0 0 "[ . 1 . 2]" 1
1584 1 49 LYS HA 1 49 LYS QE 4.860 . 5.590 4.410 3.847 4.726 . 0 0 "[ . 1 . 2]" 1
1585 1 49 LYS HA 1 82 LEU QD 3.690 . 4.240 2.756 2.141 3.152 . 0 0 "[ . 1 . 2]" 1
1586 1 49 LYS HB2 1 49 LYS QD 3.200 . 3.680 2.648 2.400 3.043 . 0 0 "[ . 1 . 2]" 1
1587 1 49 LYS HB2 1 49 LYS QE 4.640 . 5.340 2.826 2.052 4.011 . 0 0 "[ . 1 . 2]" 1
1588 1 49 LYS HB2 1 82 LEU QD 2.880 . 3.310 2.022 1.731 2.192 0.069 6 0 "[ . 1 . 2]" 1
1589 1 49 LYS HB3 1 49 LYS QD 3.080 . 3.540 2.788 2.461 3.073 . 0 0 "[ . 1 . 2]" 1
1590 1 49 LYS HB3 1 49 LYS QE 4.030 . 4.630 2.428 1.883 4.068 . 0 0 "[ . 1 . 2]" 1
1591 1 49 LYS QE 1 49 LYS HG2 3.130 . 3.600 2.782 2.443 3.377 . 0 0 "[ . 1 . 2]" 1
1592 1 49 LYS HG3 1 82 LEU QD 3.300 . 3.800 3.000 2.477 3.347 . 0 0 "[ . 1 . 2]" 1
1593 1 49 LYS QD 1 50 LYS H 5.810 . 6.680 5.053 4.508 5.665 . 0 0 "[ . 1 . 2]" 1
1594 1 49 LYS QD 1 82 LEU QD 3.300 . 3.800 3.079 2.153 3.904 0.104 8 0 "[ . 1 . 2]" 1
1595 1 49 LYS QE 1 82 LEU QD 3.450 . 3.970 3.443 2.085 4.139 0.169 11 0 "[ . 1 . 2]" 1
1596 1 50 LYS H 1 50 LYS QB 2.770 . 3.190 2.238 2.125 2.300 . 0 0 "[ . 1 . 2]" 1
1597 1 50 LYS H 1 50 LYS QD 5.810 . 6.680 4.733 4.337 4.893 . 0 0 "[ . 1 . 2]" 1
1598 1 50 LYS H 1 50 LYS QE 4.230 . 4.860 4.177 3.720 4.500 . 0 0 "[ . 1 . 2]" 1
1599 1 50 LYS H 1 82 LEU QD 5.920 . 6.810 4.639 4.429 5.049 . 0 0 "[ . 1 . 2]" 1
1600 1 50 LYS HA 1 50 LYS QG 3.590 . 4.130 2.526 2.334 3.128 . 0 0 "[ . 1 . 2]" 1
1601 1 50 LYS HA 1 50 LYS QD 4.470 . 5.140 3.981 2.066 4.364 . 0 0 "[ . 1 . 2]" 1
1602 1 50 LYS HA 1 50 LYS QE 5.810 . 6.680 4.181 2.515 4.966 . 0 0 "[ . 1 . 2]" 1
1603 1 50 LYS QB 1 50 LYS QD 3.120 . 3.590 2.443 2.283 2.919 . 0 0 "[ . 1 . 2]" 1
1604 1 50 LYS QB 1 50 LYS QE 3.440 . 3.960 2.106 1.871 3.211 . 0 0 "[ . 1 . 2]" 1
1605 1 50 LYS QB 1 51 GLN H 3.340 . 3.840 2.686 2.394 3.352 . 0 0 "[ . 1 . 2]" 1
1606 1 50 LYS QE 1 50 LYS QG 3.120 . 3.590 2.608 2.376 2.942 . 0 0 "[ . 1 . 2]" 1
1607 1 50 LYS QG 1 51 GLN H 4.560 . 5.240 3.864 3.501 4.614 . 0 0 "[ . 1 . 2]" 1
1608 1 51 GLN H 1 51 GLN QB 3.280 . 3.770 2.675 2.250 3.442 . 0 0 "[ . 1 . 2]" 1
1609 1 51 GLN H 1 51 GLN QG 3.730 . 4.290 2.737 1.938 4.076 . 0 0 "[ . 1 . 2]" 1
1610 1 51 GLN H 1 51 GLN QE 5.250 . 6.040 4.067 2.525 5.263 . 0 0 "[ . 1 . 2]" 1
1611 1 51 GLN HA 1 51 GLN QG 3.290 . 3.780 3.001 2.384 3.533 . 0 0 "[ . 1 . 2]" 1
1612 1 56 SER H 1 99 GLU QG 4.880 . 5.610 4.098 3.065 5.337 . 0 0 "[ . 1 . 2]" 1
1613 1 57 ARG H 1 57 ARG QG 4.760 . 5.470 3.820 2.191 4.286 . 0 0 "[ . 1 . 2]" 1
1614 1 57 ARG HA 1 57 ARG QD 4.720 . 5.430 4.183 3.521 4.629 . 0 0 "[ . 1 . 2]" 1
1615 1 57 ARG HA 1 99 GLU QB 5.190 . 5.970 2.844 2.204 3.654 . 0 0 "[ . 1 . 2]" 1
1616 1 57 ARG QB 1 57 ARG QD 3.150 . 3.620 2.356 2.138 2.734 . 0 0 "[ . 1 . 2]" 1
1617 1 57 ARG QB 1 58 THR H 4.100 . 4.720 3.818 3.018 4.024 . 0 0 "[ . 1 . 2]" 1
1618 1 57 ARG QB 1 97 THR MG 4.270 . 4.910 3.587 1.984 4.394 . 0 0 "[ . 1 . 2]" 1
1619 1 57 ARG QB 1 99 GLU HA 4.890 . 5.620 4.435 3.633 5.534 . 0 0 "[ . 1 . 2]" 1
1620 1 57 ARG QB 1 99 GLU QB 3.880 . 4.460 2.990 1.853 4.423 . 0 0 "[ . 1 . 2]" 1
1621 1 57 ARG QB 1 99 GLU QG 3.970 . 4.570 2.863 1.954 4.246 . 0 0 "[ . 1 . 2]" 1
1622 1 57 ARG QG 1 58 THR H 4.420 . 5.080 3.450 2.445 4.494 . 0 0 "[ . 1 . 2]" 1
1623 1 57 ARG QG 1 97 THR MG 3.160 . 3.630 2.383 1.902 3.627 . 0 0 "[ . 1 . 2]" 1
1624 1 57 ARG QG 1 99 GLU QB 4.040 . 4.650 2.464 1.836 4.180 . 0 0 "[ . 1 . 2]" 1
1625 1 57 ARG QG 1 99 GLU QG 4.070 . 4.680 3.336 1.875 4.325 . 0 0 "[ . 1 . 2]" 1
1626 1 57 ARG QD 1 58 THR H 5.280 . 6.070 5.086 3.627 5.757 . 0 0 "[ . 1 . 2]" 1
1627 1 57 ARG QD 1 97 THR MG 3.860 . 4.440 2.557 2.096 3.533 . 0 0 "[ . 1 . 2]" 1
1628 1 57 ARG QD 1 99 GLU QB 5.130 . 5.900 3.748 2.903 4.445 . 0 0 "[ . 1 . 2]" 1
1629 1 58 THR HA 1 75 LEU QD 5.390 . 6.200 4.049 3.865 4.440 . 0 0 "[ . 1 . 2]" 1
1630 1 58 THR MG 1 75 LEU QD 2.720 . 3.130 2.049 1.764 2.499 0.036 12 0 "[ . 1 . 2]" 1
1631 1 59 SER H 1 59 SER QB 3.300 . 3.800 2.753 2.439 3.193 . 0 0 "[ . 1 . 2]" 1
1632 1 59 SER HA 1 75 LEU QD 5.030 . 5.780 3.518 3.087 3.868 . 0 0 "[ . 1 . 2]" 1
1633 1 59 SER HA 1 96 VAL QG 4.670 . 5.370 4.044 3.587 4.617 . 0 0 "[ . 1 . 2]" 1
1634 1 59 SER HA 1 98 VAL QG 5.920 . 6.810 4.785 4.212 5.272 . 0 0 "[ . 1 . 2]" 1
1635 1 59 SER QB 1 60 ILE H 3.940 . 4.530 3.428 3.271 3.870 . 0 0 "[ . 1 . 2]" 1
1636 1 59 SER QB 1 60 ILE HA 5.810 . 6.680 4.538 4.351 4.772 . 0 0 "[ . 1 . 2]" 1
1637 1 59 SER QB 1 95 THR HB 4.000 . 4.600 3.947 2.425 4.399 . 0 0 "[ . 1 . 2]" 1
1638 1 59 SER QB 1 97 THR HA 4.520 . 5.200 3.347 2.358 4.020 . 0 0 "[ . 1 . 2]" 1
1639 1 59 SER QB 1 97 THR HB 4.880 . 5.610 4.745 4.021 5.495 . 0 0 "[ . 1 . 2]" 1
1640 1 59 SER QB 1 97 THR MG 4.260 . 4.900 3.181 1.864 4.169 . 0 0 "[ . 1 . 2]" 1
1641 1 59 SER QB 1 98 VAL H 5.810 . 6.680 4.846 3.676 5.584 . 0 0 "[ . 1 . 2]" 1
1642 1 60 ILE H 1 75 LEU QD 4.210 . 4.840 3.330 3.009 3.807 . 0 0 "[ . 1 . 2]" 1
1643 1 60 ILE H 1 96 VAL QG 3.910 . 4.500 2.959 2.448 3.972 . 0 0 "[ . 1 . 2]" 1
1644 1 60 ILE HB 1 75 LEU QD 4.070 . 4.680 3.081 2.616 3.502 . 0 0 "[ . 1 . 2]" 1
1645 1 60 ILE HB 1 96 VAL QG 3.700 . 4.260 2.586 2.092 3.925 . 0 0 "[ . 1 . 2]" 1
1646 1 60 ILE MG 1 96 VAL QG 3.950 . 4.540 3.343 2.892 4.317 . 0 0 "[ . 1 . 2]" 1
1647 1 60 ILE MD 1 96 VAL QG 4.420 . 5.080 3.529 3.007 4.397 . 0 0 "[ . 1 . 2]" 1
1648 1 61 THR MG 1 63 ARG QG 3.760 . 4.320 3.597 2.227 4.579 0.259 2 0 "[ . 1 . 2]" 1
1649 1 61 THR MG 1 63 ARG QD 3.820 . 4.390 2.942 2.088 3.928 . 0 0 "[ . 1 . 2]" 1
1650 1 62 ALA H 1 63 ARG QG 5.810 . 6.680 4.972 3.884 6.064 . 0 0 "[ . 1 . 2]" 1
1651 1 62 ALA H 1 63 ARG QD 5.100 . 5.870 4.887 3.187 6.021 0.151 4 0 "[ . 1 . 2]" 1
1652 1 62 ALA HA 1 63 ARG QD 5.030 . 5.780 4.411 2.717 5.749 . 0 0 "[ . 1 . 2]" 1
1653 1 62 ALA HA 1 67 GLU QG 4.790 . 5.510 4.019 3.020 4.808 . 0 0 "[ . 1 . 2]" 1
1654 1 62 ALA MB 1 67 GLU QG 5.140 . 5.910 4.335 3.806 5.663 . 0 0 "[ . 1 . 2]" 1
1655 1 62 ALA MB 1 96 VAL QG 3.610 . 4.150 1.944 1.729 2.429 0.071 5 0 "[ . 1 . 2]" 1
1656 1 63 ARG H 1 63 ARG QD 4.230 . 4.860 2.939 1.741 4.194 0.059 2 0 "[ . 1 . 2]" 1
1657 1 63 ARG HA 1 63 ARG QG 3.670 . 4.220 3.300 2.564 3.570 . 0 0 "[ . 1 . 2]" 1
1658 1 63 ARG HA 1 63 ARG QD 4.510 . 5.190 4.023 3.405 4.561 . 0 0 "[ . 1 . 2]" 1
1659 1 63 ARG HB2 1 63 ARG QD 3.120 . 3.590 3.178 2.605 3.571 . 0 0 "[ . 1 . 2]" 1
1660 1 63 ARG QG 1 64 THR H 3.420 . 3.930 2.627 2.035 3.795 . 0 0 "[ . 1 . 2]" 1
1661 1 63 ARG QG 1 64 THR MG 4.750 . 5.460 2.914 1.915 4.502 . 0 0 "[ . 1 . 2]" 1
1662 1 63 ARG QD 1 64 THR H 4.530 . 5.210 3.988 2.431 4.846 . 0 0 "[ . 1 . 2]" 1
1663 1 63 ARG QD 1 64 THR MG 4.530 . 5.210 4.150 2.517 4.932 . 0 0 "[ . 1 . 2]" 1
1664 1 63 ARG QD 1 94 ASP HA 5.130 . 5.900 4.657 2.858 5.936 0.036 4 0 "[ . 1 . 2]" 1
1665 1 64 THR H 1 67 GLU QG 4.440 . 5.110 3.886 3.385 4.809 . 0 0 "[ . 1 . 2]" 1
1666 1 64 THR MG 1 66 LYS QB 5.290 . 6.080 4.589 4.004 5.466 . 0 0 "[ . 1 . 2]" 1
1667 1 64 THR MG 1 67 GLU QG 5.080 . 5.840 4.081 3.603 4.852 . 0 0 "[ . 1 . 2]" 1
1668 1 65 LYS QB 1 65 LYS QD 2.410 . 2.770 2.410 2.349 2.773 0.003 14 0 "[ . 1 . 2]" 1
1669 1 65 LYS QB 1 65 LYS QE 2.780 . 3.200 2.112 1.938 3.209 0.009 7 0 "[ . 1 . 2]" 1
1670 1 65 LYS QB 1 66 LYS H 3.460 . 3.980 3.126 2.573 3.642 . 0 0 "[ . 1 . 2]" 1
1671 1 65 LYS QE 1 65 LYS QG 3.220 . 3.700 2.479 2.361 2.867 . 0 0 "[ . 1 . 2]" 1
1672 1 65 LYS QG 1 66 LYS H 4.650 . 5.350 3.165 2.006 4.569 . 0 0 "[ . 1 . 2]" 1
1673 1 65 LYS QE 1 66 LYS H 4.920 . 5.660 4.590 3.618 5.285 . 0 0 "[ . 1 . 2]" 1
1674 1 66 LYS H 1 66 LYS QB 3.510 . 4.040 2.434 2.216 2.628 . 0 0 "[ . 1 . 2]" 1
1675 1 66 LYS H 1 66 LYS QG 4.270 . 4.910 2.689 1.973 4.094 . 0 0 "[ . 1 . 2]" 1
1676 1 66 LYS HA 1 66 LYS QG 3.250 . 3.740 2.651 2.392 3.113 . 0 0 "[ . 1 . 2]" 1
1677 1 66 LYS HA 1 66 LYS QD 4.660 . 5.360 3.483 2.005 4.296 . 0 0 "[ . 1 . 2]" 1
1678 1 66 LYS HA 1 69 GLU QB 3.380 . 3.890 3.036 2.578 3.883 . 0 0 "[ . 1 . 2]" 1
1679 1 66 LYS HA 1 69 GLU QG 4.120 . 4.740 3.163 2.129 4.781 0.041 11 0 "[ . 1 . 2]" 1
1680 1 66 LYS QB 1 67 GLU H 3.140 . 3.610 2.466 2.269 2.732 . 0 0 "[ . 1 . 2]" 1
1681 1 66 LYS QB 1 67 GLU HA 4.840 . 5.570 4.028 3.810 4.421 . 0 0 "[ . 1 . 2]" 1
1682 1 66 LYS QB 1 67 GLU QG 4.800 . 5.520 3.787 2.934 4.671 . 0 0 "[ . 1 . 2]" 1
1683 1 66 LYS QB 1 68 ALA H 5.340 . 6.140 4.592 4.417 4.790 . 0 0 "[ . 1 . 2]" 1
1684 1 66 LYS QB 1 69 GLU H 4.760 . 5.470 4.896 4.729 5.235 . 0 0 "[ . 1 . 2]" 1
1685 1 66 LYS QE 1 66 LYS QG 3.270 . 3.760 2.456 2.175 2.900 . 0 0 "[ . 1 . 2]" 1
1686 1 66 LYS QG 1 67 GLU H 4.690 . 5.390 3.963 3.480 4.509 . 0 0 "[ . 1 . 2]" 1
1687 1 67 GLU HA 1 67 GLU QG 3.290 . 3.780 2.494 2.356 2.623 . 0 0 "[ . 1 . 2]" 1
1688 1 67 GLU HA 1 70 LYS QE 4.990 . 5.740 4.126 2.050 4.929 . 0 0 "[ . 1 . 2]" 1
1689 1 67 GLU HB3 1 67 GLU QG 2.630 . 3.020 2.266 2.166 2.381 . 0 0 "[ . 1 . 2]" 1
1690 1 67 GLU QG 1 68 ALA H 4.580 . 5.270 4.376 4.004 4.834 . 0 0 "[ . 1 . 2]" 1
1691 1 67 GLU QG 1 70 LYS HG2 4.310 . 4.960 4.159 3.725 4.814 . 0 0 "[ . 1 . 2]" 1
1692 1 67 GLU QG 1 71 PHE HZ 4.360 . 5.010 3.197 2.503 3.833 . 0 0 "[ . 1 . 2]" 1
1693 1 67 GLU QG 1 71 PHE HE1 5.000 . 5.750 4.595 3.535 5.541 . 0 0 "[ . 1 . 2]" 1
1694 1 67 GLU QG 1 71 PHE HD1 5.810 . 6.680 5.599 4.822 6.332 . 0 0 "[ . 1 . 2]" 1
1695 1 68 ALA H 1 69 GLU QB 4.620 . 5.310 4.676 4.308 4.939 . 0 0 "[ . 1 . 2]" 1
1696 1 68 ALA HA 1 96 VAL QG 3.770 . 4.340 2.487 1.807 3.501 . 0 0 "[ . 1 . 2]" 1
1697 1 68 ALA MB 1 96 VAL QG 4.840 . 5.570 2.940 2.308 4.048 . 0 0 "[ . 1 . 2]" 1
1698 1 69 GLU H 1 69 GLU QB 2.940 . 3.380 2.393 2.196 2.550 . 0 0 "[ . 1 . 2]" 1
1699 1 69 GLU H 1 69 GLU QG 3.340 . 3.840 2.506 2.219 3.947 0.107 11 0 "[ . 1 . 2]" 1
1700 1 69 GLU HA 1 69 GLU QG 3.310 . 3.810 2.931 2.492 3.410 . 0 0 "[ . 1 . 2]" 1
1701 1 69 GLU QB 1 70 LYS H 3.340 . 3.840 2.492 2.286 3.560 . 0 0 "[ . 1 . 2]" 1
1702 1 69 GLU QB 1 72 ALA H 5.810 . 6.680 5.284 5.022 5.798 . 0 0 "[ . 1 . 2]" 1
1703 1 69 GLU QB 1 72 ALA MB 5.230 . 6.010 4.651 4.233 4.955 . 0 0 "[ . 1 . 2]" 1
1704 1 69 GLU QG 1 70 LYS H 4.450 . 5.120 3.958 2.357 4.264 . 0 0 "[ . 1 . 2]" 1
1705 1 70 LYS HB2 1 70 LYS QE 4.580 . 5.270 2.481 1.959 4.069 . 0 0 "[ . 1 . 2]" 1
1706 1 70 LYS HB3 1 70 LYS QE 4.770 . 5.490 3.018 2.437 4.018 . 0 0 "[ . 1 . 2]" 1
1707 1 70 LYS QE 1 71 PHE H 5.280 . 6.070 4.781 4.221 5.510 . 0 0 "[ . 1 . 2]" 1
1708 1 70 LYS QE 1 71 PHE HZ 4.720 . 5.430 4.438 2.755 5.583 0.153 17 0 "[ . 1 . 2]" 1
1709 1 70 LYS QE 1 71 PHE HE1 4.590 . 5.280 3.200 1.908 5.209 . 0 0 "[ . 1 . 2]" 1
1710 1 70 LYS QE 1 74 ILE MD 4.880 . 5.610 4.297 2.813 5.503 . 0 0 "[ . 1 . 2]" 1
1711 1 71 PHE H 1 96 VAL QG 4.650 . 5.350 4.217 3.771 4.765 . 0 0 "[ . 1 . 2]" 1
1712 1 71 PHE HA 1 74 ILE QG 4.560 . 5.240 3.351 2.861 3.746 . 0 0 "[ . 1 . 2]" 1
1713 1 71 PHE HB2 1 96 VAL QG 3.920 . 4.510 2.756 1.899 3.746 . 0 0 "[ . 1 . 2]" 1
1714 1 71 PHE HB3 1 75 LEU QD 5.150 . 5.920 4.302 3.298 5.097 . 0 0 "[ . 1 . 2]" 1
1715 1 71 PHE HB3 1 96 VAL QG 3.990 . 4.590 3.307 2.491 4.608 0.018 1 0 "[ . 1 . 2]" 1
1716 1 71 PHE HD1 1 96 VAL QG 5.730 . 6.590 5.537 4.915 6.554 . 0 0 "[ . 1 . 2]" 1
1717 1 72 ALA H 1 75 LEU QD 5.660 . 6.510 5.074 4.363 5.687 . 0 0 "[ . 1 . 2]" 1
1718 1 72 ALA H 1 96 VAL QG 4.050 . 4.660 2.998 2.471 3.751 . 0 0 "[ . 1 . 2]" 1
1719 1 72 ALA HA 1 75 LEU QD 4.090 . 4.700 3.263 2.655 3.739 . 0 0 "[ . 1 . 2]" 1
1720 1 72 ALA HA 1 96 VAL QG 3.840 . 4.420 2.719 2.364 3.331 . 0 0 "[ . 1 . 2]" 1
1721 1 72 ALA HA 1 98 VAL QG 3.440 . 3.960 3.144 2.429 3.858 . 0 0 "[ . 1 . 2]" 1
1722 1 72 ALA MB 1 76 ILE QG 5.810 . 6.680 4.264 3.891 4.571 . 0 0 "[ . 1 . 2]" 1
1723 1 72 ALA MB 1 89 VAL QG 2.970 . 3.420 2.124 1.788 2.537 0.012 10 0 "[ . 1 . 2]" 1
1724 1 72 ALA MB 1 96 VAL QG 2.890 . 3.320 1.994 1.728 2.818 0.072 8 0 "[ . 1 . 2]" 1
1725 1 72 ALA MB 1 98 VAL QG 3.690 . 4.240 3.284 2.579 3.858 . 0 0 "[ . 1 . 2]" 1
1726 1 73 ALA MB 1 74 ILE QG 3.900 . 4.490 3.036 2.838 3.296 . 0 0 "[ . 1 . 2]" 1
1727 1 74 ILE H 1 74 ILE QG 2.910 . 3.350 2.033 1.911 2.158 . 0 0 "[ . 1 . 2]" 1
1728 1 74 ILE HA 1 77 LYS QG 4.510 . 5.190 3.579 2.766 4.689 . 0 0 "[ . 1 . 2]" 1
1729 1 74 ILE HA 1 77 LYS QD 4.840 . 5.570 3.121 2.041 4.706 . 0 0 "[ . 1 . 2]" 1
1730 1 74 ILE HB 1 75 LEU QD 5.850 . 6.730 4.543 3.563 5.255 . 0 0 "[ . 1 . 2]" 1
1731 1 74 ILE QG 1 74 ILE MG 2.910 . 3.350 2.366 2.325 2.395 . 0 0 "[ . 1 . 2]" 1
1732 1 74 ILE MG 1 77 LYS QG 5.490 . 6.310 4.734 3.960 5.459 . 0 0 "[ . 1 . 2]" 1
1733 1 74 ILE MG 1 78 VAL QG 3.400 . 3.910 2.601 2.302 2.998 . 0 0 "[ . 1 . 2]" 1
1734 1 74 ILE QG 1 75 LEU H 4.700 . 5.400 4.007 3.895 4.173 . 0 0 "[ . 1 . 2]" 1
1735 1 75 LEU HA 1 78 VAL QG 3.260 . 3.750 2.502 2.238 2.863 . 0 0 "[ . 1 . 2]" 1
1736 1 75 LEU HB2 1 98 VAL QG 3.930 . 4.520 3.228 1.858 4.207 . 0 0 "[ . 1 . 2]" 1
1737 1 75 LEU HB3 1 98 VAL QG 4.100 . 4.720 2.431 1.785 3.075 0.015 14 0 "[ . 1 . 2]" 1
1738 1 75 LEU HG 1 98 VAL QG 5.090 . 5.850 3.276 2.322 4.181 . 0 0 "[ . 1 . 2]" 1
1739 1 75 LEU QD 1 76 ILE H 4.930 . 5.670 4.141 3.603 4.326 . 0 0 "[ . 1 . 2]" 1
1740 1 75 LEU QD 1 78 VAL H 4.790 . 5.510 4.212 3.984 4.540 . 0 0 "[ . 1 . 2]" 1
1741 1 75 LEU QD 1 78 VAL HB 4.030 . 4.630 2.647 2.160 3.313 . 0 0 "[ . 1 . 2]" 1
1742 1 75 LEU QD 1 78 VAL QG 4.380 . 5.040 2.565 2.206 3.341 . 0 0 "[ . 1 . 2]" 1
1743 1 75 LEU QD 1 79 TYR H 4.920 . 5.660 4.084 3.549 4.891 . 0 0 "[ . 1 . 2]" 1
1744 1 75 LEU QD 1 79 TYR QD 4.390 . 5.050 3.006 2.392 4.045 . 0 0 "[ . 1 . 2]" 1
1745 1 75 LEU QD 1 96 VAL QG 3.040 . 3.500 2.731 2.168 3.140 . 0 0 "[ . 1 . 2]" 1
1746 1 75 LEU QD 1 97 THR H 4.530 . 5.210 5.048 4.515 5.380 0.170 5 0 "[ . 1 . 2]" 1
1747 1 75 LEU QD 1 97 THR MG 4.130 . 4.750 4.659 4.132 4.944 0.194 15 0 "[ . 1 . 2]" 1
1748 1 75 LEU QD 1 98 VAL H 3.700 . 4.260 2.921 2.525 3.452 . 0 0 "[ . 1 . 2]" 1
1749 1 75 LEU QD 1 98 VAL QG 2.810 . 3.230 2.085 1.823 2.269 . 0 0 "[ . 1 . 2]" 1
1750 1 76 ILE H 1 76 ILE QG 3.770 . 4.340 3.660 3.579 3.762 . 0 0 "[ . 1 . 2]" 1
1751 1 76 ILE H 1 98 VAL QG 4.280 . 4.920 3.600 3.124 4.237 . 0 0 "[ . 1 . 2]" 1
1752 1 76 ILE HA 1 76 ILE QG 3.350 . 3.850 2.478 2.385 2.560 . 0 0 "[ . 1 . 2]" 1
1753 1 76 ILE HA 1 79 TYR QB 4.080 . 4.690 2.810 2.382 3.186 . 0 0 "[ . 1 . 2]" 1
1754 1 76 ILE HA 1 98 VAL QG 3.920 . 4.510 2.979 2.554 3.507 . 0 0 "[ . 1 . 2]" 1
1755 1 76 ILE QG 1 76 ILE MG 3.100 . 3.570 2.133 2.115 2.146 . 0 0 "[ . 1 . 2]" 1
1756 1 76 ILE MG 1 77 LYS QG 4.330 . 4.980 3.637 3.015 5.185 0.205 9 0 "[ . 1 . 2]" 1
1757 1 76 ILE MG 1 98 VAL QG 4.410 . 5.070 4.387 4.054 4.806 . 0 0 "[ . 1 . 2]" 1
1758 1 76 ILE QG 1 77 LYS H 5.810 . 6.680 4.691 4.601 4.804 . 0 0 "[ . 1 . 2]" 1
1759 1 76 ILE QG 1 87 ILE MG 2.760 . 3.170 2.340 1.775 3.006 0.025 5 0 "[ . 1 . 2]" 1
1760 1 76 ILE QG 1 98 VAL QG 4.030 . 4.630 3.215 2.693 3.807 . 0 0 "[ . 1 . 2]" 1
1761 1 76 ILE MD 1 89 VAL QG 2.760 . 3.170 2.233 1.720 2.800 0.080 11 0 "[ . 1 . 2]" 1
1762 1 76 ILE MD 1 98 VAL QG 2.970 . 3.420 1.962 1.777 2.301 0.023 18 0 "[ . 1 . 2]" 1
1763 1 77 LYS H 1 77 LYS QG 3.590 . 4.130 2.919 2.092 4.083 . 0 0 "[ . 1 . 2]" 1
1764 1 77 LYS H 1 77 LYS QD 4.820 . 5.540 3.332 2.302 4.651 . 0 0 "[ . 1 . 2]" 1
1765 1 77 LYS H 1 78 VAL QG 4.630 . 5.320 4.143 4.040 4.269 . 0 0 "[ . 1 . 2]" 1
1766 1 77 LYS HA 1 77 LYS QG 3.080 . 3.540 2.523 2.330 3.061 . 0 0 "[ . 1 . 2]" 1
1767 1 77 LYS HA 1 77 LYS QD 4.500 . 5.180 3.564 2.122 4.316 . 0 0 "[ . 1 . 2]" 1
1768 1 77 LYS HA 1 77 LYS QE 4.610 . 5.300 3.457 1.916 4.150 . 0 0 "[ . 1 . 2]" 1
1769 1 77 LYS HB2 1 77 LYS QD 2.910 . 3.350 2.596 2.348 3.535 0.185 20 0 "[ . 1 . 2]" 1
1770 1 77 LYS HB2 1 77 LYS QE 4.490 . 5.160 3.231 2.239 4.318 . 0 0 "[ . 1 . 2]" 1
1771 1 77 LYS HB2 1 78 VAL QG 4.400 . 5.060 3.612 3.287 4.629 . 0 0 "[ . 1 . 2]" 1
1772 1 77 LYS HB3 1 77 LYS QD 3.490 . 4.010 3.184 2.879 3.539 . 0 0 "[ . 1 . 2]" 1
1773 1 77 LYS HB3 1 77 LYS QE 4.780 . 5.500 3.017 1.957 4.601 . 0 0 "[ . 1 . 2]" 1
1774 1 77 LYS HB3 1 78 VAL QG 4.180 . 4.810 4.169 3.181 4.462 . 0 0 "[ . 1 . 2]" 1
1775 1 77 LYS QD 1 77 LYS QG 2.350 . 2.700 2.041 2.002 2.114 . 0 0 "[ . 1 . 2]" 1
1776 1 77 LYS QE 1 77 LYS QG 3.180 . 3.660 2.534 2.357 2.913 . 0 0 "[ . 1 . 2]" 1
1777 1 77 LYS QE 1 80 ALA MB 5.040 . 5.800 4.396 2.743 5.456 . 0 0 "[ . 1 . 2]" 1
1778 1 78 VAL HA 1 81 GLU QG 4.420 . 5.080 3.576 2.435 4.209 . 0 0 "[ . 1 . 2]" 1
1779 1 78 VAL HA 1 82 LEU QD 4.230 . 4.860 4.305 4.078 4.556 . 0 0 "[ . 1 . 2]" 1
1780 1 78 VAL HB 1 82 LEU QD 4.520 . 5.200 4.441 3.927 5.192 . 0 0 "[ . 1 . 2]" 1
1781 1 78 VAL QG 1 79 TYR QB 5.060 . 5.820 4.154 3.953 4.326 . 0 0 "[ . 1 . 2]" 1
1782 1 78 VAL QG 1 82 LEU HG 4.610 . 5.300 3.253 2.646 3.939 . 0 0 "[ . 1 . 2]" 1
1783 1 78 VAL QG 1 82 LEU QD 2.900 . 3.340 2.421 1.979 2.980 . 0 0 "[ . 1 . 2]" 1
1784 1 79 TYR H 1 79 TYR QB 3.140 . 3.610 2.237 2.176 2.350 . 0 0 "[ . 1 . 2]" 1
1785 1 79 TYR H 1 82 LEU QD 5.510 . 6.340 4.253 3.772 5.055 . 0 0 "[ . 1 . 2]" 1
1786 1 79 TYR HA 1 82 LEU QD 3.780 . 4.350 2.502 1.920 3.419 . 0 0 "[ . 1 . 2]" 1
1787 1 79 TYR QB 1 82 LEU QD 5.730 . 6.590 4.139 3.598 5.007 . 0 0 "[ . 1 . 2]" 1
1788 1 79 TYR QB 1 98 VAL QG 4.040 . 4.650 2.999 2.397 3.364 . 0 0 "[ . 1 . 2]" 1
1789 1 79 TYR QE 1 98 VAL QG 4.730 . 5.440 3.186 2.761 3.750 . 0 0 "[ . 1 . 2]" 1
1790 1 79 TYR QD 1 82 LEU QD 4.100 . 4.720 3.459 2.634 4.499 . 0 0 "[ . 1 . 2]" 1
1791 1 79 TYR QD 1 98 VAL QG 4.300 . 4.950 2.958 2.365 3.398 . 0 0 "[ . 1 . 2]" 1
1792 1 80 ALA MB 1 81 GLU QG 3.900 . 4.490 3.264 3.045 3.592 . 0 0 "[ . 1 . 2]" 1
1793 1 81 GLU H 1 81 GLU QG 3.220 . 3.700 2.302 2.089 2.487 . 0 0 "[ . 1 . 2]" 1
1794 1 81 GLU H 1 82 LEU QD 5.550 . 6.380 4.581 4.440 4.733 . 0 0 "[ . 1 . 2]" 1
1795 1 81 GLU HA 1 81 GLU QG 3.250 . 3.740 2.609 2.425 3.195 . 0 0 "[ . 1 . 2]" 1
1796 1 81 GLU HB2 1 81 GLU QG 2.630 . 3.020 2.327 2.161 2.425 . 0 0 "[ . 1 . 2]" 1
1797 1 81 GLU HB2 1 82 LEU QD 3.900 . 4.490 3.673 3.082 4.026 . 0 0 "[ . 1 . 2]" 1
1798 1 81 GLU HB3 1 81 GLU QG 2.520 . 2.900 2.365 2.305 2.455 . 0 0 "[ . 1 . 2]" 1
1799 1 81 GLU QG 1 82 LEU H 4.740 . 5.450 4.154 4.048 4.285 . 0 0 "[ . 1 . 2]" 1
1800 1 81 GLU QG 1 82 LEU QD 5.650 . 6.500 4.922 4.089 5.283 . 0 0 "[ . 1 . 2]" 1
1801 1 82 LEU HA 1 82 LEU QD 3.010 . 3.460 2.072 2.024 2.140 . 0 0 "[ . 1 . 2]" 1
1802 1 82 LEU QD 1 83 GLY H 5.830 . 6.700 4.285 4.189 4.377 . 0 0 "[ . 1 . 2]" 1
1803 1 84 TYR QB 1 84 TYR HE2 4.610 . 5.300 4.427 4.379 4.471 . 0 0 "[ . 1 . 2]" 1
1804 1 86 ASP QB 1 87 ILE H 4.070 . 4.680 3.491 2.608 3.942 . 0 0 "[ . 1 . 2]" 1
1805 1 86 ASP QB 1 101 GLN QB 4.440 . 5.110 3.938 1.706 5.105 0.094 11 0 "[ . 1 . 2]" 1
1806 1 86 ASP QB 1 101 GLN QG 4.470 . 5.140 3.633 1.901 5.174 0.034 9 0 "[ . 1 . 2]" 1
1807 1 86 ASP QB 1 101 GLN QE 4.180 . 4.810 3.072 2.096 4.681 . 0 0 "[ . 1 . 2]" 1
1808 1 87 ILE H 1 87 ILE QG 4.140 . 4.760 2.682 2.140 3.065 . 0 0 "[ . 1 . 2]" 1
1809 1 87 ILE HA 1 88 ASN QB 4.590 . 5.280 4.197 3.978 4.546 . 0 0 "[ . 1 . 2]" 1
1810 1 87 ILE MG 1 88 ASN QB 4.930 . 5.670 4.103 3.612 4.979 . 0 0 "[ . 1 . 2]" 1
1811 1 87 ILE MG 1 98 VAL QG 2.840 . 3.270 2.020 1.763 2.445 0.037 13 0 "[ . 1 . 2]" 1
1812 1 87 ILE QG 1 88 ASN H 5.080 . 5.840 4.712 4.543 4.968 . 0 0 "[ . 1 . 2]" 1
1813 1 87 ILE QG 1 98 VAL QG 5.460 . 6.280 4.134 3.340 4.776 . 0 0 "[ . 1 . 2]" 1
1814 1 88 ASN H 1 88 ASN QB 3.130 . 3.600 2.459 2.263 2.953 . 0 0 "[ . 1 . 2]" 1
1815 1 88 ASN H 1 98 VAL QG 4.180 . 4.810 3.660 2.468 4.245 . 0 0 "[ . 1 . 2]" 1
1816 1 88 ASN HA 1 89 VAL QG 4.570 . 5.260 3.541 3.329 3.809 . 0 0 "[ . 1 . 2]" 1
1817 1 88 ASN QB 1 89 VAL H 3.700 . 4.260 3.505 2.656 3.960 . 0 0 "[ . 1 . 2]" 1
1818 1 89 VAL H 1 89 VAL QG 3.300 . 3.800 2.204 1.952 2.482 . 0 0 "[ . 1 . 2]" 1
1819 1 89 VAL HA 1 98 VAL QG 3.860 . 4.440 2.402 1.870 2.843 . 0 0 "[ . 1 . 2]" 1
1820 1 89 VAL HB 1 98 VAL QG 5.670 . 6.520 3.410 1.797 5.079 0.003 15 0 "[ . 1 . 2]" 1
1821 1 89 VAL QG 1 90 THR H 3.130 . 3.600 2.750 2.243 3.170 . 0 0 "[ . 1 . 2]" 1
1822 1 89 VAL QG 1 90 THR HA 4.530 . 5.210 3.579 3.210 4.065 . 0 0 "[ . 1 . 2]" 1
1823 1 89 VAL QG 1 98 VAL HA 4.850 . 5.580 3.853 3.103 4.814 . 0 0 "[ . 1 . 2]" 1
1824 1 89 VAL QG 1 98 VAL QG 3.250 . 3.740 2.287 1.823 3.063 . 0 0 "[ . 1 . 2]" 1
1825 1 91 TRP HA 1 96 VAL QG 5.040 . 5.800 2.983 2.303 3.568 . 0 0 "[ . 1 . 2]" 1
1826 1 91 TRP HB3 1 96 VAL QG 5.050 . 5.810 4.139 3.498 5.219 . 0 0 "[ . 1 . 2]" 1
1827 1 91 TRP HD1 1 96 VAL QG 4.590 . 5.280 2.666 1.908 3.680 . 0 0 "[ . 1 . 2]" 1
1828 1 91 TRP HE1 1 96 VAL QG 4.560 . 5.240 3.861 3.041 4.923 . 0 0 "[ . 1 . 2]" 1
1829 1 93 GLY QA 1 94 ASP QB 4.730 . 5.440 4.155 3.735 4.562 . 0 0 "[ . 1 . 2]" 1
1830 1 93 GLY QA 1 95 THR H 5.230 . 6.010 3.764 3.301 4.271 . 0 0 "[ . 1 . 2]" 1
1831 1 94 ASP H 1 94 ASP QB 3.610 . 4.150 2.677 2.334 3.431 . 0 0 "[ . 1 . 2]" 1
1832 1 94 ASP QB 1 95 THR H 4.200 . 4.830 3.435 2.747 3.877 . 0 0 "[ . 1 . 2]" 1
1833 1 94 ASP QB 1 95 THR HB 5.810 . 6.680 4.704 3.298 6.015 . 0 0 "[ . 1 . 2]" 1
1834 1 96 VAL H 1 96 VAL QG 3.600 . 4.140 2.112 1.946 2.560 . 0 0 "[ . 1 . 2]" 1
1835 1 96 VAL QG 1 97 THR HA 4.160 . 4.780 3.934 3.618 4.379 . 0 0 "[ . 1 . 2]" 1
1836 1 97 THR H 1 98 VAL QG 4.760 . 5.470 4.212 3.805 4.516 . 0 0 "[ . 1 . 2]" 1
1837 1 97 THR HA 1 98 VAL QG 5.690 . 6.540 3.812 3.545 4.015 . 0 0 "[ . 1 . 2]" 1
1838 1 97 THR MG 1 98 VAL QG 4.940 . 5.680 4.261 4.042 4.541 . 0 0 "[ . 1 . 2]" 1
1839 1 97 THR MG 1 99 GLU QB 3.710 . 4.270 3.069 2.429 3.915 . 0 0 "[ . 1 . 2]" 1
1840 1 97 THR MG 1 99 GLU QG 5.010 . 5.760 4.618 3.590 5.722 . 0 0 "[ . 1 . 2]" 1
1841 1 98 VAL H 1 98 VAL QG 3.100 . 3.570 2.723 2.435 2.962 . 0 0 "[ . 1 . 2]" 1
1842 1 99 GLU QG 1 100 GLY H 4.130 . 4.750 2.855 1.902 3.736 . 0 0 "[ . 1 . 2]" 1
1843 1 101 GLN QB 1 101 GLN QE 3.730 . 4.290 2.791 1.776 3.764 0.024 5 0 "[ . 1 . 2]" 1
1844 1 103 GLU QB 1 104 GLY H 4.130 . 4.750 3.348 2.245 4.076 . 0 0 "[ . 1 . 2]" 1
1845 1 103 GLU QG 1 104 GLY QA 4.560 . 5.240 3.727 3.098 4.408 . 0 0 "[ . 1 . 2]" 1
1846 1 104 GLY QA 1 106 ASP H 5.810 . 6.680 5.138 3.746 5.898 . 0 0 "[ . 1 . 2]" 1
1847 1 105 VAL H 1 105 VAL QG 3.490 . 4.010 2.205 1.922 2.698 . 0 0 "[ . 1 . 2]" 1
1848 1 105 VAL HA 1 105 VAL QG 3.030 . 3.480 2.282 2.183 2.365 . 0 0 "[ . 1 . 2]" 1
1849 1 105 VAL QG 1 106 ASP H 3.640 . 4.190 3.242 2.100 3.796 . 0 0 "[ . 1 . 2]" 1
1850 1 106 ASP H 1 106 ASP QB 2.980 . 3.430 2.486 2.234 3.025 . 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 48
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 61.597
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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 ILE 0.010 0.010 10 0 "[ . 1 . 2]"
1 14 VAL 0.029 0.018 3 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.147 0.049 5 0 "[ . 1 . 2]"
1 29 TYR 0.029 0.018 3 0 "[ . 1 . 2]"
1 31 VAL 0.010 0.010 10 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.092 0.030 9 0 "[ . 1 . 2]"
1 44 LEU 0.128 0.048 19 0 "[ . 1 . 2]"
1 45 LYS 0.316 0.067 18 0 "[ . 1 . 2]"
1 48 ILE 0.128 0.048 19 0 "[ . 1 . 2]"
1 49 LYS 0.223 0.067 18 0 "[ . 1 . 2]"
1 57 ARG 0.147 0.049 5 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 0.011 0.008 9 0 "[ . 1 . 2]"
1 62 ALA 0.053 0.024 12 0 "[ . 1 . 2]"
1 64 THR 0.103 0.047 10 0 "[ . 1 . 2]"
1 66 LYS 0.282 0.068 13 0 "[ . 1 . 2]"
1 67 GLU 0.133 0.101 5 0 "[ . 1 . 2]"
1 68 ALA 0.103 0.047 10 0 "[ . 1 . 2]"
1 70 LYS 0.282 0.068 13 0 "[ . 1 . 2]"
1 71 PHE 0.133 0.101 5 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.974 0.106 11 0 "[ . 1 . 2]"
1 75 LEU 0.242 0.071 16 0 "[ . 1 . 2]"
1 76 ILE 0.017 0.009 20 0 "[ . 1 . 2]"
1 77 LYS 1.355 0.106 11 0 "[ . 1 . 2]"
1 79 TYR 0.449 0.071 16 0 "[ . 1 . 2]"
1 80 ALA 0.017 0.009 20 0 "[ . 1 . 2]"
1 81 GLU 0.381 0.097 19 0 "[ . 1 . 2]"
1 83 GLY 0.207 0.046 5 0 "[ . 1 . 2]"
1 90 THR 0.047 0.047 18 0 "[ . 1 . 2]"
1 94 ASP 0.053 0.024 12 0 "[ . 1 . 2]"
1 96 VAL 0.011 0.008 9 0 "[ . 1 . 2]"
1 97 THR 0.047 0.047 18 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 14 VAL H 1 29 TYR O 1.900 . 2.180 1.994 1.887 2.052 . 0 0 "[ . 1 . 2]" 2
2 1 14 VAL N 1 29 TYR O 2.850 2.700 3.280 2.868 2.800 2.944 . 0 0 "[ . 1 . 2]" 2
3 1 15 GLN H 1 59 SER O 1.900 . 2.180 2.002 1.888 2.129 . 0 0 "[ . 1 . 2]" 2
4 1 15 GLN N 1 59 SER O 2.850 2.700 3.280 2.937 2.835 3.098 . 0 0 "[ . 1 . 2]" 2
5 1 17 ASN H 1 57 ARG O 1.900 . 2.180 2.008 1.910 2.199 0.019 13 0 "[ . 1 . 2]" 2
6 1 17 ASN N 1 57 ARG O 2.850 2.700 3.280 2.904 2.741 2.998 . 0 0 "[ . 1 . 2]" 2
7 1 14 VAL O 1 29 TYR H 1.900 . 2.180 2.022 1.918 2.198 0.018 3 0 "[ . 1 . 2]" 2
8 1 14 VAL O 1 29 TYR N 2.850 2.700 3.280 2.944 2.841 3.110 . 0 0 "[ . 1 . 2]" 2
9 1 12 ILE O 1 31 VAL H 1.900 . 2.180 2.034 1.943 2.190 0.010 10 0 "[ . 1 . 2]" 2
10 1 12 ILE O 1 31 VAL N 2.850 2.700 3.280 2.956 2.897 3.063 . 0 0 "[ . 1 . 2]" 2
11 1 40 VAL O 1 44 LEU H 1.900 . 2.180 1.970 1.894 2.104 . 0 0 "[ . 1 . 2]" 2
12 1 40 VAL O 1 44 LEU N 2.850 2.700 3.280 2.864 2.769 3.025 . 0 0 "[ . 1 . 2]" 2
13 1 41 LEU O 1 45 LYS H 1.900 . 2.180 2.136 2.014 2.210 0.030 9 0 "[ . 1 . 2]" 2
14 1 41 LEU O 1 45 LYS N 2.850 2.700 3.280 2.991 2.877 3.100 . 0 0 "[ . 1 . 2]" 2
15 1 44 LEU O 1 48 ILE H 1.900 . 2.180 2.112 1.960 2.228 0.048 19 0 "[ . 1 . 2]" 2
16 1 44 LEU O 1 48 ILE N 2.850 2.700 3.280 3.035 2.777 3.177 . 0 0 "[ . 1 . 2]" 2
17 1 45 LYS O 1 49 LYS H 1.900 . 2.180 2.148 1.952 2.247 0.067 18 0 "[ . 1 . 2]" 2
18 1 45 LYS O 1 49 LYS N 2.850 2.700 3.280 3.046 2.819 3.213 . 0 0 "[ . 1 . 2]" 2
19 1 17 ASN O 1 57 ARG H 1.900 . 2.180 2.069 1.928 2.229 0.049 5 0 "[ . 1 . 2]" 2
20 1 17 ASN O 1 57 ARG N 2.850 2.700 3.280 2.945 2.777 3.201 . 0 0 "[ . 1 . 2]" 2
21 1 15 GLN O 1 59 SER H 1.900 . 2.180 2.009 1.928 2.099 . 0 0 "[ . 1 . 2]" 2
22 1 15 GLN O 1 59 SER N 2.850 2.700 3.280 2.902 2.825 2.986 . 0 0 "[ . 1 . 2]" 2
23 1 60 ILE H 1 96 VAL O 1.900 . 2.180 2.084 1.961 2.188 0.008 9 0 "[ . 1 . 2]" 2
24 1 60 ILE N 1 96 VAL O 2.850 2.700 3.280 3.027 2.919 3.131 . 0 0 "[ . 1 . 2]" 2
25 1 62 ALA H 1 94 ASP O 1.900 . 2.180 2.106 1.992 2.204 0.024 12 0 "[ . 1 . 2]" 2
26 1 62 ALA N 1 94 ASP O 2.850 2.700 3.280 2.928 2.781 3.050 . 0 0 "[ . 1 . 2]" 2
27 1 64 THR O 1 68 ALA H 1.900 . 2.180 2.101 1.947 2.227 0.047 10 0 "[ . 1 . 2]" 2
28 1 64 THR O 1 68 ALA N 2.850 2.700 3.280 2.976 2.846 3.142 . 0 0 "[ . 1 . 2]" 2
29 1 66 LYS O 1 70 LYS H 1.900 . 2.180 2.158 2.054 2.248 0.068 13 0 "[ . 1 . 2]" 2
30 1 66 LYS O 1 70 LYS N 2.850 2.700 3.280 3.103 2.975 3.217 . 0 0 "[ . 1 . 2]" 2
31 1 67 GLU O 1 71 PHE H 1.900 . 2.180 2.099 1.996 2.281 0.101 5 0 "[ . 1 . 2]" 2
32 1 67 GLU O 1 71 PHE N 2.850 2.700 3.280 3.030 2.933 3.210 . 0 0 "[ . 1 . 2]" 2
33 1 72 ALA O 1 76 ILE H 1.900 . 2.180 1.998 1.936 2.115 . 0 0 "[ . 1 . 2]" 2
34 1 72 ALA O 1 76 ILE N 2.850 2.700 3.280 2.873 2.739 2.975 . 0 0 "[ . 1 . 2]" 2
35 1 73 ALA O 1 77 LYS H 1.900 . 2.180 2.225 2.120 2.286 0.106 11 0 "[ . 1 . 2]" 2
36 1 73 ALA O 1 77 LYS N 2.850 2.700 3.280 3.144 3.021 3.226 . 0 0 "[ . 1 . 2]" 2
37 1 75 LEU O 1 79 TYR H 1.900 . 2.180 2.147 1.999 2.251 0.071 16 0 "[ . 1 . 2]" 2
38 1 75 LEU O 1 79 TYR N 2.850 2.700 3.280 3.094 2.911 3.202 . 0 0 "[ . 1 . 2]" 2
39 1 76 ILE O 1 80 ALA H 1.900 . 2.180 2.109 1.985 2.189 0.009 20 0 "[ . 1 . 2]" 2
40 1 76 ILE O 1 80 ALA N 2.850 2.700 3.280 2.847 2.740 3.014 . 0 0 "[ . 1 . 2]" 2
41 1 77 LYS O 1 81 GLU H 1.900 . 2.180 2.164 2.000 2.277 0.097 19 0 "[ . 1 . 2]" 2
42 1 77 LYS O 1 81 GLU N 2.850 2.700 3.280 3.036 2.856 3.200 . 0 0 "[ . 1 . 2]" 2
43 1 79 TYR O 1 83 GLY H 1.900 . 2.180 2.174 2.097 2.226 0.046 5 0 "[ . 1 . 2]" 2
44 1 79 TYR O 1 83 GLY N 2.850 2.700 3.280 2.840 2.698 3.010 0.002 19 0 "[ . 1 . 2]" 2
45 1 60 ILE O 1 96 VAL H 1.900 . 2.180 1.992 1.912 2.108 . 0 0 "[ . 1 . 2]" 2
46 1 60 ILE O 1 96 VAL N 2.850 2.700 3.280 2.893 2.788 2.997 . 0 0 "[ . 1 . 2]" 2
47 1 90 THR O 1 97 THR H 1.900 . 2.180 2.051 1.926 2.227 0.047 18 0 "[ . 1 . 2]" 2
48 1 90 THR O 1 97 THR N 2.850 2.700 3.280 2.890 2.750 3.017 . 0 0 "[ . 1 . 2]" 2
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