NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399937 |
1ugo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ugo
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 1337
_Distance_constraint_stats_list.Viol_count 1686
_Distance_constraint_stats_list.Viol_total 3321.326
_Distance_constraint_stats_list.Viol_max 0.960
_Distance_constraint_stats_list.Viol_rms 0.0459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0985
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 MET 5.269 0.183 18 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLN 1.142 0.748 3 1 "[ + . 1 . 2]"
1 14 HIS 2.079 0.093 18 0 "[ . 1 . 2]"
1 15 PRO 1.875 0.093 18 0 "[ . 1 . 2]"
1 16 SER 0.862 0.195 7 0 "[ . 1 . 2]"
1 17 ILE 2.090 0.786 14 1 "[ . 1 +. 2]"
1 18 SER 1.107 0.748 3 1 "[ + . 1 . 2]"
1 19 ARG 8.165 0.936 13 4 "[ . *1 +*. -]"
1 20 LEU 3.325 0.851 17 2 "[ . 1 -. + 2]"
1 21 GLN 0.421 0.044 15 0 "[ . 1 . 2]"
1 22 GLU 10.316 0.936 13 3 "[ . *1 + . -]"
1 23 ILE 3.816 0.806 9 3 "[ . +1 * . -]"
1 24 GLN 0.362 0.224 2 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.631 0.175 19 0 "[ . 1 . 2]"
1 27 VAL 12.329 0.255 4 0 "[ . 1 . 2]"
1 28 LYS 21.188 0.948 6 7 "[* *+ ** .-* 2]"
1 29 ALA 0.523 0.105 15 0 "[ . 1 . 2]"
1 30 ILE 15.292 0.301 10 0 "[ . 1 . 2]"
1 31 GLU 5.456 0.225 20 0 "[ . 1 . 2]"
1 32 PRO 4.913 0.435 16 0 "[ . 1 . 2]"
1 33 GLN 4.805 0.435 16 0 "[ . 1 . 2]"
1 34 VAL 0.809 0.112 9 0 "[ . 1 . 2]"
1 35 VAL 1.871 0.091 17 0 "[ . 1 . 2]"
1 36 GLY 1.768 0.091 17 0 "[ . 1 . 2]"
1 37 PHE 4.068 0.502 16 1 "[ . 1 .+ 2]"
1 38 SER 0.023 0.015 11 0 "[ . 1 . 2]"
1 39 GLY 0.824 0.430 13 0 "[ . 1 . 2]"
1 40 LEU 1.042 0.877 1 1 "[+ . 1 . 2]"
1 41 SER 4.244 0.319 11 0 "[ . 1 . 2]"
1 42 ASP 0.479 0.141 19 0 "[ . 1 . 2]"
1 43 ASP 2.011 0.877 1 2 "[+ . - . 2]"
1 44 LYS 0.019 0.019 17 0 "[ . 1 . 2]"
1 45 ASN 0.528 0.350 3 0 "[ . 1 . 2]"
1 46 TYR 7.019 0.960 2 2 "[-+ . 1 . 2]"
1 47 LYS 7.059 0.960 2 3 "[ + . - * . 2]"
1 48 ARG 1.788 0.350 3 0 "[ . 1 . 2]"
1 49 LEU 0.852 0.144 13 0 "[ . 1 . 2]"
1 50 GLU 0.596 0.055 12 0 "[ . 1 . 2]"
1 51 ARG 15.731 0.805 20 9 "[* -. ** * * **+]"
1 52 ILE 1.851 0.228 10 0 "[ . 1 . 2]"
1 53 LEU 2.198 0.412 19 0 "[ . 1 . 2]"
1 54 THR 1.408 0.117 19 0 "[ . 1 . 2]"
1 55 LYS 0.323 0.093 18 0 "[ . 1 . 2]"
1 56 GLN 2.943 0.225 15 0 "[ . 1 . 2]"
1 57 LEU 3.998 0.396 20 0 "[ . 1 . 2]"
1 58 PHE 1.450 0.152 18 0 "[ . 1 . 2]"
1 59 GLU 4.834 0.225 15 0 "[ . 1 . 2]"
1 60 ILE 5.856 0.508 7 1 "[ . + 1 . 2]"
1 61 ASP 2.403 0.152 18 0 "[ . 1 . 2]"
1 62 SER 0.225 0.132 15 0 "[ . 1 . 2]"
1 63 VAL 7.033 0.427 12 0 "[ . 1 . 2]"
1 64 ASP 6.586 0.427 12 0 "[ . 1 . 2]"
1 65 THR 0.087 0.017 19 0 "[ . 1 . 2]"
1 66 GLU 1.682 0.946 19 1 "[ . 1 . +2]"
1 67 GLY 0.008 0.008 13 0 "[ . 1 . 2]"
1 68 LYS 4.809 0.946 19 1 "[ . 1 . +2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.700 0.136 10 0 "[ . 1 . 2]"
1 71 ILE 1.488 0.726 19 1 "[ . 1 . +2]"
1 72 GLN 1.783 0.154 15 0 "[ . 1 . 2]"
1 73 GLN 5.516 0.502 18 1 "[ . 1 . + 2]"
1 74 ALA 3.340 0.216 19 0 "[ . 1 . 2]"
1 75 ARG 5.566 0.851 17 2 "[ . - 1 . + 2]"
1 76 LYS 0.723 0.372 20 0 "[ . 1 . 2]"
1 77 ARG 1.007 0.372 20 0 "[ . 1 . 2]"
1 78 ALA 1.084 0.224 2 0 "[ . 1 . 2]"
1 79 ALA 0.117 0.047 20 0 "[ . 1 . 2]"
1 80 GLN 3.867 0.326 18 0 "[ . 1 . 2]"
1 81 GLU 1.420 0.326 18 0 "[ . 1 . 2]"
1 82 THR 0.315 0.074 20 0 "[ . 1 . 2]"
1 83 GLU 0.928 0.382 15 0 "[ . 1 . 2]"
1 84 ARG 0.937 0.297 12 0 "[ . 1 . 2]"
1 85 LEU 0.275 0.046 19 0 "[ . 1 . 2]"
1 86 LEU 1.345 0.382 15 0 "[ . 1 . 2]"
1 87 LYS 6.727 0.859 13 2 "[ . - 1 + . 2]"
1 88 GLU 3.215 0.859 13 3 "[ . * 1 + . -]"
1 89 LEU 1.169 0.525 1 1 "[+ . 1 . 2]"
1 90 GLU 1.350 0.404 13 0 "[ . 1 . 2]"
1 91 GLN 1.469 0.535 20 1 "[ . 1 . +]"
1 92 ASN 1.245 0.502 16 1 "[ . 1 .+ 2]"
1 93 ALA 2.858 0.319 11 0 "[ . 1 . 2]"
1 94 SER 2.074 0.135 7 0 "[ . 1 . 2]"
1 95 GLY 1.933 0.135 7 0 "[ . 1 . 2]"
1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 MET HA 1 10 MET HG2 . . 4.060 3.025 2.019 4.192 0.132 20 0 "[ . 1 . 2]" 1
2 1 10 MET HB2 1 10 MET HG2 . . 2.880 2.820 2.813 2.823 . 0 0 "[ . 1 . 2]" 1
3 1 10 MET HB2 1 10 MET HG3 . . 2.770 2.678 2.273 2.953 0.183 18 0 "[ . 1 . 2]" 1
4 1 10 MET HB3 1 10 MET HG2 . . 2.820 2.544 2.273 2.950 0.130 1 0 "[ . 1 . 2]" 1
5 1 10 MET HB3 1 10 MET HG3 . . 2.740 2.820 2.814 2.822 0.082 2 0 "[ . 1 . 2]" 1
6 1 12 ASN HB3 1 13 GLN H . . 5.370 3.717 2.474 4.461 . 0 0 "[ . 1 . 2]" 1
7 1 13 GLN H 1 13 GLN QG . . 4.470 3.877 2.486 4.118 . 0 0 "[ . 1 . 2]" 1
8 1 13 GLN HA 1 13 GLN QG . . 3.390 2.282 2.116 3.300 . 0 0 "[ . 1 . 2]" 1
9 1 13 GLN HA 1 14 HIS H . . 3.290 2.366 2.210 2.797 . 0 0 "[ . 1 . 2]" 1
10 1 13 GLN HA 1 14 HIS HB2 . . 4.680 4.283 3.972 4.397 . 0 0 "[ . 1 . 2]" 1
11 1 13 GLN HA 1 14 HIS HB3 . . 4.910 4.837 4.695 4.895 . 0 0 "[ . 1 . 2]" 1
12 1 13 GLN HA 1 17 ILE MG . . 4.630 4.605 4.431 4.673 0.043 9 0 "[ . 1 . 2]" 1
13 1 13 GLN HB2 1 13 GLN HE22 . . 5.090 4.543 3.738 5.092 0.002 16 0 "[ . 1 . 2]" 1
14 1 13 GLN HB2 1 14 HIS H . . 4.940 4.660 4.485 4.743 . 0 0 "[ . 1 . 2]" 1
15 1 13 GLN HB3 1 14 HIS H . . 4.730 4.427 4.338 4.730 0.000 3 0 "[ . 1 . 2]" 1
16 1 13 GLN HB3 1 18 SER HB2 . . 4.290 3.702 2.506 5.038 0.748 3 1 "[ + . 1 . 2]" 1
17 1 13 GLN HE21 1 17 ILE MG . . 4.930 3.315 2.741 3.751 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLN HE21 1 18 SER HA . . 4.990 2.902 2.257 3.509 . 0 0 "[ . 1 . 2]" 1
19 1 13 GLN HE22 1 13 GLN QG . . 3.800 3.270 3.232 3.473 . 0 0 "[ . 1 . 2]" 1
20 1 13 GLN HE22 1 17 ILE MG . . 5.070 4.526 3.802 5.048 . 0 0 "[ . 1 . 2]" 1
21 1 13 GLN HE22 1 18 SER HA . . 4.560 3.649 2.430 4.819 0.259 19 0 "[ . 1 . 2]" 1
22 1 13 GLN QG 1 14 HIS H . . 4.630 3.591 3.092 4.285 . 0 0 "[ . 1 . 2]" 1
23 1 13 GLN QG 1 17 ILE MG . . 3.710 3.149 1.954 3.643 . 0 0 "[ . 1 . 2]" 1
24 1 13 GLN QG 1 18 SER H . . 4.590 3.627 3.051 4.193 . 0 0 "[ . 1 . 2]" 1
25 1 13 GLN QG 1 18 SER HA . . 5.160 3.797 3.276 4.556 . 0 0 "[ . 1 . 2]" 1
26 1 13 GLN QG 1 18 SER HB2 . . 3.920 2.722 1.970 3.832 . 0 0 "[ . 1 . 2]" 1
27 1 14 HIS H 1 14 HIS HB2 . . 3.940 2.303 2.116 3.027 . 0 0 "[ . 1 . 2]" 1
28 1 14 HIS H 1 14 HIS HB3 . . 4.060 3.066 2.865 3.799 . 0 0 "[ . 1 . 2]" 1
29 1 14 HIS H 1 15 PRO HD2 . . 5.390 4.920 4.681 4.986 . 0 0 "[ . 1 . 2]" 1
30 1 14 HIS H 1 17 ILE HB . . 4.920 3.810 3.421 4.890 . 0 0 "[ . 1 . 2]" 1
31 1 14 HIS HA 1 14 HIS HD2 . . 4.570 3.242 3.115 3.421 . 0 0 "[ . 1 . 2]" 1
32 1 14 HIS HA 1 15 PRO HB3 . . 5.080 4.962 4.961 4.963 . 0 0 "[ . 1 . 2]" 1
33 1 14 HIS HA 1 15 PRO HD2 . . 3.120 2.552 2.511 2.576 . 0 0 "[ . 1 . 2]" 1
34 1 14 HIS HA 1 15 PRO HD3 . . 3.020 1.933 1.924 1.940 . 0 0 "[ . 1 . 2]" 1
35 1 14 HIS HA 1 15 PRO HG3 . . 4.120 4.206 4.196 4.213 0.093 18 0 "[ . 1 . 2]" 1
36 1 14 HIS HB2 1 14 HIS HD2 . . 3.900 2.855 2.800 2.900 . 0 0 "[ . 1 . 2]" 1
37 1 14 HIS HB2 1 15 PRO HD2 . . 4.810 4.060 4.034 4.129 . 0 0 "[ . 1 . 2]" 1
38 1 14 HIS HB2 1 15 PRO HD3 . . 4.850 4.357 4.334 4.412 . 0 0 "[ . 1 . 2]" 1
39 1 14 HIS HB2 1 17 ILE H . . 4.690 3.917 3.657 4.421 . 0 0 "[ . 1 . 2]" 1
40 1 14 HIS HB2 1 17 ILE HB . . 4.820 3.433 3.088 3.887 . 0 0 "[ . 1 . 2]" 1
41 1 14 HIS HB2 1 17 ILE MD . . 4.670 4.681 4.637 4.725 0.055 3 0 "[ . 1 . 2]" 1
42 1 14 HIS HB2 1 17 ILE HG12 . . 4.660 3.581 3.433 3.970 . 0 0 "[ . 1 . 2]" 1
43 1 14 HIS HB2 1 17 ILE HG13 . . 4.700 3.221 3.077 3.413 . 0 0 "[ . 1 . 2]" 1
44 1 14 HIS HB2 1 71 ILE MD . . 5.060 3.998 3.222 4.871 . 0 0 "[ . 1 . 2]" 1
45 1 14 HIS HB3 1 16 SER H . . 5.220 3.056 2.729 3.535 . 0 0 "[ . 1 . 2]" 1
46 1 14 HIS HB3 1 17 ILE H . . 4.160 2.184 1.956 2.723 . 0 0 "[ . 1 . 2]" 1
47 1 14 HIS HB3 1 17 ILE HB . . 4.590 2.207 1.981 2.712 . 0 0 "[ . 1 . 2]" 1
48 1 14 HIS HB3 1 17 ILE MD . . 4.250 3.954 3.860 4.120 . 0 0 "[ . 1 . 2]" 1
49 1 14 HIS HB3 1 17 ILE HG12 . . 4.460 2.398 2.209 2.886 . 0 0 "[ . 1 . 2]" 1
50 1 14 HIS HB3 1 17 ILE HG13 . . 4.240 2.717 2.354 2.871 . 0 0 "[ . 1 . 2]" 1
51 1 14 HIS HB3 1 18 SER H . . 4.990 3.706 3.088 4.146 . 0 0 "[ . 1 . 2]" 1
52 1 14 HIS HB3 1 71 ILE MD . . 4.850 3.521 2.701 4.440 . 0 0 "[ . 1 . 2]" 1
53 1 14 HIS HD2 1 15 PRO HD2 . . 5.080 3.568 3.414 3.768 . 0 0 "[ . 1 . 2]" 1
54 1 14 HIS HD2 1 71 ILE MD . . 4.290 3.875 3.548 4.293 0.003 17 0 "[ . 1 . 2]" 1
55 1 14 HIS HE1 1 15 PRO HD2 . . 4.890 3.303 3.277 3.366 . 0 0 "[ . 1 . 2]" 1
56 1 14 HIS HE1 1 15 PRO HG2 . . 5.310 4.094 4.049 4.195 . 0 0 "[ . 1 . 2]" 1
57 1 14 HIS HE1 1 16 SER H . . 4.360 3.457 3.193 3.762 . 0 0 "[ . 1 . 2]" 1
58 1 14 HIS HE1 1 16 SER HA . . 4.870 4.847 4.678 4.914 0.044 18 0 "[ . 1 . 2]" 1
59 1 14 HIS HE1 1 16 SER HB2 . . 4.930 2.666 2.061 3.075 . 0 0 "[ . 1 . 2]" 1
60 1 14 HIS HE1 1 16 SER HB3 . . 4.560 3.650 2.558 3.953 . 0 0 "[ . 1 . 2]" 1
61 1 14 HIS HE1 1 71 ILE MD . . 4.400 2.405 2.074 2.812 . 0 0 "[ . 1 . 2]" 1
62 1 14 HIS HE1 1 71 ILE MG . . 5.000 4.336 3.852 5.012 0.012 12 0 "[ . 1 . 2]" 1
63 1 15 PRO HA 1 17 ILE H . . 4.880 4.263 3.515 4.925 0.045 11 0 "[ . 1 . 2]" 1
64 1 15 PRO HA 1 18 SER H . . 3.920 3.679 3.087 3.949 0.029 12 0 "[ . 1 . 2]" 1
65 1 15 PRO HA 1 18 SER HB3 . . 3.370 2.973 2.625 3.308 . 0 0 "[ . 1 . 2]" 1
66 1 15 PRO HA 1 19 ARG H . . 4.540 4.307 3.889 4.577 0.037 19 0 "[ . 1 . 2]" 1
67 1 15 PRO HB3 1 16 SER H . . 4.690 4.457 4.269 4.595 . 0 0 "[ . 1 . 2]" 1
68 1 15 PRO HD2 1 16 SER H . . 4.380 2.417 2.255 2.665 . 0 0 "[ . 1 . 2]" 1
69 1 15 PRO HD3 1 16 SER H . . 5.060 3.704 3.657 3.806 . 0 0 "[ . 1 . 2]" 1
70 1 15 PRO HG2 1 16 SER H . . 4.660 3.397 2.933 3.804 . 0 0 "[ . 1 . 2]" 1
71 1 16 SER H 1 17 ILE H . . 3.820 2.266 2.038 2.502 . 0 0 "[ . 1 . 2]" 1
72 1 16 SER H 1 18 SER H . . 5.310 3.944 3.346 4.431 . 0 0 "[ . 1 . 2]" 1
73 1 16 SER HA 1 19 ARG H . . 4.010 3.556 3.368 3.818 . 0 0 "[ . 1 . 2]" 1
74 1 16 SER HA 1 19 ARG HB3 . . 3.650 3.160 2.465 3.795 0.145 12 0 "[ . 1 . 2]" 1
75 1 16 SER HA 1 20 LEU H . . 4.950 4.338 3.975 4.801 . 0 0 "[ . 1 . 2]" 1
76 1 16 SER HA 1 63 VAL HA . . 4.600 4.500 4.093 4.627 0.027 18 0 "[ . 1 . 2]" 1
77 1 16 SER HA 1 63 VAL QG . . 3.680 2.754 1.905 3.169 . 0 0 "[ . 1 . 2]" 1
78 1 16 SER HA 1 71 ILE MD . . 4.480 4.472 4.169 4.537 0.057 9 0 "[ . 1 . 2]" 1
79 1 16 SER HB2 1 17 ILE H . . 5.090 3.018 2.501 4.405 . 0 0 "[ . 1 . 2]" 1
80 1 16 SER HB2 1 63 VAL QG . . 3.810 3.488 3.001 3.757 . 0 0 "[ . 1 . 2]" 1
81 1 16 SER HB2 1 71 ILE MD . . 4.270 2.083 1.857 3.385 . 0 0 "[ . 1 . 2]" 1
82 1 16 SER HB2 1 71 ILE MG . . 3.870 3.125 2.677 3.885 0.015 18 0 "[ . 1 . 2]" 1
83 1 16 SER HB3 1 17 ILE H . . 5.260 3.747 2.623 4.191 . 0 0 "[ . 1 . 2]" 1
84 1 16 SER HB3 1 17 ILE MD . . 4.700 4.494 3.679 4.895 0.195 7 0 "[ . 1 . 2]" 1
85 1 16 SER HB3 1 63 VAL QG . . 3.700 2.345 1.850 3.668 . 0 0 "[ . 1 . 2]" 1
86 1 16 SER HB3 1 71 ILE MD . . 4.570 2.528 1.918 2.839 . 0 0 "[ . 1 . 2]" 1
87 1 17 ILE H 1 17 ILE HB . . 3.420 2.308 2.205 2.443 . 0 0 "[ . 1 . 2]" 1
88 1 17 ILE H 1 17 ILE MD . . 4.140 3.679 3.483 4.009 . 0 0 "[ . 1 . 2]" 1
89 1 17 ILE H 1 17 ILE HG12 . . 3.940 2.396 2.070 2.763 . 0 0 "[ . 1 . 2]" 1
90 1 17 ILE H 1 17 ILE HG13 . . 3.920 3.570 3.154 3.846 . 0 0 "[ . 1 . 2]" 1
91 1 17 ILE H 1 17 ILE MG . . 3.780 3.681 3.632 3.750 . 0 0 "[ . 1 . 2]" 1
92 1 17 ILE H 1 18 SER H . . 3.330 2.555 1.990 2.796 . 0 0 "[ . 1 . 2]" 1
93 1 17 ILE H 1 18 SER HB2 . . 5.330 4.900 4.404 5.176 . 0 0 "[ . 1 . 2]" 1
94 1 17 ILE H 1 19 ARG H . . 4.550 3.766 3.407 4.058 . 0 0 "[ . 1 . 2]" 1
95 1 17 ILE H 1 71 ILE MD . . 5.360 3.725 3.297 4.300 . 0 0 "[ . 1 . 2]" 1
96 1 17 ILE HA 1 17 ILE MD . . 3.260 2.186 2.027 2.320 . 0 0 "[ . 1 . 2]" 1
97 1 17 ILE HA 1 17 ILE HG12 . . 3.910 2.801 2.681 2.926 . 0 0 "[ . 1 . 2]" 1
98 1 17 ILE HA 1 17 ILE HG13 . . 4.060 3.699 3.639 3.761 . 0 0 "[ . 1 . 2]" 1
99 1 17 ILE HA 1 17 ILE MG . . 3.210 2.443 2.345 2.551 . 0 0 "[ . 1 . 2]" 1
100 1 17 ILE HA 1 19 ARG H . . 5.380 3.943 3.653 4.394 . 0 0 "[ . 1 . 2]" 1
101 1 17 ILE HA 1 20 LEU H . . 4.280 3.383 2.956 3.676 . 0 0 "[ . 1 . 2]" 1
102 1 17 ILE HA 1 20 LEU HB2 . . 4.370 2.954 2.392 5.156 0.786 14 1 "[ . 1 +. 2]" 1
103 1 17 ILE HA 1 20 LEU QD . . 3.710 2.996 2.632 3.439 . 0 0 "[ . 1 . 2]" 1
104 1 17 ILE HA 1 74 ALA MB . . 4.470 4.331 3.923 4.489 0.019 11 0 "[ . 1 . 2]" 1
105 1 17 ILE HB 1 18 SER H . . 3.580 2.621 2.468 2.883 . 0 0 "[ . 1 . 2]" 1
106 1 17 ILE HB 1 19 ARG H . . 5.020 4.827 4.625 5.036 0.016 4 0 "[ . 1 . 2]" 1
107 1 17 ILE MD 1 18 SER H . . 5.110 4.766 4.664 4.904 . 0 0 "[ . 1 . 2]" 1
108 1 17 ILE MD 1 70 ASP HA . . 4.870 4.607 4.290 4.934 0.064 18 0 "[ . 1 . 2]" 1
109 1 17 ILE MD 1 70 ASP HB2 . . 4.360 3.909 3.326 4.496 0.136 10 0 "[ . 1 . 2]" 1
110 1 17 ILE MD 1 70 ASP HB3 . . 4.510 3.267 2.668 4.157 . 0 0 "[ . 1 . 2]" 1
111 1 17 ILE MD 1 71 ILE H . . 5.100 3.978 3.524 4.372 . 0 0 "[ . 1 . 2]" 1
112 1 17 ILE MD 1 71 ILE HA . . 3.590 2.405 1.909 2.639 . 0 0 "[ . 1 . 2]" 1
113 1 17 ILE MD 1 71 ILE HG12 . . 3.700 2.054 1.887 2.590 . 0 0 "[ . 1 . 2]" 1
114 1 17 ILE MD 1 71 ILE HG13 . . 3.170 2.783 2.108 3.261 0.091 18 0 "[ . 1 . 2]" 1
115 1 17 ILE HG12 1 18 SER H . . 5.270 4.423 4.238 4.542 . 0 0 "[ . 1 . 2]" 1
116 1 17 ILE HG12 1 71 ILE HA . . 4.320 4.287 3.982 4.344 0.024 9 0 "[ . 1 . 2]" 1
117 1 17 ILE HG12 1 71 ILE MD . . 4.740 2.814 2.369 3.650 . 0 0 "[ . 1 . 2]" 1
118 1 17 ILE HG12 1 71 ILE HG12 . . 4.430 2.185 1.992 2.615 . 0 0 "[ . 1 . 2]" 1
119 1 17 ILE HG12 1 71 ILE HG13 . . 4.000 3.271 2.653 3.968 . 0 0 "[ . 1 . 2]" 1
120 1 17 ILE HG13 1 17 ILE MG . . 3.420 2.457 2.392 2.626 . 0 0 "[ . 1 . 2]" 1
121 1 17 ILE HG13 1 18 SER H . . 5.070 4.903 4.743 5.014 . 0 0 "[ . 1 . 2]" 1
122 1 17 ILE HG13 1 71 ILE HG12 . . 4.220 3.364 2.546 3.950 . 0 0 "[ . 1 . 2]" 1
123 1 17 ILE MG 1 18 SER H . . 3.950 3.236 2.833 3.618 . 0 0 "[ . 1 . 2]" 1
124 1 17 ILE MG 1 18 SER HA . . 4.200 3.376 3.055 3.647 . 0 0 "[ . 1 . 2]" 1
125 1 17 ILE MG 1 18 SER HB2 . . 4.710 4.297 3.897 4.630 . 0 0 "[ . 1 . 2]" 1
126 1 17 ILE MG 1 19 ARG H . . 4.970 4.662 4.452 4.956 . 0 0 "[ . 1 . 2]" 1
127 1 17 ILE MG 1 21 GLN H . . 4.250 3.891 3.410 4.268 0.018 18 0 "[ . 1 . 2]" 1
128 1 17 ILE MG 1 21 GLN HE21 . . 4.170 2.576 1.911 3.325 . 0 0 "[ . 1 . 2]" 1
129 1 17 ILE MG 1 21 GLN HE22 . . 4.230 3.670 2.140 4.244 0.014 9 0 "[ . 1 . 2]" 1
130 1 17 ILE MG 1 21 GLN HG2 . . 4.320 4.161 3.489 4.329 0.009 17 0 "[ . 1 . 2]" 1
131 1 17 ILE MG 1 21 GLN HG3 . . 3.560 2.769 2.108 3.144 . 0 0 "[ . 1 . 2]" 1
132 1 18 SER H 1 18 SER HB2 . . 3.360 2.473 2.321 2.588 . 0 0 "[ . 1 . 2]" 1
133 1 18 SER H 1 19 ARG H . . 3.590 2.726 2.525 2.886 . 0 0 "[ . 1 . 2]" 1
134 1 18 SER HA 1 18 SER HB2 . . 2.670 2.459 2.415 2.526 . 0 0 "[ . 1 . 2]" 1
135 1 18 SER HA 1 21 GLN H . . 4.040 3.569 3.381 3.971 . 0 0 "[ . 1 . 2]" 1
136 1 18 SER HA 1 21 GLN HB2 . . 3.720 2.486 2.198 2.801 . 0 0 "[ . 1 . 2]" 1
137 1 18 SER HA 1 21 GLN HB3 . . 4.100 3.879 3.400 4.122 0.022 17 0 "[ . 1 . 2]" 1
138 1 18 SER HA 1 21 GLN HG3 . . 4.830 3.845 2.926 4.500 . 0 0 "[ . 1 . 2]" 1
139 1 18 SER HB3 1 19 ARG H . . 3.570 2.973 2.589 3.223 . 0 0 "[ . 1 . 2]" 1
140 1 19 ARG H 1 19 ARG HB2 . . 3.080 2.444 2.021 2.827 . 0 0 "[ . 1 . 2]" 1
141 1 19 ARG H 1 19 ARG HG2 . . 4.630 4.539 4.211 4.642 0.012 11 0 "[ . 1 . 2]" 1
142 1 19 ARG H 1 19 ARG HG3 . . 4.220 4.287 4.218 4.398 0.178 18 0 "[ . 1 . 2]" 1
143 1 19 ARG H 1 20 LEU H . . 3.490 2.695 2.389 2.969 . 0 0 "[ . 1 . 2]" 1
144 1 19 ARG H 1 20 LEU HB2 . . 5.420 4.596 4.222 6.180 0.760 14 1 "[ . 1 +. 2]" 1
145 1 19 ARG H 1 20 LEU QD . . 5.500 4.557 3.371 5.162 . 0 0 "[ . 1 . 2]" 1
146 1 19 ARG HA 1 19 ARG QD . . 3.350 2.277 1.986 2.748 . 0 0 "[ . 1 . 2]" 1
147 1 19 ARG HA 1 19 ARG HG2 . . 4.150 3.742 3.549 3.882 . 0 0 "[ . 1 . 2]" 1
148 1 19 ARG HA 1 19 ARG HG3 . . 4.110 2.794 2.279 3.380 . 0 0 "[ . 1 . 2]" 1
149 1 19 ARG HA 1 22 GLU H . . 4.020 3.323 3.131 3.546 . 0 0 "[ . 1 . 2]" 1
150 1 19 ARG HA 1 22 GLU HB2 . . 3.570 2.902 2.398 4.018 0.448 9 0 "[ . 1 . 2]" 1
151 1 19 ARG HA 1 22 GLU HB3 . . 4.270 3.856 2.356 4.290 0.020 18 0 "[ . 1 . 2]" 1
152 1 19 ARG HA 1 22 GLU HG3 . . 4.690 4.407 3.164 5.509 0.819 9 2 "[ . +1 . -]" 1
153 1 19 ARG HA 1 23 ILE H . . 4.800 4.605 4.293 4.824 0.024 18 0 "[ . 1 . 2]" 1
154 1 19 ARG HB2 1 19 ARG QD . . 3.910 2.448 2.151 2.748 . 0 0 "[ . 1 . 2]" 1
155 1 19 ARG HB3 1 19 ARG HG3 . . 3.040 2.596 2.457 2.766 . 0 0 "[ . 1 . 2]" 1
156 1 19 ARG HB3 1 20 LEU H . . 3.230 2.375 2.020 2.621 . 0 0 "[ . 1 . 2]" 1
157 1 19 ARG HB3 1 63 VAL QG . . 4.290 2.367 1.905 2.897 . 0 0 "[ . 1 . 2]" 1
158 1 19 ARG QD 1 22 GLU HB2 . . 4.340 3.970 3.136 5.276 0.936 13 3 "[ . -1 + . *]" 1
159 1 19 ARG QD 1 23 ILE MD . . 4.600 2.923 1.877 4.018 . 0 0 "[ . 1 . 2]" 1
160 1 19 ARG QD 1 63 VAL QG . . 4.850 3.818 3.338 4.302 . 0 0 "[ . 1 . 2]" 1
161 1 19 ARG HG2 1 23 ILE MD . . 3.660 2.873 2.589 3.465 . 0 0 "[ . 1 . 2]" 1
162 1 19 ARG HG2 1 63 VAL QG . . 4.220 2.280 1.854 2.903 . 0 0 "[ . 1 . 2]" 1
163 1 19 ARG HG3 1 63 VAL QG . . 4.010 3.033 2.210 3.962 . 0 0 "[ . 1 . 2]" 1
164 1 20 LEU H 1 20 LEU HB2 . . 3.920 2.281 2.055 3.412 . 0 0 "[ . 1 . 2]" 1
165 1 20 LEU H 1 20 LEU HB3 . . 3.860 3.402 2.098 3.527 . 0 0 "[ . 1 . 2]" 1
166 1 20 LEU H 1 20 LEU QD . . 3.950 2.829 1.786 3.397 . 0 0 "[ . 1 . 2]" 1
167 1 20 LEU H 1 20 LEU HG . . 3.620 3.015 2.327 3.766 0.146 17 0 "[ . 1 . 2]" 1
168 1 20 LEU H 1 21 GLN H . . 3.690 2.763 2.666 2.903 . 0 0 "[ . 1 . 2]" 1
169 1 20 LEU H 1 21 GLN HB2 . . 5.260 4.638 4.467 4.885 . 0 0 "[ . 1 . 2]" 1
170 1 20 LEU H 1 23 ILE MD . . 4.390 3.741 3.346 4.213 . 0 0 "[ . 1 . 2]" 1
171 1 20 LEU H 1 63 VAL QG . . 4.430 3.126 2.044 3.720 . 0 0 "[ . 1 . 2]" 1
172 1 20 LEU HA 1 20 LEU QD . . 3.120 2.242 1.965 3.046 . 0 0 "[ . 1 . 2]" 1
173 1 20 LEU HA 1 23 ILE HB . . 3.380 2.245 2.014 2.575 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU HA 1 23 ILE MD . . 3.310 2.401 2.069 3.002 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU HB2 1 21 GLN H . . 4.330 2.989 2.668 4.366 0.036 14 0 "[ . 1 . 2]" 1
176 1 20 LEU HB3 1 21 GLN H . . 4.490 3.551 3.277 4.013 . 0 0 "[ . 1 . 2]" 1
177 1 20 LEU QD 1 21 GLN H . . 4.800 4.051 3.022 4.376 . 0 0 "[ . 1 . 2]" 1
178 1 20 LEU QD 1 74 ALA HA . . 4.170 3.893 3.529 4.046 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU QD 1 74 ALA MB . . 2.770 1.874 1.724 2.041 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU QD 1 75 ARG H . . 3.860 2.354 1.902 2.870 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU QD 1 75 ARG HA . . 3.340 1.941 1.731 2.465 . 0 0 "[ . 1 . 2]" 1
182 1 20 LEU QD 1 75 ARG HB2 . . 3.980 2.651 2.014 3.630 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU QD 1 76 LYS H . . 5.230 4.406 4.108 5.042 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HG 1 63 VAL QG . . 3.650 2.477 1.811 3.457 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HG 1 75 ARG HG3 . . 4.050 3.962 3.561 4.901 0.851 17 1 "[ . 1 . + 2]" 1
186 1 21 GLN H 1 21 GLN HB2 . . 3.390 2.150 2.083 2.315 . 0 0 "[ . 1 . 2]" 1
187 1 21 GLN H 1 21 GLN HB3 . . 3.800 3.439 3.386 3.525 . 0 0 "[ . 1 . 2]" 1
188 1 21 GLN H 1 21 GLN HG2 . . 4.000 3.679 3.169 3.982 . 0 0 "[ . 1 . 2]" 1
189 1 21 GLN H 1 21 GLN HG3 . . 3.530 2.969 2.516 3.333 . 0 0 "[ . 1 . 2]" 1
190 1 21 GLN H 1 22 GLU H . . 3.370 2.638 2.318 2.860 . 0 0 "[ . 1 . 2]" 1
191 1 21 GLN H 1 23 ILE HB . . 5.070 5.053 4.786 5.109 0.039 19 0 "[ . 1 . 2]" 1
192 1 21 GLN HA 1 21 GLN HG2 . . 3.110 2.143 2.038 2.565 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLN HA 1 21 GLN HG3 . . 3.360 2.966 2.526 3.296 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLN HA 1 24 GLN H . . 3.870 3.447 3.186 3.691 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLN HB3 1 22 GLU H . . 3.820 3.638 3.298 3.864 0.044 15 0 "[ . 1 . 2]" 1
196 1 22 GLU H 1 22 GLU HB2 . . 3.090 2.288 2.063 3.124 0.034 13 0 "[ . 1 . 2]" 1
197 1 22 GLU H 1 22 GLU HG3 . . 3.930 3.806 3.281 4.428 0.498 13 0 "[ . 1 . 2]" 1
198 1 22 GLU H 1 23 ILE H . . 3.330 2.303 2.121 2.475 . 0 0 "[ . 1 . 2]" 1
199 1 22 GLU H 1 23 ILE HB . . 4.530 4.210 4.032 4.342 . 0 0 "[ . 1 . 2]" 1
200 1 22 GLU H 1 23 ILE MD . . 5.170 4.110 3.710 4.532 . 0 0 "[ . 1 . 2]" 1
201 1 22 GLU H 1 23 ILE MG . . 5.500 5.431 5.305 5.531 0.031 14 0 "[ . 1 . 2]" 1
202 1 22 GLU H 1 24 GLN H . . 4.320 3.879 3.678 4.227 . 0 0 "[ . 1 . 2]" 1
203 1 22 GLU HA 1 22 GLU HG2 . . 4.070 2.290 1.988 3.598 . 0 0 "[ . 1 . 2]" 1
204 1 22 GLU HA 1 25 ARG HD3 . . 4.410 2.400 1.994 4.030 . 0 0 "[ . 1 . 2]" 1
205 1 22 GLU HA 1 25 ARG HG2 . . 3.760 2.264 1.993 2.624 . 0 0 "[ . 1 . 2]" 1
206 1 22 GLU HB2 1 22 GLU HG3 . . 2.400 2.342 2.264 2.612 0.212 20 0 "[ . 1 . 2]" 1
207 1 22 GLU HB2 1 23 ILE H . . 3.680 3.592 3.108 4.486 0.806 9 3 "[ . +1 * . -]" 1
208 1 22 GLU HG2 1 23 ILE H . . 5.120 4.844 3.734 5.122 0.002 4 0 "[ . 1 . 2]" 1
209 1 23 ILE H 1 23 ILE HB . . 3.130 2.232 2.132 2.384 . 0 0 "[ . 1 . 2]" 1
210 1 23 ILE H 1 23 ILE MD . . 3.730 3.138 2.643 3.565 . 0 0 "[ . 1 . 2]" 1
211 1 23 ILE H 1 23 ILE HG13 . . 3.910 3.081 2.650 3.495 . 0 0 "[ . 1 . 2]" 1
212 1 23 ILE H 1 23 ILE MG . . 3.820 3.602 3.541 3.723 . 0 0 "[ . 1 . 2]" 1
213 1 23 ILE H 1 24 GLN H . . 3.550 2.250 1.931 2.570 . 0 0 "[ . 1 . 2]" 1
214 1 23 ILE HA 1 23 ILE MD . . 4.190 3.689 3.527 3.851 . 0 0 "[ . 1 . 2]" 1
215 1 23 ILE HA 1 23 ILE HG12 . . 3.390 2.874 2.575 3.088 . 0 0 "[ . 1 . 2]" 1
216 1 23 ILE HA 1 23 ILE HG13 . . 3.510 2.322 2.127 2.773 . 0 0 "[ . 1 . 2]" 1
217 1 23 ILE HA 1 26 GLU H . . 4.020 3.435 3.109 3.704 . 0 0 "[ . 1 . 2]" 1
218 1 23 ILE HA 1 26 GLU HB2 . . 3.490 2.592 2.375 2.682 . 0 0 "[ . 1 . 2]" 1
219 1 23 ILE HA 1 26 GLU HB3 . . 4.120 4.110 3.818 4.167 0.047 13 0 "[ . 1 . 2]" 1
220 1 23 ILE HA 1 26 GLU HG2 . . 4.460 4.040 3.794 4.296 . 0 0 "[ . 1 . 2]" 1
221 1 23 ILE HA 1 26 GLU HG3 . . 4.460 2.831 2.586 3.162 . 0 0 "[ . 1 . 2]" 1
222 1 23 ILE HA 1 27 VAL H . . 5.030 4.199 3.954 4.466 . 0 0 "[ . 1 . 2]" 1
223 1 23 ILE HB 1 23 ILE MD . . 3.630 2.062 1.957 2.248 . 0 0 "[ . 1 . 2]" 1
224 1 23 ILE HB 1 24 GLN H . . 3.560 2.934 2.619 3.231 . 0 0 "[ . 1 . 2]" 1
225 1 23 ILE MD 1 23 ILE MG . . 2.770 2.520 2.035 2.771 0.001 14 0 "[ . 1 . 2]" 1
226 1 23 ILE MD 1 24 GLN H . . 4.480 4.457 4.211 4.522 0.042 19 0 "[ . 1 . 2]" 1
227 1 23 ILE MD 1 59 GLU H . . 5.070 4.567 3.996 4.838 . 0 0 "[ . 1 . 2]" 1
228 1 23 ILE MD 1 59 GLU HB2 . . 3.510 3.115 2.743 3.444 . 0 0 "[ . 1 . 2]" 1
229 1 23 ILE MD 1 59 GLU HB3 . . 3.110 1.986 1.862 2.301 . 0 0 "[ . 1 . 2]" 1
230 1 23 ILE MD 1 59 GLU HG2 . . 4.640 4.434 4.194 4.697 0.057 10 0 "[ . 1 . 2]" 1
231 1 23 ILE MD 1 60 ILE H . . 4.190 3.911 3.171 4.205 0.015 8 0 "[ . 1 . 2]" 1
232 1 23 ILE MD 1 60 ILE HA . . 3.660 3.254 2.772 3.680 0.020 18 0 "[ . 1 . 2]" 1
233 1 23 ILE MD 1 63 VAL H . . 4.870 4.599 4.304 4.885 0.015 2 0 "[ . 1 . 2]" 1
234 1 23 ILE HG13 1 26 GLU HG3 . . 5.040 4.317 3.858 5.215 0.175 19 0 "[ . 1 . 2]" 1
235 1 23 ILE MG 1 24 GLN H . . 3.780 3.286 2.843 3.509 . 0 0 "[ . 1 . 2]" 1
236 1 23 ILE MG 1 24 GLN HB2 . . 4.970 4.777 4.483 4.983 0.013 6 0 "[ . 1 . 2]" 1
237 1 23 ILE MG 1 26 GLU HG3 . . 5.040 4.650 4.428 4.956 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE MG 1 56 GLN HA . . 4.030 3.349 2.851 3.735 . 0 0 "[ . 1 . 2]" 1
239 1 23 ILE MG 1 56 GLN HB2 . . 4.300 3.586 3.350 3.904 . 0 0 "[ . 1 . 2]" 1
240 1 23 ILE MG 1 56 GLN HB3 . . 3.840 2.114 1.942 2.425 . 0 0 "[ . 1 . 2]" 1
241 1 23 ILE MG 1 56 GLN HE21 . . 3.940 2.364 1.927 4.132 0.192 6 0 "[ . 1 . 2]" 1
242 1 23 ILE MG 1 56 GLN HE22 . . 4.230 3.300 2.896 4.099 . 0 0 "[ . 1 . 2]" 1
243 1 23 ILE MG 1 59 GLU HB2 . . 4.660 3.476 2.999 3.861 . 0 0 "[ . 1 . 2]" 1
244 1 24 GLN H 1 24 GLN HB2 . . 3.390 2.188 2.090 2.437 . 0 0 "[ . 1 . 2]" 1
245 1 24 GLN H 1 24 GLN HB3 . . 3.590 3.463 3.395 3.551 . 0 0 "[ . 1 . 2]" 1
246 1 24 GLN H 1 24 GLN HG2 . . 4.000 3.590 3.036 3.970 . 0 0 "[ . 1 . 2]" 1
247 1 24 GLN H 1 24 GLN HG3 . . 3.630 2.884 2.185 3.442 . 0 0 "[ . 1 . 2]" 1
248 1 24 GLN H 1 25 ARG H . . 3.530 2.776 2.667 2.955 . 0 0 "[ . 1 . 2]" 1
249 1 24 GLN H 1 27 VAL QG . . 5.160 3.989 3.766 4.100 . 0 0 "[ . 1 . 2]" 1
250 1 24 GLN H 1 78 ALA MB . . 5.250 4.747 4.431 5.220 . 0 0 "[ . 1 . 2]" 1
251 1 24 GLN HA 1 24 GLN HG2 . . 3.570 2.227 2.006 2.574 . 0 0 "[ . 1 . 2]" 1
252 1 24 GLN HA 1 24 GLN HG3 . . 3.890 2.986 2.477 3.492 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLN HA 1 27 VAL H . . 4.030 3.547 3.337 3.746 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLN HA 1 27 VAL QG . . 3.350 1.951 1.914 2.010 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLN HB2 1 25 ARG H . . 4.130 2.654 2.395 2.869 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLN HE22 1 78 ALA MB . . 5.020 4.041 3.341 5.244 0.224 2 0 "[ . 1 . 2]" 1
257 1 24 GLN HG2 1 78 ALA HA . . 4.090 3.882 3.253 4.105 0.015 11 0 "[ . 1 . 2]" 1
258 1 24 GLN HG2 1 78 ALA MB . . 3.980 2.801 2.284 3.406 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLN HG3 1 78 ALA MB . . 3.910 2.922 2.359 3.593 . 0 0 "[ . 1 . 2]" 1
260 1 25 ARG H 1 25 ARG HB2 . . 3.600 3.546 3.528 3.554 . 0 0 "[ . 1 . 2]" 1
261 1 25 ARG H 1 25 ARG HB3 . . 3.460 2.435 2.309 2.561 . 0 0 "[ . 1 . 2]" 1
262 1 25 ARG H 1 25 ARG HD3 . . 4.840 4.301 3.921 4.737 . 0 0 "[ . 1 . 2]" 1
263 1 25 ARG H 1 25 ARG HG2 . . 3.900 2.226 1.947 2.547 . 0 0 "[ . 1 . 2]" 1
264 1 25 ARG HA 1 25 ARG HG3 . . 3.810 3.702 3.589 3.784 . 0 0 "[ . 1 . 2]" 1
265 1 25 ARG HB3 1 25 ARG HD2 . . 4.170 2.734 2.421 3.908 . 0 0 "[ . 1 . 2]" 1
266 1 25 ARG HB3 1 25 ARG HD3 . . 4.030 3.239 2.697 3.770 . 0 0 "[ . 1 . 2]" 1
267 1 25 ARG HG2 1 26 GLU HB2 . . 5.070 4.505 4.172 5.060 . 0 0 "[ . 1 . 2]" 1
268 1 25 ARG HG3 1 26 GLU H . . 3.740 2.463 2.237 2.790 . 0 0 "[ . 1 . 2]" 1
269 1 25 ARG HG3 1 26 GLU HA . . 3.560 3.174 2.971 3.441 . 0 0 "[ . 1 . 2]" 1
270 1 25 ARG HG3 1 26 GLU HG3 . . 4.610 3.669 3.429 3.928 . 0 0 "[ . 1 . 2]" 1
271 1 26 GLU H 1 26 GLU HB2 . . 3.410 2.249 2.208 2.308 . 0 0 "[ . 1 . 2]" 1
272 1 26 GLU H 1 26 GLU HB3 . . 3.510 3.507 3.486 3.530 0.020 7 0 "[ . 1 . 2]" 1
273 1 26 GLU H 1 26 GLU HG2 . . 3.770 2.826 2.638 2.980 . 0 0 "[ . 1 . 2]" 1
274 1 26 GLU H 1 26 GLU HG3 . . 3.580 3.359 3.207 3.539 . 0 0 "[ . 1 . 2]" 1
275 1 26 GLU H 1 27 VAL H . . 3.330 2.775 2.635 2.998 . 0 0 "[ . 1 . 2]" 1
276 1 26 GLU H 1 27 VAL QG . . 4.140 3.529 3.408 3.647 . 0 0 "[ . 1 . 2]" 1
277 1 26 GLU H 1 29 ALA MB . . 4.860 4.356 4.210 4.832 . 0 0 "[ . 1 . 2]" 1
278 1 26 GLU HA 1 26 GLU HG2 . . 3.330 2.343 2.251 2.413 . 0 0 "[ . 1 . 2]" 1
279 1 26 GLU HA 1 26 GLU HG3 . . 3.870 3.599 3.548 3.635 . 0 0 "[ . 1 . 2]" 1
280 1 26 GLU HA 1 29 ALA H . . 3.800 3.194 3.051 3.534 . 0 0 "[ . 1 . 2]" 1
281 1 26 GLU HA 1 29 ALA MB . . 2.890 2.369 2.224 2.874 . 0 0 "[ . 1 . 2]" 1
282 1 26 GLU HB2 1 27 VAL H . . 3.920 2.359 2.225 2.514 . 0 0 "[ . 1 . 2]" 1
283 1 26 GLU HB2 1 27 VAL QG . . 4.110 3.037 2.893 3.135 . 0 0 "[ . 1 . 2]" 1
284 1 26 GLU HB2 1 56 GLN HE21 . . 5.200 2.260 1.940 3.546 . 0 0 "[ . 1 . 2]" 1
285 1 26 GLU HB2 1 56 GLN HE22 . . 4.620 3.040 2.295 3.455 . 0 0 "[ . 1 . 2]" 1
286 1 26 GLU HB3 1 27 VAL H . . 3.910 3.016 2.690 3.285 . 0 0 "[ . 1 . 2]" 1
287 1 26 GLU HB3 1 56 GLN HE21 . . 4.410 3.046 1.951 3.688 . 0 0 "[ . 1 . 2]" 1
288 1 26 GLU HB3 1 56 GLN HE22 . . 4.370 3.702 2.558 4.168 . 0 0 "[ . 1 . 2]" 1
289 1 26 GLU HG2 1 27 VAL H . . 4.910 4.603 4.548 4.688 . 0 0 "[ . 1 . 2]" 1
290 1 26 GLU HG2 1 56 GLN HE21 . . 5.160 4.434 3.720 4.957 . 0 0 "[ . 1 . 2]" 1
291 1 26 GLU HG2 1 56 GLN HE22 . . 4.880 4.281 3.516 4.774 . 0 0 "[ . 1 . 2]" 1
292 1 26 GLU HG3 1 27 VAL H . . 4.800 4.606 4.482 4.782 . 0 0 "[ . 1 . 2]" 1
293 1 27 VAL H 1 27 VAL HB . . 3.270 3.515 3.497 3.525 0.255 4 0 "[ . 1 . 2]" 1
294 1 27 VAL H 1 27 VAL QG . . 3.080 1.868 1.785 1.943 . 0 0 "[ . 1 . 2]" 1
295 1 27 VAL H 1 28 LYS H . . 3.560 2.707 2.602 2.826 . 0 0 "[ . 1 . 2]" 1
296 1 27 VAL H 1 29 ALA MB . . 4.840 4.855 4.790 4.945 0.105 15 0 "[ . 1 . 2]" 1
297 1 27 VAL HA 1 27 VAL QG . . 3.060 2.325 2.255 2.388 . 0 0 "[ . 1 . 2]" 1
298 1 27 VAL HA 1 29 ALA H . . 5.030 4.433 3.937 4.569 . 0 0 "[ . 1 . 2]" 1
299 1 27 VAL HA 1 30 ILE H . . 4.240 3.452 3.293 3.587 . 0 0 "[ . 1 . 2]" 1
300 1 27 VAL HA 1 30 ILE HB . . 4.330 4.475 4.290 4.505 0.175 14 0 "[ . 1 . 2]" 1
301 1 27 VAL HA 1 30 ILE MD . . 3.920 2.535 2.265 3.946 0.026 3 0 "[ . 1 . 2]" 1
302 1 27 VAL HA 1 30 ILE HG12 . . 3.810 2.138 1.967 2.265 . 0 0 "[ . 1 . 2]" 1
303 1 27 VAL HA 1 30 ILE HG13 . . 4.100 2.025 1.921 3.463 . 0 0 "[ . 1 . 2]" 1
304 1 27 VAL HA 1 30 ILE MG . . 3.690 3.604 1.922 3.763 0.073 5 0 "[ . 1 . 2]" 1
305 1 27 VAL HA 1 31 GLU H . . 5.010 4.582 4.273 4.958 . 0 0 "[ . 1 . 2]" 1
306 1 27 VAL HA 1 53 LEU QD . . 4.390 2.861 2.445 3.479 . 0 0 "[ . 1 . 2]" 1
307 1 27 VAL HB 1 28 LYS H . . 3.900 4.072 3.949 4.155 0.255 16 0 "[ . 1 . 2]" 1
308 1 27 VAL HB 1 53 LEU QD . . 4.070 2.436 2.070 2.748 . 0 0 "[ . 1 . 2]" 1
309 1 27 VAL QG 1 28 LYS H . . 3.910 2.265 2.101 2.377 . 0 0 "[ . 1 . 2]" 1
310 1 27 VAL QG 1 28 LYS HA . . 3.930 3.144 2.947 3.233 . 0 0 "[ . 1 . 2]" 1
311 1 27 VAL QG 1 28 LYS QE . . 4.400 3.991 3.591 4.221 . 0 0 "[ . 1 . 2]" 1
312 1 27 VAL QG 1 56 GLN H . . 4.610 4.327 3.988 4.584 . 0 0 "[ . 1 . 2]" 1
313 1 27 VAL QG 1 56 GLN HB2 . . 4.560 2.467 2.182 2.760 . 0 0 "[ . 1 . 2]" 1
314 1 27 VAL QG 1 56 GLN HB3 . . 3.850 2.396 2.146 2.720 . 0 0 "[ . 1 . 2]" 1
315 1 27 VAL QG 1 56 GLN HE21 . . 4.440 3.077 2.508 4.166 . 0 0 "[ . 1 . 2]" 1
316 1 27 VAL QG 1 56 GLN HE22 . . 4.600 4.341 3.966 4.512 . 0 0 "[ . 1 . 2]" 1
317 1 27 VAL QG 1 56 GLN HG2 . . 4.130 3.421 2.936 4.018 . 0 0 "[ . 1 . 2]" 1
318 1 27 VAL QG 1 81 GLU HB3 . . 4.150 3.032 2.419 4.037 . 0 0 "[ . 1 . 2]" 1
319 1 27 VAL QG 1 82 THR H . . 4.370 3.573 3.223 3.874 . 0 0 "[ . 1 . 2]" 1
320 1 27 VAL QG 1 82 THR HA . . 3.440 2.958 2.679 3.222 . 0 0 "[ . 1 . 2]" 1
321 1 28 LYS H 1 28 LYS HB2 . . 3.040 2.328 2.040 2.497 . 0 0 "[ . 1 . 2]" 1
322 1 28 LYS H 1 28 LYS HD3 . . 4.710 4.795 4.061 5.658 0.948 6 6 "[* *+ 1* .*- 2]" 1
323 1 28 LYS H 1 29 ALA H . . 3.500 2.448 2.392 2.728 . 0 0 "[ . 1 . 2]" 1
324 1 28 LYS H 1 30 ILE H . . 5.150 3.630 3.575 3.903 . 0 0 "[ . 1 . 2]" 1
325 1 28 LYS HA 1 28 LYS HD3 . . 3.770 3.144 2.102 4.597 0.827 16 7 "[* ** -* .+* 2]" 1
326 1 28 LYS HA 1 28 LYS QE . . 4.780 3.648 3.166 4.620 . 0 0 "[ . 1 . 2]" 1
327 1 28 LYS HA 1 28 LYS HG3 . . 3.450 2.640 2.150 3.523 0.073 15 0 "[ . 1 . 2]" 1
328 1 28 LYS HA 1 30 ILE H . . 4.600 3.581 3.388 3.830 . 0 0 "[ . 1 . 2]" 1
329 1 28 LYS HA 1 31 GLU H . . 4.030 2.985 2.854 3.195 . 0 0 "[ . 1 . 2]" 1
330 1 28 LYS HB3 1 29 ALA H . . 3.750 2.930 2.712 3.680 . 0 0 "[ . 1 . 2]" 1
331 1 28 LYS HB3 1 29 ALA HA . . 4.770 4.198 4.051 4.403 . 0 0 "[ . 1 . 2]" 1
332 1 28 LYS HB3 1 30 ILE H . . 4.610 4.733 4.674 4.911 0.301 10 0 "[ . 1 . 2]" 1
333 1 28 LYS HB3 1 31 GLU H . . 5.130 4.971 4.733 5.123 . 0 0 "[ . 1 . 2]" 1
334 1 28 LYS HD2 1 28 LYS HG3 . . 2.400 2.564 2.304 3.030 0.630 10 4 "[ ** + .- 2]" 1
335 1 29 ALA H 1 29 ALA MB . . 2.850 2.062 2.008 2.143 . 0 0 "[ . 1 . 2]" 1
336 1 29 ALA H 1 30 ILE H . . 3.420 2.558 2.479 2.596 . 0 0 "[ . 1 . 2]" 1
337 1 29 ALA H 1 30 ILE MG . . 4.090 3.953 3.158 4.145 0.055 5 0 "[ . 1 . 2]" 1
338 1 29 ALA H 1 31 GLU H . . 4.490 3.858 3.767 3.983 . 0 0 "[ . 1 . 2]" 1
339 1 29 ALA HA 1 31 GLU H . . 5.090 3.849 3.676 3.962 . 0 0 "[ . 1 . 2]" 1
340 1 29 ALA HA 1 32 PRO HD2 . . 4.840 3.760 3.434 3.892 . 0 0 "[ . 1 . 2]" 1
341 1 29 ALA HA 1 32 PRO HG3 . . 5.360 4.332 3.798 4.631 . 0 0 "[ . 1 . 2]" 1
342 1 29 ALA MB 1 30 ILE H . . 3.390 3.203 3.049 3.337 . 0 0 "[ . 1 . 2]" 1
343 1 29 ALA MB 1 30 ILE HA . . 4.340 4.144 4.075 4.215 . 0 0 "[ . 1 . 2]" 1
344 1 30 ILE H 1 30 ILE HB . . 3.550 3.734 3.701 3.772 0.222 15 0 "[ . 1 . 2]" 1
345 1 30 ILE H 1 30 ILE MD . . 4.310 3.609 3.083 4.154 . 0 0 "[ . 1 . 2]" 1
346 1 30 ILE H 1 30 ILE HG12 . . 3.650 3.283 3.075 3.528 . 0 0 "[ . 1 . 2]" 1
347 1 30 ILE H 1 30 ILE HG13 . . 3.770 2.068 1.903 2.734 . 0 0 "[ . 1 . 2]" 1
348 1 30 ILE H 1 30 ILE MG . . 3.450 2.781 2.178 3.051 . 0 0 "[ . 1 . 2]" 1
349 1 30 ILE H 1 31 GLU H . . 3.290 2.009 1.875 2.272 . 0 0 "[ . 1 . 2]" 1
350 1 30 ILE H 1 31 GLU HB2 . . 4.820 4.277 4.104 4.443 . 0 0 "[ . 1 . 2]" 1
351 1 30 ILE H 1 31 GLU HB3 . . 5.230 4.033 3.799 4.363 . 0 0 "[ . 1 . 2]" 1
352 1 30 ILE H 1 32 PRO HD2 . . 5.370 3.391 3.160 3.591 . 0 0 "[ . 1 . 2]" 1
353 1 30 ILE HA 1 30 ILE MD . . 3.670 3.662 3.520 3.734 0.064 4 0 "[ . 1 . 2]" 1
354 1 30 ILE HA 1 30 ILE HG13 . . 3.890 3.576 3.502 3.628 . 0 0 "[ . 1 . 2]" 1
355 1 30 ILE HA 1 30 ILE MG . . 3.150 2.380 2.254 2.595 . 0 0 "[ . 1 . 2]" 1
356 1 30 ILE HA 1 32 PRO HD2 . . 4.230 2.772 2.589 2.908 . 0 0 "[ . 1 . 2]" 1
357 1 30 ILE HA 1 33 GLN H . . 4.050 3.081 2.781 3.379 . 0 0 "[ . 1 . 2]" 1
358 1 30 ILE HA 1 33 GLN HB2 . . 4.120 2.429 2.035 2.814 . 0 0 "[ . 1 . 2]" 1
359 1 30 ILE HA 1 33 GLN HE21 . . 5.110 2.520 2.065 3.780 . 0 0 "[ . 1 . 2]" 1
360 1 30 ILE HA 1 33 GLN HE22 . . 4.130 3.877 3.479 4.131 0.001 1 0 "[ . 1 . 2]" 1
361 1 30 ILE HA 1 33 GLN HG3 . . 4.560 2.591 2.036 3.068 . 0 0 "[ . 1 . 2]" 1
362 1 30 ILE HB 1 30 ILE MD . . 3.410 2.065 1.975 2.159 . 0 0 "[ . 1 . 2]" 1
363 1 30 ILE HB 1 31 GLU H . . 4.310 4.446 4.354 4.535 0.225 20 0 "[ . 1 . 2]" 1
364 1 30 ILE HB 1 52 ILE HB . . 4.290 4.300 4.255 4.318 0.028 2 0 "[ . 1 . 2]" 1
365 1 30 ILE MD 1 31 GLU H . . 4.390 3.810 3.026 4.298 . 0 0 "[ . 1 . 2]" 1
366 1 30 ILE MD 1 33 GLN HB2 . . 4.550 3.613 3.318 3.997 . 0 0 "[ . 1 . 2]" 1
367 1 30 ILE MD 1 33 GLN HE21 . . 4.730 3.980 3.478 4.659 . 0 0 "[ . 1 . 2]" 1
368 1 30 ILE MD 1 52 ILE HB . . 3.850 3.063 2.491 3.662 . 0 0 "[ . 1 . 2]" 1
369 1 30 ILE MD 1 53 LEU QD . . 3.130 1.801 1.623 1.986 . 0 0 "[ . 1 . 2]" 1
370 1 30 ILE MD 1 53 LEU HG . . 3.630 2.329 1.801 3.722 0.092 16 0 "[ . 1 . 2]" 1
371 1 30 ILE HG12 1 30 ILE MG . . 3.510 2.017 1.962 2.196 . 0 0 "[ . 1 . 2]" 1
372 1 30 ILE HG12 1 31 GLU H . . 5.110 4.670 4.121 5.006 . 0 0 "[ . 1 . 2]" 1
373 1 30 ILE HG13 1 30 ILE MG . . 3.530 2.854 2.677 2.973 . 0 0 "[ . 1 . 2]" 1
374 1 30 ILE HG13 1 31 GLU H . . 4.650 3.071 2.700 3.393 . 0 0 "[ . 1 . 2]" 1
375 1 30 ILE MG 1 31 GLU H . . 4.090 4.165 3.717 4.285 0.195 5 0 "[ . 1 . 2]" 1
376 1 30 ILE MG 1 33 GLN HB2 . . 4.120 3.746 3.403 4.052 . 0 0 "[ . 1 . 2]" 1
377 1 30 ILE MG 1 33 GLN HE21 . . 5.140 2.349 1.905 3.426 . 0 0 "[ . 1 . 2]" 1
378 1 30 ILE MG 1 33 GLN HE22 . . 5.490 2.524 2.043 3.777 . 0 0 "[ . 1 . 2]" 1
379 1 31 GLU H 1 31 GLU HB2 . . 3.470 2.768 2.641 2.905 . 0 0 "[ . 1 . 2]" 1
380 1 31 GLU H 1 31 GLU HB3 . . 3.740 2.226 2.120 2.327 . 0 0 "[ . 1 . 2]" 1
381 1 31 GLU H 1 31 GLU HG2 . . 4.190 4.181 4.025 4.293 0.103 13 0 "[ . 1 . 2]" 1
382 1 31 GLU H 1 32 PRO HD2 . . 3.810 2.198 2.027 2.350 . 0 0 "[ . 1 . 2]" 1
383 1 31 GLU H 1 32 PRO HD3 . . 3.840 2.328 2.138 2.515 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLU HA 1 31 GLU HB2 . . 2.960 2.350 2.295 2.405 . 0 0 "[ . 1 . 2]" 1
385 1 31 GLU HA 1 31 GLU HG2 . . 3.390 3.297 3.099 3.433 0.043 19 0 "[ . 1 . 2]" 1
386 1 31 GLU HA 1 33 GLN H . . 4.780 3.865 3.537 4.615 . 0 0 "[ . 1 . 2]" 1
387 1 31 GLU HA 1 34 VAL H . . 3.890 3.770 3.668 3.896 0.006 14 0 "[ . 1 . 2]" 1
388 1 31 GLU HA 1 34 VAL QG . . 3.610 2.756 2.318 3.538 . 0 0 "[ . 1 . 2]" 1
389 1 31 GLU HA 1 35 VAL H . . 4.430 4.384 4.148 4.477 0.047 14 0 "[ . 1 . 2]" 1
390 1 31 GLU HA 1 35 VAL MG2 . . 4.030 3.790 3.514 4.013 . 0 0 "[ . 1 . 2]" 1
391 1 31 GLU HA 1 85 LEU QD . . 3.420 1.934 1.678 2.466 . 0 0 "[ . 1 . 2]" 1
392 1 31 GLU HB2 1 32 PRO HD3 . . 3.670 3.515 3.463 3.541 . 0 0 "[ . 1 . 2]" 1
393 1 31 GLU HB2 1 85 LEU QD . . 4.110 2.344 1.874 2.980 . 0 0 "[ . 1 . 2]" 1
394 1 31 GLU HB3 1 31 GLU HG2 . . 2.570 2.545 2.511 2.587 0.017 13 0 "[ . 1 . 2]" 1
395 1 31 GLU HB3 1 32 PRO HD2 . . 3.680 3.214 3.133 3.319 . 0 0 "[ . 1 . 2]" 1
396 1 31 GLU HB3 1 32 PRO HD3 . . 3.420 1.906 1.873 1.953 . 0 0 "[ . 1 . 2]" 1
397 1 31 GLU HB3 1 32 PRO HG2 . . 4.970 4.808 4.775 4.847 . 0 0 "[ . 1 . 2]" 1
398 1 31 GLU HB3 1 85 LEU QD . . 4.260 3.475 3.121 3.904 . 0 0 "[ . 1 . 2]" 1
399 1 31 GLU HG2 1 32 PRO HA . . 4.060 3.244 3.001 3.503 . 0 0 "[ . 1 . 2]" 1
400 1 31 GLU HG2 1 32 PRO HD3 . . 4.490 3.154 2.589 3.638 . 0 0 "[ . 1 . 2]" 1
401 1 31 GLU HG2 1 35 VAL MG2 . . 3.190 2.549 2.030 3.206 0.016 19 0 "[ . 1 . 2]" 1
402 1 31 GLU HG2 1 85 LEU QD . . 3.000 2.938 2.876 3.046 0.046 19 0 "[ . 1 . 2]" 1
403 1 31 GLU HG3 1 35 VAL MG2 . . 3.590 2.755 2.209 3.336 . 0 0 "[ . 1 . 2]" 1
404 1 31 GLU HG3 1 85 LEU QD . . 3.580 1.865 1.786 2.082 . 0 0 "[ . 1 . 2]" 1
405 1 32 PRO HA 1 34 VAL H . . 5.160 3.767 3.431 4.868 . 0 0 "[ . 1 . 2]" 1
406 1 32 PRO HA 1 35 VAL H . . 3.970 3.125 2.916 3.649 . 0 0 "[ . 1 . 2]" 1
407 1 32 PRO HA 1 35 VAL HB . . 2.980 2.374 2.069 2.565 . 0 0 "[ . 1 . 2]" 1
408 1 32 PRO HA 1 35 VAL MG1 . . 3.900 3.839 3.580 3.952 0.052 13 0 "[ . 1 . 2]" 1
409 1 32 PRO HA 1 35 VAL MG2 . . 3.310 3.048 2.492 3.350 0.040 12 0 "[ . 1 . 2]" 1
410 1 32 PRO HA 1 36 GLY H . . 4.350 3.409 3.163 3.940 . 0 0 "[ . 1 . 2]" 1
411 1 32 PRO HB2 1 33 GLN H . . 4.130 3.799 3.231 4.041 . 0 0 "[ . 1 . 2]" 1
412 1 32 PRO HB3 1 33 GLN H . . 4.610 4.491 4.181 4.618 0.008 16 0 "[ . 1 . 2]" 1
413 1 32 PRO HD2 1 33 GLN H . . 3.820 2.514 2.257 2.733 . 0 0 "[ . 1 . 2]" 1
414 1 32 PRO HD3 1 33 GLN H . . 4.290 3.749 3.655 3.840 . 0 0 "[ . 1 . 2]" 1
415 1 32 PRO HG3 1 33 GLN H . . 4.340 4.526 4.033 4.775 0.435 16 0 "[ . 1 . 2]" 1
416 1 33 GLN H 1 33 GLN HB2 . . 3.390 2.237 2.057 2.384 . 0 0 "[ . 1 . 2]" 1
417 1 33 GLN H 1 33 GLN HG2 . . 3.980 3.701 3.233 3.984 0.004 4 0 "[ . 1 . 2]" 1
418 1 33 GLN H 1 33 GLN HG3 . . 3.750 2.952 2.381 3.420 . 0 0 "[ . 1 . 2]" 1
419 1 33 GLN H 1 34 VAL QG . . 4.310 3.340 2.744 4.173 . 0 0 "[ . 1 . 2]" 1
420 1 33 GLN H 1 49 LEU QD . . 4.980 4.108 3.219 4.619 . 0 0 "[ . 1 . 2]" 1
421 1 33 GLN HA 1 33 GLN HG2 . . 3.300 2.206 2.062 2.669 . 0 0 "[ . 1 . 2]" 1
422 1 33 GLN HA 1 33 GLN HG3 . . 3.900 3.019 2.612 3.285 . 0 0 "[ . 1 . 2]" 1
423 1 33 GLN HB2 1 49 LEU QD . . 3.950 2.751 1.953 3.446 . 0 0 "[ . 1 . 2]" 1
424 1 33 GLN HB3 1 49 LEU QD . . 3.400 1.951 1.705 2.193 . 0 0 "[ . 1 . 2]" 1
425 1 33 GLN HE21 1 49 LEU QD . . 4.950 2.947 1.977 3.816 . 0 0 "[ . 1 . 2]" 1
426 1 33 GLN HE22 1 33 GLN HG3 . . 4.060 3.721 3.522 4.147 0.087 13 0 "[ . 1 . 2]" 1
427 1 33 GLN HE22 1 49 LEU QD . . 5.500 3.112 2.224 3.788 . 0 0 "[ . 1 . 2]" 1
428 1 34 VAL H 1 34 VAL HB . . 3.530 3.043 2.281 3.642 0.112 9 0 "[ . 1 . 2]" 1
429 1 34 VAL H 1 34 VAL QG . . 3.110 2.081 1.807 2.694 . 0 0 "[ . 1 . 2]" 1
430 1 34 VAL H 1 35 VAL H . . 3.320 2.151 1.826 2.636 . 0 0 "[ . 1 . 2]" 1
431 1 34 VAL H 1 35 VAL HA . . 5.170 4.771 4.413 5.183 0.013 18 0 "[ . 1 . 2]" 1
432 1 34 VAL H 1 35 VAL HB . . 4.730 4.220 3.699 4.761 0.031 6 0 "[ . 1 . 2]" 1
433 1 34 VAL H 1 35 VAL MG2 . . 4.290 3.604 3.309 4.010 . 0 0 "[ . 1 . 2]" 1
434 1 34 VAL H 1 36 GLY H . . 4.740 3.679 3.401 4.258 . 0 0 "[ . 1 . 2]" 1
435 1 34 VAL H 1 49 LEU QD . . 4.770 3.464 2.925 4.031 . 0 0 "[ . 1 . 2]" 1
436 1 34 VAL HA 1 34 VAL QG . . 3.040 2.389 2.076 2.589 . 0 0 "[ . 1 . 2]" 1
437 1 34 VAL HA 1 37 PHE H . . 4.520 3.470 3.330 3.604 . 0 0 "[ . 1 . 2]" 1
438 1 34 VAL HA 1 37 PHE HA . . 4.320 4.303 4.211 4.378 0.058 16 0 "[ . 1 . 2]" 1
439 1 34 VAL HA 1 37 PHE HB2 . . 4.180 1.988 1.918 2.034 . 0 0 "[ . 1 . 2]" 1
440 1 34 VAL HA 1 37 PHE QD . . 4.890 3.801 3.566 4.004 . 0 0 "[ . 1 . 2]" 1
441 1 34 VAL HA 1 49 LEU QD . . 3.750 2.380 1.902 2.769 . 0 0 "[ . 1 . 2]" 1
442 1 34 VAL HA 1 89 LEU QD . . 3.670 2.372 1.881 3.010 . 0 0 "[ . 1 . 2]" 1
443 1 34 VAL HB 1 85 LEU QD . . 3.860 3.189 1.851 3.896 0.036 10 0 "[ . 1 . 2]" 1
444 1 34 VAL QG 1 35 VAL H . . 3.360 2.462 1.913 3.192 . 0 0 "[ . 1 . 2]" 1
445 1 34 VAL QG 1 37 PHE H . . 4.500 4.133 3.979 4.317 . 0 0 "[ . 1 . 2]" 1
446 1 34 VAL QG 1 37 PHE HB2 . . 5.100 3.654 3.235 3.920 . 0 0 "[ . 1 . 2]" 1
447 1 34 VAL QG 1 37 PHE HB3 . . 5.010 3.691 3.200 4.212 . 0 0 "[ . 1 . 2]" 1
448 1 34 VAL QG 1 85 LEU HA . . 3.720 3.082 2.696 3.486 . 0 0 "[ . 1 . 2]" 1
449 1 34 VAL QG 1 85 LEU HB3 . . 4.090 2.314 1.945 2.939 . 0 0 "[ . 1 . 2]" 1
450 1 34 VAL QG 1 85 LEU QD . . 2.790 1.784 1.530 2.307 . 0 0 "[ . 1 . 2]" 1
451 1 34 VAL QG 1 85 LEU HG . . 4.790 3.498 2.602 4.110 . 0 0 "[ . 1 . 2]" 1
452 1 34 VAL QG 1 86 LEU H . . 4.760 4.289 4.141 4.441 . 0 0 "[ . 1 . 2]" 1
453 1 34 VAL QG 1 88 GLU H . . 4.430 3.853 3.556 4.109 . 0 0 "[ . 1 . 2]" 1
454 1 34 VAL QG 1 88 GLU HA . . 4.450 4.186 3.908 4.402 . 0 0 "[ . 1 . 2]" 1
455 1 34 VAL QG 1 88 GLU HB2 . . 3.060 2.411 1.939 2.943 . 0 0 "[ . 1 . 2]" 1
456 1 34 VAL QG 1 88 GLU HG3 . . 4.090 3.880 3.468 4.077 . 0 0 "[ . 1 . 2]" 1
457 1 34 VAL QG 1 89 LEU H . . 3.480 2.371 1.903 2.838 . 0 0 "[ . 1 . 2]" 1
458 1 34 VAL QG 1 89 LEU HA . . 3.200 2.197 1.825 2.879 . 0 0 "[ . 1 . 2]" 1
459 1 34 VAL QG 1 89 LEU HB2 . . 3.510 2.174 1.749 2.808 . 0 0 "[ . 1 . 2]" 1
460 1 34 VAL QG 1 89 LEU HB3 . . 4.150 3.452 2.968 4.046 . 0 0 "[ . 1 . 2]" 1
461 1 34 VAL QG 1 89 LEU QD . . 3.090 2.139 1.693 2.659 . 0 0 "[ . 1 . 2]" 1
462 1 34 VAL QG 1 90 GLU H . . 5.490 4.442 4.155 4.925 . 0 0 "[ . 1 . 2]" 1
463 1 34 VAL QG 1 92 ASN H . . 5.220 4.376 3.992 4.869 . 0 0 "[ . 1 . 2]" 1
464 1 34 VAL QG 1 92 ASN HD21 . . 4.290 2.817 2.032 3.640 . 0 0 "[ . 1 . 2]" 1
465 1 34 VAL QG 1 92 ASN HD22 . . 4.380 3.623 2.553 4.286 . 0 0 "[ . 1 . 2]" 1
466 1 35 VAL H 1 35 VAL HB . . 3.340 2.397 2.297 2.465 . 0 0 "[ . 1 . 2]" 1
467 1 35 VAL H 1 35 VAL MG2 . . 2.990 2.054 1.908 2.359 . 0 0 "[ . 1 . 2]" 1
468 1 35 VAL H 1 36 GLY H . . 3.480 2.684 2.536 3.277 . 0 0 "[ . 1 . 2]" 1
469 1 35 VAL H 1 37 PHE H . . 4.720 4.046 3.807 4.419 . 0 0 "[ . 1 . 2]" 1
470 1 35 VAL H 1 85 LEU QD . . 4.250 3.257 3.015 3.521 . 0 0 "[ . 1 . 2]" 1
471 1 35 VAL HA 1 35 VAL MG1 . . 2.990 2.410 2.294 2.509 . 0 0 "[ . 1 . 2]" 1
472 1 35 VAL HA 1 35 VAL MG2 . . 2.830 2.389 2.219 2.461 . 0 0 "[ . 1 . 2]" 1
473 1 35 VAL HA 1 92 ASN HD21 . . 3.540 3.089 2.660 3.552 0.012 11 0 "[ . 1 . 2]" 1
474 1 35 VAL HA 1 92 ASN HD22 . . 3.430 2.284 1.935 2.888 . 0 0 "[ . 1 . 2]" 1
475 1 35 VAL HB 1 36 GLY H . . 3.770 2.676 2.257 2.873 . 0 0 "[ . 1 . 2]" 1
476 1 35 VAL HB 1 37 PHE H . . 4.900 4.887 4.761 4.932 0.032 20 0 "[ . 1 . 2]" 1
477 1 35 VAL MG1 1 36 GLY H . . 4.090 3.500 2.543 3.751 . 0 0 "[ . 1 . 2]" 1
478 1 35 VAL MG1 1 36 GLY HA2 . . 4.350 3.752 3.507 3.928 . 0 0 "[ . 1 . 2]" 1
479 1 35 VAL MG2 1 36 GLY H . . 3.840 3.891 3.847 3.931 0.091 17 0 "[ . 1 . 2]" 1
480 1 36 GLY H 1 37 PHE H . . 3.400 2.782 2.546 3.141 . 0 0 "[ . 1 . 2]" 1
481 1 36 GLY H 1 37 PHE HA . . 4.550 4.585 4.505 4.640 0.090 7 0 "[ . 1 . 2]" 1
482 1 37 PHE H 1 37 PHE HB2 . . 3.390 2.597 2.283 2.797 . 0 0 "[ . 1 . 2]" 1
483 1 37 PHE H 1 37 PHE HB3 . . 3.310 2.197 2.082 2.423 . 0 0 "[ . 1 . 2]" 1
484 1 37 PHE H 1 37 PHE QD . . 3.980 4.032 3.936 4.085 0.105 2 0 "[ . 1 . 2]" 1
485 1 37 PHE H 1 38 SER H . . 5.390 4.618 4.561 4.650 . 0 0 "[ . 1 . 2]" 1
486 1 37 PHE H 1 49 LEU QD . . 4.980 4.578 4.217 4.873 . 0 0 "[ . 1 . 2]" 1
487 1 37 PHE HA 1 37 PHE QD . . 3.580 2.511 2.107 2.977 . 0 0 "[ . 1 . 2]" 1
488 1 37 PHE HA 1 38 SER H . . 3.360 2.433 2.215 2.584 . 0 0 "[ . 1 . 2]" 1
489 1 37 PHE HA 1 38 SER HA . . 4.620 4.482 4.356 4.603 . 0 0 "[ . 1 . 2]" 1
490 1 37 PHE HB2 1 38 SER H . . 5.320 3.882 3.713 4.261 . 0 0 "[ . 1 . 2]" 1
491 1 37 PHE HB2 1 49 LEU QD . . 4.770 2.679 2.308 3.245 . 0 0 "[ . 1 . 2]" 1
492 1 37 PHE HB2 1 89 LEU QD . . 4.120 2.961 2.381 3.886 . 0 0 "[ . 1 . 2]" 1
493 1 37 PHE HB2 1 92 ASN HB3 . . 4.260 4.067 3.459 4.762 0.502 16 1 "[ . 1 .+ 2]" 1
494 1 37 PHE HB3 1 49 LEU QD . . 4.780 3.812 3.411 4.550 . 0 0 "[ . 1 . 2]" 1
495 1 37 PHE HB3 1 89 LEU QD . . 4.090 3.056 2.443 3.785 . 0 0 "[ . 1 . 2]" 1
496 1 37 PHE QD 1 38 SER H . . 4.910 2.463 1.988 3.641 . 0 0 "[ . 1 . 2]" 1
497 1 37 PHE QD 1 38 SER HA . . 4.280 3.958 3.394 4.275 . 0 0 "[ . 1 . 2]" 1
498 1 37 PHE QD 1 46 TYR QD . . 4.260 4.011 3.788 4.275 0.015 20 0 "[ . 1 . 2]" 1
499 1 37 PHE QD 1 49 LEU QD . . 3.620 2.535 1.953 3.392 . 0 0 "[ . 1 . 2]" 1
500 1 37 PHE QD 1 89 LEU QD . . 3.890 2.477 1.937 3.289 . 0 0 "[ . 1 . 2]" 1
501 1 37 PHE QD 1 92 ASN HB2 . . 4.650 3.199 2.508 3.932 . 0 0 "[ . 1 . 2]" 1
502 1 37 PHE QD 1 92 ASN HB3 . . 4.810 2.595 2.128 3.272 . 0 0 "[ . 1 . 2]" 1
503 1 37 PHE QD 1 93 ALA HA . . 4.990 2.545 2.018 3.363 . 0 0 "[ . 1 . 2]" 1
504 1 37 PHE QD 1 93 ALA MB . . 4.870 3.431 3.123 3.734 . 0 0 "[ . 1 . 2]" 1
505 1 37 PHE QE 1 45 ASN HB2 . . 4.000 3.502 2.104 4.072 0.072 17 0 "[ . 1 . 2]" 1
506 1 37 PHE QE 1 45 ASN HB3 . . 4.090 2.381 1.994 3.390 . 0 0 "[ . 1 . 2]" 1
507 1 37 PHE QE 1 46 TYR HA . . 4.530 3.351 2.565 3.832 . 0 0 "[ . 1 . 2]" 1
508 1 37 PHE QE 1 46 TYR QD . . 4.150 2.322 1.992 2.858 . 0 0 "[ . 1 . 2]" 1
509 1 37 PHE QE 1 89 LEU QD . . 4.520 3.068 2.664 3.604 . 0 0 "[ . 1 . 2]" 1
510 1 37 PHE QE 1 93 ALA HA . . 4.740 2.004 1.992 2.044 . 0 0 "[ . 1 . 2]" 1
511 1 37 PHE QE 1 93 ALA MB . . 3.490 2.187 1.950 2.648 . 0 0 "[ . 1 . 2]" 1
512 1 37 PHE QE 1 94 SER H . . 5.350 5.075 4.728 5.340 . 0 0 "[ . 1 . 2]" 1
513 1 37 PHE HZ 1 39 GLY HA2 . . 4.650 4.425 3.747 5.080 0.430 13 0 "[ . 1 . 2]" 1
514 1 37 PHE HZ 1 39 GLY HA3 . . 5.100 2.811 1.996 3.532 . 0 0 "[ . 1 . 2]" 1
515 1 37 PHE HZ 1 40 LEU H . . 4.840 4.039 2.603 4.860 0.020 8 0 "[ . 1 . 2]" 1
516 1 37 PHE HZ 1 46 TYR HA . . 5.370 3.287 2.620 3.851 . 0 0 "[ . 1 . 2]" 1
517 1 37 PHE HZ 1 46 TYR HB2 . . 4.280 2.111 1.983 2.602 . 0 0 "[ . 1 . 2]" 1
518 1 37 PHE HZ 1 46 TYR HB3 . . 4.500 3.711 2.898 4.171 . 0 0 "[ . 1 . 2]" 1
519 1 37 PHE HZ 1 46 TYR QD . . 4.440 2.968 2.107 4.038 . 0 0 "[ . 1 . 2]" 1
520 1 38 SER H 1 39 GLY H . . 4.700 3.654 3.018 4.096 . 0 0 "[ . 1 . 2]" 1
521 1 38 SER HA 1 39 GLY H . . 3.500 2.270 2.216 2.400 . 0 0 "[ . 1 . 2]" 1
522 1 38 SER HA 1 92 ASN HB3 . . 4.870 4.625 3.514 4.885 0.015 11 0 "[ . 1 . 2]" 1
523 1 39 GLY H 1 94 SER H . . 5.480 5.468 5.315 5.504 0.024 11 0 "[ . 1 . 2]" 1
524 1 39 GLY H 1 94 SER QB . . 4.330 4.098 3.657 4.243 . 0 0 "[ . 1 . 2]" 1
525 1 39 GLY HA3 1 40 LEU H . . 3.550 2.741 2.203 3.619 0.069 5 0 "[ . 1 . 2]" 1
526 1 40 LEU H 1 40 LEU HB2 . . 3.390 2.300 1.997 3.037 . 0 0 "[ . 1 . 2]" 1
527 1 40 LEU H 1 40 LEU QD . . 4.460 3.248 2.018 3.835 . 0 0 "[ . 1 . 2]" 1
528 1 40 LEU H 1 40 LEU HG . . 3.780 3.545 2.703 3.802 0.022 1 0 "[ . 1 . 2]" 1
529 1 40 LEU H 1 41 SER H . . 4.950 4.545 4.360 4.667 . 0 0 "[ . 1 . 2]" 1
530 1 40 LEU H 1 43 ASP HB2 . . 4.790 3.603 2.518 4.793 0.003 5 0 "[ . 1 . 2]" 1
531 1 40 LEU HA 1 40 LEU QD . . 2.930 2.148 1.908 2.526 . 0 0 "[ . 1 . 2]" 1
532 1 40 LEU HA 1 40 LEU HG . . 4.080 2.792 2.251 3.705 . 0 0 "[ . 1 . 2]" 1
533 1 40 LEU HA 1 41 SER H . . 3.290 2.501 2.217 2.727 . 0 0 "[ . 1 . 2]" 1
534 1 40 LEU HA 1 93 ALA MB . . 3.940 2.935 2.583 3.269 . 0 0 "[ . 1 . 2]" 1
535 1 40 LEU HA 1 94 SER H . . 4.280 4.195 3.997 4.287 0.007 13 0 "[ . 1 . 2]" 1
536 1 40 LEU HA 1 94 SER QB . . 4.500 2.493 2.087 3.017 . 0 0 "[ . 1 . 2]" 1
537 1 40 LEU HB2 1 41 SER H . . 4.500 3.928 3.505 4.419 . 0 0 "[ . 1 . 2]" 1
538 1 40 LEU HB2 1 43 ASP HB2 . . 4.550 3.458 2.522 4.472 . 0 0 "[ . 1 . 2]" 1
539 1 40 LEU HB3 1 40 LEU QD . . 2.920 2.139 2.051 2.247 . 0 0 "[ . 1 . 2]" 1
540 1 40 LEU HB3 1 41 SER H . . 3.600 2.577 2.010 3.351 . 0 0 "[ . 1 . 2]" 1
541 1 40 LEU HB3 1 43 ASP HB2 . . 4.760 4.065 2.601 5.637 0.877 1 1 "[+ . 1 . 2]" 1
542 1 40 LEU QD 1 41 SER H . . 4.110 2.502 1.974 2.997 . 0 0 "[ . 1 . 2]" 1
543 1 40 LEU QD 1 94 SER H . . 4.750 4.267 3.787 4.557 . 0 0 "[ . 1 . 2]" 1
544 1 40 LEU QD 1 94 SER HA . . 4.930 4.485 3.679 4.847 . 0 0 "[ . 1 . 2]" 1
545 1 40 LEU QD 1 94 SER QB . . 3.770 2.140 1.606 2.933 . 0 0 "[ . 1 . 2]" 1
546 1 40 LEU QD 1 95 GLY H . . 4.890 3.324 2.740 3.791 . 0 0 "[ . 1 . 2]" 1
547 1 40 LEU QD 1 95 GLY HA2 . . 5.000 4.647 3.792 4.937 . 0 0 "[ . 1 . 2]" 1
548 1 41 SER H 1 41 SER HB2 . . 3.620 3.361 2.117 3.659 0.039 5 0 "[ . 1 . 2]" 1
549 1 41 SER H 1 41 SER HB3 . . 4.000 2.669 2.153 3.537 . 0 0 "[ . 1 . 2]" 1
550 1 41 SER H 1 42 ASP H . . 4.390 3.825 2.562 4.531 0.141 19 0 "[ . 1 . 2]" 1
551 1 41 SER H 1 46 TYR QD . . 5.480 5.014 4.051 5.444 . 0 0 "[ . 1 . 2]" 1
552 1 41 SER H 1 93 ALA MB . . 3.820 3.003 2.133 3.546 . 0 0 "[ . 1 . 2]" 1
553 1 41 SER H 1 94 SER H . . 5.130 4.721 3.684 5.142 0.012 3 0 "[ . 1 . 2]" 1
554 1 41 SER H 1 95 GLY H . . 5.500 4.019 3.082 4.649 . 0 0 "[ . 1 . 2]" 1
555 1 41 SER HA 1 46 TYR QD . . 4.040 2.934 2.287 3.440 . 0 0 "[ . 1 . 2]" 1
556 1 41 SER HA 1 46 TYR QE . . 4.600 3.141 2.361 3.845 . 0 0 "[ . 1 . 2]" 1
557 1 41 SER HA 1 93 ALA MB . . 3.700 2.672 1.915 3.146 . 0 0 "[ . 1 . 2]" 1
558 1 41 SER HB2 1 46 TYR QE . . 4.480 3.780 2.830 4.498 0.018 7 0 "[ . 1 . 2]" 1
559 1 41 SER HB2 1 93 ALA MB . . 3.770 3.830 3.162 4.089 0.319 11 0 "[ . 1 . 2]" 1
560 1 41 SER HB3 1 46 TYR QE . . 4.350 4.077 3.008 4.490 0.140 10 0 "[ . 1 . 2]" 1
561 1 41 SER HB3 1 93 ALA MB . . 4.070 3.109 2.511 4.076 0.006 7 0 "[ . 1 . 2]" 1
562 1 42 ASP H 1 43 ASP H . . 4.410 2.799 1.919 3.438 . 0 0 "[ . 1 . 2]" 1
563 1 42 ASP H 1 46 TYR QD . . 4.980 3.246 2.232 4.789 . 0 0 "[ . 1 . 2]" 1
564 1 42 ASP HA 1 46 TYR QD . . 3.960 2.839 1.993 3.833 . 0 0 "[ . 1 . 2]" 1
565 1 42 ASP HA 1 47 LYS HD3 . . 4.090 2.664 1.990 3.847 . 0 0 "[ . 1 . 2]" 1
566 1 42 ASP HA 1 47 LYS QE . . 3.990 3.391 1.986 3.848 . 0 0 "[ . 1 . 2]" 1
567 1 42 ASP QB 1 47 LYS QE . . 4.840 3.304 2.302 4.362 . 0 0 "[ . 1 . 2]" 1
568 1 43 ASP H 1 43 ASP HB2 . . 3.900 2.862 2.406 3.561 . 0 0 "[ . 1 . 2]" 1
569 1 43 ASP H 1 43 ASP HB3 . . 3.960 3.255 2.701 3.921 . 0 0 "[ . 1 . 2]" 1
570 1 43 ASP H 1 46 TYR HA . . 4.830 4.841 4.721 4.906 0.076 9 0 "[ . 1 . 2]" 1
571 1 43 ASP H 1 46 TYR HB2 . . 4.770 3.054 2.524 3.637 . 0 0 "[ . 1 . 2]" 1
572 1 43 ASP H 1 46 TYR HB3 . . 4.000 2.014 1.914 2.381 . 0 0 "[ . 1 . 2]" 1
573 1 43 ASP H 1 46 TYR QD . . 5.120 3.619 2.900 4.225 . 0 0 "[ . 1 . 2]" 1
574 1 43 ASP H 1 47 LYS HD3 . . 4.510 3.971 2.377 5.019 0.509 10 1 "[ . + . 2]" 1
575 1 43 ASP HB2 1 44 LYS H . . 4.240 3.802 3.058 4.259 0.019 17 0 "[ . 1 . 2]" 1
576 1 43 ASP HB3 1 44 LYS H . . 4.200 2.842 2.015 4.193 . 0 0 "[ . 1 . 2]" 1
577 1 45 ASN H 1 46 TYR HA . . 4.590 4.433 3.931 4.639 0.049 1 0 "[ . 1 . 2]" 1
578 1 45 ASN H 1 46 TYR HB2 . . 4.650 4.225 3.319 4.648 . 0 0 "[ . 1 . 2]" 1
579 1 45 ASN H 1 46 TYR HB3 . . 4.650 3.755 3.404 4.417 . 0 0 "[ . 1 . 2]" 1
580 1 45 ASN H 1 47 LYS H . . 4.640 3.095 2.227 4.537 . 0 0 "[ . 1 . 2]" 1
581 1 45 ASN HA 1 48 ARG H . . 4.620 3.690 3.435 4.087 . 0 0 "[ . 1 . 2]" 1
582 1 45 ASN HA 1 48 ARG HB2 . . 4.690 3.537 2.918 4.708 0.018 13 0 "[ . 1 . 2]" 1
583 1 45 ASN HA 1 48 ARG HB3 . . 4.310 4.056 3.364 4.660 0.350 3 0 "[ . 1 . 2]" 1
584 1 45 ASN HB3 1 46 TYR H . . 4.290 2.975 2.113 4.293 0.003 6 0 "[ . 1 . 2]" 1
585 1 46 TYR H 1 46 TYR QD . . 4.960 4.057 3.987 4.108 . 0 0 "[ . 1 . 2]" 1
586 1 46 TYR H 1 47 LYS H . . 4.110 2.795 2.237 3.086 . 0 0 "[ . 1 . 2]" 1
587 1 46 TYR HA 1 46 TYR QD . . 3.560 3.132 2.916 3.297 . 0 0 "[ . 1 . 2]" 1
588 1 46 TYR HA 1 49 LEU H . . 4.200 3.630 3.261 4.110 . 0 0 "[ . 1 . 2]" 1
589 1 46 TYR HA 1 49 LEU HB3 . . 4.690 4.337 3.454 4.682 . 0 0 "[ . 1 . 2]" 1
590 1 46 TYR HA 1 49 LEU QD . . 4.160 3.006 2.448 3.505 . 0 0 "[ . 1 . 2]" 1
591 1 46 TYR HA 1 89 LEU QD . . 3.860 2.863 2.338 3.409 . 0 0 "[ . 1 . 2]" 1
592 1 46 TYR HB2 1 47 LYS H . . 4.350 3.842 3.508 4.303 . 0 0 "[ . 1 . 2]" 1
593 1 46 TYR HB3 1 47 LYS H . . 4.010 2.483 2.114 3.236 . 0 0 "[ . 1 . 2]" 1
594 1 46 TYR QD 1 47 LYS H . . 4.480 3.139 2.790 3.734 . 0 0 "[ . 1 . 2]" 1
595 1 46 TYR QD 1 47 LYS HA . . 3.600 2.777 2.368 3.277 . 0 0 "[ . 1 . 2]" 1
596 1 46 TYR QD 1 47 LYS HB2 . . 5.120 4.768 4.150 5.351 0.231 17 0 "[ . 1 . 2]" 1
597 1 46 TYR QD 1 47 LYS HD2 . . 4.950 3.471 1.996 4.546 . 0 0 "[ . 1 . 2]" 1
598 1 46 TYR QD 1 47 LYS HD3 . . 4.180 2.930 1.999 4.658 0.478 13 0 "[ . 1 . 2]" 1
599 1 46 TYR QD 1 47 LYS HG3 . . 4.570 4.560 3.134 5.530 0.960 2 1 "[ + . 1 . 2]" 1
600 1 46 TYR QD 1 49 LEU HB2 . . 5.200 4.594 3.955 4.947 . 0 0 "[ . 1 . 2]" 1
601 1 46 TYR QD 1 89 LEU QD . . 3.550 2.797 2.446 3.217 . 0 0 "[ . 1 . 2]" 1
602 1 46 TYR QD 1 89 LEU HG . . 4.260 2.846 2.274 3.421 . 0 0 "[ . 1 . 2]" 1
603 1 46 TYR QD 1 90 GLU HA . . 4.690 4.389 3.892 4.698 0.008 12 0 "[ . 1 . 2]" 1
604 1 46 TYR QD 1 93 ALA MB . . 3.230 2.627 2.025 3.023 . 0 0 "[ . 1 . 2]" 1
605 1 46 TYR QE 1 50 GLU HB3 . . 4.150 3.719 3.142 4.141 . 0 0 "[ . 1 . 2]" 1
606 1 46 TYR QE 1 89 LEU HB2 . . 4.700 4.730 4.501 5.225 0.525 1 1 "[+ . 1 . 2]" 1
607 1 46 TYR QE 1 89 LEU QD . . 3.930 2.985 2.391 3.467 . 0 0 "[ . 1 . 2]" 1
608 1 46 TYR QE 1 89 LEU HG . . 3.360 2.364 1.992 2.751 . 0 0 "[ . 1 . 2]" 1
609 1 46 TYR QE 1 90 GLU H . . 4.950 3.555 2.839 3.943 . 0 0 "[ . 1 . 2]" 1
610 1 46 TYR QE 1 90 GLU HA . . 3.270 2.262 1.986 2.502 . 0 0 "[ . 1 . 2]" 1
611 1 46 TYR QE 1 90 GLU HG3 . . 4.820 4.108 3.008 5.224 0.404 13 0 "[ . 1 . 2]" 1
612 1 46 TYR QE 1 93 ALA H . . 4.890 4.275 3.355 4.894 0.004 16 0 "[ . 1 . 2]" 1
613 1 46 TYR QE 1 93 ALA MB . . 3.010 2.641 1.948 3.024 0.014 13 0 "[ . 1 . 2]" 1
614 1 47 LYS H 1 47 LYS HB2 . . 3.760 2.373 2.060 2.641 . 0 0 "[ . 1 . 2]" 1
615 1 47 LYS H 1 47 LYS HD3 . . 3.900 3.361 2.004 4.069 0.169 9 0 "[ . 1 . 2]" 1
616 1 47 LYS H 1 47 LYS HG2 . . 4.140 2.681 1.947 4.129 . 0 0 "[ . 1 . 2]" 1
617 1 47 LYS H 1 47 LYS HG3 . . 4.040 3.583 3.297 4.039 . 0 0 "[ . 1 . 2]" 1
618 1 47 LYS H 1 48 ARG H . . 3.890 2.966 2.574 3.194 . 0 0 "[ . 1 . 2]" 1
619 1 47 LYS HA 1 47 LYS HD2 . . 4.060 2.470 2.007 4.062 0.002 12 0 "[ . 1 . 2]" 1
620 1 47 LYS HA 1 47 LYS HD3 . . 3.400 2.902 2.097 3.955 0.555 13 1 "[ . 1 + . 2]" 1
621 1 47 LYS HA 1 47 LYS QE . . 4.620 3.755 2.505 4.355 . 0 0 "[ . 1 . 2]" 1
622 1 47 LYS HA 1 47 LYS HG2 . . 3.860 3.130 2.784 3.502 . 0 0 "[ . 1 . 2]" 1
623 1 47 LYS HA 1 47 LYS HG3 . . 3.720 3.240 2.047 3.787 0.067 9 0 "[ . 1 . 2]" 1
624 1 47 LYS HA 1 50 GLU H . . 3.960 3.827 3.552 3.981 0.021 11 0 "[ . 1 . 2]" 1
625 1 47 LYS HA 1 50 GLU HB2 . . 4.140 4.037 3.776 4.154 0.014 14 0 "[ . 1 . 2]" 1
626 1 47 LYS HA 1 50 GLU HB3 . . 3.350 2.744 2.376 3.326 . 0 0 "[ . 1 . 2]" 1
627 1 47 LYS HB2 1 48 ARG H . . 4.130 2.575 2.236 2.851 . 0 0 "[ . 1 . 2]" 1
628 1 47 LYS HB3 1 47 LYS QE . . 4.370 3.420 2.117 4.238 . 0 0 "[ . 1 . 2]" 1
629 1 48 ARG H 1 48 ARG HB2 . . 3.530 2.172 2.059 2.396 . 0 0 "[ . 1 . 2]" 1
630 1 48 ARG H 1 48 ARG HB3 . . 3.610 2.908 2.640 3.333 . 0 0 "[ . 1 . 2]" 1
631 1 48 ARG H 1 48 ARG HG3 . . 4.950 4.153 3.401 4.452 . 0 0 "[ . 1 . 2]" 1
632 1 48 ARG H 1 49 LEU H . . 3.750 3.073 2.833 3.366 . 0 0 "[ . 1 . 2]" 1
633 1 48 ARG H 1 50 GLU H . . 4.800 4.613 4.309 4.810 0.010 8 0 "[ . 1 . 2]" 1
634 1 48 ARG HA 1 48 ARG HG3 . . 4.040 2.384 2.122 2.786 . 0 0 "[ . 1 . 2]" 1
635 1 48 ARG HA 1 52 ILE MD . . 4.210 3.788 2.996 4.097 . 0 0 "[ . 1 . 2]" 1
636 1 48 ARG HB2 1 48 ARG HD3 . . 4.080 2.923 2.059 3.621 . 0 0 "[ . 1 . 2]" 1
637 1 48 ARG HB2 1 49 LEU H . . 4.270 3.365 2.771 3.637 . 0 0 "[ . 1 . 2]" 1
638 1 48 ARG HB2 1 52 ILE MD . . 4.530 4.309 3.604 4.553 0.023 19 0 "[ . 1 . 2]" 1
639 1 48 ARG HB3 1 49 LEU H . . 3.870 2.167 1.936 2.492 . 0 0 "[ . 1 . 2]" 1
640 1 48 ARG HB3 1 49 LEU QD . . 3.570 3.020 2.364 3.473 . 0 0 "[ . 1 . 2]" 1
641 1 48 ARG HD2 1 52 ILE MD . . 4.830 4.492 4.044 4.836 0.006 18 0 "[ . 1 . 2]" 1
642 1 48 ARG HD3 1 52 ILE MD . . 4.700 4.311 3.395 4.838 0.138 5 0 "[ . 1 . 2]" 1
643 1 48 ARG HG2 1 52 ILE MD . . 3.870 2.542 1.978 3.403 . 0 0 "[ . 1 . 2]" 1
644 1 48 ARG HG3 1 49 LEU H . . 4.860 4.360 3.334 4.955 0.095 20 0 "[ . 1 . 2]" 1
645 1 48 ARG HG3 1 52 ILE MD . . 3.590 3.000 1.955 3.818 0.228 10 0 "[ . 1 . 2]" 1
646 1 49 LEU H 1 49 LEU HB2 . . 4.150 2.383 2.201 2.574 . 0 0 "[ . 1 . 2]" 1
647 1 49 LEU H 1 49 LEU HB3 . . 3.620 3.521 3.478 3.547 . 0 0 "[ . 1 . 2]" 1
648 1 49 LEU H 1 49 LEU QD . . 3.740 2.601 1.889 3.014 . 0 0 "[ . 1 . 2]" 1
649 1 49 LEU H 1 49 LEU HG . . 3.400 2.628 2.015 3.544 0.144 13 0 "[ . 1 . 2]" 1
650 1 49 LEU H 1 50 GLU H . . 3.730 3.079 2.911 3.220 . 0 0 "[ . 1 . 2]" 1
651 1 49 LEU H 1 51 ARG H . . 5.450 4.359 3.972 4.865 . 0 0 "[ . 1 . 2]" 1
652 1 49 LEU H 1 52 ILE MD . . 5.160 3.381 3.059 3.815 . 0 0 "[ . 1 . 2]" 1
653 1 49 LEU HA 1 49 LEU QD . . 2.990 2.241 1.875 2.871 . 0 0 "[ . 1 . 2]" 1
654 1 49 LEU HA 1 49 LEU HG . . 3.930 2.899 2.174 3.319 . 0 0 "[ . 1 . 2]" 1
655 1 49 LEU HA 1 50 GLU HA . . 4.780 4.778 4.687 4.835 0.055 12 0 "[ . 1 . 2]" 1
656 1 49 LEU HA 1 51 ARG H . . 5.380 4.696 4.176 5.178 . 0 0 "[ . 1 . 2]" 1
657 1 49 LEU HA 1 52 ILE H . . 4.270 3.573 3.173 3.852 . 0 0 "[ . 1 . 2]" 1
658 1 49 LEU HA 1 52 ILE HB . . 3.300 2.913 2.429 3.299 . 0 0 "[ . 1 . 2]" 1
659 1 49 LEU HA 1 52 ILE MD . . 3.340 1.937 1.786 2.161 . 0 0 "[ . 1 . 2]" 1
660 1 49 LEU HA 1 53 LEU H . . 4.900 4.308 3.762 4.851 . 0 0 "[ . 1 . 2]" 1
661 1 49 LEU HB2 1 50 GLU H . . 4.420 2.412 2.230 2.642 . 0 0 "[ . 1 . 2]" 1
662 1 49 LEU HB2 1 89 LEU QD . . 3.370 2.088 1.845 2.615 . 0 0 "[ . 1 . 2]" 1
663 1 49 LEU HB3 1 50 GLU H . . 4.160 3.170 2.790 3.513 . 0 0 "[ . 1 . 2]" 1
664 1 49 LEU HB3 1 89 LEU QD . . 3.930 1.998 1.739 2.526 . 0 0 "[ . 1 . 2]" 1
665 1 49 LEU QD 1 50 GLU H . . 5.060 3.940 3.773 4.096 . 0 0 "[ . 1 . 2]" 1
666 1 49 LEU QD 1 89 LEU QD . . 3.360 1.840 1.654 2.053 . 0 0 "[ . 1 . 2]" 1
667 1 50 GLU H 1 50 GLU HB2 . . 3.640 2.554 2.391 2.782 . 0 0 "[ . 1 . 2]" 1
668 1 50 GLU H 1 50 GLU HB3 . . 3.560 2.414 2.210 2.596 . 0 0 "[ . 1 . 2]" 1
669 1 50 GLU H 1 50 GLU HG3 . . 4.460 4.384 4.341 4.432 . 0 0 "[ . 1 . 2]" 1
670 1 50 GLU H 1 51 ARG H . . 3.700 2.935 2.689 3.192 . 0 0 "[ . 1 . 2]" 1
671 1 50 GLU H 1 52 ILE H . . 5.480 4.347 4.047 4.699 . 0 0 "[ . 1 . 2]" 1
672 1 50 GLU H 1 53 LEU H . . 5.300 4.979 4.609 5.300 . 0 0 "[ . 1 . 2]" 1
673 1 50 GLU H 1 53 LEU QD . . 4.950 4.515 3.955 4.837 . 0 0 "[ . 1 . 2]" 1
674 1 50 GLU H 1 89 LEU QD . . 4.060 2.365 2.118 2.845 . 0 0 "[ . 1 . 2]" 1
675 1 50 GLU HA 1 50 GLU HG2 . . 3.760 3.558 3.378 3.683 . 0 0 "[ . 1 . 2]" 1
676 1 50 GLU HA 1 50 GLU HG3 . . 3.780 2.543 2.385 2.777 . 0 0 "[ . 1 . 2]" 1
677 1 50 GLU HA 1 53 LEU H . . 4.500 3.561 3.306 3.860 . 0 0 "[ . 1 . 2]" 1
678 1 50 GLU HA 1 53 LEU HB2 . . 4.230 2.839 2.468 3.101 . 0 0 "[ . 1 . 2]" 1
679 1 50 GLU HA 1 53 LEU HB3 . . 4.720 4.467 4.030 4.754 0.034 14 0 "[ . 1 . 2]" 1
680 1 50 GLU HA 1 53 LEU QD . . 3.910 2.914 2.450 3.152 . 0 0 "[ . 1 . 2]" 1
681 1 50 GLU HA 1 53 LEU HG . . 4.660 4.326 3.684 4.678 0.018 16 0 "[ . 1 . 2]" 1
682 1 50 GLU HA 1 54 THR H . . 4.980 3.737 3.481 4.080 . 0 0 "[ . 1 . 2]" 1
683 1 50 GLU HA 1 86 LEU MD1 . . 4.180 4.123 3.945 4.219 0.039 19 0 "[ . 1 . 2]" 1
684 1 50 GLU HA 1 86 LEU MD2 . . 3.580 2.542 2.000 3.007 . 0 0 "[ . 1 . 2]" 1
685 1 50 GLU HA 1 89 LEU QD . . 3.650 2.590 1.946 3.377 . 0 0 "[ . 1 . 2]" 1
686 1 50 GLU HB2 1 51 ARG H . . 4.250 3.914 3.687 4.163 . 0 0 "[ . 1 . 2]" 1
687 1 50 GLU HB2 1 89 LEU QD . . 3.780 2.465 1.943 2.873 . 0 0 "[ . 1 . 2]" 1
688 1 50 GLU HB3 1 89 LEU QD . . 4.540 3.544 3.039 4.056 . 0 0 "[ . 1 . 2]" 1
689 1 50 GLU HG2 1 51 ARG HA . . 4.460 3.482 3.077 4.020 . 0 0 "[ . 1 . 2]" 1
690 1 50 GLU HG2 1 54 THR MG . . 4.360 3.844 3.432 4.208 . 0 0 "[ . 1 . 2]" 1
691 1 50 GLU HG2 1 86 LEU MD2 . . 4.190 3.606 3.135 4.194 0.004 3 0 "[ . 1 . 2]" 1
692 1 50 GLU HG3 1 51 ARG H . . 4.560 4.117 3.706 4.472 . 0 0 "[ . 1 . 2]" 1
693 1 50 GLU HG3 1 54 THR HB . . 4.550 2.956 2.626 3.280 . 0 0 "[ . 1 . 2]" 1
694 1 50 GLU HG3 1 54 THR MG . . 4.460 4.280 4.073 4.444 . 0 0 "[ . 1 . 2]" 1
695 1 50 GLU HG3 1 86 LEU MD1 . . 3.880 3.412 2.879 3.885 0.005 8 0 "[ . 1 . 2]" 1
696 1 50 GLU HG3 1 86 LEU MD2 . . 3.340 2.150 1.818 2.704 . 0 0 "[ . 1 . 2]" 1
697 1 51 ARG H 1 51 ARG HB2 . . 3.050 2.173 2.030 2.482 . 0 0 "[ . 1 . 2]" 1
698 1 51 ARG H 1 51 ARG HD3 . . 4.920 4.116 3.582 4.850 . 0 0 "[ . 1 . 2]" 1
699 1 51 ARG H 1 51 ARG HG2 . . 4.130 3.536 2.152 4.541 0.411 2 0 "[ . 1 . 2]" 1
700 1 51 ARG H 1 51 ARG HG3 . . 4.440 3.581 2.767 4.157 . 0 0 "[ . 1 . 2]" 1
701 1 51 ARG H 1 52 ILE H . . 3.570 2.898 2.534 3.008 . 0 0 "[ . 1 . 2]" 1
702 1 51 ARG H 1 52 ILE HA . . 5.440 5.388 5.092 5.473 0.033 9 0 "[ . 1 . 2]" 1
703 1 51 ARG H 1 52 ILE MD . . 5.500 4.703 4.061 5.150 . 0 0 "[ . 1 . 2]" 1
704 1 51 ARG H 1 54 THR MG . . 4.420 4.378 4.062 4.512 0.092 19 0 "[ . 1 . 2]" 1
705 1 51 ARG HA 1 51 ARG HD3 . . 3.670 3.334 2.081 4.270 0.600 8 8 "[* -. *+ * * **2]" 1
706 1 51 ARG HA 1 51 ARG HG2 . . 3.810 2.854 2.159 3.508 . 0 0 "[ . 1 . 2]" 1
707 1 51 ARG HA 1 51 ARG HG3 . . 3.920 2.820 1.979 3.715 . 0 0 "[ . 1 . 2]" 1
708 1 51 ARG HA 1 54 THR H . . 4.290 3.657 3.165 4.199 . 0 0 "[ . 1 . 2]" 1
709 1 51 ARG HA 1 54 THR HB . . 3.740 2.973 2.543 3.643 . 0 0 "[ . 1 . 2]" 1
710 1 51 ARG HA 1 54 THR MG . . 4.270 2.168 1.935 2.282 . 0 0 "[ . 1 . 2]" 1
711 1 51 ARG HA 1 55 LYS H . . 4.530 3.667 3.379 4.087 . 0 0 "[ . 1 . 2]" 1
712 1 51 ARG HB2 1 51 ARG HG2 . . 2.940 2.764 2.555 2.930 . 0 0 "[ . 1 . 2]" 1
713 1 51 ARG HB2 1 51 ARG HG3 . . 3.020 2.619 2.276 3.005 . 0 0 "[ . 1 . 2]" 1
714 1 51 ARG HB2 1 52 ILE H . . 3.700 2.874 2.384 3.244 . 0 0 "[ . 1 . 2]" 1
715 1 51 ARG HB3 1 51 ARG HD2 . . 3.120 3.077 2.141 3.925 0.805 20 9 "[* *. ** - * **+]" 1
716 1 51 ARG HD2 1 51 ARG HG3 . . 2.970 2.512 2.343 2.924 . 0 0 "[ . 1 . 2]" 1
717 1 52 ILE H 1 52 ILE HB . . 3.170 2.409 2.241 2.512 . 0 0 "[ . 1 . 2]" 1
718 1 52 ILE H 1 52 ILE MD . . 3.840 2.995 2.272 3.254 . 0 0 "[ . 1 . 2]" 1
719 1 52 ILE H 1 52 ILE HG12 . . 3.920 3.579 3.378 3.905 . 0 0 "[ . 1 . 2]" 1
720 1 52 ILE H 1 52 ILE HG13 . . 3.640 2.130 1.944 2.562 . 0 0 "[ . 1 . 2]" 1
721 1 52 ILE H 1 52 ILE MG . . 3.700 3.700 3.654 3.718 0.018 5 0 "[ . 1 . 2]" 1
722 1 52 ILE H 1 53 LEU H . . 3.590 2.940 2.746 3.184 . 0 0 "[ . 1 . 2]" 1
723 1 52 ILE HA 1 52 ILE MD . . 4.100 3.833 3.633 3.882 . 0 0 "[ . 1 . 2]" 1
724 1 52 ILE HA 1 52 ILE HG12 . . 3.710 2.809 2.634 3.161 . 0 0 "[ . 1 . 2]" 1
725 1 52 ILE HA 1 52 ILE HG13 . . 3.230 2.615 2.293 2.798 . 0 0 "[ . 1 . 2]" 1
726 1 52 ILE HA 1 52 ILE MG . . 3.140 2.464 2.289 2.551 . 0 0 "[ . 1 . 2]" 1
727 1 52 ILE HA 1 54 THR H . . 4.950 4.889 4.573 5.037 0.087 19 0 "[ . 1 . 2]" 1
728 1 52 ILE HA 1 55 LYS H . . 4.040 3.584 3.387 3.762 . 0 0 "[ . 1 . 2]" 1
729 1 52 ILE HA 1 55 LYS HB2 . . 4.150 3.018 2.399 3.931 . 0 0 "[ . 1 . 2]" 1
730 1 52 ILE HA 1 56 GLN H . . 5.080 3.724 3.456 4.101 . 0 0 "[ . 1 . 2]" 1
731 1 52 ILE HB 1 52 ILE MD . . 2.770 2.068 1.976 2.240 . 0 0 "[ . 1 . 2]" 1
732 1 52 ILE HB 1 53 LEU H . . 3.680 2.409 2.129 2.870 . 0 0 "[ . 1 . 2]" 1
733 1 52 ILE MG 1 53 LEU H . . 3.710 3.087 2.556 3.638 . 0 0 "[ . 1 . 2]" 1
734 1 52 ILE MG 1 53 LEU HA . . 4.040 3.314 3.032 3.662 . 0 0 "[ . 1 . 2]" 1
735 1 52 ILE MG 1 55 LYS H . . 4.920 4.771 4.463 4.936 0.016 5 0 "[ . 1 . 2]" 1
736 1 52 ILE MG 1 56 GLN H . . 4.390 3.793 3.430 4.100 . 0 0 "[ . 1 . 2]" 1
737 1 52 ILE MG 1 56 GLN HG2 . . 3.760 2.548 2.095 3.053 . 0 0 "[ . 1 . 2]" 1
738 1 53 LEU H 1 53 LEU HB2 . . 3.970 2.310 2.160 2.456 . 0 0 "[ . 1 . 2]" 1
739 1 53 LEU H 1 53 LEU HB3 . . 3.950 3.509 3.454 3.544 . 0 0 "[ . 1 . 2]" 1
740 1 53 LEU H 1 53 LEU QD . . 3.970 2.902 1.801 3.395 . 0 0 "[ . 1 . 2]" 1
741 1 53 LEU H 1 53 LEU HG . . 3.440 2.751 2.141 3.852 0.412 19 0 "[ . 1 . 2]" 1
742 1 53 LEU H 1 54 THR H . . 3.930 2.887 2.511 3.216 . 0 0 "[ . 1 . 2]" 1
743 1 53 LEU H 1 86 LEU HG . . 5.200 4.549 4.242 5.021 . 0 0 "[ . 1 . 2]" 1
744 1 53 LEU HA 1 53 LEU QD . . 3.080 2.062 1.931 2.255 . 0 0 "[ . 1 . 2]" 1
745 1 53 LEU HA 1 53 LEU HG . . 3.680 2.983 2.697 3.691 0.011 14 0 "[ . 1 . 2]" 1
746 1 53 LEU HA 1 56 GLN H . . 4.360 3.518 3.119 3.820 . 0 0 "[ . 1 . 2]" 1
747 1 53 LEU HA 1 56 GLN HB2 . . 3.720 2.600 2.333 2.854 . 0 0 "[ . 1 . 2]" 1
748 1 53 LEU HA 1 56 GLN HB3 . . 4.530 4.246 4.006 4.532 0.002 5 0 "[ . 1 . 2]" 1
749 1 53 LEU HA 1 56 GLN HG2 . . 4.430 3.763 3.058 4.429 . 0 0 "[ . 1 . 2]" 1
750 1 53 LEU HA 1 82 THR MG . . 3.920 2.764 2.496 3.355 . 0 0 "[ . 1 . 2]" 1
751 1 53 LEU HB2 1 54 THR H . . 3.670 2.507 2.340 2.720 . 0 0 "[ . 1 . 2]" 1
752 1 53 LEU HB2 1 86 LEU MD1 . . 3.820 2.985 2.218 3.366 . 0 0 "[ . 1 . 2]" 1
753 1 53 LEU HB2 1 86 LEU MD2 . . 3.750 3.174 2.671 3.508 . 0 0 "[ . 1 . 2]" 1
754 1 53 LEU HB2 1 86 LEU HG . . 3.880 2.273 1.963 2.779 . 0 0 "[ . 1 . 2]" 1
755 1 53 LEU HB3 1 53 LEU QD . . 3.270 2.188 2.087 2.413 . 0 0 "[ . 1 . 2]" 1
756 1 53 LEU HB3 1 54 THR H . . 3.980 3.270 3.031 3.583 . 0 0 "[ . 1 . 2]" 1
757 1 53 LEU HB3 1 86 LEU MD2 . . 3.980 3.777 3.405 3.967 . 0 0 "[ . 1 . 2]" 1
758 1 53 LEU HB3 1 86 LEU HG . . 4.580 2.289 2.001 2.577 . 0 0 "[ . 1 . 2]" 1
759 1 53 LEU QD 1 54 THR H . . 5.000 3.952 3.670 4.132 . 0 0 "[ . 1 . 2]" 1
760 1 53 LEU QD 1 82 THR HA . . 4.160 2.347 1.817 2.827 . 0 0 "[ . 1 . 2]" 1
761 1 53 LEU QD 1 82 THR MG . . 3.120 1.941 1.742 2.326 . 0 0 "[ . 1 . 2]" 1
762 1 53 LEU QD 1 85 LEU H . . 4.710 3.546 3.132 3.796 . 0 0 "[ . 1 . 2]" 1
763 1 53 LEU QD 1 85 LEU HB2 . . 3.670 2.341 1.938 2.730 . 0 0 "[ . 1 . 2]" 1
764 1 53 LEU QD 1 85 LEU HB3 . . 3.550 2.302 1.852 2.851 . 0 0 "[ . 1 . 2]" 1
765 1 53 LEU QD 1 86 LEU H . . 4.090 2.452 2.031 3.349 . 0 0 "[ . 1 . 2]" 1
766 1 53 LEU QD 1 86 LEU HA . . 3.310 2.389 1.976 3.340 0.030 19 0 "[ . 1 . 2]" 1
767 1 53 LEU QD 1 86 LEU MD2 . . 3.150 2.863 1.950 3.107 . 0 0 "[ . 1 . 2]" 1
768 1 53 LEU QD 1 86 LEU HG . . 3.700 2.199 1.823 3.207 . 0 0 "[ . 1 . 2]" 1
769 1 53 LEU QD 1 89 LEU H . . 5.170 4.364 3.932 5.067 . 0 0 "[ . 1 . 2]" 1
770 1 53 LEU QD 1 89 LEU QD . . 3.570 2.698 2.035 3.369 . 0 0 "[ . 1 . 2]" 1
771 1 53 LEU HG 1 54 THR H . . 4.740 4.623 4.368 4.857 0.117 19 0 "[ . 1 . 2]" 1
772 1 54 THR H 1 54 THR HB . . 3.550 1.987 1.956 2.039 . 0 0 "[ . 1 . 2]" 1
773 1 54 THR H 1 54 THR MG . . 3.700 3.029 2.884 3.178 . 0 0 "[ . 1 . 2]" 1
774 1 54 THR H 1 55 LYS H . . 3.310 2.859 2.636 3.045 . 0 0 "[ . 1 . 2]" 1
775 1 54 THR H 1 56 GLN H . . 5.450 4.517 4.170 4.858 . 0 0 "[ . 1 . 2]" 1
776 1 54 THR H 1 86 LEU MD2 . . 4.140 3.920 3.497 4.156 0.016 8 0 "[ . 1 . 2]" 1
777 1 54 THR HA 1 54 THR MG . . 3.070 3.088 3.039 3.147 0.077 16 0 "[ . 1 . 2]" 1
778 1 54 THR HA 1 56 GLN H . . 5.500 4.891 4.404 5.202 . 0 0 "[ . 1 . 2]" 1
779 1 54 THR HA 1 57 LEU H . . 3.700 3.622 3.323 3.718 0.018 8 0 "[ . 1 . 2]" 1
780 1 54 THR HA 1 57 LEU HB2 . . 3.900 3.699 3.344 3.896 . 0 0 "[ . 1 . 2]" 1
781 1 54 THR HA 1 57 LEU HB3 . . 3.570 2.503 2.056 2.665 . 0 0 "[ . 1 . 2]" 1
782 1 54 THR HA 1 57 LEU QD . . 3.570 3.379 2.451 3.525 . 0 0 "[ . 1 . 2]" 1
783 1 54 THR HA 1 57 LEU HG . . 4.550 4.182 3.808 4.476 . 0 0 "[ . 1 . 2]" 1
784 1 54 THR HA 1 58 PHE H . . 5.080 3.859 3.458 4.162 . 0 0 "[ . 1 . 2]" 1
785 1 54 THR HB 1 55 LYS H . . 3.610 3.481 3.271 3.624 0.014 20 0 "[ . 1 . 2]" 1
786 1 54 THR MG 1 55 LYS H . . 3.920 2.073 1.880 2.350 . 0 0 "[ . 1 . 2]" 1
787 1 54 THR MG 1 55 LYS HA . . 4.440 2.917 2.762 3.021 . 0 0 "[ . 1 . 2]" 1
788 1 54 THR MG 1 55 LYS HB2 . . 3.800 3.138 2.918 3.421 . 0 0 "[ . 1 . 2]" 1
789 1 54 THR MG 1 58 PHE H . . 5.040 4.433 4.200 4.618 . 0 0 "[ . 1 . 2]" 1
790 1 54 THR MG 1 58 PHE QD . . 4.640 3.995 3.495 4.617 . 0 0 "[ . 1 . 2]" 1
791 1 55 LYS H 1 55 LYS HB2 . . 3.270 2.191 2.009 2.576 . 0 0 "[ . 1 . 2]" 1
792 1 55 LYS H 1 55 LYS HB3 . . 3.330 3.033 2.367 3.423 0.093 18 0 "[ . 1 . 2]" 1
793 1 55 LYS H 1 55 LYS QD . . 4.660 3.372 2.611 4.213 . 0 0 "[ . 1 . 2]" 1
794 1 55 LYS H 1 55 LYS HG2 . . 4.570 4.390 4.221 4.565 . 0 0 "[ . 1 . 2]" 1
795 1 55 LYS H 1 55 LYS HG3 . . 4.590 3.977 3.118 4.593 0.003 6 0 "[ . 1 . 2]" 1
796 1 55 LYS HA 1 55 LYS QD . . 4.290 3.164 2.257 3.882 . 0 0 "[ . 1 . 2]" 1
797 1 55 LYS HA 1 55 LYS HG2 . . 3.930 3.086 2.350 3.804 . 0 0 "[ . 1 . 2]" 1
798 1 55 LYS HA 1 55 LYS HG3 . . 3.910 2.476 1.943 3.538 . 0 0 "[ . 1 . 2]" 1
799 1 55 LYS HA 1 57 LEU H . . 4.930 4.533 4.000 4.762 . 0 0 "[ . 1 . 2]" 1
800 1 55 LYS HA 1 58 PHE H . . 3.870 3.631 3.504 3.860 . 0 0 "[ . 1 . 2]" 1
801 1 55 LYS HA 1 58 PHE HB2 . . 3.490 3.011 2.801 3.474 . 0 0 "[ . 1 . 2]" 1
802 1 55 LYS HA 1 58 PHE HB3 . . 3.780 3.370 3.105 3.657 . 0 0 "[ . 1 . 2]" 1
803 1 55 LYS HA 1 58 PHE QD . . 5.240 4.344 3.960 4.908 . 0 0 "[ . 1 . 2]" 1
804 1 55 LYS HA 1 59 GLU H . . 4.990 4.676 4.372 4.915 . 0 0 "[ . 1 . 2]" 1
805 1 55 LYS HB3 1 56 GLN H . . 3.320 2.722 2.309 3.221 . 0 0 "[ . 1 . 2]" 1
806 1 55 LYS QD 1 56 GLN H . . 5.090 4.264 2.780 4.754 . 0 0 "[ . 1 . 2]" 1
807 1 55 LYS HE2 1 55 LYS HG2 . . 4.050 2.776 1.986 3.599 . 0 0 "[ . 1 . 2]" 1
808 1 55 LYS HG2 1 56 GLN H . . 5.200 4.764 3.998 5.217 0.017 13 0 "[ . 1 . 2]" 1
809 1 55 LYS HG3 1 56 GLN H . . 5.160 4.684 3.176 5.042 . 0 0 "[ . 1 . 2]" 1
810 1 56 GLN H 1 56 GLN HB2 . . 3.440 2.446 2.363 2.558 . 0 0 "[ . 1 . 2]" 1
811 1 56 GLN H 1 56 GLN HB3 . . 3.910 3.547 3.533 3.558 . 0 0 "[ . 1 . 2]" 1
812 1 56 GLN H 1 56 GLN HG2 . . 3.510 2.205 1.955 2.446 . 0 0 "[ . 1 . 2]" 1
813 1 56 GLN H 1 56 GLN HG3 . . 3.760 3.601 3.128 3.720 . 0 0 "[ . 1 . 2]" 1
814 1 56 GLN H 1 82 THR MG . . 4.760 4.504 4.177 4.781 0.021 19 0 "[ . 1 . 2]" 1
815 1 56 GLN HA 1 56 GLN HG2 . . 4.060 3.040 2.444 3.205 . 0 0 "[ . 1 . 2]" 1
816 1 56 GLN HA 1 58 PHE H . . 5.450 4.744 4.448 5.058 . 0 0 "[ . 1 . 2]" 1
817 1 56 GLN HA 1 59 GLU H . . 4.120 3.414 3.260 3.641 . 0 0 "[ . 1 . 2]" 1
818 1 56 GLN HA 1 59 GLU HB2 . . 3.600 2.512 2.439 2.574 . 0 0 "[ . 1 . 2]" 1
819 1 56 GLN HA 1 59 GLU HB3 . . 4.000 4.018 3.874 4.048 0.048 15 0 "[ . 1 . 2]" 1
820 1 56 GLN HA 1 59 GLU HG2 . . 4.410 4.508 4.411 4.635 0.225 15 0 "[ . 1 . 2]" 1
821 1 56 GLN HA 1 59 GLU HG3 . . 4.590 3.503 3.408 3.596 . 0 0 "[ . 1 . 2]" 1
822 1 56 GLN HA 1 60 ILE H . . 5.070 4.644 4.539 4.859 . 0 0 "[ . 1 . 2]" 1
823 1 56 GLN HB2 1 57 LEU H . . 3.940 2.621 2.499 3.160 . 0 0 "[ . 1 . 2]" 1
824 1 56 GLN HB2 1 82 THR MG . . 3.660 3.068 2.577 3.552 . 0 0 "[ . 1 . 2]" 1
825 1 56 GLN HB3 1 82 THR MG . . 4.330 3.850 3.355 4.361 0.031 16 0 "[ . 1 . 2]" 1
826 1 57 LEU H 1 57 LEU HB2 . . 3.510 2.582 2.535 2.772 . 0 0 "[ . 1 . 2]" 1
827 1 57 LEU H 1 57 LEU HB3 . . 3.220 2.299 2.220 2.336 . 0 0 "[ . 1 . 2]" 1
828 1 57 LEU H 1 57 LEU QD . . 3.810 3.526 3.510 3.662 . 0 0 "[ . 1 . 2]" 1
829 1 57 LEU H 1 58 PHE H . . 3.590 2.905 2.705 2.966 . 0 0 "[ . 1 . 2]" 1
830 1 57 LEU H 1 59 GLU H . . 5.320 3.930 3.622 3.983 . 0 0 "[ . 1 . 2]" 1
831 1 57 LEU H 1 60 ILE MD . . 4.680 4.130 3.784 4.735 0.055 20 0 "[ . 1 . 2]" 1
832 1 57 LEU H 1 82 THR MG . . 3.820 2.703 2.301 3.370 . 0 0 "[ . 1 . 2]" 1
833 1 57 LEU HA 1 57 LEU QD . . 2.980 1.998 1.940 2.704 . 0 0 "[ . 1 . 2]" 1
834 1 57 LEU HA 1 57 LEU HG . . 4.170 3.717 2.893 3.838 . 0 0 "[ . 1 . 2]" 1
835 1 57 LEU HA 1 60 ILE H . . 4.200 3.031 3.009 3.121 . 0 0 "[ . 1 . 2]" 1
836 1 57 LEU HA 1 60 ILE HB . . 3.660 2.832 2.744 3.447 . 0 0 "[ . 1 . 2]" 1
837 1 57 LEU HA 1 60 ILE MD . . 2.980 2.233 1.949 2.627 . 0 0 "[ . 1 . 2]" 1
838 1 57 LEU HA 1 60 ILE MG . . 3.940 4.047 4.008 4.336 0.396 20 0 "[ . 1 . 2]" 1
839 1 57 LEU HA 1 82 THR MG . . 4.070 2.849 1.974 3.232 . 0 0 "[ . 1 . 2]" 1
840 1 57 LEU HB2 1 58 PHE H . . 4.190 3.916 3.850 3.998 . 0 0 "[ . 1 . 2]" 1
841 1 57 LEU HB2 1 59 GLU H . . 5.380 5.441 5.299 5.473 0.093 9 0 "[ . 1 . 2]" 1
842 1 57 LEU HB2 1 60 ILE MD . . 4.970 3.523 3.282 3.892 . 0 0 "[ . 1 . 2]" 1
843 1 57 LEU HB2 1 82 THR MG . . 4.030 1.840 1.768 1.938 . 0 0 "[ . 1 . 2]" 1
844 1 57 LEU HB3 1 58 PHE H . . 3.850 2.506 2.409 2.634 . 0 0 "[ . 1 . 2]" 1
845 1 57 LEU HB3 1 59 GLU H . . 4.950 4.741 4.592 4.805 . 0 0 "[ . 1 . 2]" 1
846 1 57 LEU HB3 1 60 ILE MD . . 5.040 4.635 4.375 4.964 . 0 0 "[ . 1 . 2]" 1
847 1 57 LEU HB3 1 82 THR MG . . 4.180 3.093 2.831 3.226 . 0 0 "[ . 1 . 2]" 1
848 1 57 LEU QD 1 58 PHE H . . 4.520 2.307 2.196 2.798 . 0 0 "[ . 1 . 2]" 1
849 1 57 LEU QD 1 58 PHE HB2 . . 3.580 3.206 3.085 3.591 0.011 20 0 "[ . 1 . 2]" 1
850 1 57 LEU QD 1 59 GLU H . . 4.820 3.963 3.879 4.715 . 0 0 "[ . 1 . 2]" 1
851 1 57 LEU QD 1 60 ILE HG13 . . 3.380 3.379 3.319 3.623 0.243 20 0 "[ . 1 . 2]" 1
852 1 57 LEU QD 1 79 ALA HA . . 3.020 2.604 2.152 3.030 0.010 20 0 "[ . 1 . 2]" 1
853 1 57 LEU QD 1 82 THR HB . . 3.600 3.314 2.724 3.586 . 0 0 "[ . 1 . 2]" 1
854 1 57 LEU QD 1 83 GLU H . . 4.100 3.950 3.670 4.063 . 0 0 "[ . 1 . 2]" 1
855 1 57 LEU QD 1 83 GLU HG2 . . 3.540 2.842 2.275 3.191 . 0 0 "[ . 1 . 2]" 1
856 1 57 LEU QD 1 83 GLU HG3 . . 3.570 3.409 2.965 3.549 . 0 0 "[ . 1 . 2]" 1
857 1 57 LEU HG 1 82 THR MG . . 3.430 3.311 3.090 3.504 0.074 20 0 "[ . 1 . 2]" 1
858 1 58 PHE H 1 58 PHE HB2 . . 3.420 1.959 1.917 2.017 . 0 0 "[ . 1 . 2]" 1
859 1 58 PHE H 1 58 PHE HB3 . . 3.360 2.883 2.784 2.991 . 0 0 "[ . 1 . 2]" 1
860 1 58 PHE H 1 58 PHE QD . . 4.790 3.755 3.556 3.844 . 0 0 "[ . 1 . 2]" 1
861 1 58 PHE H 1 59 GLU H . . 3.370 2.833 2.753 2.864 . 0 0 "[ . 1 . 2]" 1
862 1 58 PHE H 1 60 ILE H . . 5.060 4.202 4.159 4.311 . 0 0 "[ . 1 . 2]" 1
863 1 58 PHE HA 1 58 PHE QD . . 3.700 3.000 2.765 3.117 . 0 0 "[ . 1 . 2]" 1
864 1 58 PHE HA 1 58 PHE QE . . 5.230 4.577 4.481 4.644 . 0 0 "[ . 1 . 2]" 1
865 1 58 PHE HA 1 61 ASP H . . 3.960 3.604 3.556 3.669 . 0 0 "[ . 1 . 2]" 1
866 1 58 PHE HA 1 61 ASP HB2 . . 3.670 3.669 3.574 3.730 0.060 9 0 "[ . 1 . 2]" 1
867 1 58 PHE HA 1 61 ASP HB3 . . 3.560 3.611 3.550 3.712 0.152 18 0 "[ . 1 . 2]" 1
868 1 58 PHE HB2 1 59 GLU H . . 3.760 3.662 3.537 3.793 0.033 20 0 "[ . 1 . 2]" 1
869 1 58 PHE HB3 1 59 GLU H . . 4.000 2.929 2.818 3.024 . 0 0 "[ . 1 . 2]" 1
870 1 58 PHE QD 1 59 GLU H . . 4.990 4.369 4.202 4.502 . 0 0 "[ . 1 . 2]" 1
871 1 58 PHE QD 1 59 GLU HA . . 4.450 3.917 3.666 4.169 . 0 0 "[ . 1 . 2]" 1
872 1 59 GLU H 1 59 GLU HB2 . . 3.550 2.122 2.103 2.135 . 0 0 "[ . 1 . 2]" 1
873 1 59 GLU H 1 59 GLU HB3 . . 3.720 3.400 3.387 3.417 . 0 0 "[ . 1 . 2]" 1
874 1 59 GLU H 1 59 GLU HG2 . . 3.620 3.288 3.204 3.439 . 0 0 "[ . 1 . 2]" 1
875 1 59 GLU H 1 59 GLU HG3 . . 3.830 3.780 3.646 3.888 0.058 2 0 "[ . 1 . 2]" 1
876 1 59 GLU H 1 60 ILE H . . 3.470 2.391 2.333 2.466 . 0 0 "[ . 1 . 2]" 1
877 1 59 GLU H 1 60 ILE HB . . 4.700 4.594 4.539 4.806 0.106 20 0 "[ . 1 . 2]" 1
878 1 59 GLU HA 1 59 GLU HG2 . . 4.080 2.233 2.097 2.322 . 0 0 "[ . 1 . 2]" 1
879 1 59 GLU HA 1 59 GLU HG3 . . 3.770 3.516 3.436 3.557 . 0 0 "[ . 1 . 2]" 1
880 1 59 GLU HA 1 62 SER H . . 4.170 3.133 3.017 3.292 . 0 0 "[ . 1 . 2]" 1
881 1 59 GLU HB2 1 60 ILE H . . 4.150 3.144 3.109 3.187 . 0 0 "[ . 1 . 2]" 1
882 1 59 GLU HB3 1 60 ILE H . . 3.510 3.534 3.522 3.557 0.047 15 0 "[ . 1 . 2]" 1
883 1 60 ILE H 1 60 ILE HB . . 3.480 2.435 2.367 2.607 . 0 0 "[ . 1 . 2]" 1
884 1 60 ILE H 1 60 ILE MD . . 3.820 3.576 3.463 3.693 . 0 0 "[ . 1 . 2]" 1
885 1 60 ILE H 1 60 ILE HG12 . . 3.760 3.162 2.588 3.348 . 0 0 "[ . 1 . 2]" 1
886 1 60 ILE H 1 60 ILE HG13 . . 3.700 2.034 1.935 2.145 . 0 0 "[ . 1 . 2]" 1
887 1 60 ILE H 1 60 ILE MG . . 3.800 3.707 3.697 3.715 . 0 0 "[ . 1 . 2]" 1
888 1 60 ILE H 1 61 ASP H . . 3.810 2.690 2.640 2.752 . 0 0 "[ . 1 . 2]" 1
889 1 60 ILE H 1 62 SER H . . 4.810 3.755 3.624 3.859 . 0 0 "[ . 1 . 2]" 1
890 1 60 ILE H 1 63 VAL QG . . 5.090 4.565 4.305 5.014 . 0 0 "[ . 1 . 2]" 1
891 1 60 ILE HA 1 60 ILE MD . . 3.920 3.772 3.654 3.842 . 0 0 "[ . 1 . 2]" 1
892 1 60 ILE HA 1 60 ILE HG12 . . 3.410 2.479 2.408 2.570 . 0 0 "[ . 1 . 2]" 1
893 1 60 ILE HA 1 60 ILE HG13 . . 3.450 3.111 2.964 3.442 . 0 0 "[ . 1 . 2]" 1
894 1 60 ILE HA 1 60 ILE MG . . 3.030 2.439 2.305 2.516 . 0 0 "[ . 1 . 2]" 1
895 1 60 ILE HA 1 62 SER H . . 4.510 4.006 3.541 4.372 . 0 0 "[ . 1 . 2]" 1
896 1 60 ILE HA 1 63 VAL H . . 4.600 3.394 3.142 3.851 . 0 0 "[ . 1 . 2]" 1
897 1 60 ILE HA 1 63 VAL QG . . 3.350 2.799 2.441 3.291 . 0 0 "[ . 1 . 2]" 1
898 1 60 ILE HB 1 60 ILE MD . . 3.280 2.396 2.272 2.560 . 0 0 "[ . 1 . 2]" 1
899 1 60 ILE HB 1 61 ASP H . . 3.850 2.615 2.491 2.742 . 0 0 "[ . 1 . 2]" 1
900 1 60 ILE HB 1 61 ASP HB3 . . 5.260 5.227 5.090 5.330 0.070 4 0 "[ . 1 . 2]" 1
901 1 60 ILE HB 1 79 ALA MB . . 4.180 3.673 3.310 4.043 . 0 0 "[ . 1 . 2]" 1
902 1 60 ILE MD 1 60 ILE MG . . 2.650 1.913 1.808 2.121 . 0 0 "[ . 1 . 2]" 1
903 1 60 ILE MD 1 61 ASP H . . 4.580 4.602 4.527 4.630 0.050 9 0 "[ . 1 . 2]" 1
904 1 60 ILE MD 1 78 ALA H . . 5.100 4.267 3.959 4.613 . 0 0 "[ . 1 . 2]" 1
905 1 60 ILE MD 1 78 ALA MB . . 3.100 1.908 1.762 2.121 . 0 0 "[ . 1 . 2]" 1
906 1 60 ILE MD 1 79 ALA H . . 4.430 3.191 2.656 3.677 . 0 0 "[ . 1 . 2]" 1
907 1 60 ILE MD 1 79 ALA HA . . 3.320 2.170 1.966 2.474 . 0 0 "[ . 1 . 2]" 1
908 1 60 ILE MD 1 79 ALA MB . . 3.590 3.225 2.881 3.408 . 0 0 "[ . 1 . 2]" 1
909 1 60 ILE MD 1 82 THR H . . 4.630 3.468 3.220 3.646 . 0 0 "[ . 1 . 2]" 1
910 1 60 ILE MD 1 82 THR HB . . 4.280 2.562 2.191 2.974 . 0 0 "[ . 1 . 2]" 1
911 1 60 ILE MD 1 82 THR MG . . 3.460 2.916 2.322 3.378 . 0 0 "[ . 1 . 2]" 1
912 1 60 ILE MD 1 83 GLU H . . 5.160 4.490 4.173 4.757 . 0 0 "[ . 1 . 2]" 1
913 1 60 ILE HG12 1 60 ILE MG . . 3.550 2.487 2.374 2.674 . 0 0 "[ . 1 . 2]" 1
914 1 60 ILE HG12 1 78 ALA MB . . 4.200 3.024 2.585 3.635 . 0 0 "[ . 1 . 2]" 1
915 1 60 ILE HG13 1 60 ILE MG . . 3.440 3.233 3.200 3.241 . 0 0 "[ . 1 . 2]" 1
916 1 60 ILE MG 1 61 ASP H . . 4.020 3.462 3.309 3.599 . 0 0 "[ . 1 . 2]" 1
917 1 60 ILE MG 1 61 ASP HA . . 3.870 3.486 3.321 3.729 . 0 0 "[ . 1 . 2]" 1
918 1 60 ILE MG 1 62 SER H . . 4.900 4.789 4.530 4.914 0.014 18 0 "[ . 1 . 2]" 1
919 1 60 ILE MG 1 75 ARG HA . . 3.110 2.671 2.137 2.979 . 0 0 "[ . 1 . 2]" 1
920 1 60 ILE MG 1 75 ARG HB2 . . 4.340 4.179 3.847 4.409 0.069 11 0 "[ . 1 . 2]" 1
921 1 60 ILE MG 1 75 ARG QD . . 3.910 3.226 1.941 3.546 . 0 0 "[ . 1 . 2]" 1
922 1 60 ILE MG 1 75 ARG HG2 . . 3.630 1.911 1.768 2.086 . 0 0 "[ . 1 . 2]" 1
923 1 60 ILE MG 1 75 ARG HG3 . . 3.060 2.842 1.808 3.568 0.508 7 1 "[ . + 1 . 2]" 1
924 1 60 ILE MG 1 76 LYS H . . 5.040 4.619 4.376 4.809 . 0 0 "[ . 1 . 2]" 1
925 1 60 ILE MG 1 76 LYS HA . . 4.240 4.158 3.906 4.292 0.052 18 0 "[ . 1 . 2]" 1
926 1 60 ILE MG 1 78 ALA H . . 4.350 3.841 3.691 4.169 . 0 0 "[ . 1 . 2]" 1
927 1 60 ILE MG 1 78 ALA HA . . 4.520 4.542 4.524 4.580 0.060 9 0 "[ . 1 . 2]" 1
928 1 60 ILE MG 1 78 ALA MB . . 2.820 2.296 2.077 2.546 . 0 0 "[ . 1 . 2]" 1
929 1 60 ILE MG 1 79 ALA H . . 3.730 2.656 2.334 3.029 . 0 0 "[ . 1 . 2]" 1
930 1 60 ILE MG 1 79 ALA MB . . 2.710 2.246 1.910 2.715 0.005 15 0 "[ . 1 . 2]" 1
931 1 61 ASP H 1 61 ASP HB2 . . 3.380 2.231 2.148 2.313 . 0 0 "[ . 1 . 2]" 1
932 1 61 ASP H 1 61 ASP HB3 . . 3.190 2.718 2.616 2.846 . 0 0 "[ . 1 . 2]" 1
933 1 61 ASP H 1 62 SER H . . 3.350 2.549 2.441 2.641 . 0 0 "[ . 1 . 2]" 1
934 1 61 ASP HA 1 61 ASP HB2 . . 3.010 2.624 2.576 2.702 . 0 0 "[ . 1 . 2]" 1
935 1 61 ASP HA 1 63 VAL H . . 4.880 4.279 3.667 4.896 0.016 18 0 "[ . 1 . 2]" 1
936 1 61 ASP HA 1 75 ARG QD . . 3.990 3.519 2.252 3.812 . 0 0 "[ . 1 . 2]" 1
937 1 61 ASP HA 1 75 ARG HG2 . . 4.840 4.357 2.793 4.725 . 0 0 "[ . 1 . 2]" 1
938 1 61 ASP HB2 1 62 SER H . . 3.910 3.844 3.677 4.042 0.132 15 0 "[ . 1 . 2]" 1
939 1 61 ASP HB3 1 62 SER H . . 4.070 2.963 2.733 3.509 . 0 0 "[ . 1 . 2]" 1
940 1 62 SER H 1 62 SER HB2 . . 3.540 2.092 2.018 2.420 . 0 0 "[ . 1 . 2]" 1
941 1 62 SER H 1 62 SER HB3 . . 3.380 3.125 2.598 3.453 0.073 18 0 "[ . 1 . 2]" 1
942 1 62 SER H 1 63 VAL HB . . 4.740 4.491 4.287 4.736 . 0 0 "[ . 1 . 2]" 1
943 1 62 SER H 1 63 VAL QG . . 4.510 4.102 3.816 4.404 . 0 0 "[ . 1 . 2]" 1
944 1 62 SER HB3 1 63 VAL H . . 4.300 3.001 2.352 3.781 . 0 0 "[ . 1 . 2]" 1
945 1 63 VAL H 1 63 VAL HB . . 3.090 2.235 2.088 2.435 . 0 0 "[ . 1 . 2]" 1
946 1 63 VAL H 1 63 VAL QG . . 3.080 2.395 2.015 2.680 . 0 0 "[ . 1 . 2]" 1
947 1 63 VAL H 1 64 ASP H . . 4.460 4.478 4.402 4.594 0.134 15 0 "[ . 1 . 2]" 1
948 1 63 VAL H 1 75 ARG QD . . 4.690 4.071 3.168 4.397 . 0 0 "[ . 1 . 2]" 1
949 1 63 VAL H 1 75 ARG HE . . 4.320 4.244 3.860 4.333 0.013 16 0 "[ . 1 . 2]" 1
950 1 63 VAL HA 1 63 VAL QG . . 3.040 2.051 1.994 2.211 . 0 0 "[ . 1 . 2]" 1
951 1 63 VAL HA 1 64 ASP H . . 2.810 2.187 2.182 2.205 . 0 0 "[ . 1 . 2]" 1
952 1 63 VAL HA 1 64 ASP HB2 . . 4.770 4.491 4.324 4.786 0.016 17 0 "[ . 1 . 2]" 1
953 1 63 VAL HA 1 64 ASP HB3 . . 4.360 4.656 4.345 4.787 0.427 12 0 "[ . 1 . 2]" 1
954 1 63 VAL HB 1 64 ASP H . . 4.600 4.515 4.365 4.624 0.024 17 0 "[ . 1 . 2]" 1
955 1 63 VAL HB 1 75 ARG QD . . 3.720 3.094 1.972 3.982 0.262 15 0 "[ . 1 . 2]" 1
956 1 63 VAL QG 1 64 ASP H . . 3.580 2.897 2.584 3.070 . 0 0 "[ . 1 . 2]" 1
957 1 63 VAL QG 1 75 ARG QD . . 4.460 2.880 1.689 3.729 . 0 0 "[ . 1 . 2]" 1
958 1 64 ASP H 1 64 ASP HB2 . . 3.480 2.475 2.220 2.925 . 0 0 "[ . 1 . 2]" 1
959 1 64 ASP H 1 64 ASP HB3 . . 3.460 2.516 2.208 2.717 . 0 0 "[ . 1 . 2]" 1
960 1 64 ASP HA 1 65 THR H . . 3.020 2.412 2.252 2.665 . 0 0 "[ . 1 . 2]" 1
961 1 64 ASP HA 1 65 THR MG . . 4.300 3.393 2.982 3.786 . 0 0 "[ . 1 . 2]" 1
962 1 64 ASP HA 1 66 GLU H . . 5.190 4.312 3.450 5.210 0.020 16 0 "[ . 1 . 2]" 1
963 1 64 ASP HB2 1 65 THR H . . 5.210 4.114 3.810 4.545 . 0 0 "[ . 1 . 2]" 1
964 1 64 ASP HB3 1 65 THR H . . 5.240 3.814 3.156 4.533 . 0 0 "[ . 1 . 2]" 1
965 1 65 THR H 1 65 THR MG . . 3.440 2.571 1.925 3.029 . 0 0 "[ . 1 . 2]" 1
966 1 65 THR H 1 66 GLU HA . . 4.570 4.208 3.891 4.587 0.017 19 0 "[ . 1 . 2]" 1
967 1 65 THR H 1 67 GLY H . . 4.800 4.295 3.802 4.808 0.008 13 0 "[ . 1 . 2]" 1
968 1 65 THR HA 1 65 THR MG . . 3.050 2.447 2.302 2.644 . 0 0 "[ . 1 . 2]" 1
969 1 65 THR HA 1 71 ILE HB . . 3.680 2.887 2.333 3.520 . 0 0 "[ . 1 . 2]" 1
970 1 65 THR HA 1 71 ILE MD . . 3.710 2.833 2.207 3.381 . 0 0 "[ . 1 . 2]" 1
971 1 65 THR HA 1 71 ILE MG . . 3.020 2.344 1.892 3.030 0.010 16 0 "[ . 1 . 2]" 1
972 1 65 THR HA 1 72 GLN H . . 4.910 4.259 3.819 4.638 . 0 0 "[ . 1 . 2]" 1
973 1 65 THR HB 1 67 GLY H . . 5.080 3.454 2.974 4.343 . 0 0 "[ . 1 . 2]" 1
974 1 65 THR HB 1 68 LYS H . . 4.020 3.037 2.580 3.655 . 0 0 "[ . 1 . 2]" 1
975 1 65 THR HB 1 71 ILE HB . . 3.660 3.273 2.175 3.660 . 0 0 "[ . 1 . 2]" 1
976 1 65 THR HB 1 71 ILE MG . . 3.880 3.320 2.496 3.851 . 0 0 "[ . 1 . 2]" 1
977 1 65 THR HB 1 72 GLN H . . 4.250 2.938 2.048 3.296 . 0 0 "[ . 1 . 2]" 1
978 1 65 THR HB 1 72 GLN HA . . 4.130 3.128 2.669 3.891 . 0 0 "[ . 1 . 2]" 1
979 1 65 THR HB 1 72 GLN QB . . 4.670 3.132 2.718 3.583 . 0 0 "[ . 1 . 2]" 1
980 1 65 THR HB 1 72 GLN HG2 . . 4.070 3.066 2.326 3.900 . 0 0 "[ . 1 . 2]" 1
981 1 65 THR HB 1 72 GLN HG3 . . 3.760 2.886 2.252 3.769 0.009 15 0 "[ . 1 . 2]" 1
982 1 65 THR MG 1 66 GLU H . . 5.290 3.833 3.411 4.396 . 0 0 "[ . 1 . 2]" 1
983 1 65 THR MG 1 68 LYS H . . 4.950 4.575 4.246 4.955 0.005 13 0 "[ . 1 . 2]" 1
984 1 65 THR MG 1 71 ILE H . . 5.430 5.062 4.239 5.443 0.013 18 0 "[ . 1 . 2]" 1
985 1 65 THR MG 1 71 ILE HB . . 4.150 3.461 2.483 4.128 . 0 0 "[ . 1 . 2]" 1
986 1 65 THR MG 1 71 ILE MG . . 3.180 2.187 1.768 2.603 . 0 0 "[ . 1 . 2]" 1
987 1 65 THR MG 1 72 GLN H . . 4.120 3.427 2.545 3.720 . 0 0 "[ . 1 . 2]" 1
988 1 65 THR MG 1 72 GLN HA . . 3.220 2.145 1.879 2.666 . 0 0 "[ . 1 . 2]" 1
989 1 65 THR MG 1 72 GLN QB . . 4.420 3.616 3.295 4.069 . 0 0 "[ . 1 . 2]" 1
990 1 65 THR MG 1 72 GLN HG2 . . 3.670 2.363 1.979 3.274 . 0 0 "[ . 1 . 2]" 1
991 1 65 THR MG 1 72 GLN HG3 . . 4.070 3.313 2.945 3.865 . 0 0 "[ . 1 . 2]" 1
992 1 65 THR MG 1 75 ARG H . . 4.930 4.306 3.867 4.702 . 0 0 "[ . 1 . 2]" 1
993 1 65 THR MG 1 75 ARG HB2 . . 4.770 2.899 2.479 3.333 . 0 0 "[ . 1 . 2]" 1
994 1 65 THR MG 1 75 ARG HB3 . . 4.100 3.148 2.623 3.927 . 0 0 "[ . 1 . 2]" 1
995 1 65 THR MG 1 75 ARG QD . . 3.350 2.271 1.839 2.861 . 0 0 "[ . 1 . 2]" 1
996 1 65 THR MG 1 76 LYS H . . 5.400 4.404 3.975 4.934 . 0 0 "[ . 1 . 2]" 1
997 1 66 GLU H 1 66 GLU HG2 . . 4.240 4.086 3.421 4.245 0.005 15 0 "[ . 1 . 2]" 1
998 1 66 GLU H 1 66 GLU HG3 . . 4.240 4.044 3.572 4.243 0.003 16 0 "[ . 1 . 2]" 1
999 1 66 GLU H 1 67 GLY H . . 4.390 2.758 2.467 3.763 . 0 0 "[ . 1 . 2]" 1
1000 1 66 GLU HA 1 66 GLU HG2 . . 3.880 2.143 1.999 2.267 . 0 0 "[ . 1 . 2]" 1
1001 1 66 GLU HA 1 68 LYS H . . 5.250 5.101 4.505 5.257 0.007 18 0 "[ . 1 . 2]" 1
1002 1 66 GLU HB2 1 67 GLY H . . 5.170 4.497 4.177 4.723 . 0 0 "[ . 1 . 2]" 1
1003 1 66 GLU HB2 1 68 LYS HE2 . . 4.030 3.796 3.209 4.976 0.946 19 1 "[ . 1 . +2]" 1
1004 1 66 GLU HB2 1 68 LYS HG3 . . 4.250 3.661 3.363 3.990 . 0 0 "[ . 1 . 2]" 1
1005 1 66 GLU HB2 1 71 ILE MD . . 5.140 4.605 3.730 5.118 . 0 0 "[ . 1 . 2]" 1
1006 1 66 GLU HB3 1 67 GLY H . . 5.400 4.306 4.152 4.439 . 0 0 "[ . 1 . 2]" 1
1007 1 66 GLU HB3 1 68 LYS HE2 . . 4.350 2.613 2.021 4.460 0.110 19 0 "[ . 1 . 2]" 1
1008 1 66 GLU HB3 1 71 ILE MD . . 5.120 4.962 4.651 5.149 0.029 16 0 "[ . 1 . 2]" 1
1009 1 67 GLY H 1 68 LYS HB2 . . 5.500 5.025 4.522 5.253 . 0 0 "[ . 1 . 2]" 1
1010 1 68 LYS H 1 68 LYS HB2 . . 3.530 2.583 2.287 2.882 . 0 0 "[ . 1 . 2]" 1
1011 1 68 LYS H 1 68 LYS HB3 . . 4.110 3.717 3.539 3.866 . 0 0 "[ . 1 . 2]" 1
1012 1 68 LYS H 1 68 LYS HD2 . . 4.690 4.573 4.276 4.706 0.016 11 0 "[ . 1 . 2]" 1
1013 1 68 LYS H 1 68 LYS HG2 . . 3.920 3.906 3.794 3.955 0.035 20 0 "[ . 1 . 2]" 1
1014 1 68 LYS H 1 68 LYS HG3 . . 3.700 2.904 2.682 3.059 . 0 0 "[ . 1 . 2]" 1
1015 1 68 LYS H 1 71 ILE H . . 4.590 4.473 4.238 4.595 0.005 20 0 "[ . 1 . 2]" 1
1016 1 68 LYS H 1 71 ILE MD . . 5.080 4.548 3.674 4.841 . 0 0 "[ . 1 . 2]" 1
1017 1 68 LYS H 1 72 GLN QB . . 4.880 3.271 3.123 4.077 . 0 0 "[ . 1 . 2]" 1
1018 1 68 LYS HA 1 68 LYS HD2 . . 4.610 4.686 4.465 4.937 0.327 18 0 "[ . 1 . 2]" 1
1019 1 68 LYS HA 1 68 LYS HG2 . . 3.680 2.438 2.257 2.757 . 0 0 "[ . 1 . 2]" 1
1020 1 68 LYS HA 1 68 LYS HG3 . . 4.070 3.043 2.883 3.120 . 0 0 "[ . 1 . 2]" 1
1021 1 68 LYS HB2 1 68 LYS HD2 . . 3.590 2.751 2.509 3.161 . 0 0 "[ . 1 . 2]" 1
1022 1 68 LYS HB3 1 68 LYS HD2 . . 4.120 3.178 2.637 3.792 . 0 0 "[ . 1 . 2]" 1
1023 1 68 LYS HB3 1 68 LYS HD3 . . 4.210 2.507 2.398 2.677 . 0 0 "[ . 1 . 2]" 1
1024 1 68 LYS HB3 1 71 ILE H . . 4.050 3.587 2.995 4.059 0.009 2 0 "[ . 1 . 2]" 1
1025 1 68 LYS HB3 1 71 ILE MD . . 4.010 3.467 2.718 4.020 0.010 18 0 "[ . 1 . 2]" 1
1026 1 68 LYS HD2 1 71 ILE MD . . 3.960 2.474 2.009 3.149 . 0 0 "[ . 1 . 2]" 1
1027 1 68 LYS HD3 1 71 ILE MD . . 3.750 2.984 1.954 3.756 0.006 9 0 "[ . 1 . 2]" 1
1028 1 68 LYS HE2 1 68 LYS HG2 . . 3.490 2.610 2.370 3.079 . 0 0 "[ . 1 . 2]" 1
1029 1 68 LYS HE2 1 68 LYS HG3 . . 3.500 2.658 2.178 3.983 0.483 19 0 "[ . 1 . 2]" 1
1030 1 68 LYS HE3 1 71 ILE MD . . 4.090 3.975 3.680 4.816 0.726 19 1 "[ . 1 . +2]" 1
1031 1 68 LYS HG3 1 71 ILE MD . . 4.560 3.952 3.623 4.292 . 0 0 "[ . 1 . 2]" 1
1032 1 69 GLY H 1 71 ILE H . . 4.690 3.857 2.776 4.624 . 0 0 "[ . 1 . 2]" 1
1033 1 69 GLY HA2 1 72 GLN H . . 5.050 3.421 2.941 3.812 . 0 0 "[ . 1 . 2]" 1
1034 1 69 GLY HA2 1 72 GLN QB . . 4.360 2.251 2.112 2.353 . 0 0 "[ . 1 . 2]" 1
1035 1 69 GLY HA3 1 72 GLN QB . . 4.200 3.718 3.642 3.810 . 0 0 "[ . 1 . 2]" 1
1036 1 70 ASP HA 1 73 GLN H . . 4.280 4.216 4.082 4.294 0.014 20 0 "[ . 1 . 2]" 1
1037 1 70 ASP HA 1 73 GLN HB2 . . 3.410 3.427 3.351 3.470 0.060 15 0 "[ . 1 . 2]" 1
1038 1 70 ASP HA 1 74 ALA H . . 4.830 4.598 4.402 4.840 0.010 19 0 "[ . 1 . 2]" 1
1039 1 70 ASP HB2 1 71 ILE H . . 4.930 2.703 2.212 3.958 . 0 0 "[ . 1 . 2]" 1
1040 1 70 ASP HB3 1 71 ILE H . . 4.840 3.494 2.513 4.097 . 0 0 "[ . 1 . 2]" 1
1041 1 71 ILE H 1 71 ILE HB . . 3.470 2.385 2.283 2.500 . 0 0 "[ . 1 . 2]" 1
1042 1 71 ILE H 1 71 ILE MD . . 4.160 3.488 2.993 4.043 . 0 0 "[ . 1 . 2]" 1
1043 1 71 ILE H 1 71 ILE HG12 . . 3.850 3.713 3.388 3.882 0.032 17 0 "[ . 1 . 2]" 1
1044 1 71 ILE H 1 71 ILE HG13 . . 3.270 2.419 1.964 2.772 . 0 0 "[ . 1 . 2]" 1
1045 1 71 ILE H 1 71 ILE MG . . 4.080 3.717 3.666 3.773 . 0 0 "[ . 1 . 2]" 1
1046 1 71 ILE H 1 72 GLN H . . 3.200 2.448 2.177 2.668 . 0 0 "[ . 1 . 2]" 1
1047 1 71 ILE H 1 72 GLN QB . . 4.930 3.961 3.738 4.145 . 0 0 "[ . 1 . 2]" 1
1048 1 71 ILE H 1 73 GLN H . . 5.040 3.849 3.415 4.220 . 0 0 "[ . 1 . 2]" 1
1049 1 71 ILE HA 1 71 ILE MD . . 4.180 3.839 3.648 3.919 . 0 0 "[ . 1 . 2]" 1
1050 1 71 ILE HA 1 71 ILE HG12 . . 3.590 2.614 2.278 2.820 . 0 0 "[ . 1 . 2]" 1
1051 1 71 ILE HA 1 71 ILE HG13 . . 3.990 2.864 2.557 3.107 . 0 0 "[ . 1 . 2]" 1
1052 1 71 ILE HA 1 71 ILE MG . . 3.080 2.474 2.368 2.557 . 0 0 "[ . 1 . 2]" 1
1053 1 71 ILE HA 1 74 ALA H . . 4.020 3.288 3.036 3.556 . 0 0 "[ . 1 . 2]" 1
1054 1 71 ILE HA 1 74 ALA MB . . 3.200 2.671 2.435 2.814 . 0 0 "[ . 1 . 2]" 1
1055 1 71 ILE HA 1 75 ARG H . . 4.600 3.539 3.021 4.562 . 0 0 "[ . 1 . 2]" 1
1056 1 71 ILE HB 1 71 ILE MD . . 3.330 2.285 2.091 2.469 . 0 0 "[ . 1 . 2]" 1
1057 1 71 ILE HB 1 72 GLN H . . 3.680 2.458 2.371 2.567 . 0 0 "[ . 1 . 2]" 1
1058 1 71 ILE MD 1 71 ILE MG . . 2.820 2.090 1.840 2.407 . 0 0 "[ . 1 . 2]" 1
1059 1 71 ILE MD 1 72 GLN H . . 5.500 4.287 4.004 4.521 . 0 0 "[ . 1 . 2]" 1
1060 1 71 ILE HG12 1 71 ILE MG . . 3.290 2.334 2.180 2.628 . 0 0 "[ . 1 . 2]" 1
1061 1 71 ILE HG12 1 72 GLN H . . 5.230 5.011 4.888 5.108 . 0 0 "[ . 1 . 2]" 1
1062 1 71 ILE HG12 1 74 ALA MB . . 4.520 4.451 4.306 4.529 0.009 5 0 "[ . 1 . 2]" 1
1063 1 71 ILE HG13 1 71 ILE MG . . 3.540 3.220 3.161 3.240 . 0 0 "[ . 1 . 2]" 1
1064 1 71 ILE HG13 1 72 GLN H . . 4.440 4.283 4.022 4.451 0.011 12 0 "[ . 1 . 2]" 1
1065 1 71 ILE MG 1 72 GLN H . . 4.350 3.223 2.865 3.538 . 0 0 "[ . 1 . 2]" 1
1066 1 71 ILE MG 1 72 GLN HA . . 4.320 3.352 3.039 3.750 . 0 0 "[ . 1 . 2]" 1
1067 1 71 ILE MG 1 75 ARG H . . 4.330 3.214 2.891 3.941 . 0 0 "[ . 1 . 2]" 1
1068 1 71 ILE MG 1 75 ARG HB2 . . 4.130 2.574 1.954 4.061 . 0 0 "[ . 1 . 2]" 1
1069 1 71 ILE MG 1 75 ARG QD . . 4.350 3.618 2.516 3.989 . 0 0 "[ . 1 . 2]" 1
1070 1 72 GLN H 1 72 GLN QB . . 3.380 2.020 2.002 2.039 . 0 0 "[ . 1 . 2]" 1
1071 1 72 GLN H 1 72 GLN HG2 . . 3.810 3.787 3.672 3.864 0.054 7 0 "[ . 1 . 2]" 1
1072 1 72 GLN H 1 72 GLN HG3 . . 3.710 3.778 3.693 3.864 0.154 15 0 "[ . 1 . 2]" 1
1073 1 72 GLN HA 1 72 GLN HG2 . . 3.580 1.977 1.972 1.982 . 0 0 "[ . 1 . 2]" 1
1074 1 72 GLN HA 1 74 ALA H . . 5.020 4.840 4.333 5.030 0.010 14 0 "[ . 1 . 2]" 1
1075 1 72 GLN HA 1 75 ARG H . . 4.320 3.906 3.578 4.315 . 0 0 "[ . 1 . 2]" 1
1076 1 72 GLN HA 1 75 ARG HB2 . . 4.040 3.197 2.696 3.860 . 0 0 "[ . 1 . 2]" 1
1077 1 72 GLN HA 1 75 ARG HB3 . . 4.090 3.154 2.701 4.156 0.066 18 0 "[ . 1 . 2]" 1
1078 1 73 GLN H 1 73 GLN HB2 . . 3.140 2.047 2.020 2.112 . 0 0 "[ . 1 . 2]" 1
1079 1 73 GLN H 1 73 GLN HB3 . . 3.430 3.292 3.144 3.349 . 0 0 "[ . 1 . 2]" 1
1080 1 73 GLN H 1 73 GLN HG2 . . 4.060 4.120 3.377 4.562 0.502 18 1 "[ . 1 . + 2]" 1
1081 1 73 GLN H 1 74 ALA H . . 3.600 2.793 2.483 3.025 . 0 0 "[ . 1 . 2]" 1
1082 1 73 GLN H 1 74 ALA MB . . 4.730 4.263 4.050 4.426 . 0 0 "[ . 1 . 2]" 1
1083 1 73 GLN H 1 75 ARG H . . 4.910 4.387 3.809 4.777 . 0 0 "[ . 1 . 2]" 1
1084 1 73 GLN HA 1 73 GLN HB2 . . 2.900 2.906 2.804 2.951 0.051 17 0 "[ . 1 . 2]" 1
1085 1 73 GLN HA 1 73 GLN HB3 . . 3.030 2.850 2.795 2.945 . 0 0 "[ . 1 . 2]" 1
1086 1 73 GLN HA 1 73 GLN HG2 . . 3.750 2.690 1.982 3.471 . 0 0 "[ . 1 . 2]" 1
1087 1 73 GLN HB3 1 74 ALA H . . 3.670 2.757 2.480 3.034 . 0 0 "[ . 1 . 2]" 1
1088 1 73 GLN HB3 1 74 ALA MB . . 3.950 3.964 3.910 4.028 0.078 15 0 "[ . 1 . 2]" 1
1089 1 73 GLN HG3 1 74 ALA H . . 5.050 4.909 4.751 5.266 0.216 19 0 "[ . 1 . 2]" 1
1090 1 74 ALA H 1 74 ALA MB . . 2.940 1.953 1.935 1.995 . 0 0 "[ . 1 . 2]" 1
1091 1 74 ALA H 1 75 ARG H . . 3.480 2.913 2.677 3.200 . 0 0 "[ . 1 . 2]" 1
1092 1 74 ALA H 1 77 ARG HB2 . . 5.100 4.437 4.072 5.107 0.007 13 0 "[ . 1 . 2]" 1
1093 1 74 ALA HA 1 77 ARG H . . 3.810 3.526 3.277 3.810 0.000 14 0 "[ . 1 . 2]" 1
1094 1 74 ALA HA 1 77 ARG HB2 . . 3.420 2.232 1.998 2.849 . 0 0 "[ . 1 . 2]" 1
1095 1 74 ALA MB 1 75 ARG H . . 3.380 2.330 2.144 2.618 . 0 0 "[ . 1 . 2]" 1
1096 1 74 ALA MB 1 75 ARG HA . . 3.430 3.563 3.517 3.632 0.202 12 0 "[ . 1 . 2]" 1
1097 1 75 ARG H 1 75 ARG HB2 . . 3.610 2.123 2.032 2.209 . 0 0 "[ . 1 . 2]" 1
1098 1 75 ARG H 1 75 ARG HB3 . . 3.630 3.027 2.860 3.374 . 0 0 "[ . 1 . 2]" 1
1099 1 75 ARG H 1 75 ARG QD . . 5.070 4.397 3.513 4.676 . 0 0 "[ . 1 . 2]" 1
1100 1 75 ARG H 1 76 LYS H . . 3.440 3.187 2.982 3.332 . 0 0 "[ . 1 . 2]" 1
1101 1 75 ARG HA 1 75 ARG QD . . 4.600 3.942 3.482 4.091 . 0 0 "[ . 1 . 2]" 1
1102 1 75 ARG HA 1 75 ARG HG2 . . 4.090 2.469 1.990 3.263 . 0 0 "[ . 1 . 2]" 1
1103 1 75 ARG HA 1 75 ARG HG3 . . 3.750 2.724 1.980 3.153 . 0 0 "[ . 1 . 2]" 1
1104 1 75 ARG HA 1 78 ALA H . . 4.390 3.296 3.042 3.652 . 0 0 "[ . 1 . 2]" 1
1105 1 75 ARG HA 1 78 ALA MB . . 3.570 2.576 2.270 2.926 . 0 0 "[ . 1 . 2]" 1
1106 1 75 ARG HB2 1 76 LYS H . . 4.510 3.207 2.830 3.516 . 0 0 "[ . 1 . 2]" 1
1107 1 75 ARG HB3 1 75 ARG QD . . 3.640 2.214 1.957 3.007 . 0 0 "[ . 1 . 2]" 1
1108 1 75 ARG HB3 1 76 LYS H . . 3.810 2.067 1.941 2.458 . 0 0 "[ . 1 . 2]" 1
1109 1 76 LYS H 1 76 LYS HB2 . . 3.950 3.316 2.586 3.532 . 0 0 "[ . 1 . 2]" 1
1110 1 76 LYS H 1 76 LYS HB3 . . 3.150 2.250 2.109 2.374 . 0 0 "[ . 1 . 2]" 1
1111 1 76 LYS H 1 76 LYS QG . . 4.570 2.845 2.358 3.920 . 0 0 "[ . 1 . 2]" 1
1112 1 76 LYS HA 1 76 LYS HB2 . . 2.870 2.334 2.282 2.409 . 0 0 "[ . 1 . 2]" 1
1113 1 76 LYS HA 1 76 LYS QG . . 3.880 3.190 2.521 3.395 . 0 0 "[ . 1 . 2]" 1
1114 1 76 LYS HA 1 79 ALA H . . 4.140 3.259 2.952 3.611 . 0 0 "[ . 1 . 2]" 1
1115 1 76 LYS HA 1 79 ALA MB . . 2.870 2.360 1.988 2.772 . 0 0 "[ . 1 . 2]" 1
1116 1 76 LYS HE2 1 76 LYS QG . . 3.900 2.619 1.980 3.311 . 0 0 "[ . 1 . 2]" 1
1117 1 76 LYS QG 1 77 ARG H . . 4.250 2.273 1.865 2.925 . 0 0 "[ . 1 . 2]" 1
1118 1 76 LYS QG 1 77 ARG HG2 . . 3.100 2.816 2.406 3.472 0.372 20 0 "[ . 1 . 2]" 1
1119 1 77 ARG H 1 77 ARG HB2 . . 2.980 2.229 2.112 2.461 . 0 0 "[ . 1 . 2]" 1
1120 1 77 ARG H 1 77 ARG HG2 . . 4.150 2.898 2.225 3.640 . 0 0 "[ . 1 . 2]" 1
1121 1 77 ARG H 1 77 ARG HG3 . . 3.880 3.431 2.879 3.868 . 0 0 "[ . 1 . 2]" 1
1122 1 77 ARG H 1 78 ALA H . . 3.460 2.619 2.320 2.933 . 0 0 "[ . 1 . 2]" 1
1123 1 77 ARG H 1 78 ALA MB . . 4.370 4.177 3.903 4.402 0.032 17 0 "[ . 1 . 2]" 1
1124 1 77 ARG H 1 79 ALA H . . 4.810 4.005 3.662 4.371 . 0 0 "[ . 1 . 2]" 1
1125 1 77 ARG HA 1 77 ARG HD3 . . 4.010 3.038 2.211 4.217 0.207 1 0 "[ . 1 . 2]" 1
1126 1 77 ARG HA 1 77 ARG HG2 . . 3.600 2.350 2.067 2.548 . 0 0 "[ . 1 . 2]" 1
1127 1 77 ARG HA 1 77 ARG HG3 . . 3.680 3.550 3.097 3.711 0.031 18 0 "[ . 1 . 2]" 1
1128 1 77 ARG HB2 1 78 ALA H . . 3.570 2.909 2.496 3.316 . 0 0 "[ . 1 . 2]" 1
1129 1 77 ARG HB2 1 78 ALA MB . . 4.210 4.042 3.858 4.195 . 0 0 "[ . 1 . 2]" 1
1130 1 77 ARG HB2 1 79 ALA H . . 5.110 5.098 4.999 5.157 0.047 20 0 "[ . 1 . 2]" 1
1131 1 78 ALA H 1 78 ALA MB . . 2.990 2.056 1.935 2.220 . 0 0 "[ . 1 . 2]" 1
1132 1 78 ALA H 1 79 ALA H . . 3.480 2.443 2.091 2.865 . 0 0 "[ . 1 . 2]" 1
1133 1 78 ALA H 1 79 ALA MB . . 4.550 4.006 3.650 4.370 . 0 0 "[ . 1 . 2]" 1
1134 1 78 ALA H 1 80 GLN H . . 4.910 3.960 3.685 4.372 . 0 0 "[ . 1 . 2]" 1
1135 1 78 ALA HA 1 81 GLU H . . 4.270 3.073 2.947 3.454 . 0 0 "[ . 1 . 2]" 1
1136 1 78 ALA HA 1 81 GLU HB2 . . 3.920 2.359 1.984 3.629 . 0 0 "[ . 1 . 2]" 1
1137 1 78 ALA HA 1 81 GLU HB3 . . 3.800 3.240 2.216 3.830 0.030 20 0 "[ . 1 . 2]" 1
1138 1 78 ALA MB 1 79 ALA H . . 3.370 2.759 2.468 3.115 . 0 0 "[ . 1 . 2]" 1
1139 1 78 ALA MB 1 81 GLU H . . 4.410 4.417 4.300 4.451 0.041 16 0 "[ . 1 . 2]" 1
1140 1 78 ALA MB 1 82 THR H . . 5.010 4.220 3.886 4.518 . 0 0 "[ . 1 . 2]" 1
1141 1 79 ALA H 1 79 ALA MB . . 2.870 2.071 1.932 2.171 . 0 0 "[ . 1 . 2]" 1
1142 1 79 ALA H 1 80 GLN H . . 3.540 2.696 2.421 3.037 . 0 0 "[ . 1 . 2]" 1
1143 1 79 ALA H 1 81 GLU H . . 5.230 4.177 3.770 4.504 . 0 0 "[ . 1 . 2]" 1
1144 1 79 ALA HA 1 82 THR H . . 4.360 4.005 3.231 4.336 . 0 0 "[ . 1 . 2]" 1
1145 1 79 ALA HA 1 82 THR HB . . 3.570 3.234 2.631 3.562 . 0 0 "[ . 1 . 2]" 1
1146 1 79 ALA HA 1 83 GLU H . . 4.610 4.155 3.389 4.383 . 0 0 "[ . 1 . 2]" 1
1147 1 79 ALA MB 1 80 GLN H . . 3.240 2.778 2.320 3.126 . 0 0 "[ . 1 . 2]" 1
1148 1 79 ALA MB 1 80 GLN HB2 . . 5.500 4.539 4.385 4.690 . 0 0 "[ . 1 . 2]" 1
1149 1 79 ALA MB 1 80 GLN HG3 . . 4.200 3.226 3.033 3.511 . 0 0 "[ . 1 . 2]" 1
1150 1 79 ALA MB 1 83 GLU H . . 5.140 4.872 4.120 5.133 . 0 0 "[ . 1 . 2]" 1
1151 1 79 ALA MB 1 83 GLU HG3 . . 4.530 3.933 3.315 4.341 . 0 0 "[ . 1 . 2]" 1
1152 1 80 GLN H 1 80 GLN HB2 . . 3.590 2.361 2.315 2.498 . 0 0 "[ . 1 . 2]" 1
1153 1 80 GLN H 1 80 GLN HB3 . . 3.410 3.558 3.535 3.595 0.185 4 0 "[ . 1 . 2]" 1
1154 1 80 GLN H 1 80 GLN HG2 . . 4.010 3.623 3.234 3.934 . 0 0 "[ . 1 . 2]" 1
1155 1 80 GLN H 1 80 GLN HG3 . . 3.670 2.527 2.043 2.860 . 0 0 "[ . 1 . 2]" 1
1156 1 80 GLN H 1 81 GLU H . . 3.590 2.458 2.195 2.856 . 0 0 "[ . 1 . 2]" 1
1157 1 80 GLN H 1 82 THR H . . 5.300 4.300 3.904 4.685 . 0 0 "[ . 1 . 2]" 1
1158 1 80 GLN HA 1 80 GLN HB3 . . 2.930 2.573 2.535 2.594 . 0 0 "[ . 1 . 2]" 1
1159 1 80 GLN HA 1 80 GLN HG2 . . 3.280 2.392 2.337 2.457 . 0 0 "[ . 1 . 2]" 1
1160 1 80 GLN HA 1 83 GLU H . . 3.740 3.658 3.440 3.754 0.014 12 0 "[ . 1 . 2]" 1
1161 1 80 GLN HA 1 83 GLU HB2 . . 3.410 2.734 2.455 2.942 . 0 0 "[ . 1 . 2]" 1
1162 1 80 GLN HA 1 83 GLU HG2 . . 4.300 4.251 4.066 4.324 0.024 15 0 "[ . 1 . 2]" 1
1163 1 80 GLN HA 1 83 GLU HG3 . . 4.530 3.523 2.810 4.266 . 0 0 "[ . 1 . 2]" 1
1164 1 80 GLN HB2 1 81 GLU H . . 4.200 2.691 2.494 3.087 . 0 0 "[ . 1 . 2]" 1
1165 1 80 GLN HB3 1 81 GLU H . . 3.690 3.607 3.380 4.016 0.326 18 0 "[ . 1 . 2]" 1
1166 1 80 GLN HG3 1 81 GLU H . . 4.460 4.460 4.392 4.495 0.035 20 0 "[ . 1 . 2]" 1
1167 1 81 GLU H 1 81 GLU HB2 . . 3.420 2.131 2.021 2.912 . 0 0 "[ . 1 . 2]" 1
1168 1 81 GLU H 1 81 GLU HB3 . . 3.380 3.146 2.191 3.389 0.009 12 0 "[ . 1 . 2]" 1
1169 1 81 GLU H 1 81 GLU QG . . 4.170 3.639 3.215 3.798 . 0 0 "[ . 1 . 2]" 1
1170 1 81 GLU H 1 82 THR H . . 3.570 2.926 2.510 3.140 . 0 0 "[ . 1 . 2]" 1
1171 1 81 GLU H 1 83 GLU H . . 4.720 4.424 3.751 4.748 0.028 14 0 "[ . 1 . 2]" 1
1172 1 81 GLU HA 1 81 GLU HB3 . . 2.990 2.900 2.797 3.020 0.030 18 0 "[ . 1 . 2]" 1
1173 1 81 GLU HA 1 81 GLU QG . . 3.730 2.263 2.013 2.662 . 0 0 "[ . 1 . 2]" 1
1174 1 81 GLU HA 1 84 ARG H . . 3.960 3.489 3.193 3.866 . 0 0 "[ . 1 . 2]" 1
1175 1 81 GLU HA 1 84 ARG HB2 . . 3.700 2.392 2.019 3.181 . 0 0 "[ . 1 . 2]" 1
1176 1 81 GLU HA 1 84 ARG HG2 . . 5.020 4.726 4.053 5.109 0.089 10 0 "[ . 1 . 2]" 1
1177 1 81 GLU HA 1 84 ARG HG3 . . 5.160 4.508 3.544 5.168 0.008 7 0 "[ . 1 . 2]" 1
1178 1 81 GLU HA 1 85 LEU H . . 4.620 4.435 4.157 4.647 0.027 15 0 "[ . 1 . 2]" 1
1179 1 81 GLU HA 1 85 LEU QD . . 5.230 4.359 3.478 5.093 . 0 0 "[ . 1 . 2]" 1
1180 1 81 GLU HB2 1 82 THR H . . 3.980 3.095 2.722 3.977 . 0 0 "[ . 1 . 2]" 1
1181 1 81 GLU HB3 1 82 THR H . . 4.050 2.606 2.300 3.073 . 0 0 "[ . 1 . 2]" 1
1182 1 81 GLU QG 1 82 THR H . . 5.160 4.170 2.794 4.527 . 0 0 "[ . 1 . 2]" 1
1183 1 81 GLU QG 1 85 LEU QD . . 4.210 3.725 3.024 4.001 . 0 0 "[ . 1 . 2]" 1
1184 1 82 THR H 1 82 THR HB . . 3.670 2.215 2.011 2.605 . 0 0 "[ . 1 . 2]" 1
1185 1 82 THR H 1 82 THR MG . . 4.210 3.627 3.516 3.673 . 0 0 "[ . 1 . 2]" 1
1186 1 82 THR H 1 83 GLU H . . 3.510 2.949 2.644 3.110 . 0 0 "[ . 1 . 2]" 1
1187 1 82 THR H 1 84 ARG H . . 4.430 4.040 3.698 4.415 . 0 0 "[ . 1 . 2]" 1
1188 1 82 THR HA 1 82 THR MG . . 3.250 2.543 2.263 2.741 . 0 0 "[ . 1 . 2]" 1
1189 1 82 THR HA 1 84 ARG H . . 5.000 4.215 3.730 4.824 . 0 0 "[ . 1 . 2]" 1
1190 1 82 THR HA 1 85 LEU H . . 4.360 3.580 3.361 3.946 . 0 0 "[ . 1 . 2]" 1
1191 1 82 THR HA 1 85 LEU HB2 . . 4.110 3.208 2.943 3.392 . 0 0 "[ . 1 . 2]" 1
1192 1 82 THR HA 1 85 LEU HB3 . . 4.860 4.766 4.373 4.890 0.030 18 0 "[ . 1 . 2]" 1
1193 1 82 THR HA 1 85 LEU QD . . 4.250 3.509 2.816 4.166 . 0 0 "[ . 1 . 2]" 1
1194 1 82 THR HA 1 86 LEU H . . 4.730 4.230 4.023 4.479 . 0 0 "[ . 1 . 2]" 1
1195 1 82 THR HB 1 83 GLU H . . 3.750 2.593 2.259 3.019 . 0 0 "[ . 1 . 2]" 1
1196 1 82 THR HB 1 83 GLU HG2 . . 5.010 3.463 3.098 3.806 . 0 0 "[ . 1 . 2]" 1
1197 1 82 THR MG 1 83 GLU H . . 4.510 2.959 2.347 3.404 . 0 0 "[ . 1 . 2]" 1
1198 1 82 THR MG 1 86 LEU H . . 4.720 4.034 3.655 4.489 . 0 0 "[ . 1 . 2]" 1
1199 1 83 GLU H 1 83 GLU HB2 . . 3.450 2.509 2.323 2.678 . 0 0 "[ . 1 . 2]" 1
1200 1 83 GLU H 1 83 GLU HB3 . . 3.840 3.548 3.535 3.555 . 0 0 "[ . 1 . 2]" 1
1201 1 83 GLU H 1 83 GLU HG2 . . 3.950 2.095 1.955 2.513 . 0 0 "[ . 1 . 2]" 1
1202 1 83 GLU H 1 83 GLU HG3 . . 3.690 3.158 2.564 3.608 . 0 0 "[ . 1 . 2]" 1
1203 1 83 GLU H 1 84 ARG H . . 3.560 2.754 2.477 2.996 . 0 0 "[ . 1 . 2]" 1
1204 1 83 GLU H 1 85 LEU H . . 5.490 4.553 4.359 4.910 . 0 0 "[ . 1 . 2]" 1
1205 1 83 GLU HA 1 83 GLU HG2 . . 3.720 2.697 2.519 3.081 . 0 0 "[ . 1 . 2]" 1
1206 1 83 GLU HA 1 83 GLU HG3 . . 3.870 3.742 3.697 3.780 . 0 0 "[ . 1 . 2]" 1
1207 1 83 GLU HA 1 85 LEU H . . 4.900 4.499 4.236 4.895 . 0 0 "[ . 1 . 2]" 1
1208 1 83 GLU HA 1 86 LEU H . . 3.590 3.334 3.142 3.543 . 0 0 "[ . 1 . 2]" 1
1209 1 83 GLU HA 1 86 LEU HB3 . . 3.370 3.299 3.025 3.752 0.382 15 0 "[ . 1 . 2]" 1
1210 1 83 GLU HA 1 86 LEU MD1 . . 3.200 2.729 2.343 3.117 . 0 0 "[ . 1 . 2]" 1
1211 1 83 GLU HB2 1 84 ARG H . . 3.270 2.863 2.399 3.298 0.028 8 0 "[ . 1 . 2]" 1
1212 1 83 GLU HG2 1 86 LEU MD1 . . 4.640 3.973 3.679 4.624 . 0 0 "[ . 1 . 2]" 1
1213 1 84 ARG H 1 84 ARG HB3 . . 3.450 3.106 2.602 3.387 . 0 0 "[ . 1 . 2]" 1
1214 1 84 ARG H 1 84 ARG HG3 . . 4.520 3.857 3.330 4.483 . 0 0 "[ . 1 . 2]" 1
1215 1 84 ARG H 1 85 LEU H . . 3.420 2.841 2.544 3.204 . 0 0 "[ . 1 . 2]" 1
1216 1 84 ARG H 1 85 LEU QD . . 4.930 4.608 4.241 4.791 . 0 0 "[ . 1 . 2]" 1
1217 1 84 ARG HA 1 84 ARG HG2 . . 4.060 2.840 2.003 3.805 . 0 0 "[ . 1 . 2]" 1
1218 1 84 ARG HA 1 84 ARG HG3 . . 3.150 2.473 1.990 3.447 0.297 12 0 "[ . 1 . 2]" 1
1219 1 84 ARG HB2 1 84 ARG HD2 . . 4.080 2.914 2.039 3.825 . 0 0 "[ . 1 . 2]" 1
1220 1 84 ARG HB2 1 84 ARG HD3 . . 3.820 2.868 2.032 4.034 0.214 13 0 "[ . 1 . 2]" 1
1221 1 84 ARG HB2 1 85 LEU H . . 4.360 3.215 2.860 3.794 . 0 0 "[ . 1 . 2]" 1
1222 1 84 ARG HB3 1 84 ARG HD3 . . 4.110 2.957 1.985 4.117 0.007 6 0 "[ . 1 . 2]" 1
1223 1 84 ARG HB3 1 85 LEU H . . 3.640 2.590 2.126 2.924 . 0 0 "[ . 1 . 2]" 1
1224 1 84 ARG HB3 1 86 LEU H . . 5.250 5.059 4.717 5.252 0.002 16 0 "[ . 1 . 2]" 1
1225 1 85 LEU H 1 85 LEU HB2 . . 3.430 2.121 2.009 2.200 . 0 0 "[ . 1 . 2]" 1
1226 1 85 LEU H 1 85 LEU HB3 . . 3.860 3.421 3.290 3.482 . 0 0 "[ . 1 . 2]" 1
1227 1 85 LEU H 1 85 LEU QD . . 3.900 2.731 2.062 3.221 . 0 0 "[ . 1 . 2]" 1
1228 1 85 LEU H 1 86 LEU H . . 3.380 2.689 2.486 2.901 . 0 0 "[ . 1 . 2]" 1
1229 1 85 LEU H 1 87 LYS H . . 5.170 4.172 3.883 4.686 . 0 0 "[ . 1 . 2]" 1
1230 1 85 LEU HA 1 85 LEU QD . . 2.870 2.150 1.874 2.517 . 0 0 "[ . 1 . 2]" 1
1231 1 85 LEU HA 1 88 GLU H . . 3.780 3.115 2.744 3.442 . 0 0 "[ . 1 . 2]" 1
1232 1 85 LEU HA 1 88 GLU HB2 . . 3.360 2.487 1.975 3.117 . 0 0 "[ . 1 . 2]" 1
1233 1 85 LEU HA 1 89 LEU H . . 4.680 4.062 3.712 4.344 . 0 0 "[ . 1 . 2]" 1
1234 1 85 LEU HB2 1 86 LEU H . . 4.210 2.808 2.639 2.998 . 0 0 "[ . 1 . 2]" 1
1235 1 85 LEU HB3 1 86 LEU H . . 4.330 3.231 2.844 3.543 . 0 0 "[ . 1 . 2]" 1
1236 1 85 LEU QD 1 88 GLU H . . 4.510 4.272 3.989 4.486 . 0 0 "[ . 1 . 2]" 1
1237 1 85 LEU QD 1 88 GLU HB2 . . 3.190 2.838 2.590 3.131 . 0 0 "[ . 1 . 2]" 1
1238 1 86 LEU H 1 86 LEU HB2 . . 3.360 2.012 1.977 2.058 . 0 0 "[ . 1 . 2]" 1
1239 1 86 LEU H 1 86 LEU HB3 . . 3.320 3.275 3.194 3.374 0.054 4 0 "[ . 1 . 2]" 1
1240 1 86 LEU H 1 86 LEU MD1 . . 3.990 3.781 3.354 4.104 0.114 14 0 "[ . 1 . 2]" 1
1241 1 86 LEU H 1 86 LEU HG . . 3.680 3.388 3.160 3.526 . 0 0 "[ . 1 . 2]" 1
1242 1 86 LEU H 1 88 GLU H . . 4.920 4.473 3.923 4.960 0.040 8 0 "[ . 1 . 2]" 1
1243 1 86 LEU HA 1 86 LEU MD2 . . 3.360 2.249 1.951 2.678 . 0 0 "[ . 1 . 2]" 1
1244 1 86 LEU HA 1 86 LEU HG . . 3.800 2.452 2.246 2.709 . 0 0 "[ . 1 . 2]" 1
1245 1 86 LEU HA 1 89 LEU H . . 4.180 3.529 3.135 3.816 . 0 0 "[ . 1 . 2]" 1
1246 1 86 LEU HA 1 89 LEU HB2 . . 4.010 3.055 2.301 3.679 . 0 0 "[ . 1 . 2]" 1
1247 1 86 LEU HA 1 89 LEU HB3 . . 3.570 3.102 2.723 3.581 0.011 16 0 "[ . 1 . 2]" 1
1248 1 86 LEU HA 1 89 LEU QD . . 4.180 3.237 2.842 3.742 . 0 0 "[ . 1 . 2]" 1
1249 1 86 LEU HB2 1 86 LEU HG . . 2.960 2.510 2.361 2.654 . 0 0 "[ . 1 . 2]" 1
1250 1 86 LEU HB2 1 87 LYS H . . 3.980 3.241 2.942 3.515 . 0 0 "[ . 1 . 2]" 1
1251 1 86 LEU HB3 1 86 LEU MD1 . . 3.180 2.477 2.289 2.699 . 0 0 "[ . 1 . 2]" 1
1252 1 86 LEU HB3 1 87 LYS H . . 4.040 3.019 2.503 3.560 . 0 0 "[ . 1 . 2]" 1
1253 1 87 LYS H 1 87 LYS HB2 . . 2.980 2.417 2.114 3.168 0.188 7 0 "[ . 1 . 2]" 1
1254 1 87 LYS H 1 87 LYS HG2 . . 3.850 2.770 2.157 4.010 0.160 8 0 "[ . 1 . 2]" 1
1255 1 87 LYS H 1 87 LYS HG3 . . 3.990 3.265 2.534 4.224 0.234 13 0 "[ . 1 . 2]" 1
1256 1 87 LYS H 1 88 GLU H . . 3.310 2.738 2.270 3.075 . 0 0 "[ . 1 . 2]" 1
1257 1 87 LYS HA 1 87 LYS HB3 . . 2.970 2.597 2.492 2.955 . 0 0 "[ . 1 . 2]" 1
1258 1 87 LYS HA 1 87 LYS HD3 . . 3.760 3.363 2.305 3.979 0.219 8 0 "[ . 1 . 2]" 1
1259 1 87 LYS HA 1 87 LYS HG3 . . 3.930 3.462 2.307 3.721 . 0 0 "[ . 1 . 2]" 1
1260 1 87 LYS HA 1 90 GLU H . . 4.080 3.620 3.380 3.955 . 0 0 "[ . 1 . 2]" 1
1261 1 87 LYS HA 1 90 GLU QB . . 3.490 3.135 2.643 3.461 . 0 0 "[ . 1 . 2]" 1
1262 1 87 LYS HB2 1 88 GLU H . . 3.470 2.735 2.376 4.329 0.859 13 2 "[ . - 1 + . 2]" 1
1263 1 87 LYS HD2 1 87 LYS HE3 . . 2.910 2.556 2.267 2.976 0.066 7 0 "[ . 1 . 2]" 1
1264 1 87 LYS HD2 1 87 LYS HG3 . . 2.720 2.783 2.357 3.031 0.311 1 0 "[ . 1 . 2]" 1
1265 1 87 LYS HG2 1 88 GLU H . . 4.800 4.485 3.285 4.810 0.010 8 0 "[ . 1 . 2]" 1
1266 1 87 LYS HG3 1 88 GLU H . . 4.680 4.608 3.689 4.820 0.140 8 0 "[ . 1 . 2]" 1
1267 1 88 GLU H 1 88 GLU HB2 . . 3.190 2.363 2.037 2.641 . 0 0 "[ . 1 . 2]" 1
1268 1 88 GLU H 1 88 GLU HG2 . . 3.960 2.480 1.971 3.529 . 0 0 "[ . 1 . 2]" 1
1269 1 88 GLU H 1 88 GLU HG3 . . 3.990 3.354 2.681 4.005 0.015 13 0 "[ . 1 . 2]" 1
1270 1 88 GLU HA 1 88 GLU HB3 . . 2.980 2.629 2.438 2.863 . 0 0 "[ . 1 . 2]" 1
1271 1 88 GLU HA 1 88 GLU HG2 . . 4.040 2.513 2.154 2.963 . 0 0 "[ . 1 . 2]" 1
1272 1 88 GLU HA 1 88 GLU HG3 . . 3.840 3.645 3.477 3.772 . 0 0 "[ . 1 . 2]" 1
1273 1 88 GLU HA 1 91 GLN H . . 3.720 3.407 2.883 3.767 0.047 13 0 "[ . 1 . 2]" 1
1274 1 88 GLU HA 1 91 GLN HB2 . . 3.680 2.754 2.191 4.215 0.535 20 1 "[ . 1 . +]" 1
1275 1 88 GLU HA 1 92 ASN H . . 4.560 3.562 3.137 4.190 . 0 0 "[ . 1 . 2]" 1
1276 1 88 GLU HB2 1 88 GLU HG2 . . 2.860 2.683 2.467 2.856 . 0 0 "[ . 1 . 2]" 1
1277 1 88 GLU HB2 1 88 GLU HG3 . . 2.880 2.335 2.264 2.488 . 0 0 "[ . 1 . 2]" 1
1278 1 88 GLU HB2 1 89 LEU H . . 3.580 2.809 2.381 3.588 0.008 13 0 "[ . 1 . 2]" 1
1279 1 88 GLU HG2 1 89 LEU H . . 5.270 4.637 4.299 5.111 . 0 0 "[ . 1 . 2]" 1
1280 1 89 LEU H 1 89 LEU HB2 . . 3.600 2.271 2.115 2.653 . 0 0 "[ . 1 . 2]" 1
1281 1 89 LEU H 1 89 LEU HB3 . . 3.470 2.643 2.416 2.825 . 0 0 "[ . 1 . 2]" 1
1282 1 89 LEU H 1 89 LEU QD . . 4.250 3.511 3.346 3.758 . 0 0 "[ . 1 . 2]" 1
1283 1 89 LEU H 1 89 LEU HG . . 4.560 4.504 4.392 4.560 . 0 0 "[ . 1 . 2]" 1
1284 1 89 LEU H 1 90 GLU H . . 3.650 2.975 2.516 3.280 . 0 0 "[ . 1 . 2]" 1
1285 1 89 LEU H 1 90 GLU QB . . 5.220 4.634 4.374 4.919 . 0 0 "[ . 1 . 2]" 1
1286 1 89 LEU HA 1 89 LEU QD . . 3.090 1.955 1.882 2.137 . 0 0 "[ . 1 . 2]" 1
1287 1 89 LEU HA 1 89 LEU HG . . 3.950 3.116 2.889 3.347 . 0 0 "[ . 1 . 2]" 1
1288 1 89 LEU HA 1 92 ASN H . . 4.400 3.754 3.173 4.193 . 0 0 "[ . 1 . 2]" 1
1289 1 89 LEU HA 1 92 ASN HB2 . . 3.910 2.616 2.177 3.196 . 0 0 "[ . 1 . 2]" 1
1290 1 89 LEU HA 1 92 ASN HB3 . . 4.410 3.806 3.215 4.345 . 0 0 "[ . 1 . 2]" 1
1291 1 89 LEU HB2 1 90 GLU H . . 4.340 3.707 3.479 4.095 . 0 0 "[ . 1 . 2]" 1
1292 1 89 LEU HB3 1 90 GLU H . . 3.680 2.405 2.037 3.045 . 0 0 "[ . 1 . 2]" 1
1293 1 89 LEU QD 1 90 GLU H . . 5.050 3.845 3.341 4.265 . 0 0 "[ . 1 . 2]" 1
1294 1 89 LEU HG 1 90 GLU H . . 4.680 3.826 3.038 4.569 . 0 0 "[ . 1 . 2]" 1
1295 1 89 LEU HG 1 90 GLU HA . . 4.540 3.991 3.337 4.555 0.015 6 0 "[ . 1 . 2]" 1
1296 1 90 GLU H 1 90 GLU QB . . 3.400 2.212 2.021 2.478 . 0 0 "[ . 1 . 2]" 1
1297 1 90 GLU H 1 90 GLU HG2 . . 4.040 3.512 2.498 4.085 0.045 8 0 "[ . 1 . 2]" 1
1298 1 90 GLU H 1 90 GLU HG3 . . 4.100 3.108 2.088 4.313 0.213 8 0 "[ . 1 . 2]" 1
1299 1 90 GLU H 1 91 GLN H . . 3.340 2.925 2.490 3.186 . 0 0 "[ . 1 . 2]" 1
1300 1 90 GLU H 1 92 ASN H . . 5.350 4.567 3.623 4.873 . 0 0 "[ . 1 . 2]" 1
1301 1 90 GLU H 1 93 ALA MB . . 5.250 4.272 4.039 4.442 . 0 0 "[ . 1 . 2]" 1
1302 1 90 GLU HA 1 90 GLU HG2 . . 3.800 2.529 2.004 3.833 0.033 13 0 "[ . 1 . 2]" 1
1303 1 90 GLU HA 1 90 GLU HG3 . . 3.850 3.013 2.557 3.640 . 0 0 "[ . 1 . 2]" 1
1304 1 90 GLU HA 1 92 ASN H . . 5.260 5.056 4.021 5.273 0.013 9 0 "[ . 1 . 2]" 1
1305 1 90 GLU HA 1 93 ALA H . . 4.630 3.708 3.049 3.940 . 0 0 "[ . 1 . 2]" 1
1306 1 90 GLU HA 1 93 ALA MB . . 3.700 2.477 1.958 2.870 . 0 0 "[ . 1 . 2]" 1
1307 1 90 GLU QB 1 91 GLN H . . 3.960 2.608 2.277 3.538 . 0 0 "[ . 1 . 2]" 1
1308 1 90 GLU HG3 1 91 GLN H . . 5.330 4.473 2.359 5.274 . 0 0 "[ . 1 . 2]" 1
1309 1 91 GLN H 1 91 GLN HB2 . . 3.250 2.145 2.020 3.095 . 0 0 "[ . 1 . 2]" 1
1310 1 91 GLN H 1 91 GLN HB3 . . 3.550 3.259 2.188 3.535 . 0 0 "[ . 1 . 2]" 1
1311 1 91 GLN H 1 91 GLN HG3 . . 3.900 3.452 2.489 4.142 0.242 10 0 "[ . 1 . 2]" 1
1312 1 91 GLN H 1 92 ASN H . . 3.310 2.840 2.452 3.053 . 0 0 "[ . 1 . 2]" 1
1313 1 91 GLN HA 1 91 GLN HG3 . . 3.480 2.839 2.035 3.531 0.051 9 0 "[ . 1 . 2]" 1
1314 1 91 GLN HA 1 93 ALA H . . 5.200 4.121 3.699 4.547 . 0 0 "[ . 1 . 2]" 1
1315 1 91 GLN HB2 1 92 ASN H . . 3.720 2.886 2.455 3.942 0.222 20 0 "[ . 1 . 2]" 1
1316 1 92 ASN H 1 92 ASN HB2 . . 3.460 2.219 2.053 2.560 . 0 0 "[ . 1 . 2]" 1
1317 1 92 ASN H 1 92 ASN HB3 . . 3.890 3.465 3.321 3.589 . 0 0 "[ . 1 . 2]" 1
1318 1 92 ASN H 1 92 ASN HD21 . . 4.480 2.896 2.286 3.638 . 0 0 "[ . 1 . 2]" 1
1319 1 92 ASN H 1 93 ALA H . . 3.340 2.827 2.362 3.040 . 0 0 "[ . 1 . 2]" 1
1320 1 92 ASN H 1 93 ALA MB . . 4.500 4.282 3.645 4.413 . 0 0 "[ . 1 . 2]" 1
1321 1 92 ASN H 1 94 SER H . . 5.370 5.263 4.927 5.378 0.008 12 0 "[ . 1 . 2]" 1
1322 1 92 ASN HB2 1 92 ASN HD22 . . 3.980 3.462 3.446 3.542 . 0 0 "[ . 1 . 2]" 1
1323 1 92 ASN HB2 1 93 ALA H . . 4.400 2.993 2.704 4.001 . 0 0 "[ . 1 . 2]" 1
1324 1 92 ASN HB3 1 93 ALA H . . 4.840 3.350 2.675 4.404 . 0 0 "[ . 1 . 2]" 1
1325 1 93 ALA H 1 93 ALA MB . . 3.050 2.007 1.947 2.168 . 0 0 "[ . 1 . 2]" 1
1326 1 93 ALA H 1 94 SER H . . 3.780 3.300 2.903 3.455 . 0 0 "[ . 1 . 2]" 1
1327 1 93 ALA MB 1 94 SER H . . 3.700 1.947 1.904 2.106 . 0 0 "[ . 1 . 2]" 1
1328 1 93 ALA MB 1 94 SER HA . . 4.530 4.116 4.064 4.192 . 0 0 "[ . 1 . 2]" 1
1329 1 93 ALA MB 1 95 GLY H . . 4.880 2.799 2.553 3.350 . 0 0 "[ . 1 . 2]" 1
1330 1 94 SER H 1 94 SER QB . . 3.420 3.013 2.916 3.263 . 0 0 "[ . 1 . 2]" 1
1331 1 94 SER H 1 95 GLY HA2 . . 4.740 4.161 3.756 4.629 . 0 0 "[ . 1 . 2]" 1
1332 1 94 SER HA 1 95 GLY H . . 3.510 3.607 3.577 3.645 0.135 7 0 "[ . 1 . 2]" 1
1333 1 94 SER QB 1 95 GLY H . . 4.000 2.684 1.934 3.473 . 0 0 "[ . 1 . 2]" 1
1334 1 95 GLY H 1 96 PRO HD3 . . 4.970 4.614 4.139 4.823 . 0 0 "[ . 1 . 2]" 1
1335 1 95 GLY HA2 1 96 PRO HD3 . . 3.100 2.101 1.971 2.793 . 0 0 "[ . 1 . 2]" 1
1336 1 95 GLY HA2 1 96 PRO HG3 . . 5.050 4.354 4.243 4.962 . 0 0 "[ . 1 . 2]" 1
1337 1 95 GLY HA3 1 96 PRO HD2 . . 2.940 2.699 2.200 2.876 . 0 0 "[ . 1 . 2]" 1
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