NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
531012 |
2lol   |
18216 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lol
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 1110
_Distance_constraint_stats_list.Viol_count 486
_Distance_constraint_stats_list.Viol_total 100.788
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0207
_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 4 THR 0.020 0.011 2 0 "[ . 1]"
1 5 ASP 0.031 0.015 2 0 "[ . 1]"
1 6 LYS 0.014 0.004 10 0 "[ . 1]"
1 7 ILE 0.114 0.017 3 0 "[ . 1]"
1 8 GLU 0.111 0.032 2 0 "[ . 1]"
1 9 GLN 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 0.122 0.032 2 0 "[ . 1]"
1 11 VAL 0.092 0.041 2 0 "[ . 1]"
1 12 ILE 0.801 0.084 9 0 "[ . 1]"
1 13 GLU 0.803 0.084 9 0 "[ . 1]"
1 14 MET 0.261 0.049 4 0 "[ . 1]"
1 15 VAL 0.213 0.022 2 0 "[ . 1]"
1 16 ALA 0.099 0.028 4 0 "[ . 1]"
1 17 GLU 0.025 0.019 9 0 "[ . 1]"
1 18 LYS 0.623 0.049 4 0 "[ . 1]"
1 19 LEU 0.125 0.030 7 0 "[ . 1]"
1 20 ASN 0.000 0.000 . 0 "[ . 1]"
1 21 LYS 0.892 0.100 10 0 "[ . 1]"
1 22 ASP 0.050 0.027 6 0 "[ . 1]"
1 23 LYS 0.009 0.009 5 0 "[ . 1]"
1 24 ALA 0.051 0.019 2 0 "[ . 1]"
1 25 ILE 0.274 0.100 10 0 "[ . 1]"
1 26 ILE 0.096 0.013 2 0 "[ . 1]"
1 27 THR 0.244 0.056 7 0 "[ . 1]"
1 28 THR 0.356 0.056 7 0 "[ . 1]"
1 29 ASP 0.114 0.018 4 0 "[ . 1]"
1 30 SER 0.000 0.000 . 0 "[ . 1]"
1 31 ARG 0.021 0.013 2 0 "[ . 1]"
1 32 PHE 1.478 0.070 10 0 "[ . 1]"
1 33 ILE 0.496 0.070 10 0 "[ . 1]"
1 34 GLU 0.011 0.011 8 0 "[ . 1]"
1 35 ASP 0.021 0.013 2 0 "[ . 1]"
1 36 LEU 0.491 0.045 10 0 "[ . 1]"
1 37 LYS 0.177 0.059 6 0 "[ . 1]"
1 38 ALA 0.276 0.059 6 0 "[ . 1]"
1 39 ASP 0.000 0.000 . 0 "[ . 1]"
1 40 SER 0.122 0.079 10 0 "[ . 1]"
1 41 LEU 0.123 0.079 10 0 "[ . 1]"
1 42 ASP 0.031 0.022 9 0 "[ . 1]"
1 43 THR 0.117 0.029 10 0 "[ . 1]"
1 44 VAL 0.000 0.000 . 0 "[ . 1]"
1 45 GLU 0.135 0.025 6 0 "[ . 1]"
1 46 LEU 0.072 0.022 9 0 "[ . 1]"
1 47 MET 0.049 0.012 6 0 "[ . 1]"
1 48 MET 0.316 0.027 3 0 "[ . 1]"
1 49 ALA 0.670 0.084 8 0 "[ . 1]"
1 50 ILE 0.505 0.048 8 0 "[ . 1]"
1 51 GLU 0.024 0.012 6 0 "[ . 1]"
1 52 VAL 0.749 0.084 8 0 "[ . 1]"
1 53 GLU 0.020 0.011 1 0 "[ . 1]"
1 54 TYR 0.062 0.025 2 0 "[ . 1]"
1 55 GLY 0.000 0.000 . 0 "[ . 1]"
1 56 ILE 0.020 0.012 2 0 "[ . 1]"
1 57 ASP 0.000 0.000 . 0 "[ . 1]"
1 58 ILE 0.112 0.017 7 0 "[ . 1]"
1 59 PRO 0.025 0.008 2 0 "[ . 1]"
1 60 ASP 0.008 0.008 10 0 "[ . 1]"
1 61 ASP 0.008 0.008 10 0 "[ . 1]"
1 62 GLU 0.083 0.014 2 0 "[ . 1]"
1 63 ALA 0.034 0.014 10 0 "[ . 1]"
1 64 THR 0.315 0.060 3 0 "[ . 1]"
1 65 LYS 0.664 0.104 5 0 "[ . 1]"
1 66 ILE 2.092 0.104 5 0 "[ . 1]"
1 67 LYS 0.379 0.105 2 0 "[ . 1]"
1 68 THR 0.888 0.091 3 0 "[ . 1]"
1 69 VAL 0.468 0.049 3 0 "[ . 1]"
1 70 SER 0.080 0.019 8 0 "[ . 1]"
1 71 ASP 0.413 0.105 2 0 "[ . 1]"
1 72 VAL 0.330 0.049 1 0 "[ . 1]"
1 73 ILE 0.330 0.082 1 0 "[ . 1]"
1 74 LYS 0.116 0.038 4 0 "[ . 1]"
1 75 TYR 0.054 0.017 7 0 "[ . 1]"
1 76 ILE 1.455 0.101 4 0 "[ . 1]"
1 77 LYS 0.135 0.042 6 0 "[ . 1]"
1 78 GLU 0.033 0.013 4 0 "[ . 1]"
1 79 ARG 0.017 0.012 8 0 "[ . 1]"
1 80 GLN 0.081 0.048 2 0 "[ . 1]"
1 81 SER 0.000 0.000 . 0 "[ . 1]"
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 4 THR HA 1 4 THR MG . . 3.490 2.305 2.239 2.409 . 0 0 "[ . 1]" 1
2 1 4 THR HA 1 6 LYS H . . 5.040 4.018 3.773 4.246 . 0 0 "[ . 1]" 1
3 1 4 THR HA 1 7 ILE HB . . 4.420 3.769 3.503 4.236 . 0 0 "[ . 1]" 1
4 1 4 THR HA 1 7 ILE MD . . 4.190 2.209 1.971 2.653 . 0 0 "[ . 1]" 1
5 1 4 THR HA 1 7 ILE HG13 . . 3.620 2.623 2.107 3.094 . 0 0 "[ . 1]" 1
6 1 4 THR HB 1 5 ASP H . . 4.450 3.778 2.910 4.448 . 0 0 "[ . 1]" 1
7 1 4 THR HB 1 5 ASP QB . . 5.310 4.843 4.409 5.278 . 0 0 "[ . 1]" 1
8 1 4 THR HB 1 7 ILE HB . . 5.500 5.164 5.006 5.437 . 0 0 "[ . 1]" 1
9 1 4 THR HB 1 7 ILE MD . . 4.900 4.014 3.889 4.135 . 0 0 "[ . 1]" 1
10 1 4 THR HB 1 7 ILE HG13 . . 5.500 5.263 4.893 5.501 0.001 8 0 "[ . 1]" 1
11 1 4 THR MG 1 5 ASP H . . 5.120 3.857 3.312 4.109 . 0 0 "[ . 1]" 1
12 1 4 THR MG 1 5 ASP HA . . 4.840 4.013 3.634 4.331 . 0 0 "[ . 1]" 1
13 1 4 THR MG 1 6 LYS H . . 5.010 4.891 4.628 5.009 . 0 0 "[ . 1]" 1
14 1 4 THR MG 1 7 ILE H . . 4.030 3.729 3.503 3.957 . 0 0 "[ . 1]" 1
15 1 4 THR MG 1 7 ILE HB . . 4.160 2.516 2.371 2.797 . 0 0 "[ . 1]" 1
16 1 4 THR MG 1 7 ILE MD . . 3.270 1.868 1.790 1.957 . 0 0 "[ . 1]" 1
17 1 4 THR MG 1 7 ILE HG13 . . 3.470 3.134 2.844 3.328 . 0 0 "[ . 1]" 1
18 1 4 THR MG 1 7 ILE MG . . 3.600 3.331 3.173 3.490 . 0 0 "[ . 1]" 1
19 1 4 THR MG 1 8 GLU H . . 4.920 4.178 4.015 4.344 . 0 0 "[ . 1]" 1
20 1 4 THR MG 1 8 GLU HA . . 5.500 5.401 5.292 5.457 . 0 0 "[ . 1]" 1
21 1 4 THR MG 1 73 ILE MD . . 4.330 4.167 3.496 4.341 0.011 2 0 "[ . 1]" 1
22 1 5 ASP H 1 5 ASP QB . . 3.540 2.403 2.143 2.917 . 0 0 "[ . 1]" 1
23 1 5 ASP HA 1 7 ILE H . . 4.930 4.048 3.854 4.256 . 0 0 "[ . 1]" 1
24 1 5 ASP HA 1 7 ILE MD . . 5.500 5.484 5.380 5.515 0.015 2 0 "[ . 1]" 1
25 1 6 LYS H 1 6 LYS HB2 . . 3.620 2.124 2.066 2.167 . 0 0 "[ . 1]" 1
26 1 6 LYS H 1 6 LYS QG . . 3.620 3.216 2.891 3.589 . 0 0 "[ . 1]" 1
27 1 6 LYS H 1 7 ILE H . . 4.070 2.611 2.410 2.746 . 0 0 "[ . 1]" 1
28 1 6 LYS HA 1 6 LYS QD . . 3.290 2.749 2.444 2.972 . 0 0 "[ . 1]" 1
29 1 6 LYS HA 1 6 LYS QG . . 3.470 2.266 2.115 2.393 . 0 0 "[ . 1]" 1
30 1 6 LYS HA 1 9 GLN H . . 3.900 3.561 3.421 3.759 . 0 0 "[ . 1]" 1
31 1 6 LYS HA 1 9 GLN QB . . 3.940 3.477 3.004 3.777 . 0 0 "[ . 1]" 1
32 1 6 LYS HB2 1 7 ILE H . . 5.500 3.277 2.895 3.578 . 0 0 "[ . 1]" 1
33 1 6 LYS HB3 1 6 LYS QD . . 2.590 2.138 2.060 2.285 . 0 0 "[ . 1]" 1
34 1 6 LYS HB3 1 6 LYS QE . . 4.740 3.520 2.474 3.938 . 0 0 "[ . 1]" 1
35 1 6 LYS HB3 1 7 ILE H . . 4.990 3.337 2.900 3.770 . 0 0 "[ . 1]" 1
36 1 6 LYS HB3 1 10 LYS HB2 . . 3.740 3.629 3.363 3.743 0.003 9 0 "[ . 1]" 1
37 1 6 LYS QD 1 10 LYS HB2 . . 3.800 3.426 2.560 3.804 0.004 10 0 "[ . 1]" 1
38 1 7 ILE H 1 7 ILE HB . . 3.200 2.624 2.608 2.670 . 0 0 "[ . 1]" 1
39 1 7 ILE H 1 7 ILE MD . . 4.290 3.515 3.424 3.573 . 0 0 "[ . 1]" 1
40 1 7 ILE H 1 7 ILE HG13 . . 3.450 1.950 1.936 2.002 . 0 0 "[ . 1]" 1
41 1 7 ILE H 1 7 ILE MG . . 3.990 3.765 3.762 3.772 . 0 0 "[ . 1]" 1
42 1 7 ILE H 1 73 ILE MD . . 5.000 4.836 4.330 4.976 . 0 0 "[ . 1]" 1
43 1 7 ILE HA 1 7 ILE MD . . 3.960 3.855 3.840 3.870 . 0 0 "[ . 1]" 1
44 1 7 ILE HA 1 7 ILE HG13 . . 3.690 3.074 2.948 3.210 . 0 0 "[ . 1]" 1
45 1 7 ILE HA 1 7 ILE MG . . 3.350 2.325 2.295 2.382 . 0 0 "[ . 1]" 1
46 1 7 ILE HA 1 10 LYS H . . 4.520 3.175 2.971 3.515 . 0 0 "[ . 1]" 1
47 1 7 ILE HA 1 10 LYS HB2 . . 4.530 2.965 2.355 3.668 . 0 0 "[ . 1]" 1
48 1 7 ILE HA 1 10 LYS HB3 . . 3.770 2.115 1.997 2.494 . 0 0 "[ . 1]" 1
49 1 7 ILE HA 1 73 ILE MD . . 3.990 3.784 3.659 3.937 . 0 0 "[ . 1]" 1
50 1 7 ILE HB 1 7 ILE MD . . 3.100 2.348 2.279 2.405 . 0 0 "[ . 1]" 1
51 1 7 ILE HB 1 7 ILE HG13 . . 2.830 2.481 2.452 2.524 . 0 0 "[ . 1]" 1
52 1 7 ILE HB 1 8 GLU H . . 3.600 2.764 2.624 2.875 . 0 0 "[ . 1]" 1
53 1 7 ILE HB 1 8 GLU HA . . 4.750 4.160 4.115 4.221 . 0 0 "[ . 1]" 1
54 1 7 ILE HB 1 10 LYS QE . . 4.980 4.664 4.446 4.971 . 0 0 "[ . 1]" 1
55 1 7 ILE MD 1 10 LYS QE . . 4.610 4.116 3.916 4.457 . 0 0 "[ . 1]" 1
56 1 7 ILE MD 1 76 ILE MD . . 5.040 4.634 4.159 4.916 . 0 0 "[ . 1]" 1
57 1 7 ILE MD 1 76 ILE MG . . 3.470 3.081 2.790 3.274 . 0 0 "[ . 1]" 1
58 1 7 ILE MD 1 77 LYS HA . . 4.060 4.014 3.720 4.077 0.017 3 0 "[ . 1]" 1
59 1 7 ILE MD 1 80 GLN QE . . 4.790 3.659 3.068 4.178 . 0 0 "[ . 1]" 1
60 1 7 ILE MD 1 80 GLN HG2 . . 4.270 3.939 3.688 4.277 0.007 2 0 "[ . 1]" 1
61 1 7 ILE HG13 1 7 ILE MG . . 3.370 3.188 3.180 3.201 . 0 0 "[ . 1]" 1
62 1 7 ILE MG 1 8 GLU HA . . 4.790 3.799 3.692 3.889 . 0 0 "[ . 1]" 1
63 1 7 ILE MG 1 10 LYS HB3 . . 4.350 3.302 3.022 3.688 . 0 0 "[ . 1]" 1
64 1 7 ILE MG 1 10 LYS QE . . 4.300 3.188 2.469 4.019 . 0 0 "[ . 1]" 1
65 1 7 ILE MG 1 11 VAL HA . . 5.220 4.087 3.866 4.484 . 0 0 "[ . 1]" 1
66 1 7 ILE MG 1 54 TYR QE . . 4.900 2.123 1.961 2.462 . 0 0 "[ . 1]" 1
67 1 7 ILE MG 1 73 ILE HA . . 4.060 3.258 3.140 3.478 . 0 0 "[ . 1]" 1
68 1 7 ILE MG 1 73 ILE MD . . 2.400 1.839 1.790 1.922 . 0 0 "[ . 1]" 1
69 1 7 ILE MG 1 76 ILE HB . . 4.400 3.797 3.641 3.926 . 0 0 "[ . 1]" 1
70 1 7 ILE MG 1 76 ILE MD . . 3.750 3.478 3.180 3.695 . 0 0 "[ . 1]" 1
71 1 7 ILE MG 1 76 ILE MG . . 3.640 3.048 2.793 3.222 . 0 0 "[ . 1]" 1
72 1 8 GLU H 1 8 GLU QB . . 2.970 2.241 2.164 2.456 . 0 0 "[ . 1]" 1
73 1 8 GLU H 1 9 GLN H . . 3.530 2.815 2.605 3.059 . 0 0 "[ . 1]" 1
74 1 8 GLU H 1 10 LYS QE . . 5.340 5.347 5.307 5.372 0.032 2 0 "[ . 1]" 1
75 1 8 GLU H 1 73 ILE MD . . 3.720 3.600 3.343 3.723 0.003 3 0 "[ . 1]" 1
76 1 8 GLU HA 1 73 ILE MD . . 3.430 2.426 2.218 2.548 . 0 0 "[ . 1]" 1
77 1 8 GLU HA 1 73 ILE QG . . 4.450 2.143 1.979 2.526 . 0 0 "[ . 1]" 1
78 1 8 GLU QB 1 9 GLN H . . 3.040 2.423 1.965 2.842 . 0 0 "[ . 1]" 1
79 1 8 GLU QG 1 9 GLN H . . 5.090 3.835 3.370 4.198 . 0 0 "[ . 1]" 1
80 1 9 GLN H 1 9 GLN QB . . 3.200 2.252 2.155 2.341 . 0 0 "[ . 1]" 1
81 1 9 GLN H 1 9 GLN QG . . 5.040 3.489 2.800 4.084 . 0 0 "[ . 1]" 1
82 1 9 GLN H 1 11 VAL H . . 4.950 3.943 3.696 4.152 . 0 0 "[ . 1]" 1
83 1 9 GLN HA 1 9 GLN QG . . 3.500 2.413 2.138 2.722 . 0 0 "[ . 1]" 1
84 1 9 GLN HA 1 12 ILE H . . 4.590 4.115 4.056 4.257 . 0 0 "[ . 1]" 1
85 1 9 GLN HA 1 12 ILE HB . . 4.940 4.864 4.542 4.938 . 0 0 "[ . 1]" 1
86 1 9 GLN HA 1 12 ILE MG . . 4.180 3.925 3.739 4.078 . 0 0 "[ . 1]" 1
87 1 9 GLN QB 1 9 GLN QG . . 2.300 2.038 1.986 2.085 . 0 0 "[ . 1]" 1
88 1 9 GLN QB 1 10 LYS H . . 3.350 3.006 2.893 3.063 . 0 0 "[ . 1]" 1
89 1 9 GLN QG 1 12 ILE MG . . 5.140 4.175 3.014 5.138 . 0 0 "[ . 1]" 1
90 1 10 LYS H 1 10 LYS HB2 . . 3.560 2.527 2.155 2.924 . 0 0 "[ . 1]" 1
91 1 10 LYS H 1 10 LYS HB3 . . 3.400 2.613 2.312 2.983 . 0 0 "[ . 1]" 1
92 1 10 LYS H 1 10 LYS QG . . 4.890 3.949 3.762 4.073 . 0 0 "[ . 1]" 1
93 1 10 LYS H 1 11 VAL H . . 3.640 2.466 2.278 2.598 . 0 0 "[ . 1]" 1
94 1 10 LYS HA 1 10 LYS QD . . 4.360 3.896 3.558 4.089 . 0 0 "[ . 1]" 1
95 1 10 LYS HA 1 10 LYS QE . . 4.730 4.435 4.103 4.619 . 0 0 "[ . 1]" 1
96 1 10 LYS HA 1 11 VAL HA . . 5.270 4.857 4.796 4.905 . 0 0 "[ . 1]" 1
97 1 10 LYS HA 1 12 ILE MG . . 3.640 2.993 2.816 3.179 . 0 0 "[ . 1]" 1
98 1 10 LYS HA 1 13 GLU H . . 4.280 3.296 3.114 3.500 . 0 0 "[ . 1]" 1
99 1 10 LYS HA 1 13 GLU QB . . 4.540 3.297 3.049 3.701 . 0 0 "[ . 1]" 1
100 1 10 LYS HA 1 14 MET H . . 5.020 4.783 4.591 5.003 . 0 0 "[ . 1]" 1
101 1 10 LYS HB2 1 10 LYS QD . . 3.710 2.797 2.202 3.455 . 0 0 "[ . 1]" 1
102 1 10 LYS HB2 1 11 VAL H . . 4.340 4.136 3.818 4.274 . 0 0 "[ . 1]" 1
103 1 10 LYS HB3 1 10 LYS QE . . 3.490 2.217 1.976 2.720 . 0 0 "[ . 1]" 1
104 1 10 LYS QG 1 12 ILE MG . . 5.080 4.308 4.152 4.499 . 0 0 "[ . 1]" 1
105 1 10 LYS QG 1 13 GLU QB . . 4.260 2.690 2.503 3.034 . 0 0 "[ . 1]" 1
106 1 11 VAL H 1 11 VAL HB . . 3.320 2.464 2.413 2.553 . 0 0 "[ . 1]" 1
107 1 11 VAL H 1 11 VAL QG . . 3.280 2.197 2.007 2.326 . 0 0 "[ . 1]" 1
108 1 11 VAL H 1 12 ILE H . . 3.880 2.695 2.572 2.812 . 0 0 "[ . 1]" 1
109 1 11 VAL H 1 13 GLU H . . 4.760 4.326 4.199 4.473 . 0 0 "[ . 1]" 1
110 1 11 VAL HA 1 11 VAL MG1 . . 3.370 3.195 3.191 3.198 . 0 0 "[ . 1]" 1
111 1 11 VAL HA 1 11 VAL QG . . 2.900 2.170 2.107 2.256 . 0 0 "[ . 1]" 1
112 1 11 VAL HA 1 11 VAL MG2 . . 3.370 2.208 2.138 2.306 . 0 0 "[ . 1]" 1
113 1 11 VAL HA 1 14 MET H . . 4.760 3.266 3.074 3.409 . 0 0 "[ . 1]" 1
114 1 11 VAL HA 1 14 MET HA . . 5.500 5.150 4.886 5.304 . 0 0 "[ . 1]" 1
115 1 11 VAL HA 1 14 MET HB2 . . 3.800 3.083 2.770 3.250 . 0 0 "[ . 1]" 1
116 1 11 VAL HA 1 14 MET HB3 . . 4.300 2.662 2.492 2.820 . 0 0 "[ . 1]" 1
117 1 11 VAL HA 1 14 MET HG2 . . 4.310 4.166 3.976 4.304 . 0 0 "[ . 1]" 1
118 1 11 VAL HA 1 14 MET HG3 . . 5.500 5.141 4.934 5.296 . 0 0 "[ . 1]" 1
119 1 11 VAL HA 1 15 VAL MG2 . . 4.060 3.895 3.705 4.070 0.010 7 0 "[ . 1]" 1
120 1 11 VAL HA 1 72 VAL QG . . 4.410 3.755 3.554 3.952 . 0 0 "[ . 1]" 1
121 1 11 VAL HA 1 76 ILE MD . . 5.500 5.464 5.318 5.541 0.041 2 0 "[ . 1]" 1
122 1 11 VAL HB 1 12 ILE H . . 4.090 3.961 3.941 3.975 . 0 0 "[ . 1]" 1
123 1 11 VAL QG 1 12 ILE HA . . 4.890 3.061 3.001 3.114 . 0 0 "[ . 1]" 1
124 1 11 VAL QG 1 14 MET H . . 5.280 3.985 3.814 4.135 . 0 0 "[ . 1]" 1
125 1 12 ILE H 1 12 ILE HB . . 3.060 2.605 2.557 2.648 . 0 0 "[ . 1]" 1
126 1 12 ILE H 1 12 ILE QG . . 4.480 3.976 3.973 3.979 . 0 0 "[ . 1]" 1
127 1 12 ILE H 1 12 ILE MG . . 3.230 1.975 1.937 2.058 . 0 0 "[ . 1]" 1
128 1 12 ILE H 1 13 GLU H . . 3.700 2.646 2.535 2.825 . 0 0 "[ . 1]" 1
129 1 12 ILE H 1 13 GLU QB . . 5.130 4.423 4.322 4.588 . 0 0 "[ . 1]" 1
130 1 12 ILE HA 1 12 ILE QG . . 3.650 2.434 2.427 2.447 . 0 0 "[ . 1]" 1
131 1 12 ILE HA 1 12 ILE MG . . 3.320 3.190 3.188 3.195 . 0 0 "[ . 1]" 1
132 1 12 ILE HA 1 15 VAL HB . . 4.110 3.518 3.368 3.695 . 0 0 "[ . 1]" 1
133 1 12 ILE HA 1 16 ALA MB . . 5.170 4.266 4.079 4.474 . 0 0 "[ . 1]" 1
134 1 12 ILE HA 1 26 ILE MD . . 3.540 3.218 2.899 3.374 . 0 0 "[ . 1]" 1
135 1 12 ILE HA 1 26 ILE MG . . 3.410 2.036 1.956 2.268 . 0 0 "[ . 1]" 1
136 1 12 ILE HB 1 13 GLU H . . 4.120 3.950 3.934 3.964 . 0 0 "[ . 1]" 1
137 1 12 ILE MD 1 13 GLU HA . . 4.550 4.630 4.624 4.634 0.084 9 0 "[ . 1]" 1
138 1 12 ILE MD 1 13 GLU QB . . 4.810 4.739 4.583 4.814 0.004 9 0 "[ . 1]" 1
139 1 12 ILE QG 1 26 ILE MG . . 3.170 2.033 1.918 2.232 . 0 0 "[ . 1]" 1
140 1 12 ILE MG 1 13 GLU H . . 3.830 1.926 1.901 2.025 . 0 0 "[ . 1]" 1
141 1 12 ILE MG 1 13 GLU HA . . 3.820 3.464 3.397 3.503 . 0 0 "[ . 1]" 1
142 1 12 ILE MG 1 13 GLU HG2 . . 5.500 5.109 4.810 5.373 . 0 0 "[ . 1]" 1
143 1 12 ILE MG 1 13 GLU HG3 . . 5.500 4.725 3.737 5.290 . 0 0 "[ . 1]" 1
144 1 12 ILE MG 1 14 MET H . . 5.500 3.980 3.941 4.022 . 0 0 "[ . 1]" 1
145 1 13 GLU H 1 13 GLU HB2 . . 3.290 2.384 2.164 2.603 . 0 0 "[ . 1]" 1
146 1 13 GLU H 1 13 GLU HB3 . . 3.290 2.745 2.488 3.067 . 0 0 "[ . 1]" 1
147 1 13 GLU H 1 13 GLU HG2 . . 5.300 4.552 4.457 4.652 . 0 0 "[ . 1]" 1
148 1 13 GLU H 1 13 GLU QG . . 4.580 3.970 3.723 4.073 . 0 0 "[ . 1]" 1
149 1 13 GLU H 1 13 GLU HG3 . . 5.300 4.383 3.976 4.564 . 0 0 "[ . 1]" 1
150 1 13 GLU H 1 14 MET H . . 3.650 2.451 2.412 2.474 . 0 0 "[ . 1]" 1
151 1 13 GLU H 1 15 VAL H . . 5.180 4.642 4.595 4.689 . 0 0 "[ . 1]" 1
152 1 13 GLU HA 1 16 ALA MB . . 3.320 2.511 2.383 2.667 . 0 0 "[ . 1]" 1
153 1 13 GLU QB 1 13 GLU QG . . 2.260 2.049 1.986 2.086 . 0 0 "[ . 1]" 1
154 1 13 GLU QB 1 14 MET H . . 3.950 2.964 2.897 3.036 . 0 0 "[ . 1]" 1
155 1 13 GLU HB2 1 14 MET H . . 4.660 3.906 3.600 4.123 . 0 0 "[ . 1]" 1
156 1 13 GLU HB3 1 14 MET H . . 4.660 3.077 2.988 3.208 . 0 0 "[ . 1]" 1
157 1 13 GLU QG 1 16 ALA MB . . 4.790 3.808 3.525 4.321 . 0 0 "[ . 1]" 1
158 1 13 GLU HG2 1 16 ALA MB . . 5.500 4.766 3.853 5.502 0.002 6 0 "[ . 1]" 1
159 1 13 GLU HG3 1 16 ALA MB . . 5.500 4.071 3.660 4.518 . 0 0 "[ . 1]" 1
160 1 14 MET H 1 14 MET HB2 . . 3.330 2.572 2.501 2.660 . 0 0 "[ . 1]" 1
161 1 14 MET H 1 14 MET ME . . 5.180 4.875 4.751 5.002 . 0 0 "[ . 1]" 1
162 1 14 MET H 1 14 MET HG2 . . 4.800 4.618 4.596 4.639 . 0 0 "[ . 1]" 1
163 1 14 MET H 1 14 MET HG3 . . 4.460 4.430 4.403 4.453 . 0 0 "[ . 1]" 1
164 1 14 MET H 1 15 VAL H . . 3.660 2.727 2.648 2.790 . 0 0 "[ . 1]" 1
165 1 14 MET H 1 15 VAL HA . . 5.410 5.278 5.211 5.334 . 0 0 "[ . 1]" 1
166 1 14 MET H 1 15 VAL MG2 . . 4.400 4.220 4.104 4.374 . 0 0 "[ . 1]" 1
167 1 14 MET H 1 16 ALA MB . . 4.690 4.273 4.189 4.386 . 0 0 "[ . 1]" 1
168 1 14 MET HA 1 14 MET ME . . 3.270 2.587 2.463 2.718 . 0 0 "[ . 1]" 1
169 1 14 MET HA 1 14 MET HG2 . . 3.980 3.781 3.762 3.802 . 0 0 "[ . 1]" 1
170 1 14 MET HA 1 14 MET HG3 . . 4.040 2.783 2.739 2.850 . 0 0 "[ . 1]" 1
171 1 14 MET HA 1 15 VAL MG2 . . 5.170 4.978 4.893 5.033 . 0 0 "[ . 1]" 1
172 1 14 MET HB2 1 14 MET ME . . 3.750 3.606 3.454 3.691 . 0 0 "[ . 1]" 1
173 1 14 MET HB3 1 15 VAL MG2 . . 3.520 3.046 2.844 3.148 . 0 0 "[ . 1]" 1
174 1 14 MET ME 1 14 MET HG3 . . 3.460 2.015 1.997 2.052 . 0 0 "[ . 1]" 1
175 1 14 MET ME 1 15 VAL H . . 4.860 4.725 4.577 4.875 0.015 2 0 "[ . 1]" 1
176 1 14 MET ME 1 15 VAL HA . . 4.830 4.608 4.402 4.768 . 0 0 "[ . 1]" 1
177 1 14 MET ME 1 17 GLU H . . 4.640 4.233 4.104 4.403 . 0 0 "[ . 1]" 1
178 1 14 MET ME 1 49 ALA HA . . 4.920 4.833 4.477 4.926 0.006 6 0 "[ . 1]" 1
179 1 14 MET ME 1 49 ALA MB . . 3.340 3.265 3.046 3.334 . 0 0 "[ . 1]" 1
180 1 14 MET ME 1 50 ILE H . . 4.150 4.008 3.882 4.154 0.004 10 0 "[ . 1]" 1
181 1 14 MET ME 1 50 ILE HA . . 3.170 2.108 1.964 2.395 . 0 0 "[ . 1]" 1
182 1 14 MET ME 1 50 ILE MD . . 2.990 1.893 1.811 2.185 . 0 0 "[ . 1]" 1
183 1 14 MET ME 1 50 ILE HG12 . . 3.880 3.638 3.487 3.855 . 0 0 "[ . 1]" 1
184 1 14 MET ME 1 53 GLU QB . . 2.700 1.971 1.919 2.096 . 0 0 "[ . 1]" 1
185 1 14 MET ME 1 53 GLU QG . . 3.040 1.938 1.874 2.201 . 0 0 "[ . 1]" 1
186 1 14 MET ME 1 54 TYR H . . 4.070 3.981 3.870 4.043 . 0 0 "[ . 1]" 1
187 1 14 MET ME 1 54 TYR HA . . 5.500 5.436 5.294 5.525 0.025 2 0 "[ . 1]" 1
188 1 14 MET ME 1 54 TYR HB2 . . 5.480 4.984 4.773 5.098 . 0 0 "[ . 1]" 1
189 1 14 MET ME 1 54 TYR QD . . 4.410 4.066 3.695 4.243 . 0 0 "[ . 1]" 1
190 1 14 MET ME 1 54 TYR QE . . 4.470 4.269 3.946 4.412 . 0 0 "[ . 1]" 1
191 1 14 MET HG2 1 15 VAL HA . . 5.220 4.752 4.612 4.884 . 0 0 "[ . 1]" 1
192 1 14 MET HG2 1 15 VAL MG2 . . 4.230 3.939 3.845 4.033 . 0 0 "[ . 1]" 1
193 1 14 MET HG2 1 18 LYS HG3 . . 5.500 5.518 5.497 5.549 0.049 4 0 "[ . 1]" 1
194 1 14 MET HG3 1 18 LYS HA . . 5.170 5.003 4.865 5.124 . 0 0 "[ . 1]" 1
195 1 14 MET HG3 1 18 LYS HB2 . . 4.490 3.079 2.962 3.131 . 0 0 "[ . 1]" 1
196 1 14 MET HG3 1 50 ILE MD . . 4.380 2.048 2.016 2.129 . 0 0 "[ . 1]" 1
197 1 15 VAL H 1 15 VAL HB . . 3.240 2.584 2.566 2.606 . 0 0 "[ . 1]" 1
198 1 15 VAL H 1 15 VAL MG1 . . 3.770 3.764 3.763 3.765 . 0 0 "[ . 1]" 1
199 1 15 VAL H 1 15 VAL MG2 . . 3.360 2.112 1.922 2.249 . 0 0 "[ . 1]" 1
200 1 15 VAL H 1 16 ALA H . . 3.750 2.718 2.677 2.798 . 0 0 "[ . 1]" 1
201 1 15 VAL H 1 16 ALA MB . . 4.790 4.354 4.277 4.409 . 0 0 "[ . 1]" 1
202 1 15 VAL H 1 17 GLU H . . 5.040 4.175 4.099 4.232 . 0 0 "[ . 1]" 1
203 1 15 VAL HA 1 15 VAL MG1 . . 3.220 2.334 2.283 2.394 . 0 0 "[ . 1]" 1
204 1 15 VAL HA 1 15 VAL MG2 . . 3.200 2.326 2.278 2.443 . 0 0 "[ . 1]" 1
205 1 15 VAL HA 1 16 ALA MB . . 5.500 4.984 4.962 5.015 . 0 0 "[ . 1]" 1
206 1 15 VAL HA 1 18 LYS H . . 5.500 3.100 2.907 3.189 . 0 0 "[ . 1]" 1
207 1 15 VAL HA 1 18 LYS HB2 . . 5.120 2.846 2.587 3.007 . 0 0 "[ . 1]" 1
208 1 15 VAL HA 1 18 LYS HG3 . . 5.200 4.283 4.008 4.565 . 0 0 "[ . 1]" 1
209 1 15 VAL HA 1 32 PHE QE . . 5.030 4.989 4.711 5.046 0.016 7 0 "[ . 1]" 1
210 1 15 VAL HB 1 16 ALA H . . 3.460 2.941 2.650 3.022 . 0 0 "[ . 1]" 1
211 1 15 VAL HB 1 21 LYS HB3 . . 4.860 4.699 4.598 4.862 0.002 3 0 "[ . 1]" 1
212 1 15 VAL MG1 1 16 ALA H . . 4.020 3.712 3.462 3.805 . 0 0 "[ . 1]" 1
213 1 15 VAL MG1 1 16 ALA HA . . 3.950 3.648 3.443 3.771 . 0 0 "[ . 1]" 1
214 1 15 VAL MG1 1 17 GLU H . . 5.500 4.771 4.577 4.858 . 0 0 "[ . 1]" 1
215 1 15 VAL MG1 1 21 LYS H . . 5.230 4.310 4.036 4.423 . 0 0 "[ . 1]" 1
216 1 15 VAL MG1 1 21 LYS HB2 . . 4.730 3.152 3.044 3.264 . 0 0 "[ . 1]" 1
217 1 15 VAL MG1 1 21 LYS HB3 . . 4.880 3.111 2.958 3.238 . 0 0 "[ . 1]" 1
218 1 15 VAL MG1 1 21 LYS QD . . 4.820 3.803 2.960 4.713 . 0 0 "[ . 1]" 1
219 1 15 VAL MG1 1 26 ILE MD . . 3.010 2.340 2.212 2.437 . 0 0 "[ . 1]" 1
220 1 15 VAL MG1 1 32 PHE H . . 5.380 5.076 4.427 5.305 . 0 0 "[ . 1]" 1
221 1 15 VAL MG1 1 32 PHE QE . . 3.750 2.637 2.328 2.992 . 0 0 "[ . 1]" 1
222 1 15 VAL MG2 1 16 ALA H . . 4.120 3.934 3.813 3.989 . 0 0 "[ . 1]" 1
223 1 15 VAL MG2 1 26 ILE HA . . 5.230 5.186 5.098 5.243 0.013 2 0 "[ . 1]" 1
224 1 15 VAL MG2 1 26 ILE MD . . 3.820 3.602 3.496 3.708 . 0 0 "[ . 1]" 1
225 1 15 VAL MG2 1 26 ILE MG . . 3.760 3.618 3.489 3.771 0.011 6 0 "[ . 1]" 1
226 1 15 VAL MG2 1 32 PHE QE . . 3.810 3.759 3.615 3.816 0.006 7 0 "[ . 1]" 1
227 1 15 VAL MG2 1 69 VAL H . . 4.300 4.292 4.219 4.322 0.022 2 0 "[ . 1]" 1
228 1 15 VAL MG2 1 69 VAL MG1 . . 4.320 3.343 2.762 3.818 . 0 0 "[ . 1]" 1
229 1 15 VAL MG2 1 69 VAL MG2 . . 2.810 2.203 1.945 2.510 . 0 0 "[ . 1]" 1
230 1 16 ALA H 1 16 ALA MB . . 3.180 2.179 2.044 2.257 . 0 0 "[ . 1]" 1
231 1 16 ALA H 1 17 GLU H . . 3.760 2.515 2.439 2.688 . 0 0 "[ . 1]" 1
232 1 16 ALA H 1 18 LYS H . . 5.500 3.827 3.728 3.940 . 0 0 "[ . 1]" 1
233 1 16 ALA H 1 21 LYS HB2 . . 5.500 5.479 5.331 5.528 0.028 4 0 "[ . 1]" 1
234 1 16 ALA H 1 26 ILE MD . . 3.850 2.745 2.337 2.943 . 0 0 "[ . 1]" 1
235 1 16 ALA HA 1 20 ASN HA . . 5.150 4.304 4.216 4.439 . 0 0 "[ . 1]" 1
236 1 16 ALA HA 1 21 LYS H . . 4.090 2.364 2.156 2.656 . 0 0 "[ . 1]" 1
237 1 16 ALA HA 1 21 LYS HB2 . . 3.600 3.319 3.110 3.488 . 0 0 "[ . 1]" 1
238 1 16 ALA HA 1 21 LYS HB3 . . 3.610 2.639 2.459 2.772 . 0 0 "[ . 1]" 1
239 1 16 ALA HA 1 26 ILE MD . . 3.320 2.125 1.970 2.297 . 0 0 "[ . 1]" 1
240 1 16 ALA HA 1 26 ILE QG . . 4.860 3.817 3.710 3.958 . 0 0 "[ . 1]" 1
241 1 16 ALA MB 1 17 GLU H . . 3.530 2.933 2.902 2.991 . 0 0 "[ . 1]" 1
242 1 16 ALA MB 1 17 GLU HA . . 4.020 3.997 3.939 4.022 0.002 2 0 "[ . 1]" 1
243 1 16 ALA MB 1 17 GLU HB2 . . 3.810 3.767 3.675 3.829 0.019 9 0 "[ . 1]" 1
244 1 16 ALA MB 1 20 ASN HA . . 5.200 4.563 4.507 4.615 . 0 0 "[ . 1]" 1
245 1 16 ALA MB 1 22 ASP HA . . 4.120 3.944 3.695 4.095 . 0 0 "[ . 1]" 1
246 1 16 ALA MB 1 23 LYS H . . 4.970 4.102 3.961 4.275 . 0 0 "[ . 1]" 1
247 1 16 ALA MB 1 23 LYS HA . . 3.940 3.524 3.276 3.938 . 0 0 "[ . 1]" 1
248 1 16 ALA MB 1 26 ILE MD . . 3.140 2.090 1.934 2.322 . 0 0 "[ . 1]" 1
249 1 16 ALA MB 1 26 ILE QG . . 3.910 2.624 2.421 3.024 . 0 0 "[ . 1]" 1
250 1 16 ALA MB 1 26 ILE MG . . 4.370 3.953 3.759 4.321 . 0 0 "[ . 1]" 1
251 1 17 GLU H 1 17 GLU HB2 . . 3.060 2.542 2.515 2.570 . 0 0 "[ . 1]" 1
252 1 17 GLU H 1 18 LYS H . . 3.610 2.060 2.032 2.090 . 0 0 "[ . 1]" 1
253 1 17 GLU H 1 18 LYS HA . . 4.970 4.702 4.671 4.745 . 0 0 "[ . 1]" 1
254 1 17 GLU H 1 50 ILE MD . . 5.500 4.954 4.841 5.109 . 0 0 "[ . 1]" 1
255 1 17 GLU HA 1 17 GLU QG . . 3.710 2.433 2.163 2.733 . 0 0 "[ . 1]" 1
256 1 17 GLU HA 1 20 ASN HA . . 4.100 3.090 2.897 3.243 . 0 0 "[ . 1]" 1
257 1 17 GLU HB2 1 17 GLU QG . . 2.410 2.348 2.142 2.414 0.004 4 0 "[ . 1]" 1
258 1 17 GLU HB2 1 18 LYS H . . 3.890 3.804 3.706 3.870 . 0 0 "[ . 1]" 1
259 1 18 LYS H 1 18 LYS HB2 . . 3.220 2.511 2.416 2.559 . 0 0 "[ . 1]" 1
260 1 18 LYS H 1 18 LYS HG3 . . 5.200 4.561 4.516 4.604 . 0 0 "[ . 1]" 1
261 1 18 LYS H 1 19 LEU H . . 3.720 2.825 2.690 2.938 . 0 0 "[ . 1]" 1
262 1 18 LYS H 1 20 ASN H . . 5.460 3.628 3.537 3.749 . 0 0 "[ . 1]" 1
263 1 18 LYS HA 1 18 LYS QD . . 4.100 3.752 3.465 4.111 0.011 4 0 "[ . 1]" 1
264 1 18 LYS HA 1 18 LYS HG3 . . 3.900 3.329 2.942 3.523 . 0 0 "[ . 1]" 1
265 1 18 LYS HA 1 50 ILE MD . . 3.660 3.149 2.936 3.372 . 0 0 "[ . 1]" 1
266 1 18 LYS HA 1 50 ILE HG12 . . 3.950 3.899 3.684 3.971 0.021 4 0 "[ . 1]" 1
267 1 18 LYS HB2 1 19 LEU H . . 3.930 3.686 3.659 3.717 . 0 0 "[ . 1]" 1
268 1 18 LYS HB2 1 50 ILE HA . . 4.900 4.910 4.879 4.948 0.048 10 0 "[ . 1]" 1
269 1 18 LYS HB2 1 50 ILE MD . . 3.050 1.920 1.885 2.006 . 0 0 "[ . 1]" 1
270 1 18 LYS HB2 1 50 ILE HG12 . . 3.420 3.416 3.354 3.441 0.021 6 0 "[ . 1]" 1
271 1 18 LYS HB3 1 19 LEU H . . 4.360 2.259 2.218 2.315 . 0 0 "[ . 1]" 1
272 1 18 LYS HB3 1 50 ILE HG12 . . 4.680 4.689 4.645 4.728 0.048 8 0 "[ . 1]" 1
273 1 18 LYS QD 1 19 LEU H . . 3.490 2.916 2.588 3.374 . 0 0 "[ . 1]" 1
274 1 18 LYS HG3 1 19 LEU H . . 4.720 4.660 4.604 4.729 0.009 2 0 "[ . 1]" 1
275 1 18 LYS HG3 1 50 ILE H . . 4.930 4.345 3.812 4.728 . 0 0 "[ . 1]" 1
276 1 18 LYS HG3 1 50 ILE HA . . 5.200 4.924 4.701 5.044 . 0 0 "[ . 1]" 1
277 1 18 LYS HG3 1 50 ILE HB . . 4.610 4.408 4.306 4.460 . 0 0 "[ . 1]" 1
278 1 18 LYS HG3 1 50 ILE MD . . 3.960 2.319 2.250 2.415 . 0 0 "[ . 1]" 1
279 1 19 LEU H 1 19 LEU QB . . 3.480 2.400 2.376 2.415 . 0 0 "[ . 1]" 1
280 1 19 LEU H 1 19 LEU MD1 . . 4.610 4.271 4.254 4.294 . 0 0 "[ . 1]" 1
281 1 19 LEU H 1 19 LEU MD2 . . 5.020 3.813 3.734 3.877 . 0 0 "[ . 1]" 1
282 1 19 LEU H 1 19 LEU HG . . 5.010 4.830 4.807 4.843 . 0 0 "[ . 1]" 1
283 1 19 LEU H 1 20 ASN H . . 3.440 2.404 2.355 2.419 . 0 0 "[ . 1]" 1
284 1 19 LEU H 1 21 LYS H . . 4.990 3.531 3.273 3.791 . 0 0 "[ . 1]" 1
285 1 19 LEU H 1 46 LEU QD . . 5.440 4.425 4.239 4.802 . 0 0 "[ . 1]" 1
286 1 19 LEU HA 1 19 LEU MD1 . . 3.520 2.065 2.008 2.111 . 0 0 "[ . 1]" 1
287 1 19 LEU HA 1 19 LEU MD2 . . 3.460 2.166 2.106 2.245 . 0 0 "[ . 1]" 1
288 1 19 LEU QB 1 20 ASN H . . 4.200 3.656 3.630 3.661 . 0 0 "[ . 1]" 1
289 1 19 LEU QB 1 21 LYS HB2 . . 4.420 3.157 2.949 3.396 . 0 0 "[ . 1]" 1
290 1 19 LEU QB 1 32 PHE HB2 . . 4.680 2.969 2.111 3.451 . 0 0 "[ . 1]" 1
291 1 19 LEU QB 1 38 ALA MB . . 5.010 4.492 4.023 4.800 . 0 0 "[ . 1]" 1
292 1 19 LEU MD1 1 20 ASN H . . 4.580 4.230 4.184 4.310 . 0 0 "[ . 1]" 1
293 1 19 LEU MD1 1 21 LYS H . . 5.450 5.157 4.793 5.480 0.030 7 0 "[ . 1]" 1
294 1 19 LEU MD1 1 32 PHE HB2 . . 4.830 3.070 2.892 3.388 . 0 0 "[ . 1]" 1
295 1 19 LEU MD1 1 36 LEU HB2 . . 4.980 3.821 3.287 4.499 . 0 0 "[ . 1]" 1
296 1 19 LEU MD1 1 38 ALA H . . 5.500 4.448 3.731 4.964 . 0 0 "[ . 1]" 1
297 1 19 LEU MD1 1 38 ALA HA . . 4.850 3.518 2.614 4.045 . 0 0 "[ . 1]" 1
298 1 19 LEU MD1 1 38 ALA MB . . 3.260 2.440 1.980 2.680 . 0 0 "[ . 1]" 1
299 1 19 LEU MD1 1 39 ASP H . . 5.500 4.955 3.927 5.397 . 0 0 "[ . 1]" 1
300 1 19 LEU MD1 1 43 THR HA . . 5.430 5.014 4.711 5.261 . 0 0 "[ . 1]" 1
301 1 19 LEU MD2 1 20 ASN H . . 4.920 4.740 4.718 4.769 . 0 0 "[ . 1]" 1
302 1 19 LEU MD2 1 32 PHE QD . . 5.430 2.845 2.548 3.116 . 0 0 "[ . 1]" 1
303 1 19 LEU MD2 1 32 PHE QE . . 5.350 2.883 2.695 3.210 . 0 0 "[ . 1]" 1
304 1 19 LEU MD2 1 38 ALA HA . . 5.470 4.432 3.921 4.902 . 0 0 "[ . 1]" 1
305 1 19 LEU MD2 1 38 ALA MB . . 3.410 2.389 1.938 2.736 . 0 0 "[ . 1]" 1
306 1 19 LEU MD2 1 42 ASP QB . . 5.130 4.515 4.015 4.829 . 0 0 "[ . 1]" 1
307 1 19 LEU MD2 1 43 THR H . . 5.200 5.094 4.754 5.229 0.029 10 0 "[ . 1]" 1
308 1 19 LEU MD2 1 43 THR HA . . 3.850 3.424 3.267 3.703 . 0 0 "[ . 1]" 1
309 1 19 LEU MD2 1 46 LEU HA . . 4.780 4.346 4.158 4.716 . 0 0 "[ . 1]" 1
310 1 19 LEU MD2 1 46 LEU HB3 . . 4.650 2.171 1.973 2.555 . 0 0 "[ . 1]" 1
311 1 19 LEU MD2 1 47 MET HG2 . . 4.160 3.839 3.498 4.147 . 0 0 "[ . 1]" 1
312 1 19 LEU MD2 1 47 MET HG3 . . 5.170 4.147 3.668 4.607 . 0 0 "[ . 1]" 1
313 1 19 LEU HG 1 32 PHE HA . . 5.500 4.715 4.325 5.286 . 0 0 "[ . 1]" 1
314 1 19 LEU HG 1 32 PHE HB2 . . 4.660 2.182 1.991 2.765 . 0 0 "[ . 1]" 1
315 1 19 LEU HG 1 32 PHE QD . . 4.560 2.284 1.998 2.457 . 0 0 "[ . 1]" 1
316 1 19 LEU HG 1 36 LEU HB2 . . 5.500 4.478 3.877 5.241 . 0 0 "[ . 1]" 1
317 1 19 LEU HG 1 38 ALA MB . . 3.520 3.150 2.599 3.489 . 0 0 "[ . 1]" 1
318 1 20 ASN H 1 21 LYS H . . 3.650 2.916 2.814 3.049 . 0 0 "[ . 1]" 1
319 1 20 ASN HA 1 21 LYS H . . 3.530 2.630 2.501 2.780 . 0 0 "[ . 1]" 1
320 1 21 LYS H 1 21 LYS HB2 . . 3.750 2.431 2.247 2.611 . 0 0 "[ . 1]" 1
321 1 21 LYS H 1 21 LYS HB3 . . 4.110 2.956 2.883 3.032 . 0 0 "[ . 1]" 1
322 1 21 LYS H 1 26 ILE MD . . 5.070 3.789 3.593 3.941 . 0 0 "[ . 1]" 1
323 1 21 LYS HA 1 21 LYS QD . . 4.060 2.854 2.037 3.708 . 0 0 "[ . 1]" 1
324 1 21 LYS HA 1 21 LYS QE . . 4.620 3.761 2.022 4.652 0.032 7 0 "[ . 1]" 1
325 1 21 LYS HA 1 22 ASP H . . 3.180 2.143 2.140 2.148 . 0 0 "[ . 1]" 1
326 1 21 LYS HA 1 25 ILE MD . . 5.040 3.648 3.089 5.140 0.100 10 0 "[ . 1]" 1
327 1 21 LYS HA 1 25 ILE MG . . 4.260 4.134 3.858 4.271 0.011 4 0 "[ . 1]" 1
328 1 21 LYS HA 1 32 PHE HB3 . . 5.500 5.521 5.490 5.557 0.057 10 0 "[ . 1]" 1
329 1 21 LYS HB2 1 26 ILE HA . . 5.500 5.069 4.992 5.153 . 0 0 "[ . 1]" 1
330 1 21 LYS HB2 1 26 ILE MD . . 4.540 3.275 3.158 3.373 . 0 0 "[ . 1]" 1
331 1 21 LYS HB2 1 32 PHE HB3 . . 5.500 4.084 3.370 4.400 . 0 0 "[ . 1]" 1
332 1 21 LYS HB3 1 22 ASP H . . 4.070 3.917 3.828 4.003 . 0 0 "[ . 1]" 1
333 1 21 LYS HB3 1 22 ASP HA . . 5.120 5.023 4.958 5.121 0.001 4 0 "[ . 1]" 1
334 1 21 LYS HB3 1 26 ILE H . . 4.420 4.352 4.197 4.432 0.012 4 0 "[ . 1]" 1
335 1 21 LYS HB3 1 26 ILE HA . . 4.060 3.775 3.735 3.817 . 0 0 "[ . 1]" 1
336 1 21 LYS HB3 1 26 ILE MD . . 4.540 1.967 1.885 2.078 . 0 0 "[ . 1]" 1
337 1 21 LYS HB3 1 26 ILE QG . . 3.490 3.488 3.454 3.502 0.012 9 0 "[ . 1]" 1
338 1 21 LYS HB3 1 27 THR H . . 5.500 5.512 5.462 5.533 0.033 6 0 "[ . 1]" 1
339 1 21 LYS HB3 1 32 PHE HB3 . . 5.500 5.314 4.621 5.539 0.039 10 0 "[ . 1]" 1
340 1 21 LYS QD 1 25 ILE MG . . 3.380 2.798 2.149 3.309 . 0 0 "[ . 1]" 1
341 1 21 LYS QD 1 36 LEU HB2 . . 4.510 3.899 2.859 4.506 . 0 0 "[ . 1]" 1
342 1 21 LYS QE 1 25 ILE MD . . 4.960 4.248 3.159 4.995 0.035 10 0 "[ . 1]" 1
343 1 21 LYS QE 1 25 ILE MG . . 4.130 2.458 1.877 3.675 . 0 0 "[ . 1]" 1
344 1 21 LYS QE 1 36 LEU HB2 . . 5.270 3.406 2.501 4.686 . 0 0 "[ . 1]" 1
345 1 21 LYS QE 1 36 LEU QD . . 4.310 2.820 1.848 4.277 . 0 0 "[ . 1]" 1
346 1 21 LYS QG 1 22 ASP H . . 3.600 2.978 2.809 3.148 . 0 0 "[ . 1]" 1
347 1 21 LYS QG 1 25 ILE HA . . 4.880 4.383 4.141 4.514 . 0 0 "[ . 1]" 1
348 1 21 LYS QG 1 25 ILE HB . . 4.150 2.035 1.923 2.189 . 0 0 "[ . 1]" 1
349 1 21 LYS QG 1 25 ILE MG . . 3.060 1.964 1.893 2.117 . 0 0 "[ . 1]" 1
350 1 21 LYS QG 1 26 ILE H . . 4.940 3.828 3.472 4.116 . 0 0 "[ . 1]" 1
351 1 21 LYS QG 1 26 ILE HA . . 4.680 3.361 3.093 3.599 . 0 0 "[ . 1]" 1
352 1 22 ASP H 1 22 ASP HB3 . . 2.970 2.958 2.896 2.997 0.027 6 0 "[ . 1]" 1
353 1 22 ASP H 1 23 LYS H . . 4.810 4.638 4.632 4.645 . 0 0 "[ . 1]" 1
354 1 22 ASP H 1 25 ILE MD . . 4.590 2.462 1.913 4.276 . 0 0 "[ . 1]" 1
355 1 22 ASP H 1 25 ILE MG . . 4.750 4.169 3.950 4.379 . 0 0 "[ . 1]" 1
356 1 22 ASP H 1 26 ILE MD . . 4.870 4.685 4.558 4.872 0.002 10 0 "[ . 1]" 1
357 1 22 ASP HA 1 23 LYS H . . 3.190 2.282 2.242 2.322 . 0 0 "[ . 1]" 1
358 1 22 ASP HA 1 23 LYS HA . . 5.500 4.304 4.296 4.311 . 0 0 "[ . 1]" 1
359 1 22 ASP HA 1 23 LYS QB . . 4.830 4.399 4.270 4.487 . 0 0 "[ . 1]" 1
360 1 22 ASP HA 1 23 LYS QG . . 5.340 4.311 3.932 5.312 . 0 0 "[ . 1]" 1
361 1 22 ASP HA 1 24 ALA H . . 4.520 3.958 3.854 4.153 . 0 0 "[ . 1]" 1
362 1 22 ASP HB3 1 23 LYS H . . 4.580 3.476 3.328 3.603 . 0 0 "[ . 1]" 1
363 1 22 ASP HB3 1 24 ALA H . . 4.360 2.624 2.421 2.728 . 0 0 "[ . 1]" 1
364 1 22 ASP HB3 1 24 ALA MB . . 3.610 3.127 2.960 3.263 . 0 0 "[ . 1]" 1
365 1 22 ASP HB3 1 25 ILE H . . 4.930 3.045 2.724 3.231 . 0 0 "[ . 1]" 1
366 1 22 ASP HB3 1 25 ILE MD . . 4.350 2.260 1.892 3.480 . 0 0 "[ . 1]" 1
367 1 22 ASP HB3 1 25 ILE QG . . 4.250 2.749 1.967 3.976 . 0 0 "[ . 1]" 1
368 1 23 LYS H 1 23 LYS QB . . 3.310 2.414 2.212 2.580 . 0 0 "[ . 1]" 1
369 1 23 LYS H 1 23 LYS QG . . 3.620 2.413 1.969 3.416 . 0 0 "[ . 1]" 1
370 1 23 LYS H 1 24 ALA H . . 3.930 2.673 2.659 2.726 . 0 0 "[ . 1]" 1
371 1 23 LYS HA 1 23 LYS QE . . 5.340 4.551 4.080 5.349 0.009 5 0 "[ . 1]" 1
372 1 23 LYS HA 1 25 ILE H . . 5.020 3.557 3.492 3.845 . 0 0 "[ . 1]" 1
373 1 23 LYS HA 1 26 ILE H . . 4.900 3.215 3.034 3.316 . 0 0 "[ . 1]" 1
374 1 23 LYS HA 1 26 ILE MD . . 3.910 3.560 3.491 3.657 . 0 0 "[ . 1]" 1
375 1 23 LYS HA 1 26 ILE QG . . 3.820 2.024 1.968 2.161 . 0 0 "[ . 1]" 1
376 1 23 LYS QB 1 24 ALA H . . 4.110 3.461 2.797 3.657 . 0 0 "[ . 1]" 1
377 1 23 LYS QE 1 23 LYS QG . . 2.900 2.293 2.086 2.606 . 0 0 "[ . 1]" 1
378 1 24 ALA H 1 24 ALA MB . . 3.020 2.211 2.107 2.300 . 0 0 "[ . 1]" 1
379 1 24 ALA H 1 25 ILE H . . 3.640 2.506 2.454 2.530 . 0 0 "[ . 1]" 1
380 1 24 ALA H 1 25 ILE MD . . 5.330 4.057 3.026 4.665 . 0 0 "[ . 1]" 1
381 1 24 ALA H 1 26 ILE H . . 4.710 4.018 3.951 4.106 . 0 0 "[ . 1]" 1
382 1 24 ALA H 1 26 ILE QG . . 5.340 4.352 4.290 4.481 . 0 0 "[ . 1]" 1
383 1 24 ALA HA 1 25 ILE MD . . 5.500 5.259 4.258 5.519 0.019 2 0 "[ . 1]" 1
384 1 24 ALA MB 1 25 ILE H . . 3.560 3.273 3.016 3.325 . 0 0 "[ . 1]" 1
385 1 24 ALA MB 1 25 ILE HA . . 5.500 4.080 3.907 4.150 . 0 0 "[ . 1]" 1
386 1 24 ALA MB 1 25 ILE MD . . 3.680 3.377 2.449 3.630 . 0 0 "[ . 1]" 1
387 1 24 ALA MB 1 25 ILE QG . . 3.250 3.014 2.885 3.238 . 0 0 "[ . 1]" 1
388 1 24 ALA MB 1 26 ILE H . . 5.500 4.737 4.609 4.769 . 0 0 "[ . 1]" 1
389 1 25 ILE H 1 25 ILE MD . . 4.100 3.380 2.550 3.618 . 0 0 "[ . 1]" 1
390 1 25 ILE H 1 25 ILE QG . . 3.580 2.771 2.092 3.322 . 0 0 "[ . 1]" 1
391 1 25 ILE H 1 25 ILE MG . . 4.140 3.839 3.817 3.851 . 0 0 "[ . 1]" 1
392 1 25 ILE H 1 26 ILE H . . 3.410 1.934 1.871 2.218 . 0 0 "[ . 1]" 1
393 1 25 ILE H 1 26 ILE QG . . 4.030 3.227 3.134 3.556 . 0 0 "[ . 1]" 1
394 1 25 ILE HA 1 25 ILE MD . . 3.950 3.464 2.046 3.867 . 0 0 "[ . 1]" 1
395 1 25 ILE HA 1 25 ILE MG . . 3.270 2.308 2.220 2.383 . 0 0 "[ . 1]" 1
396 1 25 ILE HB 1 25 ILE MD . . 3.420 2.298 2.050 3.225 . 0 0 "[ . 1]" 1
397 1 26 ILE H 1 26 ILE HB . . 3.540 2.597 2.559 2.620 . 0 0 "[ . 1]" 1
398 1 26 ILE H 1 26 ILE MD . . 4.610 3.138 3.036 3.250 . 0 0 "[ . 1]" 1
399 1 26 ILE H 1 26 ILE QG . . 3.480 1.997 1.957 2.068 . 0 0 "[ . 1]" 1
400 1 26 ILE H 1 27 THR H . . 5.250 4.419 4.332 4.501 . 0 0 "[ . 1]" 1
401 1 26 ILE HA 1 26 ILE MD . . 3.520 1.976 1.958 2.059 . 0 0 "[ . 1]" 1
402 1 26 ILE HA 1 26 ILE MG . . 3.300 2.334 2.305 2.360 . 0 0 "[ . 1]" 1
403 1 26 ILE HA 1 27 THR H . . 3.250 2.148 2.139 2.168 . 0 0 "[ . 1]" 1
404 1 26 ILE HA 1 27 THR MG . . 4.430 4.161 3.627 4.422 . 0 0 "[ . 1]" 1
405 1 26 ILE HB 1 26 ILE MD . . 3.350 3.226 3.216 3.231 . 0 0 "[ . 1]" 1
406 1 26 ILE HB 1 27 THR H . . 5.000 4.343 4.256 4.431 . 0 0 "[ . 1]" 1
407 1 26 ILE MD 1 26 ILE MG . . 2.400 2.017 1.943 2.095 . 0 0 "[ . 1]" 1
408 1 26 ILE MG 1 27 THR H . . 3.570 2.778 2.514 2.987 . 0 0 "[ . 1]" 1
409 1 26 ILE MG 1 27 THR HA . . 3.910 3.619 3.422 3.854 . 0 0 "[ . 1]" 1
410 1 26 ILE MG 1 27 THR HB . . 5.500 5.372 4.803 5.509 0.009 6 0 "[ . 1]" 1
411 1 27 THR H 1 27 THR MG . . 3.910 3.144 2.191 3.577 . 0 0 "[ . 1]" 1
412 1 27 THR H 1 30 SER H . . 4.110 3.845 3.617 3.966 . 0 0 "[ . 1]" 1
413 1 27 THR H 1 30 SER QB . . 5.290 2.943 1.997 5.256 . 0 0 "[ . 1]" 1
414 1 27 THR HA 1 27 THR MG . . 3.330 2.305 2.061 3.178 . 0 0 "[ . 1]" 1
415 1 27 THR HA 1 28 THR H . . 3.310 2.327 2.219 2.574 . 0 0 "[ . 1]" 1
416 1 27 THR HB 1 28 THR H . . 3.630 2.744 2.034 3.686 0.056 7 0 "[ . 1]" 1
417 1 27 THR HB 1 28 THR MG . . 4.600 4.192 3.387 4.617 0.017 7 0 "[ . 1]" 1
418 1 27 THR HB 1 69 VAL MG2 . . 5.500 5.118 4.899 5.372 . 0 0 "[ . 1]" 1
419 1 27 THR MG 1 28 THR H . . 4.550 3.508 3.246 3.769 . 0 0 "[ . 1]" 1
420 1 27 THR MG 1 30 SER H . . 5.500 4.424 2.537 4.837 . 0 0 "[ . 1]" 1
421 1 28 THR H 1 28 THR MG . . 3.590 2.120 1.908 2.409 . 0 0 "[ . 1]" 1
422 1 28 THR H 1 29 ASP H . . 4.160 2.649 2.271 2.809 . 0 0 "[ . 1]" 1
423 1 28 THR H 1 69 VAL MG2 . . 4.560 4.027 3.487 4.413 . 0 0 "[ . 1]" 1
424 1 28 THR HA 1 28 THR MG . . 3.290 2.592 2.231 3.191 . 0 0 "[ . 1]" 1
425 1 28 THR HA 1 69 VAL HA . . 5.390 4.820 4.432 5.215 . 0 0 "[ . 1]" 1
426 1 28 THR HA 1 69 VAL HB . . 3.460 2.070 1.953 2.369 . 0 0 "[ . 1]" 1
427 1 28 THR HA 1 69 VAL MG1 . . 3.440 3.194 2.573 3.489 0.049 3 0 "[ . 1]" 1
428 1 28 THR HA 1 69 VAL MG2 . . 3.320 2.406 2.040 2.803 . 0 0 "[ . 1]" 1
429 1 28 THR HA 1 70 SER QB . . 4.940 4.730 4.515 4.954 0.014 2 0 "[ . 1]" 1
430 1 28 THR HB 1 29 ASP H . . 5.490 3.943 3.655 4.335 . 0 0 "[ . 1]" 1
431 1 28 THR HB 1 69 VAL HB . . 4.610 3.320 2.761 3.771 . 0 0 "[ . 1]" 1
432 1 28 THR HB 1 69 VAL MG1 . . 4.690 4.064 3.511 4.561 . 0 0 "[ . 1]" 1
433 1 28 THR HB 1 69 VAL MG2 . . 4.710 4.211 3.606 4.675 . 0 0 "[ . 1]" 1
434 1 28 THR HB 1 70 SER QB . . 4.060 3.768 3.471 4.079 0.019 8 0 "[ . 1]" 1
435 1 28 THR MG 1 29 ASP H . . 4.900 3.368 1.946 3.994 . 0 0 "[ . 1]" 1
436 1 28 THR MG 1 69 VAL MG1 . . 4.650 3.718 3.131 4.698 0.048 7 0 "[ . 1]" 1
437 1 29 ASP H 1 29 ASP HB2 . . 4.200 2.589 2.456 2.775 . 0 0 "[ . 1]" 1
438 1 29 ASP H 1 29 ASP QB . . 3.490 2.463 2.381 2.694 . 0 0 "[ . 1]" 1
439 1 29 ASP H 1 29 ASP HB3 . . 4.200 3.298 2.719 3.704 . 0 0 "[ . 1]" 1
440 1 29 ASP H 1 30 SER H . . 3.270 2.600 2.243 2.777 . 0 0 "[ . 1]" 1
441 1 29 ASP H 1 68 THR MG . . 4.720 4.655 4.444 4.738 0.018 4 0 "[ . 1]" 1
442 1 29 ASP HA 1 68 THR HB . . 4.770 4.575 3.920 4.786 0.016 7 0 "[ . 1]" 1
443 1 29 ASP HA 1 69 VAL H . . 5.150 4.610 4.080 5.159 0.009 7 0 "[ . 1]" 1
444 1 30 SER H 1 30 SER QB . . 3.410 2.497 2.106 3.099 . 0 0 "[ . 1]" 1
445 1 30 SER H 1 68 THR MG . . 5.500 3.967 3.641 4.184 . 0 0 "[ . 1]" 1
446 1 30 SER H 1 69 VAL MG2 . . 3.940 3.373 2.689 3.933 . 0 0 "[ . 1]" 1
447 1 31 ARG H 1 31 ARG QB . . 3.690 2.521 2.331 2.739 . 0 0 "[ . 1]" 1
448 1 31 ARG H 1 31 ARG QG . . 4.520 2.854 2.390 3.115 . 0 0 "[ . 1]" 1
449 1 31 ARG H 1 35 ASP H . . 5.390 5.038 4.865 5.387 . 0 0 "[ . 1]" 1
450 1 31 ARG H 1 35 ASP QB . . 4.430 4.099 3.887 4.443 0.013 2 0 "[ . 1]" 1
451 1 31 ARG HA 1 32 PHE H . . 3.430 2.731 2.677 2.915 . 0 0 "[ . 1]" 1
452 1 31 ARG HA 1 35 ASP QB . . 5.130 4.997 4.923 5.120 . 0 0 "[ . 1]" 1
453 1 31 ARG QB 1 35 ASP QB . . 4.050 3.244 2.964 3.566 . 0 0 "[ . 1]" 1
454 1 31 ARG HB2 1 35 ASP H . . 4.200 3.452 3.102 3.816 . 0 0 "[ . 1]" 1
455 1 31 ARG HB3 1 35 ASP H . . 4.200 3.348 3.041 3.700 . 0 0 "[ . 1]" 1
456 1 31 ARG QG 1 32 PHE H . . 5.340 4.559 4.494 4.657 . 0 0 "[ . 1]" 1
457 1 32 PHE H 1 32 PHE HB2 . . 3.800 3.576 3.574 3.580 . 0 0 "[ . 1]" 1
458 1 32 PHE H 1 32 PHE QD . . 4.240 2.480 2.440 2.510 . 0 0 "[ . 1]" 1
459 1 32 PHE H 1 33 ILE H . . 4.270 2.788 2.768 2.812 . 0 0 "[ . 1]" 1
460 1 32 PHE HA 1 32 PHE QD . . 4.140 3.709 3.706 3.712 . 0 0 "[ . 1]" 1
461 1 32 PHE HA 1 36 LEU H . . 3.880 2.390 2.347 2.457 . 0 0 "[ . 1]" 1
462 1 32 PHE HA 1 36 LEU HB2 . . 3.980 2.473 2.319 2.758 . 0 0 "[ . 1]" 1
463 1 32 PHE HA 1 36 LEU HB3 . . 3.840 3.807 3.641 3.863 0.023 7 0 "[ . 1]" 1
464 1 32 PHE HA 1 36 LEU QD . . 4.000 3.494 3.013 3.913 . 0 0 "[ . 1]" 1
465 1 32 PHE HA 1 36 LEU HG . . 5.380 5.144 4.625 5.425 0.045 10 0 "[ . 1]" 1
466 1 32 PHE HB2 1 33 ILE H . . 3.890 3.644 3.620 3.670 . 0 0 "[ . 1]" 1
467 1 32 PHE HB2 1 33 ILE MD . . 5.500 5.549 5.531 5.570 0.070 10 0 "[ . 1]" 1
468 1 32 PHE HB2 1 36 LEU HA . . 5.500 5.526 5.515 5.544 0.044 6 0 "[ . 1]" 1
469 1 32 PHE HB2 1 36 LEU HB3 . . 5.070 3.261 3.114 3.343 . 0 0 "[ . 1]" 1
470 1 32 PHE HB2 1 38 ALA H . . 5.120 4.998 4.813 5.129 0.009 8 0 "[ . 1]" 1
471 1 32 PHE HB2 1 38 ALA MB . . 3.860 3.766 3.524 3.892 0.032 1 0 "[ . 1]" 1
472 1 32 PHE HB3 1 33 ILE H . . 4.800 4.143 4.132 4.156 . 0 0 "[ . 1]" 1
473 1 32 PHE HB3 1 36 LEU HB3 . . 5.500 4.557 4.409 4.642 . 0 0 "[ . 1]" 1
474 1 32 PHE QD 1 38 ALA MB . . 4.190 2.880 2.710 3.065 . 0 0 "[ . 1]" 1
475 1 32 PHE QD 1 43 THR MG . . 4.800 4.315 4.006 4.705 . 0 0 "[ . 1]" 1
476 1 32 PHE QE 1 69 VAL MG2 . . 4.770 4.460 3.769 4.785 0.015 8 0 "[ . 1]" 1
477 1 33 ILE H 1 33 ILE HB . . 3.210 2.593 2.589 2.598 . 0 0 "[ . 1]" 1
478 1 33 ILE H 1 33 ILE MD . . 4.490 4.033 4.022 4.094 . 0 0 "[ . 1]" 1
479 1 33 ILE H 1 33 ILE HG13 . . 4.850 4.453 4.447 4.457 . 0 0 "[ . 1]" 1
480 1 33 ILE H 1 33 ILE MG . . 3.750 1.924 1.914 1.931 . 0 0 "[ . 1]" 1
481 1 33 ILE H 1 34 GLU H . . 4.190 2.786 2.773 2.801 . 0 0 "[ . 1]" 1
482 1 33 ILE H 1 38 ALA MB . . 5.500 4.062 3.839 4.262 . 0 0 "[ . 1]" 1
483 1 33 ILE HA 1 33 ILE MD . . 3.530 1.957 1.953 1.961 . 0 0 "[ . 1]" 1
484 1 33 ILE HA 1 33 ILE MG . . 3.430 3.196 3.195 3.197 . 0 0 "[ . 1]" 1
485 1 33 ILE HA 1 38 ALA H . . 4.090 2.428 2.346 2.528 . 0 0 "[ . 1]" 1
486 1 33 ILE HA 1 38 ALA MB . . 3.490 2.046 1.920 2.266 . 0 0 "[ . 1]" 1
487 1 33 ILE HB 1 34 GLU H . . 4.070 3.917 3.909 3.928 . 0 0 "[ . 1]" 1
488 1 33 ILE MD 1 38 ALA H . . 5.070 2.955 2.612 3.100 . 0 0 "[ . 1]" 1
489 1 33 ILE MD 1 38 ALA MB . . 3.750 1.927 1.847 2.094 . 0 0 "[ . 1]" 1
490 1 33 ILE HG13 1 33 ILE MG . . 3.520 2.330 2.327 2.336 . 0 0 "[ . 1]" 1
491 1 33 ILE HG13 1 34 GLU H . . 5.290 3.583 3.555 3.613 . 0 0 "[ . 1]" 1
492 1 33 ILE HG13 1 34 GLU HA . . 4.510 3.566 3.548 3.581 . 0 0 "[ . 1]" 1
493 1 33 ILE MG 1 34 GLU H . . 3.720 1.981 1.966 2.002 . 0 0 "[ . 1]" 1
494 1 33 ILE MG 1 34 GLU HA . . 4.610 3.547 3.534 3.558 . 0 0 "[ . 1]" 1
495 1 33 ILE MG 1 34 GLU QG . . 4.450 3.438 1.940 4.461 0.011 8 0 "[ . 1]" 1
496 1 33 ILE MG 1 37 LYS HA . . 5.400 5.309 5.294 5.320 . 0 0 "[ . 1]" 1
497 1 34 GLU H 1 34 GLU QB . . 3.060 2.333 2.230 2.517 . 0 0 "[ . 1]" 1
498 1 34 GLU H 1 34 GLU QG . . 4.780 3.536 2.454 4.096 . 0 0 "[ . 1]" 1
499 1 34 GLU H 1 35 ASP H . . 4.170 2.486 2.483 2.489 . 0 0 "[ . 1]" 1
500 1 34 GLU HA 1 34 GLU QG . . 3.710 2.558 2.262 2.971 . 0 0 "[ . 1]" 1
501 1 34 GLU HA 1 37 LYS H . . 5.090 3.415 3.401 3.442 . 0 0 "[ . 1]" 1
502 1 34 GLU HA 1 37 LYS HA . . 4.340 3.064 3.055 3.089 . 0 0 "[ . 1]" 1
503 1 34 GLU QB 1 35 ASP H . . 4.390 2.226 2.181 2.355 . 0 0 "[ . 1]" 1
504 1 35 ASP H 1 35 ASP HB2 . . 4.150 2.298 2.161 2.555 . 0 0 "[ . 1]" 1
505 1 35 ASP H 1 35 ASP QB . . 3.480 2.206 2.114 2.301 . 0 0 "[ . 1]" 1
506 1 35 ASP H 1 35 ASP HB3 . . 4.150 3.076 2.510 3.563 . 0 0 "[ . 1]" 1
507 1 35 ASP H 1 37 LYS H . . 5.060 3.677 3.670 3.684 . 0 0 "[ . 1]" 1
508 1 35 ASP QB 1 36 LEU H . . 4.160 2.311 2.221 2.430 . 0 0 "[ . 1]" 1
509 1 35 ASP QB 1 36 LEU HA . . 5.340 3.982 3.838 4.276 . 0 0 "[ . 1]" 1
510 1 35 ASP QB 1 36 LEU HB2 . . 4.640 3.557 3.437 3.641 . 0 0 "[ . 1]" 1
511 1 35 ASP QB 1 36 LEU HB3 . . 5.300 4.864 4.700 5.009 . 0 0 "[ . 1]" 1
512 1 35 ASP HB2 1 36 LEU H . . 4.910 3.147 2.437 3.758 . 0 0 "[ . 1]" 1
513 1 35 ASP HB3 1 36 LEU H . . 4.910 2.566 2.244 3.114 . 0 0 "[ . 1]" 1
514 1 36 LEU H 1 36 LEU HB3 . . 3.650 3.039 2.820 3.177 . 0 0 "[ . 1]" 1
515 1 36 LEU H 1 36 LEU QD . . 4.150 3.329 3.109 3.753 . 0 0 "[ . 1]" 1
516 1 36 LEU H 1 37 LYS H . . 3.760 2.455 2.428 2.472 . 0 0 "[ . 1]" 1
517 1 36 LEU H 1 38 ALA H . . 4.890 4.271 4.131 4.438 . 0 0 "[ . 1]" 1
518 1 36 LEU HA 1 36 LEU QD . . 3.350 2.217 1.941 2.918 . 0 0 "[ . 1]" 1
519 1 36 LEU HA 1 36 LEU HG . . 3.940 2.859 2.151 3.648 . 0 0 "[ . 1]" 1
520 1 36 LEU HA 1 38 ALA H . . 5.500 5.136 4.957 5.346 . 0 0 "[ . 1]" 1
521 1 36 LEU HB2 1 38 ALA MB . . 4.700 4.492 4.243 4.712 0.012 6 0 "[ . 1]" 1
522 1 37 LYS H 1 37 LYS QD . . 4.930 3.867 3.498 4.846 . 0 0 "[ . 1]" 1
523 1 37 LYS H 1 37 LYS QG . . 5.090 3.562 2.933 4.416 . 0 0 "[ . 1]" 1
524 1 37 LYS H 1 38 ALA H . . 3.760 2.946 2.789 3.044 . 0 0 "[ . 1]" 1
525 1 37 LYS H 1 38 ALA MB . . 5.500 4.442 4.312 4.517 . 0 0 "[ . 1]" 1
526 1 37 LYS HA 1 37 LYS QD . . 3.080 2.152 1.962 3.080 0.000 2 0 "[ . 1]" 1
527 1 37 LYS HA 1 37 LYS QE . . 4.360 3.769 2.929 4.236 . 0 0 "[ . 1]" 1
528 1 37 LYS HA 1 37 LYS QG . . 3.580 2.633 2.126 2.827 . 0 0 "[ . 1]" 1
529 1 37 LYS HA 1 38 ALA H . . 3.460 2.620 2.527 2.725 . 0 0 "[ . 1]" 1
530 1 37 LYS QB 1 38 ALA H . . 4.340 3.933 3.907 3.992 . 0 0 "[ . 1]" 1
531 1 37 LYS QD 1 38 ALA H . . 4.500 4.248 3.997 4.503 0.003 2 0 "[ . 1]" 1
532 1 37 LYS QD 1 38 ALA MB . . 5.340 5.282 4.817 5.399 0.059 6 0 "[ . 1]" 1
533 1 37 LYS QE 1 37 LYS QG . . 2.960 2.325 2.079 2.808 . 0 0 "[ . 1]" 1
534 1 38 ALA H 1 38 ALA MB . . 3.230 2.115 2.073 2.225 . 0 0 "[ . 1]" 1
535 1 38 ALA HA 1 39 ASP H . . 3.150 2.179 2.141 2.329 . 0 0 "[ . 1]" 1
536 1 38 ALA HA 1 39 ASP QB . . 5.340 4.382 4.082 4.524 . 0 0 "[ . 1]" 1
537 1 38 ALA HA 1 42 ASP QB . . 5.340 4.088 3.571 4.780 . 0 0 "[ . 1]" 1
538 1 38 ALA MB 1 39 ASP H . . 3.780 3.171 2.672 3.400 . 0 0 "[ . 1]" 1
539 1 38 ALA MB 1 39 ASP HA . . 4.780 4.468 4.141 4.584 . 0 0 "[ . 1]" 1
540 1 38 ALA MB 1 42 ASP QB . . 5.310 3.749 3.315 4.241 . 0 0 "[ . 1]" 1
541 1 38 ALA MB 1 43 THR H . . 4.750 4.191 3.842 4.514 . 0 0 "[ . 1]" 1
542 1 38 ALA MB 1 43 THR MG . . 3.260 2.227 1.844 2.707 . 0 0 "[ . 1]" 1
543 1 39 ASP H 1 39 ASP HB2 . . 3.820 2.495 2.124 2.671 . 0 0 "[ . 1]" 1
544 1 39 ASP H 1 39 ASP QB . . 3.280 2.447 2.105 2.601 . 0 0 "[ . 1]" 1
545 1 39 ASP H 1 39 ASP HB3 . . 3.820 3.570 3.435 3.634 . 0 0 "[ . 1]" 1
546 1 39 ASP H 1 42 ASP H . . 4.890 4.472 4.078 4.747 . 0 0 "[ . 1]" 1
547 1 39 ASP H 1 42 ASP QB . . 4.220 2.867 2.365 3.529 . 0 0 "[ . 1]" 1
548 1 39 ASP H 1 43 THR MG . . 5.500 4.236 3.669 5.183 . 0 0 "[ . 1]" 1
549 1 39 ASP HA 1 41 LEU QD . . 4.690 4.009 3.830 4.229 . 0 0 "[ . 1]" 1
550 1 39 ASP QB 1 40 SER H . . 3.760 2.259 2.109 2.736 . 0 0 "[ . 1]" 1
551 1 39 ASP QB 1 41 LEU QD . . 3.240 1.895 1.804 1.990 . 0 0 "[ . 1]" 1
552 1 39 ASP HB2 1 40 SER H . . 4.360 3.468 3.219 4.067 . 0 0 "[ . 1]" 1
553 1 39 ASP HB3 1 40 SER H . . 4.360 2.291 2.127 2.781 . 0 0 "[ . 1]" 1
554 1 40 SER H 1 41 LEU H . . 5.470 2.467 2.132 2.780 . 0 0 "[ . 1]" 1
555 1 40 SER H 1 41 LEU QD . . 4.830 3.019 2.853 3.302 . 0 0 "[ . 1]" 1
556 1 40 SER HA 1 41 LEU QD . . 4.570 4.525 4.374 4.649 0.079 10 0 "[ . 1]" 1
557 1 40 SER QB 1 41 LEU QD . . 4.430 3.736 3.415 4.283 . 0 0 "[ . 1]" 1
558 1 41 LEU H 1 41 LEU QD . . 3.820 1.912 1.866 2.025 . 0 0 "[ . 1]" 1
559 1 41 LEU H 1 41 LEU HG . . 4.440 3.213 1.923 3.657 . 0 0 "[ . 1]" 1
560 1 41 LEU H 1 43 THR H . . 4.450 4.261 3.888 4.451 0.001 8 0 "[ . 1]" 1
561 1 41 LEU HA 1 41 LEU QD . . 3.800 3.358 3.297 3.428 . 0 0 "[ . 1]" 1
562 1 41 LEU HA 1 41 LEU HG . . 3.800 3.664 3.634 3.684 . 0 0 "[ . 1]" 1
563 1 41 LEU QB 1 42 ASP H . . 3.960 3.594 3.512 3.690 . 0 0 "[ . 1]" 1
564 1 41 LEU QD 1 42 ASP H . . 3.740 1.997 1.912 2.565 . 0 0 "[ . 1]" 1
565 1 41 LEU QD 1 42 ASP HA . . 4.140 3.530 2.944 3.925 . 0 0 "[ . 1]" 1
566 1 41 LEU QD 1 43 THR H . . 4.440 4.093 3.947 4.439 . 0 0 "[ . 1]" 1
567 1 42 ASP H 1 42 ASP HB2 . . 3.960 2.380 2.220 2.514 . 0 0 "[ . 1]" 1
568 1 42 ASP H 1 42 ASP QB . . 3.390 2.347 2.197 2.470 . 0 0 "[ . 1]" 1
569 1 42 ASP H 1 42 ASP HB3 . . 3.960 3.587 3.515 3.623 . 0 0 "[ . 1]" 1
570 1 42 ASP H 1 43 THR MG . . 4.810 4.599 4.392 4.775 . 0 0 "[ . 1]" 1
571 1 42 ASP HA 1 46 LEU QD . . 4.940 3.742 3.514 4.110 . 0 0 "[ . 1]" 1
572 1 42 ASP QB 1 43 THR H . . 3.710 2.556 2.382 2.712 . 0 0 "[ . 1]" 1
573 1 42 ASP QB 1 43 THR MG . . 3.880 3.697 3.411 3.877 . 0 0 "[ . 1]" 1
574 1 42 ASP QB 1 46 LEU HB2 . . 4.900 4.565 3.926 4.901 0.001 6 0 "[ . 1]" 1
575 1 42 ASP QB 1 46 LEU QD . . 4.690 2.105 1.887 2.398 . 0 0 "[ . 1]" 1
576 1 42 ASP QB 1 46 LEU HG . . 3.960 3.142 2.878 3.340 . 0 0 "[ . 1]" 1
577 1 42 ASP HB2 1 43 THR H . . 4.370 2.628 2.420 2.777 . 0 0 "[ . 1]" 1
578 1 42 ASP HB2 1 46 LEU HG . . 4.570 4.563 4.526 4.592 0.022 9 0 "[ . 1]" 1
579 1 42 ASP HB3 1 43 THR H . . 4.370 3.530 3.237 3.799 . 0 0 "[ . 1]" 1
580 1 42 ASP HB3 1 46 LEU HG . . 4.570 3.204 2.910 3.433 . 0 0 "[ . 1]" 1
581 1 43 THR H 1 43 THR MG . . 3.940 2.701 2.520 2.869 . 0 0 "[ . 1]" 1
582 1 43 THR HA 1 43 THR MG . . 3.120 2.192 2.017 2.248 . 0 0 "[ . 1]" 1
583 1 43 THR HA 1 46 LEU H . . 4.050 3.273 3.120 3.553 . 0 0 "[ . 1]" 1
584 1 43 THR HA 1 46 LEU HB2 . . 4.970 2.229 1.998 2.523 . 0 0 "[ . 1]" 1
585 1 43 THR HA 1 46 LEU HG . . 4.300 3.569 3.458 3.788 . 0 0 "[ . 1]" 1
586 1 43 THR HA 1 47 MET HG2 . . 4.380 4.315 3.954 4.392 0.012 6 0 "[ . 1]" 1
587 1 43 THR HA 1 47 MET HG3 . . 4.070 3.044 2.464 3.421 . 0 0 "[ . 1]" 1
588 1 43 THR HB 1 47 MET ME . . 3.590 2.571 2.104 3.021 . 0 0 "[ . 1]" 1
589 1 43 THR MG 1 46 LEU H . . 5.210 4.931 4.804 5.142 . 0 0 "[ . 1]" 1
590 1 43 THR MG 1 46 LEU HB2 . . 4.000 3.641 3.356 3.943 . 0 0 "[ . 1]" 1
591 1 43 THR MG 1 47 MET H . . 5.160 4.341 3.985 4.729 . 0 0 "[ . 1]" 1
592 1 43 THR MG 1 47 MET ME . . 4.210 3.642 3.241 3.980 . 0 0 "[ . 1]" 1
593 1 43 THR MG 1 47 MET HG2 . . 4.370 3.772 3.067 4.373 0.003 3 0 "[ . 1]" 1
594 1 44 VAL HA 1 44 VAL MG1 . . 3.320 2.483 2.213 3.190 . 0 0 "[ . 1]" 1
595 1 44 VAL HA 1 44 VAL MG2 . . 3.320 2.561 2.204 3.202 . 0 0 "[ . 1]" 1
596 1 44 VAL HA 1 47 MET H . . 4.630 4.271 4.083 4.564 . 0 0 "[ . 1]" 1
597 1 44 VAL HA 1 47 MET QB . . 4.270 3.616 3.413 3.996 . 0 0 "[ . 1]" 1
598 1 44 VAL HA 1 47 MET ME . . 4.200 2.998 2.839 3.202 . 0 0 "[ . 1]" 1
599 1 44 VAL HB 1 45 GLU H . . 4.760 3.130 2.200 3.965 . 0 0 "[ . 1]" 1
600 1 45 GLU H 1 46 LEU HA . . 5.500 5.031 5.007 5.050 . 0 0 "[ . 1]" 1
601 1 45 GLU H 1 47 MET ME . . 5.500 5.399 5.201 5.507 0.007 10 0 "[ . 1]" 1
602 1 45 GLU H 1 48 MET HB3 . . 4.950 4.877 4.668 4.948 . 0 0 "[ . 1]" 1
603 1 45 GLU HA 1 45 GLU HG2 . . 3.650 3.465 3.349 3.516 . 0 0 "[ . 1]" 1
604 1 45 GLU HA 1 45 GLU HG3 . . 3.870 2.534 2.505 2.575 . 0 0 "[ . 1]" 1
605 1 45 GLU HA 1 48 MET HB3 . . 3.110 2.417 2.065 2.567 . 0 0 "[ . 1]" 1
606 1 45 GLU HA 1 48 MET HG2 . . 3.850 3.710 3.510 3.830 . 0 0 "[ . 1]" 1
607 1 45 GLU HA 1 48 MET HG3 . . 4.840 4.541 4.237 4.649 . 0 0 "[ . 1]" 1
608 1 45 GLU HA 1 49 ALA H . . 4.880 4.592 4.151 4.822 . 0 0 "[ . 1]" 1
609 1 45 GLU QB 1 46 LEU H . . 3.650 2.643 2.523 2.761 . 0 0 "[ . 1]" 1
610 1 45 GLU HG2 1 46 LEU H . . 3.780 3.671 3.512 3.747 . 0 0 "[ . 1]" 1
611 1 45 GLU HG2 1 46 LEU HA . . 3.680 3.656 3.499 3.690 0.010 10 0 "[ . 1]" 1
612 1 45 GLU HG3 1 48 MET HG3 . . 5.130 5.019 4.667 5.155 0.025 6 0 "[ . 1]" 1
613 1 46 LEU H 1 46 LEU HB2 . . 3.880 2.488 2.420 2.560 . 0 0 "[ . 1]" 1
614 1 46 LEU H 1 46 LEU QD . . 3.980 3.042 2.891 3.161 . 0 0 "[ . 1]" 1
615 1 46 LEU H 1 46 LEU HG . . 3.590 2.270 2.166 2.362 . 0 0 "[ . 1]" 1
616 1 46 LEU H 1 47 MET HG3 . . 4.930 4.534 4.319 4.750 . 0 0 "[ . 1]" 1
617 1 46 LEU HA 1 46 LEU QD . . 3.200 2.251 1.964 2.546 . 0 0 "[ . 1]" 1
618 1 46 LEU HA 1 46 LEU HG . . 4.030 2.939 2.748 3.125 . 0 0 "[ . 1]" 1
619 1 46 LEU HA 1 49 ALA MB . . 3.530 3.371 3.015 3.533 0.003 7 0 "[ . 1]" 1
620 1 46 LEU HB2 1 47 MET H . . 3.830 2.300 2.197 2.527 . 0 0 "[ . 1]" 1
621 1 46 LEU HG 1 47 MET H . . 4.900 4.302 4.210 4.359 . 0 0 "[ . 1]" 1
622 1 47 MET H 1 47 MET QB . . 3.450 2.518 2.398 2.607 . 0 0 "[ . 1]" 1
623 1 47 MET H 1 47 MET HG2 . . 3.510 3.027 2.729 3.472 . 0 0 "[ . 1]" 1
624 1 47 MET H 1 47 MET HG3 . . 3.690 2.218 2.094 2.442 . 0 0 "[ . 1]" 1
625 1 47 MET HA 1 47 MET HG2 . . 4.020 2.504 2.440 2.552 . 0 0 "[ . 1]" 1
626 1 47 MET HA 1 47 MET HG3 . . 3.970 3.330 3.151 3.486 . 0 0 "[ . 1]" 1
627 1 47 MET ME 1 47 MET HG3 . . 3.390 2.455 2.359 2.567 . 0 0 "[ . 1]" 1
628 1 47 MET ME 1 48 MET H . . 4.510 4.417 4.174 4.515 0.005 6 0 "[ . 1]" 1
629 1 48 MET H 1 48 MET HB3 . . 4.060 2.403 2.353 2.511 . 0 0 "[ . 1]" 1
630 1 48 MET H 1 48 MET HG2 . . 4.680 4.592 4.584 4.597 . 0 0 "[ . 1]" 1
631 1 48 MET H 1 48 MET HG3 . . 4.620 4.361 4.314 4.425 . 0 0 "[ . 1]" 1
632 1 48 MET HA 1 48 MET ME . . 4.270 3.880 3.291 4.181 . 0 0 "[ . 1]" 1
633 1 48 MET HA 1 48 MET HG2 . . 4.170 3.837 3.825 3.842 . 0 0 "[ . 1]" 1
634 1 48 MET HA 1 48 MET HG3 . . 3.820 3.245 2.987 3.353 . 0 0 "[ . 1]" 1
635 1 48 MET HA 1 51 GLU H . . 4.280 3.446 3.342 3.518 . 0 0 "[ . 1]" 1
636 1 48 MET HA 1 51 GLU HB2 . . 3.800 3.491 3.169 3.770 . 0 0 "[ . 1]" 1
637 1 48 MET HA 1 51 GLU HB3 . . 5.190 4.942 4.850 5.018 . 0 0 "[ . 1]" 1
638 1 48 MET HA 1 51 GLU QG . . 4.450 3.233 2.307 4.173 . 0 0 "[ . 1]" 1
639 1 48 MET HB3 1 49 ALA H . . 3.450 2.778 2.669 2.865 . 0 0 "[ . 1]" 1
640 1 48 MET ME 1 51 GLU HB3 . . 3.600 3.212 2.748 3.603 0.003 10 0 "[ . 1]" 1
641 1 48 MET ME 1 52 VAL H . . 3.440 3.142 2.855 3.434 . 0 0 "[ . 1]" 1
642 1 48 MET ME 1 52 VAL MG1 . . 3.170 1.834 1.702 2.131 . 0 0 "[ . 1]" 1
643 1 48 MET ME 1 52 VAL MG2 . . 3.420 3.041 2.828 3.422 0.002 2 0 "[ . 1]" 1
644 1 48 MET HG2 1 49 ALA MB . . 5.500 5.481 5.394 5.523 0.023 8 0 "[ . 1]" 1
645 1 48 MET HG2 1 52 VAL MG2 . . 4.570 4.585 4.576 4.597 0.027 3 0 "[ . 1]" 1
646 1 48 MET HG3 1 49 ALA HA . . 4.530 3.459 3.349 3.748 . 0 0 "[ . 1]" 1
647 1 48 MET HG3 1 50 ILE H . . 5.500 5.045 4.885 5.184 . 0 0 "[ . 1]" 1
648 1 48 MET HG3 1 51 GLU HB2 . . 4.240 4.055 3.785 4.252 0.012 6 0 "[ . 1]" 1
649 1 48 MET HG3 1 52 VAL MG1 . . 5.100 3.171 2.768 3.395 . 0 0 "[ . 1]" 1
650 1 48 MET HG3 1 52 VAL MG2 . . 3.830 3.140 3.110 3.302 . 0 0 "[ . 1]" 1
651 1 49 ALA H 1 49 ALA MB . . 3.170 2.097 2.069 2.125 . 0 0 "[ . 1]" 1
652 1 49 ALA H 1 50 ILE H . . 3.380 2.706 2.649 2.752 . 0 0 "[ . 1]" 1
653 1 49 ALA H 1 50 ILE MD . . 5.500 5.117 5.013 5.256 . 0 0 "[ . 1]" 1
654 1 49 ALA HA 1 52 VAL H . . 4.280 3.317 3.277 3.389 . 0 0 "[ . 1]" 1
655 1 49 ALA HA 1 52 VAL HB . . 4.960 4.692 4.664 4.705 . 0 0 "[ . 1]" 1
656 1 49 ALA HA 1 52 VAL MG1 . . 4.710 3.745 3.617 3.821 . 0 0 "[ . 1]" 1
657 1 49 ALA HA 1 52 VAL MG2 . . 3.860 1.897 1.885 1.914 . 0 0 "[ . 1]" 1
658 1 49 ALA HA 1 53 GLU H . . 4.950 4.084 3.998 4.180 . 0 0 "[ . 1]" 1
659 1 49 ALA MB 1 50 ILE H . . 3.610 2.860 2.727 3.033 . 0 0 "[ . 1]" 1
660 1 49 ALA MB 1 50 ILE HA . . 4.110 3.798 3.756 3.873 . 0 0 "[ . 1]" 1
661 1 49 ALA MB 1 50 ILE MD . . 3.560 3.438 3.359 3.525 . 0 0 "[ . 1]" 1
662 1 49 ALA MB 1 52 VAL H . . 5.260 4.607 4.552 4.676 . 0 0 "[ . 1]" 1
663 1 49 ALA MB 1 52 VAL HB . . 5.500 5.560 5.540 5.584 0.084 8 0 "[ . 1]" 1
664 1 49 ALA MB 1 52 VAL MG2 . . 5.280 3.035 3.020 3.048 . 0 0 "[ . 1]" 1
665 1 50 ILE H 1 50 ILE HB . . 3.450 2.513 2.478 2.547 . 0 0 "[ . 1]" 1
666 1 50 ILE H 1 50 ILE MD . . 4.490 3.372 3.266 3.495 . 0 0 "[ . 1]" 1
667 1 50 ILE H 1 50 ILE HG12 . . 4.710 2.173 2.087 2.318 . 0 0 "[ . 1]" 1
668 1 50 ILE H 1 50 ILE MG . . 4.310 3.764 3.760 3.769 . 0 0 "[ . 1]" 1
669 1 50 ILE H 1 51 GLU H . . 3.330 2.551 2.412 2.646 . 0 0 "[ . 1]" 1
670 1 50 ILE HA 1 50 ILE MD . . 3.270 2.065 2.045 2.074 . 0 0 "[ . 1]" 1
671 1 50 ILE HA 1 50 ILE MG . . 3.220 2.352 2.301 2.395 . 0 0 "[ . 1]" 1
672 1 50 ILE HA 1 53 GLU H . . 4.390 3.583 3.539 3.633 . 0 0 "[ . 1]" 1
673 1 50 ILE HA 1 53 GLU QB . . 4.140 2.503 2.380 2.749 . 0 0 "[ . 1]" 1
674 1 50 ILE HA 1 54 TYR H . . 3.980 3.653 3.481 3.738 . 0 0 "[ . 1]" 1
675 1 50 ILE HA 1 54 TYR QD . . 4.650 3.684 3.162 3.964 . 0 0 "[ . 1]" 1
676 1 50 ILE HB 1 50 ILE MD . . 3.640 3.215 3.215 3.216 . 0 0 "[ . 1]" 1
677 1 50 ILE HB 1 51 GLU H . . 3.380 3.040 3.030 3.044 . 0 0 "[ . 1]" 1
678 1 50 ILE MD 1 53 GLU QB . . 3.960 3.546 3.476 3.630 . 0 0 "[ . 1]" 1
679 1 50 ILE MD 1 54 TYR QD . . 4.830 3.439 3.179 3.758 . 0 0 "[ . 1]" 1
680 1 50 ILE MD 1 54 TYR QE . . 4.400 3.534 3.039 3.917 . 0 0 "[ . 1]" 1
681 1 50 ILE MD 1 76 ILE MD . . 4.400 4.258 3.950 4.402 0.002 5 0 "[ . 1]" 1
682 1 50 ILE MG 1 51 GLU H . . 4.140 3.738 3.702 3.791 . 0 0 "[ . 1]" 1
683 1 50 ILE MG 1 51 GLU HA . . 3.840 3.610 3.542 3.704 . 0 0 "[ . 1]" 1
684 1 50 ILE MG 1 54 TYR H . . 4.280 3.835 3.733 3.899 . 0 0 "[ . 1]" 1
685 1 50 ILE MG 1 54 TYR HB2 . . 4.160 3.218 3.005 3.383 . 0 0 "[ . 1]" 1
686 1 50 ILE MG 1 54 TYR HB3 . . 5.050 4.463 4.225 4.668 . 0 0 "[ . 1]" 1
687 1 50 ILE MG 1 54 TYR QD . . 3.620 2.042 1.925 2.244 . 0 0 "[ . 1]" 1
688 1 50 ILE MG 1 54 TYR QE . . 4.270 3.121 2.718 3.579 . 0 0 "[ . 1]" 1
689 1 50 ILE MG 1 76 ILE MD . . 2.960 2.855 2.449 2.983 0.023 2 0 "[ . 1]" 1
690 1 51 GLU H 1 51 GLU QG . . 3.860 2.746 2.012 3.552 . 0 0 "[ . 1]" 1
691 1 51 GLU H 1 52 VAL H . . 3.860 2.443 2.386 2.511 . 0 0 "[ . 1]" 1
692 1 51 GLU H 1 52 VAL MG2 . . 4.710 3.575 3.533 3.597 . 0 0 "[ . 1]" 1
693 1 51 GLU H 1 53 GLU QB . . 5.120 4.469 4.363 4.649 . 0 0 "[ . 1]" 1
694 1 51 GLU HA 1 53 GLU H . . 4.050 4.019 3.957 4.054 0.004 7 0 "[ . 1]" 1
695 1 51 GLU HA 1 56 ILE H . . 3.940 2.929 2.747 3.280 . 0 0 "[ . 1]" 1
696 1 51 GLU HA 1 56 ILE QG . . 3.980 2.950 2.693 3.431 . 0 0 "[ . 1]" 1
697 1 51 GLU HA 1 58 ILE MD . . 4.840 3.188 2.796 3.829 . 0 0 "[ . 1]" 1
698 1 51 GLU HB2 1 52 VAL H . . 3.610 2.571 2.371 2.766 . 0 0 "[ . 1]" 1
699 1 51 GLU HB2 1 53 GLU H . . 5.000 4.689 4.539 4.861 . 0 0 "[ . 1]" 1
700 1 51 GLU HB3 1 52 VAL H . . 3.950 3.541 3.319 3.842 . 0 0 "[ . 1]" 1
701 1 51 GLU HB3 1 52 VAL MG1 . . 5.290 3.903 3.560 4.245 . 0 0 "[ . 1]" 1
702 1 52 VAL H 1 52 VAL HB . . 3.910 3.612 3.608 3.616 . 0 0 "[ . 1]" 1
703 1 52 VAL H 1 52 VAL MG1 . . 3.630 2.553 2.458 2.620 . 0 0 "[ . 1]" 1
704 1 52 VAL H 1 52 VAL MG2 . . 3.790 2.068 2.031 2.091 . 0 0 "[ . 1]" 1
705 1 52 VAL H 1 53 GLU H . . 3.560 2.468 2.428 2.522 . 0 0 "[ . 1]" 1
706 1 52 VAL H 1 53 GLU QB . . 5.340 4.283 4.213 4.365 . 0 0 "[ . 1]" 1
707 1 52 VAL HA 1 52 VAL MG1 . . 3.190 2.254 2.162 2.344 . 0 0 "[ . 1]" 1
708 1 52 VAL HA 1 52 VAL MG2 . . 3.240 3.189 3.183 3.194 . 0 0 "[ . 1]" 1
709 1 52 VAL HB 1 53 GLU H . . 4.030 3.994 3.942 4.023 . 0 0 "[ . 1]" 1
710 1 52 VAL MG1 1 53 GLU H . . 4.400 4.148 4.110 4.166 . 0 0 "[ . 1]" 1
711 1 52 VAL MG2 1 53 GLU H . . 3.820 2.298 2.154 2.412 . 0 0 "[ . 1]" 1
712 1 52 VAL MG2 1 53 GLU HA . . 3.730 3.577 3.518 3.653 . 0 0 "[ . 1]" 1
713 1 52 VAL MG2 1 54 TYR H . . 4.690 4.589 4.470 4.665 . 0 0 "[ . 1]" 1
714 1 53 GLU H 1 53 GLU HB2 . . 3.700 2.351 2.219 2.648 . 0 0 "[ . 1]" 1
715 1 53 GLU H 1 53 GLU QB . . 3.240 2.241 2.197 2.303 . 0 0 "[ . 1]" 1
716 1 53 GLU H 1 53 GLU HB3 . . 3.700 3.235 2.525 3.547 . 0 0 "[ . 1]" 1
717 1 53 GLU H 1 54 TYR QD . . 5.500 5.283 4.812 5.486 . 0 0 "[ . 1]" 1
718 1 53 GLU HA 1 53 GLU QG . . 3.700 2.565 2.218 3.067 . 0 0 "[ . 1]" 1
719 1 53 GLU QB 1 54 TYR QD . . 4.630 3.863 3.363 3.987 . 0 0 "[ . 1]" 1
720 1 53 GLU QB 1 54 TYR QE . . 5.340 4.854 4.558 5.059 . 0 0 "[ . 1]" 1
721 1 53 GLU HB2 1 54 TYR H . . 3.900 2.840 2.457 3.676 . 0 0 "[ . 1]" 1
722 1 53 GLU HB2 1 54 TYR QD . . 5.500 4.657 4.208 5.511 0.011 1 0 "[ . 1]" 1
723 1 53 GLU HB3 1 54 TYR H . . 3.900 2.816 2.253 3.097 . 0 0 "[ . 1]" 1
724 1 53 GLU HB3 1 54 TYR QD . . 5.500 4.281 3.415 4.557 . 0 0 "[ . 1]" 1
725 1 54 TYR H 1 54 TYR HB3 . . 4.040 3.481 3.448 3.511 . 0 0 "[ . 1]" 1
726 1 54 TYR H 1 54 TYR QD . . 3.980 3.374 2.964 3.539 . 0 0 "[ . 1]" 1
727 1 54 TYR HA 1 54 TYR QD . . 3.980 2.297 2.145 2.659 . 0 0 "[ . 1]" 1
728 1 54 TYR HA 1 54 TYR QE . . 5.260 4.252 4.207 4.405 . 0 0 "[ . 1]" 1
729 1 54 TYR HA 1 56 ILE MG . . 4.950 4.681 4.175 4.956 0.006 7 0 "[ . 1]" 1
730 1 54 TYR HB2 1 55 GLY H . . 4.370 3.159 3.123 3.201 . 0 0 "[ . 1]" 1
731 1 54 TYR HB2 1 56 ILE MD . . 4.220 3.235 3.069 3.599 . 0 0 "[ . 1]" 1
732 1 54 TYR HB3 1 55 GLY H . . 4.880 3.632 3.576 3.690 . 0 0 "[ . 1]" 1
733 1 54 TYR HB3 1 56 ILE MG . . 4.190 2.835 2.431 3.083 . 0 0 "[ . 1]" 1
734 1 54 TYR QD 1 55 GLY H . . 4.780 4.747 4.682 4.773 . 0 0 "[ . 1]" 1
735 1 54 TYR QD 1 56 ILE MD . . 4.720 3.495 3.211 3.857 . 0 0 "[ . 1]" 1
736 1 54 TYR QD 1 76 ILE MD . . 4.640 2.605 2.391 2.893 . 0 0 "[ . 1]" 1
737 1 54 TYR QD 1 76 ILE MG . . 4.400 3.386 2.753 3.804 . 0 0 "[ . 1]" 1
738 1 54 TYR QE 1 76 ILE MD . . 4.370 2.635 2.379 2.780 . 0 0 "[ . 1]" 1
739 1 54 TYR QE 1 76 ILE MG . . 4.560 3.528 2.568 4.053 . 0 0 "[ . 1]" 1
740 1 55 GLY H 1 56 ILE H . . 3.730 2.440 2.308 2.683 . 0 0 "[ . 1]" 1
741 1 55 GLY H 1 56 ILE MG . . 4.470 4.382 4.307 4.451 . 0 0 "[ . 1]" 1
742 1 56 ILE H 1 56 ILE MD . . 4.810 3.835 3.775 3.953 . 0 0 "[ . 1]" 1
743 1 56 ILE H 1 56 ILE QG . . 4.510 2.135 2.076 2.280 . 0 0 "[ . 1]" 1
744 1 56 ILE H 1 56 ILE MG . . 3.710 3.023 2.723 3.208 . 0 0 "[ . 1]" 1
745 1 56 ILE H 1 57 ASP H . . 4.640 4.420 4.389 4.463 . 0 0 "[ . 1]" 1
746 1 56 ILE HA 1 57 ASP H . . 3.330 2.583 2.325 2.641 . 0 0 "[ . 1]" 1
747 1 56 ILE HA 1 79 ARG QD . . 4.660 3.863 3.462 4.045 . 0 0 "[ . 1]" 1
748 1 56 ILE HB 1 56 ILE MD . . 3.270 2.331 2.199 2.452 . 0 0 "[ . 1]" 1
749 1 56 ILE HB 1 57 ASP H . . 3.480 2.015 1.946 2.571 . 0 0 "[ . 1]" 1
750 1 56 ILE MD 1 57 ASP H . . 5.070 3.785 3.387 4.510 . 0 0 "[ . 1]" 1
751 1 56 ILE MD 1 58 ILE QG . . 3.640 2.828 2.558 3.154 . 0 0 "[ . 1]" 1
752 1 56 ILE MD 1 75 TYR QD . . 4.470 3.787 3.447 4.144 . 0 0 "[ . 1]" 1
753 1 56 ILE MD 1 75 TYR QE . . 4.050 3.593 3.152 4.053 0.003 7 0 "[ . 1]" 1
754 1 56 ILE MD 1 76 ILE HA . . 3.910 2.959 2.793 3.104 . 0 0 "[ . 1]" 1
755 1 56 ILE MD 1 76 ILE MD . . 3.750 2.546 2.038 2.721 . 0 0 "[ . 1]" 1
756 1 56 ILE MD 1 76 ILE QG . . 3.980 2.094 1.955 2.358 . 0 0 "[ . 1]" 1
757 1 56 ILE MD 1 76 ILE MG . . 3.320 2.060 1.894 2.240 . 0 0 "[ . 1]" 1
758 1 56 ILE MD 1 79 ARG HB2 . . 4.210 3.828 3.438 4.090 . 0 0 "[ . 1]" 1
759 1 56 ILE MD 1 79 ARG HD2 . . 3.530 2.614 2.082 3.511 . 0 0 "[ . 1]" 1
760 1 56 ILE MD 1 79 ARG QD . . 3.080 2.394 2.067 3.021 . 0 0 "[ . 1]" 1
761 1 56 ILE MD 1 79 ARG HD3 . . 3.530 3.179 2.396 3.525 . 0 0 "[ . 1]" 1
762 1 56 ILE MD 1 80 GLN HA . . 5.070 4.706 3.973 5.082 0.012 2 0 "[ . 1]" 1
763 1 56 ILE MD 1 80 GLN QE . . 3.830 2.979 2.441 3.683 . 0 0 "[ . 1]" 1
764 1 56 ILE MD 1 80 GLN HG2 . . 4.820 3.684 2.935 4.116 . 0 0 "[ . 1]" 1
765 1 56 ILE QG 1 56 ILE MG . . 3.140 2.236 2.108 2.343 . 0 0 "[ . 1]" 1
766 1 56 ILE QG 1 57 ASP H . . 4.490 3.379 2.982 3.900 . 0 0 "[ . 1]" 1
767 1 56 ILE QG 1 57 ASP HA . . 5.340 4.044 3.722 4.511 . 0 0 "[ . 1]" 1
768 1 56 ILE QG 1 79 ARG QD . . 4.220 3.560 3.244 3.876 . 0 0 "[ . 1]" 1
769 1 56 ILE MG 1 57 ASP H . . 4.410 3.431 3.308 3.562 . 0 0 "[ . 1]" 1
770 1 56 ILE MG 1 76 ILE HA . . 5.500 4.376 4.060 4.769 . 0 0 "[ . 1]" 1
771 1 56 ILE MG 1 76 ILE MG . . 3.880 3.085 2.661 3.315 . 0 0 "[ . 1]" 1
772 1 56 ILE MG 1 79 ARG QD . . 3.330 2.349 2.105 2.594 . 0 0 "[ . 1]" 1
773 1 57 ASP H 1 57 ASP QB . . 3.320 2.487 2.195 2.699 . 0 0 "[ . 1]" 1
774 1 57 ASP H 1 58 ILE MD . . 5.280 3.686 3.135 5.063 . 0 0 "[ . 1]" 1
775 1 57 ASP H 1 79 ARG QD . . 3.530 2.714 1.996 3.237 . 0 0 "[ . 1]" 1
776 1 58 ILE H 1 58 ILE MD . . 5.020 3.083 2.598 4.273 . 0 0 "[ . 1]" 1
777 1 58 ILE H 1 58 ILE QG . . 5.040 3.426 2.965 3.630 . 0 0 "[ . 1]" 1
778 1 58 ILE HA 1 58 ILE MD . . 4.150 3.514 3.335 3.870 . 0 0 "[ . 1]" 1
779 1 58 ILE HA 1 58 ILE MG . . 3.690 2.335 2.302 2.352 . 0 0 "[ . 1]" 1
780 1 58 ILE HA 1 59 PRO HD3 . . 3.680 2.577 2.571 2.579 . 0 0 "[ . 1]" 1
781 1 58 ILE HA 1 75 TYR QE . . 5.110 3.851 3.581 4.088 . 0 0 "[ . 1]" 1
782 1 58 ILE HB 1 58 ILE MD . . 3.040 2.180 2.053 2.405 . 0 0 "[ . 1]" 1
783 1 58 ILE HB 1 63 ALA HA . . 5.140 4.635 4.522 4.909 . 0 0 "[ . 1]" 1
784 1 58 ILE HB 1 63 ALA MB . . 5.390 5.173 4.974 5.355 . 0 0 "[ . 1]" 1
785 1 58 ILE MD 1 58 ILE MG . . 3.310 2.857 1.922 3.150 . 0 0 "[ . 1]" 1
786 1 58 ILE MD 1 75 TYR QD . . 4.590 4.336 3.351 4.607 0.017 7 0 "[ . 1]" 1
787 1 58 ILE MD 1 75 TYR QE . . 4.390 3.802 3.208 4.314 . 0 0 "[ . 1]" 1
788 1 58 ILE MD 1 79 ARG QD . . 4.040 3.779 3.216 4.052 0.012 8 0 "[ . 1]" 1
789 1 58 ILE QG 1 58 ILE MG . . 3.250 2.055 1.929 2.338 . 0 0 "[ . 1]" 1
790 1 58 ILE QG 1 62 GLU QG . . 5.000 4.975 4.923 5.014 0.014 2 0 "[ . 1]" 1
791 1 58 ILE QG 1 66 ILE MG . . 4.440 2.614 2.290 3.362 . 0 0 "[ . 1]" 1
792 1 58 ILE QG 1 75 TYR QE . . 4.960 2.525 2.201 2.931 . 0 0 "[ . 1]" 1
793 1 58 ILE MG 1 59 PRO HG2 . . 4.360 4.239 4.155 4.313 . 0 0 "[ . 1]" 1
794 1 58 ILE MG 1 60 ASP HA . . 5.250 4.577 4.544 4.633 . 0 0 "[ . 1]" 1
795 1 58 ILE MG 1 62 GLU H . . 5.050 3.746 3.599 3.807 . 0 0 "[ . 1]" 1
796 1 58 ILE MG 1 62 GLU HA . . 5.500 4.239 4.205 4.281 . 0 0 "[ . 1]" 1
797 1 58 ILE MG 1 62 GLU HB2 . . 4.430 2.245 2.210 2.298 . 0 0 "[ . 1]" 1
798 1 58 ILE MG 1 62 GLU HB3 . . 4.500 3.165 2.961 3.318 . 0 0 "[ . 1]" 1
799 1 58 ILE MG 1 62 GLU HG2 . . 4.500 4.424 4.325 4.503 0.003 9 0 "[ . 1]" 1
800 1 58 ILE MG 1 62 GLU QG . . 3.860 3.835 3.754 3.864 0.004 7 0 "[ . 1]" 1
801 1 58 ILE MG 1 62 GLU HG3 . . 4.500 4.211 4.019 4.297 . 0 0 "[ . 1]" 1
802 1 58 ILE MG 1 63 ALA H . . 4.130 3.629 3.538 3.756 . 0 0 "[ . 1]" 1
803 1 58 ILE MG 1 63 ALA HA . . 3.680 2.336 2.225 2.653 . 0 0 "[ . 1]" 1
804 1 58 ILE MG 1 63 ALA MB . . 3.370 3.273 3.078 3.384 0.014 10 0 "[ . 1]" 1
805 1 58 ILE MG 1 66 ILE H . . 4.810 4.310 3.905 4.674 . 0 0 "[ . 1]" 1
806 1 58 ILE MG 1 66 ILE HA . . 5.500 5.363 5.177 5.509 0.009 8 0 "[ . 1]" 1
807 1 58 ILE MG 1 66 ILE MD . . 3.750 2.169 1.754 2.557 . 0 0 "[ . 1]" 1
808 1 58 ILE MG 1 66 ILE HG12 . . 4.140 3.814 3.641 4.061 . 0 0 "[ . 1]" 1
809 1 58 ILE MG 1 66 ILE MG . . 3.590 2.473 2.383 2.594 . 0 0 "[ . 1]" 1
810 1 58 ILE MG 1 75 TYR QE . . 4.420 3.607 3.101 3.838 . 0 0 "[ . 1]" 1
811 1 59 PRO HA 1 60 ASP H . . 3.370 2.355 2.353 2.358 . 0 0 "[ . 1]" 1
812 1 59 PRO HB2 1 60 ASP H . . 4.180 2.730 2.723 2.734 . 0 0 "[ . 1]" 1
813 1 59 PRO HB2 1 60 ASP HA . . 5.460 4.764 4.761 4.766 . 0 0 "[ . 1]" 1
814 1 59 PRO HB2 1 61 ASP H . . 4.080 2.463 2.367 2.556 . 0 0 "[ . 1]" 1
815 1 59 PRO HB2 1 62 GLU H . . 3.740 3.470 3.453 3.495 . 0 0 "[ . 1]" 1
816 1 59 PRO HD2 1 62 GLU HA . . 5.500 5.317 5.265 5.356 . 0 0 "[ . 1]" 1
817 1 59 PRO HD2 1 62 GLU HB2 . . 4.790 2.466 2.448 2.484 . 0 0 "[ . 1]" 1
818 1 59 PRO HD2 1 62 GLU HB3 . . 4.170 3.975 3.936 4.002 . 0 0 "[ . 1]" 1
819 1 59 PRO HD2 1 62 GLU HG2 . . 4.680 3.331 3.132 3.581 . 0 0 "[ . 1]" 1
820 1 59 PRO HD2 1 62 GLU HG3 . . 4.680 3.001 2.753 3.099 . 0 0 "[ . 1]" 1
821 1 59 PRO HD3 1 62 GLU HB2 . . 4.220 4.221 4.206 4.228 0.008 2 0 "[ . 1]" 1
822 1 59 PRO HD3 1 62 GLU QG . . 4.620 4.051 3.976 4.169 . 0 0 "[ . 1]" 1
823 1 59 PRO HG2 1 62 GLU H . . 3.810 2.552 2.492 2.623 . 0 0 "[ . 1]" 1
824 1 59 PRO HG2 1 62 GLU HG2 . . 3.210 2.245 2.105 2.531 . 0 0 "[ . 1]" 1
825 1 59 PRO HG2 1 62 GLU QG . . 2.760 2.192 2.078 2.430 . 0 0 "[ . 1]" 1
826 1 59 PRO HG2 1 62 GLU HG3 . . 3.210 3.128 2.915 3.207 . 0 0 "[ . 1]" 1
827 1 59 PRO HG2 1 63 ALA H . . 5.070 4.801 4.757 4.911 . 0 0 "[ . 1]" 1
828 1 60 ASP H 1 60 ASP QB . . 3.320 2.414 2.224 2.686 . 0 0 "[ . 1]" 1
829 1 60 ASP HA 1 63 ALA H . . 4.190 3.156 3.123 3.204 . 0 0 "[ . 1]" 1
830 1 60 ASP HA 1 63 ALA MB . . 3.400 1.959 1.910 2.024 . 0 0 "[ . 1]" 1
831 1 60 ASP QB 1 61 ASP H . . 3.330 2.773 2.573 3.338 0.008 10 0 "[ . 1]" 1
832 1 60 ASP QB 1 63 ALA H . . 5.340 4.478 4.362 4.736 . 0 0 "[ . 1]" 1
833 1 60 ASP QB 1 63 ALA MB . . 4.550 3.494 3.360 3.757 . 0 0 "[ . 1]" 1
834 1 61 ASP H 1 61 ASP QB . . 3.460 2.295 2.181 2.517 . 0 0 "[ . 1]" 1
835 1 61 ASP H 1 62 GLU H . . 3.740 2.702 2.640 2.754 . 0 0 "[ . 1]" 1
836 1 61 ASP H 1 62 GLU HA . . 5.370 5.320 5.272 5.357 . 0 0 "[ . 1]" 1
837 1 61 ASP H 1 63 ALA H . . 4.950 3.852 3.802 3.897 . 0 0 "[ . 1]" 1
838 1 61 ASP HA 1 63 ALA MB . . 4.960 4.665 4.612 4.736 . 0 0 "[ . 1]" 1
839 1 61 ASP QB 1 62 GLU H . . 4.120 2.710 2.660 2.752 . 0 0 "[ . 1]" 1
840 1 61 ASP QB 1 62 GLU HA . . 4.290 4.082 4.038 4.185 . 0 0 "[ . 1]" 1
841 1 61 ASP QB 1 63 ALA H . . 5.340 4.426 4.403 4.466 . 0 0 "[ . 1]" 1
842 1 62 GLU H 1 62 GLU HB2 . . 3.970 2.649 2.596 2.675 . 0 0 "[ . 1]" 1
843 1 62 GLU H 1 62 GLU HG2 . . 4.440 2.448 2.390 2.547 . 0 0 "[ . 1]" 1
844 1 62 GLU H 1 62 GLU HG3 . . 4.440 3.822 3.752 3.865 . 0 0 "[ . 1]" 1
845 1 62 GLU H 1 63 ALA H . . 3.360 2.375 2.370 2.385 . 0 0 "[ . 1]" 1
846 1 62 GLU H 1 63 ALA MB . . 4.050 3.940 3.885 4.005 . 0 0 "[ . 1]" 1
847 1 62 GLU HA 1 62 GLU HG2 . . 4.230 3.146 2.976 3.243 . 0 0 "[ . 1]" 1
848 1 62 GLU HA 1 62 GLU QG . . 3.640 3.008 2.880 3.077 . 0 0 "[ . 1]" 1
849 1 62 GLU HA 1 62 GLU HG3 . . 4.230 3.835 3.826 3.850 . 0 0 "[ . 1]" 1
850 1 62 GLU HA 1 64 THR H . . 3.960 3.270 3.125 3.542 . 0 0 "[ . 1]" 1
851 1 62 GLU HA 1 65 LYS QG . . 4.170 3.269 2.009 4.183 0.013 10 0 "[ . 1]" 1
852 1 62 GLU HA 1 75 TYR QE . . 5.340 4.669 4.193 5.354 0.014 5 0 "[ . 1]" 1
853 1 62 GLU HB2 1 63 ALA H . . 3.920 3.788 3.784 3.794 . 0 0 "[ . 1]" 1
854 1 62 GLU HB2 1 63 ALA HA . . 4.980 4.447 4.419 4.484 . 0 0 "[ . 1]" 1
855 1 62 GLU HB2 1 63 ALA MB . . 5.500 4.919 4.819 5.023 . 0 0 "[ . 1]" 1
856 1 62 GLU HB2 1 75 TYR QE . . 4.840 3.909 3.767 4.127 . 0 0 "[ . 1]" 1
857 1 62 GLU HB3 1 62 GLU QG . . 2.420 2.369 2.339 2.417 . 0 0 "[ . 1]" 1
858 1 62 GLU HB3 1 63 ALA H . . 5.390 4.452 4.425 4.466 . 0 0 "[ . 1]" 1
859 1 62 GLU HB3 1 63 ALA HA . . 5.230 5.058 4.947 5.161 . 0 0 "[ . 1]" 1
860 1 62 GLU HB3 1 64 THR H . . 5.500 4.930 4.756 5.199 . 0 0 "[ . 1]" 1
861 1 62 GLU HB3 1 75 TYR QE . . 4.450 3.038 2.661 3.610 . 0 0 "[ . 1]" 1
862 1 62 GLU QG 1 75 TYR QE . . 4.480 3.123 2.754 3.754 . 0 0 "[ . 1]" 1
863 1 62 GLU HG2 1 75 TYR QE . . 5.180 4.461 4.230 5.167 . 0 0 "[ . 1]" 1
864 1 62 GLU HG3 1 75 TYR QE . . 5.180 3.192 2.791 3.855 . 0 0 "[ . 1]" 1
865 1 63 ALA H 1 63 ALA MB . . 3.290 2.207 2.193 2.222 . 0 0 "[ . 1]" 1
866 1 63 ALA H 1 64 THR H . . 3.940 2.624 2.522 2.759 . 0 0 "[ . 1]" 1
867 1 63 ALA HA 1 64 THR MG . . 5.060 4.730 4.571 5.070 0.010 6 0 "[ . 1]" 1
868 1 63 ALA HA 1 66 ILE MD . . 4.420 2.318 2.105 2.710 . 0 0 "[ . 1]" 1
869 1 63 ALA HA 1 66 ILE HG12 . . 5.500 4.993 4.738 5.496 . 0 0 "[ . 1]" 1
870 1 63 ALA MB 1 64 THR H . . 3.370 2.973 2.695 3.131 . 0 0 "[ . 1]" 1
871 1 63 ALA MB 1 64 THR HA . . 4.060 4.021 3.941 4.065 0.005 9 0 "[ . 1]" 1
872 1 63 ALA MB 1 66 ILE MD . . 3.880 3.403 3.182 3.724 . 0 0 "[ . 1]" 1
873 1 64 THR H 1 64 THR HB . . 4.090 3.553 2.837 3.750 . 0 0 "[ . 1]" 1
874 1 64 THR H 1 64 THR MG . . 3.650 2.486 1.931 2.786 . 0 0 "[ . 1]" 1
875 1 64 THR H 1 65 LYS H . . 3.790 2.393 2.103 2.607 . 0 0 "[ . 1]" 1
876 1 64 THR H 1 65 LYS HB2 . . 5.500 4.054 3.951 4.599 . 0 0 "[ . 1]" 1
877 1 64 THR H 1 65 LYS HB3 . . 5.500 5.386 4.905 5.560 0.060 3 0 "[ . 1]" 1
878 1 64 THR H 1 66 ILE MD . . 4.440 3.833 3.559 4.187 . 0 0 "[ . 1]" 1
879 1 64 THR HA 1 64 THR HB . . 2.550 2.438 2.383 2.553 0.003 5 0 "[ . 1]" 1
880 1 64 THR HA 1 64 THR MG . . 3.300 2.530 2.301 3.195 . 0 0 "[ . 1]" 1
881 1 64 THR HB 1 65 LYS H . . 4.870 4.388 4.083 4.521 . 0 0 "[ . 1]" 1
882 1 64 THR HB 1 66 ILE MD . . 5.500 5.413 5.206 5.518 0.018 1 0 "[ . 1]" 1
883 1 64 THR HB 1 67 LYS HB2 . . 5.450 4.484 3.969 4.953 . 0 0 "[ . 1]" 1
884 1 64 THR HB 1 67 LYS HB3 . . 5.500 5.049 4.436 5.485 . 0 0 "[ . 1]" 1
885 1 64 THR MG 1 65 LYS H . . 4.440 3.989 3.107 4.292 . 0 0 "[ . 1]" 1
886 1 65 LYS H 1 65 LYS QB . . 3.470 2.365 2.099 2.729 . 0 0 "[ . 1]" 1
887 1 65 LYS H 1 65 LYS QE . . 5.110 4.742 3.714 5.123 0.013 3 0 "[ . 1]" 1
888 1 65 LYS H 1 65 LYS QG . . 4.590 3.416 2.511 4.187 . 0 0 "[ . 1]" 1
889 1 65 LYS HA 1 65 LYS QE . . 4.110 3.506 2.364 4.103 . 0 0 "[ . 1]" 1
890 1 65 LYS QB 1 65 LYS QE . . 3.440 2.865 1.955 3.455 0.015 7 0 "[ . 1]" 1
891 1 65 LYS QD 1 65 LYS QG . . 2.350 2.041 2.017 2.075 . 0 0 "[ . 1]" 1
892 1 65 LYS QG 1 66 ILE H . . 4.770 4.583 4.300 4.744 . 0 0 "[ . 1]" 1
893 1 65 LYS QG 1 66 ILE MD . . 4.950 4.878 4.268 5.054 0.104 5 0 "[ . 1]" 1
894 1 65 LYS QG 1 66 ILE MG . . 4.430 4.103 3.525 4.463 0.033 2 0 "[ . 1]" 1
895 1 66 ILE H 1 66 ILE HB . . 4.170 3.951 3.949 3.955 . 0 0 "[ . 1]" 1
896 1 66 ILE H 1 66 ILE MD . . 3.890 1.862 1.847 1.882 . 0 0 "[ . 1]" 1
897 1 66 ILE H 1 66 ILE HG12 . . 3.790 3.715 3.692 3.727 . 0 0 "[ . 1]" 1
898 1 66 ILE H 1 67 LYS H . . 5.110 1.892 1.879 1.913 . 0 0 "[ . 1]" 1
899 1 66 ILE H 1 67 LYS HB2 . . 3.760 3.577 3.477 3.654 . 0 0 "[ . 1]" 1
900 1 66 ILE HA 1 66 ILE HG12 . . 4.080 3.645 3.640 3.652 . 0 0 "[ . 1]" 1
901 1 66 ILE HA 1 66 ILE MG . . 3.510 2.491 2.482 2.522 . 0 0 "[ . 1]" 1
902 1 66 ILE HA 1 68 THR H . . 4.770 4.176 4.021 4.371 . 0 0 "[ . 1]" 1
903 1 66 ILE HA 1 71 ASP HA . . 4.860 4.449 4.355 4.518 . 0 0 "[ . 1]" 1
904 1 66 ILE HA 1 71 ASP HB2 . . 3.870 3.291 2.969 3.852 . 0 0 "[ . 1]" 1
905 1 66 ILE HA 1 71 ASP HB3 . . 4.030 2.881 2.466 3.103 . 0 0 "[ . 1]" 1
906 1 66 ILE HA 1 72 VAL QG . . 5.060 2.946 2.636 3.406 . 0 0 "[ . 1]" 1
907 1 66 ILE HA 1 75 TYR HB3 . . 4.000 3.510 3.393 3.630 . 0 0 "[ . 1]" 1
908 1 66 ILE HA 1 76 ILE H . . 4.690 4.719 4.697 4.742 0.052 5 0 "[ . 1]" 1
909 1 66 ILE HA 1 76 ILE QG . . 4.560 4.288 4.221 4.385 . 0 0 "[ . 1]" 1
910 1 66 ILE HB 1 71 ASP HB3 . . 5.500 5.171 4.782 5.377 . 0 0 "[ . 1]" 1
911 1 66 ILE HB 1 72 VAL HA . . 3.730 2.282 2.118 2.452 . 0 0 "[ . 1]" 1
912 1 66 ILE HB 1 76 ILE MD . . 4.240 3.042 2.945 3.115 . 0 0 "[ . 1]" 1
913 1 66 ILE HB 1 76 ILE QG . . 4.200 2.978 2.956 3.002 . 0 0 "[ . 1]" 1
914 1 66 ILE MD 1 67 LYS H . . 4.530 2.501 2.480 2.549 . 0 0 "[ . 1]" 1
915 1 66 ILE MD 1 67 LYS HA . . 4.980 3.126 3.090 3.162 . 0 0 "[ . 1]" 1
916 1 66 ILE MD 1 68 THR H . . 4.690 4.736 4.682 4.781 0.091 3 0 "[ . 1]" 1
917 1 66 ILE MD 1 71 ASP HB3 . . 5.420 4.922 4.686 5.116 . 0 0 "[ . 1]" 1
918 1 66 ILE HG12 1 67 LYS H . . 4.880 3.977 3.966 3.986 . 0 0 "[ . 1]" 1
919 1 66 ILE HG12 1 67 LYS HA . . 3.910 3.587 3.578 3.604 . 0 0 "[ . 1]" 1
920 1 66 ILE HG12 1 67 LYS HB2 . . 5.140 5.041 4.980 5.149 0.009 7 0 "[ . 1]" 1
921 1 66 ILE HG12 1 76 ILE MD . . 4.290 4.368 4.349 4.391 0.101 4 0 "[ . 1]" 1
922 1 66 ILE HG12 1 76 ILE QG . . 4.890 4.906 4.881 4.926 0.036 5 0 "[ . 1]" 1
923 1 66 ILE MG 1 71 ASP HB3 . . 4.220 4.083 3.934 4.169 . 0 0 "[ . 1]" 1
924 1 66 ILE MG 1 72 VAL HA . . 3.890 3.121 2.857 3.383 . 0 0 "[ . 1]" 1
925 1 66 ILE MG 1 72 VAL QG . . 4.110 3.663 3.491 3.867 . 0 0 "[ . 1]" 1
926 1 66 ILE MG 1 76 ILE H . . 4.490 3.289 3.135 3.422 . 0 0 "[ . 1]" 1
927 1 66 ILE MG 1 76 ILE QG . . 4.880 2.681 2.476 2.829 . 0 0 "[ . 1]" 1
928 1 67 LYS H 1 67 LYS HB2 . . 3.990 2.352 2.191 2.439 . 0 0 "[ . 1]" 1
929 1 67 LYS H 1 67 LYS QG . . 4.490 3.963 3.783 4.045 . 0 0 "[ . 1]" 1
930 1 67 LYS H 1 68 THR H . . 3.500 2.621 2.548 2.668 . 0 0 "[ . 1]" 1
931 1 67 LYS H 1 71 ASP H . . 5.500 5.535 5.492 5.605 0.105 2 0 "[ . 1]" 1
932 1 67 LYS H 1 71 ASP HB2 . . 4.790 3.506 3.288 3.977 . 0 0 "[ . 1]" 1
933 1 67 LYS H 1 71 ASP HB3 . . 4.650 3.682 3.360 3.953 . 0 0 "[ . 1]" 1
934 1 67 LYS HA 1 67 LYS QD . . 3.840 3.405 2.300 3.842 0.002 8 0 "[ . 1]" 1
935 1 67 LYS HA 1 67 LYS QE . . 4.620 4.135 2.409 4.623 0.003 7 0 "[ . 1]" 1
936 1 67 LYS HA 1 67 LYS QG . . 3.680 2.297 2.153 2.620 . 0 0 "[ . 1]" 1
937 1 67 LYS HB2 1 68 THR H . . 4.320 3.569 3.363 3.682 . 0 0 "[ . 1]" 1
938 1 68 THR H 1 71 ASP H . . 3.880 3.826 3.732 3.894 0.014 3 0 "[ . 1]" 1
939 1 68 THR H 1 71 ASP HB2 . . 4.350 2.497 2.316 2.865 . 0 0 "[ . 1]" 1
940 1 68 THR H 1 71 ASP HB3 . . 4.230 3.789 3.476 4.040 . 0 0 "[ . 1]" 1
941 1 68 THR H 1 72 VAL H . . 4.960 4.304 3.948 4.532 . 0 0 "[ . 1]" 1
942 1 68 THR H 1 72 VAL QG . . 4.530 3.986 3.632 4.579 0.049 1 0 "[ . 1]" 1
943 1 68 THR HA 1 70 SER H . . 4.890 4.029 3.924 4.204 . 0 0 "[ . 1]" 1
944 1 68 THR HA 1 72 VAL QG . . 4.470 4.115 3.935 4.503 0.033 2 0 "[ . 1]" 1
945 1 68 THR HB 1 69 VAL H . . 3.860 2.914 2.509 3.281 . 0 0 "[ . 1]" 1
946 1 68 THR HB 1 69 VAL MG2 . . 4.750 4.530 4.282 4.761 0.011 4 0 "[ . 1]" 1
947 1 68 THR HB 1 70 SER H . . 3.830 2.311 2.243 2.399 . 0 0 "[ . 1]" 1
948 1 68 THR HB 1 70 SER QB . . 4.790 3.263 2.780 3.832 . 0 0 "[ . 1]" 1
949 1 68 THR HB 1 71 ASP HB2 . . 4.350 3.533 2.997 3.885 . 0 0 "[ . 1]" 1
950 1 68 THR HB 1 72 VAL QG . . 4.660 4.612 4.507 4.696 0.036 7 0 "[ . 1]" 1
951 1 68 THR MG 1 69 VAL H . . 3.570 3.027 2.547 3.367 . 0 0 "[ . 1]" 1
952 1 68 THR MG 1 70 SER H . . 4.450 3.607 3.031 3.918 . 0 0 "[ . 1]" 1
953 1 68 THR MG 1 71 ASP H . . 4.890 4.159 3.972 4.254 . 0 0 "[ . 1]" 1
954 1 68 THR MG 1 71 ASP HB2 . . 5.130 4.327 4.120 4.656 . 0 0 "[ . 1]" 1
955 1 69 VAL H 1 69 VAL HB . . 3.730 2.628 2.526 2.690 . 0 0 "[ . 1]" 1
956 1 69 VAL H 1 69 VAL MG1 . . 4.100 3.761 3.756 3.766 . 0 0 "[ . 1]" 1
957 1 69 VAL H 1 69 VAL MG2 . . 3.280 2.023 1.904 2.284 . 0 0 "[ . 1]" 1
958 1 69 VAL H 1 70 SER H . . 3.990 2.690 2.575 2.756 . 0 0 "[ . 1]" 1
959 1 69 VAL HA 1 69 VAL MG1 . . 3.120 2.298 2.246 2.326 . 0 0 "[ . 1]" 1
960 1 69 VAL HA 1 69 VAL MG2 . . 3.200 2.374 2.277 2.441 . 0 0 "[ . 1]" 1
961 1 69 VAL HA 1 70 SER QB . . 5.340 5.216 5.171 5.308 . 0 0 "[ . 1]" 1
962 1 69 VAL HB 1 70 SER H . . 3.820 2.898 2.842 2.973 . 0 0 "[ . 1]" 1
963 1 69 VAL MG1 1 70 SER H . . 4.700 3.778 3.683 3.856 . 0 0 "[ . 1]" 1
964 1 69 VAL MG1 1 73 ILE QG . . 3.310 3.159 2.698 3.337 0.027 10 0 "[ . 1]" 1
965 1 69 VAL MG2 1 70 SER H . . 3.940 3.858 3.787 3.954 0.014 5 0 "[ . 1]" 1
966 1 70 SER H 1 70 SER QB . . 3.200 2.287 2.226 2.373 . 0 0 "[ . 1]" 1
967 1 70 SER H 1 71 ASP H . . 3.960 2.397 2.341 2.445 . 0 0 "[ . 1]" 1
968 1 70 SER HA 1 70 SER QB . . 2.600 2.352 2.173 2.485 . 0 0 "[ . 1]" 1
969 1 70 SER QB 1 71 ASP H . . 3.770 2.990 2.710 3.531 . 0 0 "[ . 1]" 1
970 1 71 ASP H 1 71 ASP HB2 . . 4.070 2.327 2.131 2.466 . 0 0 "[ . 1]" 1
971 1 71 ASP H 1 71 ASP HB3 . . 3.620 3.542 3.307 3.621 0.001 10 0 "[ . 1]" 1
972 1 71 ASP H 1 72 VAL H . . 3.560 2.352 2.340 2.375 . 0 0 "[ . 1]" 1
973 1 71 ASP HA 1 74 LYS H . . 4.620 3.408 3.268 3.630 . 0 0 "[ . 1]" 1
974 1 71 ASP HA 1 74 LYS HA . . 5.500 5.022 4.928 5.195 . 0 0 "[ . 1]" 1
975 1 71 ASP HA 1 74 LYS HB3 . . 3.650 2.098 1.959 2.361 . 0 0 "[ . 1]" 1
976 1 71 ASP HA 1 74 LYS HD3 . . 5.380 3.335 3.086 3.770 . 0 0 "[ . 1]" 1
977 1 71 ASP HA 1 75 TYR H . . 4.740 3.511 3.380 3.666 . 0 0 "[ . 1]" 1
978 1 71 ASP HB2 1 72 VAL H . . 4.720 3.043 2.752 3.421 . 0 0 "[ . 1]" 1
979 1 71 ASP HB3 1 72 VAL H . . 3.970 3.744 3.464 3.988 0.018 4 0 "[ . 1]" 1
980 1 72 VAL H 1 72 VAL MG1 . . 3.930 3.209 1.921 3.763 . 0 0 "[ . 1]" 1
981 1 72 VAL H 1 72 VAL QG . . 3.450 2.140 1.916 2.288 . 0 0 "[ . 1]" 1
982 1 72 VAL H 1 72 VAL MG2 . . 3.930 2.706 2.221 3.767 . 0 0 "[ . 1]" 1
983 1 72 VAL H 1 76 ILE MD . . 5.500 5.294 5.142 5.435 . 0 0 "[ . 1]" 1
984 1 72 VAL HA 1 72 VAL QG . . 3.140 2.181 2.099 2.330 . 0 0 "[ . 1]" 1
985 1 72 VAL HA 1 75 TYR HB3 . . 4.540 3.556 3.154 3.806 . 0 0 "[ . 1]" 1
986 1 72 VAL HA 1 76 ILE MD . . 4.810 3.285 3.139 3.479 . 0 0 "[ . 1]" 1
987 1 72 VAL QG 1 73 ILE H . . 3.740 2.531 2.036 2.771 . 0 0 "[ . 1]" 1
988 1 72 VAL QG 1 73 ILE HA . . 4.190 3.116 3.063 3.254 . 0 0 "[ . 1]" 1
989 1 72 VAL QG 1 73 ILE MD . . 4.940 2.300 2.101 2.551 . 0 0 "[ . 1]" 1
990 1 72 VAL QG 1 73 ILE QG . . 3.130 2.693 1.995 3.135 0.005 7 0 "[ . 1]" 1
991 1 72 VAL QG 1 76 ILE H . . 5.200 3.991 3.858 4.108 . 0 0 "[ . 1]" 1
992 1 72 VAL QG 1 76 ILE MD . . 4.040 1.716 1.691 1.840 . 0 0 "[ . 1]" 1
993 1 72 VAL MG1 1 73 ILE H . . 4.390 2.595 2.048 2.869 . 0 0 "[ . 1]" 1
994 1 72 VAL MG2 1 73 ILE H . . 4.390 3.639 3.537 3.713 . 0 0 "[ . 1]" 1
995 1 73 ILE H 1 73 ILE HB . . 3.340 2.595 2.493 2.668 . 0 0 "[ . 1]" 1
996 1 73 ILE H 1 73 ILE MD . . 3.190 3.096 2.849 3.272 0.082 1 0 "[ . 1]" 1
997 1 73 ILE H 1 74 LYS H . . 3.840 2.503 2.345 2.623 . 0 0 "[ . 1]" 1
998 1 73 ILE H 1 76 ILE MD . . 5.500 4.488 4.106 4.869 . 0 0 "[ . 1]" 1
999 1 73 ILE HA 1 73 ILE MD . . 3.400 2.018 1.966 2.093 . 0 0 "[ . 1]" 1
1000 1 73 ILE HA 1 73 ILE QG . . 3.560 2.998 2.967 3.058 . 0 0 "[ . 1]" 1
1001 1 73 ILE HA 1 73 ILE MG . . 3.260 2.286 2.207 2.392 . 0 0 "[ . 1]" 1
1002 1 73 ILE HA 1 76 ILE H . . 5.220 4.040 3.821 4.195 . 0 0 "[ . 1]" 1
1003 1 73 ILE HA 1 76 ILE HB . . 4.100 2.792 2.448 3.165 . 0 0 "[ . 1]" 1
1004 1 73 ILE HA 1 76 ILE MD . . 4.520 3.625 3.219 3.890 . 0 0 "[ . 1]" 1
1005 1 73 ILE HA 1 77 LYS H . . 4.780 3.667 3.544 3.772 . 0 0 "[ . 1]" 1
1006 1 73 ILE HB 1 74 LYS H . . 3.510 2.968 2.643 3.020 . 0 0 "[ . 1]" 1
1007 1 73 ILE MD 1 76 ILE MD . . 4.300 3.236 2.892 3.444 . 0 0 "[ . 1]" 1
1008 1 73 ILE QG 1 73 ILE MG . . 3.210 2.244 2.199 2.296 . 0 0 "[ . 1]" 1
1009 1 73 ILE MG 1 74 LYS H . . 3.920 3.810 3.706 3.912 . 0 0 "[ . 1]" 1
1010 1 73 ILE MG 1 74 LYS HA . . 4.310 3.776 3.573 3.939 . 0 0 "[ . 1]" 1
1011 1 74 LYS H 1 74 LYS HB3 . . 3.640 2.424 2.387 2.510 . 0 0 "[ . 1]" 1
1012 1 74 LYS H 1 75 TYR H . . 4.030 2.600 2.378 2.894 . 0 0 "[ . 1]" 1
1013 1 74 LYS H 1 76 ILE HB . . 5.310 5.058 4.858 5.312 0.002 8 0 "[ . 1]" 1
1014 1 74 LYS HA 1 74 LYS HD3 . . 3.910 3.883 3.793 3.948 0.038 4 0 "[ . 1]" 1
1015 1 74 LYS HA 1 74 LYS QE . . 3.890 3.805 3.657 3.890 0.000 7 0 "[ . 1]" 1
1016 1 74 LYS HA 1 74 LYS HG2 . . 3.450 2.491 2.453 2.527 . 0 0 "[ . 1]" 1
1017 1 74 LYS HB3 1 74 LYS HD3 . . 2.830 2.148 2.093 2.216 . 0 0 "[ . 1]" 1
1018 1 74 LYS HB3 1 74 LYS QE . . 4.480 3.742 3.623 3.832 . 0 0 "[ . 1]" 1
1019 1 74 LYS HB3 1 75 TYR H . . 3.350 2.522 2.338 2.772 . 0 0 "[ . 1]" 1
1020 1 74 LYS HB3 1 75 TYR HB2 . . 4.990 4.174 4.107 4.239 . 0 0 "[ . 1]" 1
1021 1 74 LYS QE 1 74 LYS HG2 . . 3.260 2.093 1.989 2.201 . 0 0 "[ . 1]" 1
1022 1 74 LYS QE 1 75 TYR HA . . 4.600 2.654 2.056 3.341 . 0 0 "[ . 1]" 1
1023 1 74 LYS QE 1 78 GLU QB . . 4.660 3.990 3.385 4.514 . 0 0 "[ . 1]" 1
1024 1 74 LYS QE 1 78 GLU QG . . 4.820 4.500 2.859 4.833 0.013 4 0 "[ . 1]" 1
1025 1 74 LYS HG2 1 75 TYR H . . 5.070 4.235 4.052 4.478 . 0 0 "[ . 1]" 1
1026 1 74 LYS HG2 1 75 TYR HA . . 4.900 4.425 4.254 4.623 . 0 0 "[ . 1]" 1
1027 1 75 TYR H 1 75 TYR HB3 . . 3.100 2.429 2.373 2.488 . 0 0 "[ . 1]" 1
1028 1 75 TYR H 1 75 TYR QD . . 4.310 4.182 4.140 4.213 . 0 0 "[ . 1]" 1
1029 1 75 TYR H 1 76 ILE H . . 3.900 2.633 2.573 2.677 . 0 0 "[ . 1]" 1
1030 1 75 TYR H 1 77 LYS H . . 4.880 3.754 3.672 3.833 . 0 0 "[ . 1]" 1
1031 1 75 TYR HA 1 75 TYR QD . . 3.960 2.941 2.757 3.058 . 0 0 "[ . 1]" 1
1032 1 75 TYR HB3 1 76 ILE H . . 3.590 2.267 2.129 2.357 . 0 0 "[ . 1]" 1
1033 1 75 TYR HB3 1 76 ILE MD . . 4.960 4.763 4.668 4.841 . 0 0 "[ . 1]" 1
1034 1 75 TYR HB3 1 76 ILE QG . . 4.700 3.266 3.131 3.364 . 0 0 "[ . 1]" 1
1035 1 75 TYR QD 1 76 ILE H . . 4.570 2.800 2.563 3.056 . 0 0 "[ . 1]" 1
1036 1 75 TYR QD 1 76 ILE HA . . 4.880 2.842 2.609 3.155 . 0 0 "[ . 1]" 1
1037 1 75 TYR QD 1 79 ARG QD . . 5.040 4.816 4.537 5.034 . 0 0 "[ . 1]" 1
1038 1 75 TYR QE 1 79 ARG HD2 . . 5.040 3.775 3.483 4.054 . 0 0 "[ . 1]" 1
1039 1 75 TYR QE 1 79 ARG QD . . 4.390 3.626 3.394 3.883 . 0 0 "[ . 1]" 1
1040 1 75 TYR QE 1 79 ARG HD3 . . 5.040 4.731 4.234 4.968 . 0 0 "[ . 1]" 1
1041 1 75 TYR QE 1 79 ARG QG . . 5.340 2.074 1.978 2.228 . 0 0 "[ . 1]" 1
1042 1 76 ILE H 1 76 ILE HB . . 3.210 2.547 2.488 2.584 . 0 0 "[ . 1]" 1
1043 1 76 ILE H 1 76 ILE MD . . 4.300 3.614 3.538 3.648 . 0 0 "[ . 1]" 1
1044 1 76 ILE H 1 76 ILE QG . . 3.750 2.084 2.031 2.172 . 0 0 "[ . 1]" 1
1045 1 76 ILE H 1 76 ILE MG . . 4.260 3.766 3.759 3.769 . 0 0 "[ . 1]" 1
1046 1 76 ILE H 1 77 LYS H . . 3.780 2.800 2.772 2.840 . 0 0 "[ . 1]" 1
1047 1 76 ILE HA 1 76 ILE MD . . 3.870 3.791 3.778 3.811 . 0 0 "[ . 1]" 1
1048 1 76 ILE HA 1 76 ILE MG . . 3.610 2.431 2.418 2.444 . 0 0 "[ . 1]" 1
1049 1 76 ILE HA 1 79 ARG H . . 5.000 3.286 2.941 3.517 . 0 0 "[ . 1]" 1
1050 1 76 ILE HA 1 79 ARG QD . . 4.500 3.986 3.658 4.234 . 0 0 "[ . 1]" 1
1051 1 76 ILE HA 1 80 GLN HG2 . . 4.890 3.987 3.646 4.165 . 0 0 "[ . 1]" 1
1052 1 76 ILE HB 1 77 LYS H . . 3.270 2.894 2.722 2.986 . 0 0 "[ . 1]" 1
1053 1 76 ILE HB 1 77 LYS HA . . 4.800 4.320 4.254 4.402 . 0 0 "[ . 1]" 1
1054 1 76 ILE MD 1 76 ILE MG . . 2.410 1.997 1.974 2.048 . 0 0 "[ . 1]" 1
1055 1 76 ILE MD 1 77 LYS H . . 4.880 4.831 4.703 4.922 0.042 6 0 "[ . 1]" 1
1056 1 76 ILE MG 1 77 LYS H . . 4.460 3.535 3.441 3.630 . 0 0 "[ . 1]" 1
1057 1 76 ILE MG 1 77 LYS HA . . 4.500 3.445 3.380 3.559 . 0 0 "[ . 1]" 1
1058 1 76 ILE MG 1 79 ARG HB3 . . 4.270 3.219 2.870 3.541 . 0 0 "[ . 1]" 1
1059 1 76 ILE MG 1 80 GLN H . . 5.080 3.587 3.289 3.769 . 0 0 "[ . 1]" 1
1060 1 76 ILE MG 1 80 GLN HE21 . . 5.210 2.590 1.960 3.303 . 0 0 "[ . 1]" 1
1061 1 76 ILE MG 1 80 GLN QE . . 4.410 2.528 1.947 3.178 . 0 0 "[ . 1]" 1
1062 1 76 ILE MG 1 80 GLN HE22 . . 5.210 3.762 3.241 4.166 . 0 0 "[ . 1]" 1
1063 1 76 ILE MG 1 80 GLN HG2 . . 4.220 2.201 1.956 2.334 . 0 0 "[ . 1]" 1
1064 1 77 LYS H 1 77 LYS HB2 . . 3.980 2.758 2.695 2.826 . 0 0 "[ . 1]" 1
1065 1 77 LYS H 1 77 LYS HB3 . . 3.980 2.310 2.262 2.365 . 0 0 "[ . 1]" 1
1066 1 77 LYS H 1 77 LYS QG . . 4.660 3.901 3.866 3.934 . 0 0 "[ . 1]" 1
1067 1 77 LYS H 1 78 GLU H . . 4.040 2.973 2.773 3.094 . 0 0 "[ . 1]" 1
1068 1 77 LYS H 1 79 ARG H . . 5.140 3.728 3.689 3.833 . 0 0 "[ . 1]" 1
1069 1 77 LYS HA 1 77 LYS QD . . 4.380 3.813 3.674 4.245 . 0 0 "[ . 1]" 1
1070 1 77 LYS HA 1 77 LYS QG . . 3.620 2.617 2.558 2.698 . 0 0 "[ . 1]" 1
1071 1 77 LYS HA 1 80 GLN H . . 5.020 3.816 3.583 4.109 . 0 0 "[ . 1]" 1
1072 1 77 LYS HA 1 80 GLN HG2 . . 4.180 4.105 3.915 4.191 0.011 2 0 "[ . 1]" 1
1073 1 77 LYS QB 1 77 LYS QD . . 2.920 2.124 2.035 2.280 . 0 0 "[ . 1]" 1
1074 1 77 LYS QB 1 78 GLU H . . 4.430 2.351 2.173 2.695 . 0 0 "[ . 1]" 1
1075 1 77 LYS HB2 1 78 GLU H . . 5.100 3.783 3.673 4.040 . 0 0 "[ . 1]" 1
1076 1 77 LYS HB3 1 78 GLU H . . 5.100 2.375 2.189 2.737 . 0 0 "[ . 1]" 1
1077 1 77 LYS QG 1 78 GLU HA . . 4.330 3.185 3.034 3.503 . 0 0 "[ . 1]" 1
1078 1 77 LYS QG 1 79 ARG H . . 5.190 4.559 4.389 4.897 . 0 0 "[ . 1]" 1
1079 1 78 GLU H 1 78 GLU QB . . 3.020 2.252 2.061 2.556 . 0 0 "[ . 1]" 1
1080 1 78 GLU H 1 78 GLU QG . . 4.010 3.264 2.195 3.988 . 0 0 "[ . 1]" 1
1081 1 78 GLU H 1 79 ARG H . . 3.580 2.514 2.255 2.646 . 0 0 "[ . 1]" 1
1082 1 78 GLU HA 1 78 GLU QG . . 3.600 2.529 2.183 3.162 . 0 0 "[ . 1]" 1
1083 1 79 ARG H 1 79 ARG HB2 . . 3.320 2.235 2.173 2.282 . 0 0 "[ . 1]" 1
1084 1 79 ARG H 1 79 ARG HB3 . . 3.630 2.905 2.840 3.003 . 0 0 "[ . 1]" 1
1085 1 79 ARG H 1 79 ARG QD . . 5.090 4.524 4.459 4.692 . 0 0 "[ . 1]" 1
1086 1 79 ARG H 1 79 ARG QG . . 4.230 3.833 3.762 3.877 . 0 0 "[ . 1]" 1
1087 1 79 ARG H 1 80 GLN H . . 2.630 2.516 2.480 2.583 . 0 0 "[ . 1]" 1
1088 1 79 ARG HA 1 79 ARG HD2 . . 4.570 4.268 4.014 4.376 . 0 0 "[ . 1]" 1
1089 1 79 ARG HA 1 79 ARG QD . . 3.760 3.206 3.010 3.647 . 0 0 "[ . 1]" 1
1090 1 79 ARG HA 1 79 ARG HD3 . . 4.570 3.322 3.109 3.907 . 0 0 "[ . 1]" 1
1091 1 79 ARG HA 1 79 ARG QG . . 3.080 2.193 2.129 2.357 . 0 0 "[ . 1]" 1
1092 1 79 ARG HB2 1 80 GLN H . . 5.220 3.607 3.447 3.728 . 0 0 "[ . 1]" 1
1093 1 79 ARG HB3 1 79 ARG HD2 . . 4.150 2.924 2.317 3.417 . 0 0 "[ . 1]" 1
1094 1 79 ARG HB3 1 79 ARG QD . . 3.620 2.199 2.071 2.281 . 0 0 "[ . 1]" 1
1095 1 79 ARG HB3 1 79 ARG HD3 . . 4.150 2.343 2.088 2.711 . 0 0 "[ . 1]" 1
1096 1 79 ARG HB3 1 80 GLN HA . . 4.240 3.977 3.845 4.238 . 0 0 "[ . 1]" 1
1097 1 79 ARG QD 1 80 GLN HA . . 4.060 3.694 3.473 3.929 . 0 0 "[ . 1]" 1
1098 1 79 ARG QD 1 80 GLN QE . . 5.180 4.400 3.881 5.028 . 0 0 "[ . 1]" 1
1099 1 79 ARG QD 1 80 GLN HG2 . . 4.670 4.425 3.908 4.674 0.004 7 0 "[ . 1]" 1
1100 1 80 GLN H 1 80 GLN QB . . 3.120 2.347 2.226 2.992 . 0 0 "[ . 1]" 1
1101 1 80 GLN H 1 80 GLN HG2 . . 3.790 2.571 1.997 2.768 . 0 0 "[ . 1]" 1
1102 1 80 GLN H 1 81 SER H . . 4.840 4.342 2.539 4.645 . 0 0 "[ . 1]" 1
1103 1 80 GLN HA 1 80 GLN QE . . 5.230 3.434 2.018 4.186 . 0 0 "[ . 1]" 1
1104 1 80 GLN HA 1 80 GLN HG2 . . 3.610 2.813 2.498 3.658 0.048 2 0 "[ . 1]" 1
1105 1 80 GLN HA 1 81 SER H . . 3.220 2.337 2.142 3.185 . 0 0 "[ . 1]" 1
1106 1 80 GLN QB 1 80 GLN HG2 . . 2.520 2.393 2.330 2.460 . 0 0 "[ . 1]" 1
1107 1 80 GLN QB 1 81 SER H . . 3.850 3.028 2.002 3.593 . 0 0 "[ . 1]" 1
1108 1 80 GLN QE 1 80 GLN HG2 . . 3.390 2.298 2.115 2.650 . 0 0 "[ . 1]" 1
1109 1 80 GLN HG2 1 81 SER H . . 4.830 4.679 4.503 4.807 . 0 0 "[ . 1]" 1
1110 1 81 SER H 1 81 SER QB . . 3.550 2.405 2.191 2.743 . 0 0 "[ . 1]" 1
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