NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
462484 |
2eel   |
11218 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eel
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 2061
_Distance_constraint_stats_list.Viol_count 459
_Distance_constraint_stats_list.Viol_total 47.231
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0051
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 PRO 0.001 0.001 17 0 "[ . 1 . 2]"
1 9 ALA 0.022 0.012 12 0 "[ . 1 . 2]"
1 10 ARG 0.025 0.021 16 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 0.017 0.004 5 0 "[ . 1 . 2]"
1 13 ARG 0.008 0.005 12 0 "[ . 1 . 2]"
1 14 VAL 0.055 0.007 18 0 "[ . 1 . 2]"
1 15 SER 0.005 0.003 8 0 "[ . 1 . 2]"
1 16 ASN 0.051 0.022 18 0 "[ . 1 . 2]"
1 17 HIS 0.006 0.003 14 0 "[ . 1 . 2]"
1 18 ASP 0.006 0.004 11 0 "[ . 1 . 2]"
1 19 ARG 0.008 0.003 20 0 "[ . 1 . 2]"
1 20 SER 0.019 0.007 18 0 "[ . 1 . 2]"
1 21 SER 0.074 0.022 18 0 "[ . 1 . 2]"
1 22 ARG 0.002 0.001 20 0 "[ . 1 . 2]"
1 23 ARG 0.057 0.009 18 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.089 0.007 11 0 "[ . 1 . 2]"
1 26 MET 0.216 0.055 17 0 "[ . 1 . 2]"
1 27 ALA 0.220 0.055 17 0 "[ . 1 . 2]"
1 28 SER 0.010 0.006 17 0 "[ . 1 . 2]"
1 29 SER 0.045 0.011 13 0 "[ . 1 . 2]"
1 30 LEU 0.018 0.008 13 0 "[ . 1 . 2]"
1 31 GLN 0.059 0.011 13 0 "[ . 1 . 2]"
1 32 GLU 0.077 0.016 10 0 "[ . 1 . 2]"
1 33 LEU 0.107 0.016 5 0 "[ . 1 . 2]"
1 34 ILE 0.050 0.009 17 0 "[ . 1 . 2]"
1 35 SER 0.002 0.001 2 0 "[ . 1 . 2]"
1 36 LYS 0.138 0.025 10 0 "[ . 1 . 2]"
1 37 THR 0.148 0.016 5 0 "[ . 1 . 2]"
1 38 LEU 0.077 0.040 18 0 "[ . 1 . 2]"
1 39 ASP 0.041 0.006 20 0 "[ . 1 . 2]"
1 40 ALA 0.021 0.007 20 0 "[ . 1 . 2]"
1 41 LEU 0.010 0.005 17 0 "[ . 1 . 2]"
1 42 VAL 0.003 0.002 4 0 "[ . 1 . 2]"
1 43 ILE 0.003 0.002 4 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 0.004 0.003 12 0 "[ . 1 . 2]"
1 46 GLY 0.053 0.040 18 0 "[ . 1 . 2]"
1 47 LEU 0.015 0.005 16 0 "[ . 1 . 2]"
1 48 VAL 0.025 0.004 12 0 "[ . 1 . 2]"
1 49 THR 0.015 0.003 18 0 "[ . 1 . 2]"
1 50 LEU 0.014 0.004 11 0 "[ . 1 . 2]"
1 51 VAL 0.083 0.010 17 0 "[ . 1 . 2]"
1 52 LEU 0.014 0.005 14 0 "[ . 1 . 2]"
1 53 GLU 0.062 0.010 18 0 "[ . 1 . 2]"
1 54 GLU 0.887 0.062 13 0 "[ . 1 . 2]"
1 55 ASP 0.142 0.038 14 0 "[ . 1 . 2]"
1 56 GLY 0.353 0.053 19 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.015 0.005 20 0 "[ . 1 . 2]"
1 59 VAL 0.018 0.004 8 0 "[ . 1 . 2]"
1 60 ASP 0.014 0.009 11 0 "[ . 1 . 2]"
1 61 THR 0.022 0.009 11 0 "[ . 1 . 2]"
1 62 GLU 0.018 0.014 6 0 "[ . 1 . 2]"
1 63 GLU 0.016 0.014 6 0 "[ . 1 . 2]"
1 64 PHE 0.003 0.001 7 0 "[ . 1 . 2]"
1 65 PHE 0.035 0.006 8 0 "[ . 1 . 2]"
1 66 GLN 0.010 0.004 2 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 6 0 "[ . 1 . 2]"
1 68 LEU 0.004 0.004 8 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.003 0.001 5 0 "[ . 1 . 2]"
1 73 HIS 0.003 0.003 11 0 "[ . 1 . 2]"
1 74 PHE 0.082 0.010 18 0 "[ . 1 . 2]"
1 75 MET 0.055 0.008 16 0 "[ . 1 . 2]"
1 76 ILE 0.020 0.003 17 0 "[ . 1 . 2]"
1 77 LEU 0.020 0.004 11 0 "[ . 1 . 2]"
1 78 GLU 0.012 0.005 11 0 "[ . 1 . 2]"
1 79 LYS 0.038 0.011 8 0 "[ . 1 . 2]"
1 80 GLY 0.008 0.008 16 0 "[ . 1 . 2]"
1 81 GLN 0.157 0.045 9 0 "[ . 1 . 2]"
1 82 LYS 0.009 0.007 9 0 "[ . 1 . 2]"
1 83 TRP 0.044 0.005 17 0 "[ . 1 . 2]"
1 84 MET 0.007 0.004 7 0 "[ . 1 . 2]"
1 85 PRO 0.008 0.002 8 0 "[ . 1 . 2]"
1 86 SER 0.017 0.010 16 0 "[ . 1 . 2]"
1 87 GLY 0.012 0.010 16 0 "[ . 1 . 2]"
1 88 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 8 PRO HA 1 9 ALA H . . 2.560 2.274 2.151 2.561 0.001 17 0 "[ . 1 . 2]" 1
2 1 8 PRO HA 1 9 ALA MB . . 4.110 3.932 3.751 4.078 . 0 0 "[ . 1 . 2]" 1
3 1 8 PRO QB 1 9 ALA H . . 3.350 2.888 2.204 3.348 . 0 0 "[ . 1 . 2]" 1
4 1 8 PRO HB2 1 9 ALA H . . 4.070 3.025 2.240 3.578 . 0 0 "[ . 1 . 2]" 1
5 1 8 PRO HB3 1 9 ALA H . . 4.070 3.691 3.278 4.030 . 0 0 "[ . 1 . 2]" 1
6 1 9 ALA H 1 9 ALA MB . . 2.750 2.290 2.074 2.762 0.012 12 0 "[ . 1 . 2]" 1
7 1 9 ALA H 1 26 MET ME . . 4.340 3.692 2.572 4.340 . 0 0 "[ . 1 . 2]" 1
8 1 9 ALA H 1 28 SER QB . . 4.350 4.170 3.534 4.356 0.006 17 0 "[ . 1 . 2]" 1
9 1 9 ALA HA 1 10 ARG H . . 2.790 2.249 2.171 2.410 . 0 0 "[ . 1 . 2]" 1
10 1 9 ALA HA 1 10 ARG QB . . 4.820 4.336 4.183 4.461 . 0 0 "[ . 1 . 2]" 1
11 1 9 ALA HA 1 10 ARG HG2 . . 5.490 4.601 3.545 5.468 . 0 0 "[ . 1 . 2]" 1
12 1 9 ALA HA 1 10 ARG QG . . 4.700 3.736 3.472 4.113 . 0 0 "[ . 1 . 2]" 1
13 1 9 ALA HA 1 10 ARG HG3 . . 5.490 4.397 3.651 5.314 . 0 0 "[ . 1 . 2]" 1
14 1 9 ALA HA 1 27 ALA H . . 4.610 4.382 4.080 4.611 0.001 19 0 "[ . 1 . 2]" 1
15 1 9 ALA HA 1 27 ALA HA . . 4.730 4.128 3.796 4.359 . 0 0 "[ . 1 . 2]" 1
16 1 9 ALA HA 1 27 ALA MB . . 5.500 4.835 4.584 5.040 . 0 0 "[ . 1 . 2]" 1
17 1 9 ALA HA 1 28 SER H . . 4.200 3.584 3.185 4.108 . 0 0 "[ . 1 . 2]" 1
18 1 9 ALA HA 1 28 SER HA . . 2.990 2.158 1.999 2.541 . 0 0 "[ . 1 . 2]" 1
19 1 9 ALA HA 1 28 SER QB . . 3.820 2.869 2.322 3.088 . 0 0 "[ . 1 . 2]" 1
20 1 9 ALA MB 1 10 ARG H . . 3.330 2.807 2.359 3.009 . 0 0 "[ . 1 . 2]" 1
21 1 9 ALA MB 1 10 ARG HA . . 4.680 4.125 4.015 4.230 . 0 0 "[ . 1 . 2]" 1
22 1 9 ALA MB 1 26 MET H . . 5.090 4.841 4.456 5.056 . 0 0 "[ . 1 . 2]" 1
23 1 9 ALA MB 1 26 MET HA . . 4.360 3.670 3.219 4.068 . 0 0 "[ . 1 . 2]" 1
24 1 9 ALA MB 1 26 MET QB . . 3.150 2.347 1.949 3.015 . 0 0 "[ . 1 . 2]" 1
25 1 9 ALA MB 1 26 MET ME . . 2.860 2.302 1.801 2.846 . 0 0 "[ . 1 . 2]" 1
26 1 9 ALA MB 1 26 MET HG2 . . 4.970 4.063 3.524 4.527 . 0 0 "[ . 1 . 2]" 1
27 1 9 ALA MB 1 26 MET QG . . 4.190 3.308 1.978 4.183 . 0 0 "[ . 1 . 2]" 1
28 1 9 ALA MB 1 26 MET HG3 . . 4.970 3.782 1.988 4.919 . 0 0 "[ . 1 . 2]" 1
29 1 9 ALA MB 1 27 ALA H . . 3.690 3.070 2.602 3.554 . 0 0 "[ . 1 . 2]" 1
30 1 9 ALA MB 1 27 ALA HA . . 4.020 2.523 2.083 3.487 . 0 0 "[ . 1 . 2]" 1
31 1 9 ALA MB 1 28 SER H . . 4.490 2.994 2.338 3.714 . 0 0 "[ . 1 . 2]" 1
32 1 9 ALA MB 1 28 SER HA . . 4.140 3.387 3.038 3.987 . 0 0 "[ . 1 . 2]" 1
33 1 9 ALA MB 1 28 SER HB2 . . 4.570 3.688 2.851 4.504 . 0 0 "[ . 1 . 2]" 1
34 1 9 ALA MB 1 28 SER QB . . 3.840 3.148 2.794 3.550 . 0 0 "[ . 1 . 2]" 1
35 1 9 ALA MB 1 28 SER HB3 . . 4.570 3.839 2.878 4.513 . 0 0 "[ . 1 . 2]" 1
36 1 10 ARG H 1 10 ARG HB2 . . 4.030 2.536 2.300 3.678 . 0 0 "[ . 1 . 2]" 1
37 1 10 ARG H 1 10 ARG QB . . 3.260 2.459 2.274 2.856 . 0 0 "[ . 1 . 2]" 1
38 1 10 ARG H 1 10 ARG HB3 . . 4.030 3.634 2.976 3.739 . 0 0 "[ . 1 . 2]" 1
39 1 10 ARG H 1 10 ARG HD2 . . 5.480 4.713 3.888 5.482 0.002 16 0 "[ . 1 . 2]" 1
40 1 10 ARG H 1 10 ARG QD . . 4.670 4.182 3.679 4.654 . 0 0 "[ . 1 . 2]" 1
41 1 10 ARG H 1 10 ARG HD3 . . 5.480 4.833 3.835 5.470 . 0 0 "[ . 1 . 2]" 1
42 1 10 ARG H 1 10 ARG HG2 . . 4.380 3.491 1.953 4.322 . 0 0 "[ . 1 . 2]" 1
43 1 10 ARG H 1 10 ARG QG . . 3.630 2.799 1.929 3.200 . 0 0 "[ . 1 . 2]" 1
44 1 10 ARG H 1 10 ARG HG3 . . 4.380 3.272 2.716 4.127 . 0 0 "[ . 1 . 2]" 1
45 1 10 ARG H 1 11 PRO HD2 . . 5.050 4.834 4.823 4.841 . 0 0 "[ . 1 . 2]" 1
46 1 10 ARG H 1 11 PRO HD3 . . 5.500 4.959 4.876 5.008 . 0 0 "[ . 1 . 2]" 1
47 1 10 ARG H 1 12 PHE QE . . 4.270 3.132 2.607 3.628 . 0 0 "[ . 1 . 2]" 1
48 1 10 ARG H 1 26 MET HA . . 4.650 4.358 3.967 4.595 . 0 0 "[ . 1 . 2]" 1
49 1 10 ARG H 1 26 MET ME . . 4.150 3.776 3.326 4.144 . 0 0 "[ . 1 . 2]" 1
50 1 10 ARG H 1 27 ALA H . . 3.510 3.130 2.690 3.470 . 0 0 "[ . 1 . 2]" 1
51 1 10 ARG H 1 27 ALA HA . . 4.810 4.402 3.772 4.697 . 0 0 "[ . 1 . 2]" 1
52 1 10 ARG H 1 28 SER H . . 4.910 4.505 3.826 4.910 0.000 3 0 "[ . 1 . 2]" 1
53 1 10 ARG H 1 28 SER HA . . 3.830 3.018 2.629 3.365 . 0 0 "[ . 1 . 2]" 1
54 1 10 ARG H 1 28 SER QB . . 4.780 4.561 4.097 4.781 0.001 20 0 "[ . 1 . 2]" 1
55 1 10 ARG HA 1 10 ARG HG2 . . 4.170 2.671 2.337 3.708 . 0 0 "[ . 1 . 2]" 1
56 1 10 ARG HA 1 10 ARG QG . . 3.440 2.540 2.259 3.341 . 0 0 "[ . 1 . 2]" 1
57 1 10 ARG HA 1 10 ARG HG3 . . 4.170 3.308 2.698 3.823 . 0 0 "[ . 1 . 2]" 1
58 1 10 ARG HA 1 11 PRO HD2 . . 3.280 2.287 2.239 2.344 . 0 0 "[ . 1 . 2]" 1
59 1 10 ARG HA 1 11 PRO HD3 . . 3.120 2.266 2.256 2.279 . 0 0 "[ . 1 . 2]" 1
60 1 10 ARG HA 1 11 PRO QG . . 4.160 3.933 3.905 3.967 . 0 0 "[ . 1 . 2]" 1
61 1 10 ARG QB 1 10 ARG QD . . 3.170 2.131 2.063 2.273 . 0 0 "[ . 1 . 2]" 1
62 1 10 ARG QB 1 10 ARG HE . . 4.240 3.791 2.656 4.207 . 0 0 "[ . 1 . 2]" 1
63 1 10 ARG QB 1 11 PRO HD2 . . 3.560 2.281 2.103 2.474 . 0 0 "[ . 1 . 2]" 1
64 1 10 ARG QB 1 11 PRO HD3 . . 3.890 3.585 3.396 3.727 . 0 0 "[ . 1 . 2]" 1
65 1 10 ARG QB 1 11 PRO QG . . 4.100 3.744 3.633 3.848 . 0 0 "[ . 1 . 2]" 1
66 1 10 ARG QB 1 12 PHE QE . . 4.200 2.628 1.992 4.200 . 3 0 "[ . 1 . 2]" 1
67 1 10 ARG QB 1 12 PHE HZ . . 4.430 2.289 1.985 4.247 . 0 0 "[ . 1 . 2]" 1
68 1 10 ARG QB 1 70 ASP HA . . 4.250 3.334 2.967 3.615 . 0 0 "[ . 1 . 2]" 1
69 1 10 ARG HB2 1 10 ARG HD2 . . 4.070 3.019 2.211 4.091 0.021 16 0 "[ . 1 . 2]" 1
70 1 10 ARG HB2 1 10 ARG HD3 . . 4.070 3.246 2.424 3.954 . 0 0 "[ . 1 . 2]" 1
71 1 10 ARG HB2 1 11 PRO HD2 . . 4.310 3.736 2.127 3.964 . 0 0 "[ . 1 . 2]" 1
72 1 10 ARG HB2 1 12 PHE HZ . . 5.100 2.356 2.006 4.628 . 0 0 "[ . 1 . 2]" 1
73 1 10 ARG HB3 1 10 ARG HD2 . . 4.070 2.897 2.130 3.699 . 0 0 "[ . 1 . 2]" 1
74 1 10 ARG HB3 1 10 ARG HD3 . . 4.070 2.648 2.112 3.493 . 0 0 "[ . 1 . 2]" 1
75 1 10 ARG HB3 1 11 PRO HD2 . . 4.310 2.359 2.127 3.311 . 0 0 "[ . 1 . 2]" 1
76 1 10 ARG HB3 1 12 PHE HZ . . 5.100 3.292 2.645 4.943 . 0 0 "[ . 1 . 2]" 1
77 1 10 ARG QD 1 10 ARG QH1 . . 3.630 1.961 1.869 2.076 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG QD 1 70 ASP HA . . 4.550 3.885 3.166 4.549 . 0 0 "[ . 1 . 2]" 1
79 1 10 ARG HE 1 10 ARG HG2 . . 4.170 2.837 2.249 3.756 . 0 0 "[ . 1 . 2]" 1
80 1 10 ARG HE 1 10 ARG QG . . 3.530 2.464 2.225 3.094 . 0 0 "[ . 1 . 2]" 1
81 1 10 ARG HE 1 10 ARG HG3 . . 4.170 2.903 2.260 4.038 . 0 0 "[ . 1 . 2]" 1
82 1 10 ARG QG 1 11 PRO HD2 . . 4.790 3.446 2.804 4.034 . 0 0 "[ . 1 . 2]" 1
83 1 10 ARG QG 1 28 SER HA . . 4.800 3.991 3.265 4.478 . 0 0 "[ . 1 . 2]" 1
84 1 10 ARG QG 1 70 ASP HA . . 5.340 4.849 4.165 5.339 . 0 0 "[ . 1 . 2]" 1
85 1 11 PRO HA 1 12 PHE H . . 3.080 2.200 2.156 2.232 . 0 0 "[ . 1 . 2]" 1
86 1 11 PRO HA 1 12 PHE QD . . 4.920 4.213 3.662 4.527 . 0 0 "[ . 1 . 2]" 1
87 1 11 PRO HA 1 12 PHE QE . . 5.480 5.177 4.780 5.468 . 0 0 "[ . 1 . 2]" 1
88 1 11 PRO HA 1 26 MET HA . . 3.440 2.831 2.259 3.276 . 0 0 "[ . 1 . 2]" 1
89 1 11 PRO HA 1 27 ALA H . . 4.730 4.450 4.079 4.729 . 0 0 "[ . 1 . 2]" 1
90 1 11 PRO QB 1 71 ASN HA . . 4.840 3.238 2.752 4.134 . 0 0 "[ . 1 . 2]" 1
91 1 11 PRO HB2 1 12 PHE H . . 4.290 3.249 3.105 3.503 . 0 0 "[ . 1 . 2]" 1
92 1 11 PRO HB3 1 12 PHE H . . 4.290 3.817 3.727 3.980 . 0 0 "[ . 1 . 2]" 1
93 1 11 PRO HD2 1 26 MET ME . . 4.780 4.068 3.357 4.779 . 0 0 "[ . 1 . 2]" 1
94 1 11 PRO HD2 1 70 ASP HA . . 4.420 3.670 3.222 3.848 . 0 0 "[ . 1 . 2]" 1
95 1 11 PRO HD2 1 70 ASP HB2 . . 4.860 4.187 3.103 4.826 . 0 0 "[ . 1 . 2]" 1
96 1 11 PRO HD2 1 70 ASP QB . . 4.240 2.970 2.166 3.624 . 0 0 "[ . 1 . 2]" 1
97 1 11 PRO HD2 1 70 ASP HB3 . . 4.860 3.091 2.204 3.842 . 0 0 "[ . 1 . 2]" 1
98 1 11 PRO HD2 1 71 ASN H . . 4.850 3.876 3.468 4.539 . 0 0 "[ . 1 . 2]" 1
99 1 11 PRO HD3 1 26 MET ME . . 3.650 2.755 2.045 3.584 . 0 0 "[ . 1 . 2]" 1
100 1 11 PRO HD3 1 70 ASP HA . . 5.500 5.333 4.878 5.499 . 0 0 "[ . 1 . 2]" 1
101 1 11 PRO HD3 1 70 ASP QB . . 5.150 4.198 3.703 4.672 . 0 0 "[ . 1 . 2]" 1
102 1 11 PRO QG 1 70 ASP HA . . 4.180 3.320 2.871 3.532 . 0 0 "[ . 1 . 2]" 1
103 1 11 PRO QG 1 70 ASP HB2 . . 4.220 3.083 1.996 3.826 . 0 0 "[ . 1 . 2]" 1
104 1 11 PRO QG 1 70 ASP QB . . 3.660 2.163 1.939 2.765 . 0 0 "[ . 1 . 2]" 1
105 1 11 PRO QG 1 70 ASP HB3 . . 4.220 2.523 1.957 3.632 . 0 0 "[ . 1 . 2]" 1
106 1 11 PRO QG 1 71 ASN H . . 3.920 2.318 1.894 3.051 . 0 0 "[ . 1 . 2]" 1
107 1 11 PRO QG 1 71 ASN HA . . 5.500 3.757 3.327 4.483 . 0 0 "[ . 1 . 2]" 1
108 1 11 PRO QG 1 71 ASN HD21 . . 4.980 3.090 2.275 4.358 . 0 0 "[ . 1 . 2]" 1
109 1 11 PRO QG 1 71 ASN QD . . 4.370 2.695 2.102 3.496 . 0 0 "[ . 1 . 2]" 1
110 1 11 PRO QG 1 71 ASN HD22 . . 4.980 3.146 2.445 4.643 . 0 0 "[ . 1 . 2]" 1
111 1 12 PHE H 1 12 PHE HB2 . . 3.920 2.893 2.723 2.996 . 0 0 "[ . 1 . 2]" 1
112 1 12 PHE H 1 12 PHE QD . . 4.250 3.650 3.330 3.839 . 0 0 "[ . 1 . 2]" 1
113 1 12 PHE H 1 12 PHE QE . . 5.410 5.288 5.156 5.414 0.004 5 0 "[ . 1 . 2]" 1
114 1 12 PHE H 1 25 VAL H . . 3.940 3.416 2.817 3.941 0.001 18 0 "[ . 1 . 2]" 1
115 1 12 PHE H 1 26 MET HA . . 4.130 3.483 2.986 4.018 . 0 0 "[ . 1 . 2]" 1
116 1 12 PHE HA 1 12 PHE QD . . 3.490 2.447 2.186 2.815 . 0 0 "[ . 1 . 2]" 1
117 1 12 PHE HA 1 13 ARG H . . 3.320 2.251 2.192 2.397 . 0 0 "[ . 1 . 2]" 1
118 1 12 PHE HA 1 13 ARG QG . . 4.940 4.284 3.915 4.940 0.000 2 0 "[ . 1 . 2]" 1
119 1 12 PHE HA 1 33 LEU QD . . 5.440 4.959 4.278 5.443 0.003 5 0 "[ . 1 . 2]" 1
120 1 12 PHE HA 1 71 ASN H . . 3.880 3.325 2.542 3.854 . 0 0 "[ . 1 . 2]" 1
121 1 12 PHE HA 1 71 ASN HA . . 3.360 2.603 2.199 2.988 . 0 0 "[ . 1 . 2]" 1
122 1 12 PHE HA 1 72 THR H . . 4.150 2.475 2.064 3.009 . 0 0 "[ . 1 . 2]" 1
123 1 12 PHE HA 1 72 THR MG . . 5.500 5.064 4.869 5.371 . 0 0 "[ . 1 . 2]" 1
124 1 12 PHE HB2 1 13 ARG H . . 4.080 3.911 3.590 4.076 . 0 0 "[ . 1 . 2]" 1
125 1 12 PHE HB2 1 14 VAL MG2 . . 4.740 3.882 3.708 4.005 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE HB2 1 25 VAL HB . . 4.940 3.604 3.209 3.979 . 0 0 "[ . 1 . 2]" 1
127 1 12 PHE HB2 1 25 VAL QG . . 4.690 4.138 3.859 4.418 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE HB2 1 33 LEU MD1 . . 4.800 3.435 2.091 4.800 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE HB2 1 33 LEU QD . . 3.440 2.726 2.065 3.215 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE HB2 1 33 LEU MD2 . . 4.800 3.246 2.873 3.495 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE HB2 1 33 LEU HG . . 5.500 4.519 3.417 5.434 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE HB2 1 72 THR H . . 5.380 5.043 4.674 5.371 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE HB2 1 74 PHE QD . . 4.740 3.855 3.574 4.215 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE HB2 1 74 PHE QE . . 4.570 3.360 3.046 3.745 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE HB3 1 13 ARG H . . 3.720 2.862 2.449 3.059 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE HB3 1 25 VAL QG . . 5.440 5.132 4.758 5.397 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE HB3 1 33 LEU QD . . 4.400 3.294 2.568 3.946 . 0 0 "[ . 1 . 2]" 1
138 1 12 PHE HB3 1 72 THR H . . 5.040 3.918 3.375 4.388 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE HB3 1 74 PHE QD . . 4.450 2.726 2.268 3.014 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE HB3 1 74 PHE QE . . 4.360 2.115 1.996 2.360 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE QD 1 13 ARG H . . 4.480 3.802 3.362 3.937 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE QD 1 27 ALA H . . 3.830 2.658 2.259 3.179 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE QD 1 33 LEU MD1 . . 4.650 3.637 2.451 4.651 0.001 2 0 "[ . 1 . 2]" 1
144 1 12 PHE QD 1 33 LEU QD . . 3.360 2.876 2.364 3.298 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE QD 1 33 LEU MD2 . . 4.650 3.317 2.944 3.820 . 0 0 "[ . 1 . 2]" 1
146 1 12 PHE QD 1 70 ASP HA . . 4.710 4.076 2.862 4.646 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE QD 1 71 ASN H . . 4.460 3.740 2.947 4.052 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE QD 1 71 ASN HA . . 4.910 4.141 3.770 4.538 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE QD 1 72 THR HB . . 3.560 2.157 1.999 2.587 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE QD 1 72 THR MG . . 4.150 3.831 3.655 4.102 . 0 0 "[ . 1 . 2]" 1
151 1 12 PHE QD 1 74 PHE QE . . 4.110 2.771 2.068 3.204 . 0 0 "[ . 1 . 2]" 1
152 1 12 PHE QD 1 74 PHE HZ . . 5.170 3.788 3.296 4.185 . 0 0 "[ . 1 . 2]" 1
153 1 12 PHE QE 1 27 ALA H . . 3.990 2.776 2.311 3.380 . 0 0 "[ . 1 . 2]" 1
154 1 12 PHE QE 1 27 ALA MB . . 3.670 3.189 2.712 3.666 . 0 0 "[ . 1 . 2]" 1
155 1 12 PHE QE 1 65 PHE HZ . . 4.450 2.381 1.997 2.960 . 0 0 "[ . 1 . 2]" 1
156 1 12 PHE QE 1 68 LEU HB3 . . 5.500 3.925 3.400 4.495 . 0 0 "[ . 1 . 2]" 1
157 1 12 PHE QE 1 70 ASP HA . . 4.630 3.412 2.576 4.296 . 0 0 "[ . 1 . 2]" 1
158 1 12 PHE QE 1 72 THR HB . . 4.220 3.408 2.492 4.081 . 0 0 "[ . 1 . 2]" 1
159 1 12 PHE QE 1 72 THR MG . . 4.800 4.408 3.863 4.801 0.001 7 0 "[ . 1 . 2]" 1
160 1 12 PHE HZ 1 68 LEU HB2 . . 5.170 4.651 4.118 5.089 . 0 0 "[ . 1 . 2]" 1
161 1 12 PHE HZ 1 70 ASP HA . . 5.500 4.816 4.342 5.478 . 0 0 "[ . 1 . 2]" 1
162 1 13 ARG H 1 13 ARG QG . . 3.970 3.270 2.974 3.777 . 0 0 "[ . 1 . 2]" 1
163 1 13 ARG H 1 71 ASN HA . . 4.620 3.532 3.114 3.988 . 0 0 "[ . 1 . 2]" 1
164 1 13 ARG H 1 73 HIS HA . . 4.190 3.169 2.800 3.667 . 0 0 "[ . 1 . 2]" 1
165 1 13 ARG H 1 74 PHE H . . 4.890 4.369 4.161 4.873 . 0 0 "[ . 1 . 2]" 1
166 1 13 ARG H 1 74 PHE QD . . 4.770 3.976 3.128 4.480 . 0 0 "[ . 1 . 2]" 1
167 1 13 ARG H 1 74 PHE QE . . 4.900 4.353 3.486 4.664 . 0 0 "[ . 1 . 2]" 1
168 1 13 ARG HA 1 13 ARG HD2 . . 4.630 3.902 2.530 4.632 0.002 13 0 "[ . 1 . 2]" 1
169 1 13 ARG HA 1 13 ARG HD3 . . 4.630 3.745 2.160 4.588 . 0 0 "[ . 1 . 2]" 1
170 1 13 ARG HA 1 13 ARG QG . . 3.470 2.323 2.154 2.503 . 0 0 "[ . 1 . 2]" 1
171 1 13 ARG HA 1 14 VAL H . . 3.010 2.215 2.145 2.326 . 0 0 "[ . 1 . 2]" 1
172 1 13 ARG HA 1 14 VAL MG2 . . 4.390 3.359 3.090 3.541 . 0 0 "[ . 1 . 2]" 1
173 1 13 ARG HA 1 24 GLY QA . . 4.090 2.368 2.098 2.751 . 0 0 "[ . 1 . 2]" 1
174 1 13 ARG HA 1 25 VAL H . . 4.150 3.570 3.264 3.965 . 0 0 "[ . 1 . 2]" 1
175 1 13 ARG QB 1 14 VAL H . . 4.140 2.991 2.604 3.296 . 0 0 "[ . 1 . 2]" 1
176 1 13 ARG QB 1 14 VAL MG2 . . 4.800 4.329 4.095 4.546 . 0 0 "[ . 1 . 2]" 1
177 1 13 ARG QB 1 73 HIS HA . . 3.700 2.317 1.844 2.768 . 0 0 "[ . 1 . 2]" 1
178 1 13 ARG QB 1 74 PHE H . . 4.710 3.656 3.155 4.011 . 0 0 "[ . 1 . 2]" 1
179 1 13 ARG HB2 1 73 HIS HA . . 4.540 2.407 1.999 2.923 . 0 0 "[ . 1 . 2]" 1
180 1 13 ARG HB2 1 73 HIS HD2 . . 5.090 3.028 2.482 3.710 . 0 0 "[ . 1 . 2]" 1
181 1 13 ARG HB2 1 74 PHE H . . 5.450 4.133 3.739 4.535 . 0 0 "[ . 1 . 2]" 1
182 1 13 ARG HB3 1 73 HIS HA . . 4.540 3.075 2.113 3.637 . 0 0 "[ . 1 . 2]" 1
183 1 13 ARG HB3 1 73 HIS HD2 . . 5.090 2.220 1.998 2.687 . 0 0 "[ . 1 . 2]" 1
184 1 13 ARG HB3 1 74 PHE H . . 5.450 4.089 3.383 4.493 . 0 0 "[ . 1 . 2]" 1
185 1 13 ARG QG 1 14 VAL H . . 4.100 3.853 3.463 4.105 0.005 12 0 "[ . 1 . 2]" 1
186 1 13 ARG QG 1 14 VAL MG2 . . 5.440 5.022 4.751 5.206 . 0 0 "[ . 1 . 2]" 1
187 1 13 ARG QG 1 71 ASN HA . . 4.750 3.735 2.626 4.543 . 0 0 "[ . 1 . 2]" 1
188 1 13 ARG QG 1 73 HIS HD2 . . 4.900 3.933 3.381 4.723 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL H 1 14 VAL HB . . 3.680 2.816 2.704 2.957 . 0 0 "[ . 1 . 2]" 1
190 1 14 VAL H 1 14 VAL MG1 . . 4.070 3.922 3.865 3.979 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL H 1 14 VAL MG2 . . 3.510 2.637 2.378 2.923 . 0 0 "[ . 1 . 2]" 1
192 1 14 VAL H 1 23 ARG H . . 3.190 2.740 2.540 3.197 0.007 18 0 "[ . 1 . 2]" 1
193 1 14 VAL H 1 25 VAL QG . . 4.720 4.416 4.215 4.663 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL HA 1 14 VAL MG1 . . 3.240 2.306 2.194 2.361 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL HA 1 14 VAL MG2 . . 3.600 2.464 2.386 2.547 . 0 0 "[ . 1 . 2]" 1
196 1 14 VAL HA 1 15 SER H . . 3.150 2.218 2.144 2.276 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL HA 1 41 LEU QD . . 5.440 4.906 4.697 5.112 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL HA 1 73 HIS HD2 . . 4.670 4.383 3.131 4.669 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL HA 1 74 PHE H . . 4.080 2.574 2.294 2.884 . 0 0 "[ . 1 . 2]" 1
200 1 14 VAL HA 1 74 PHE HB2 . . 4.270 2.720 2.516 2.905 . 0 0 "[ . 1 . 2]" 1
201 1 14 VAL HA 1 74 PHE HB3 . . 4.870 4.188 3.961 4.394 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL HA 1 74 PHE QD . . 5.070 3.992 3.603 4.205 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL HB 1 15 SER H . . 4.130 3.846 3.704 4.084 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL HB 1 23 ARG H . . 4.180 3.196 3.035 3.320 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL HB 1 23 ARG QB . . 4.560 2.437 2.230 2.813 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL HB 1 23 ARG QD . . 4.590 4.043 3.833 4.470 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL HB 1 37 THR HA . . 5.500 5.095 4.724 5.309 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL HB 1 37 THR MG . . 3.490 3.323 3.049 3.488 . 0 0 "[ . 1 . 2]" 1
209 1 14 VAL HB 1 41 LEU QD . . 3.960 3.349 2.931 3.696 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL MG1 1 15 SER H . . 3.630 2.248 1.920 2.706 . 0 0 "[ . 1 . 2]" 1
211 1 14 VAL MG1 1 23 ARG H . . 4.390 4.312 4.127 4.396 0.006 17 0 "[ . 1 . 2]" 1
212 1 14 VAL MG1 1 23 ARG QD . . 5.340 4.855 4.559 5.259 . 0 0 "[ . 1 . 2]" 1
213 1 14 VAL MG1 1 33 LEU QD . . 4.630 3.851 3.628 4.124 . 0 0 "[ . 1 . 2]" 1
214 1 14 VAL MG1 1 37 THR H . . 5.500 5.478 5.402 5.506 0.006 10 0 "[ . 1 . 2]" 1
215 1 14 VAL MG1 1 37 THR HA . . 4.470 4.100 3.959 4.386 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL MG1 1 37 THR HB . . 4.410 4.123 4.045 4.213 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL MG1 1 37 THR HG1 . . 4.490 4.221 3.988 4.489 . 0 0 "[ . 1 . 2]" 1
218 1 14 VAL MG1 1 50 LEU QD . . 3.350 2.868 2.566 3.185 . 0 0 "[ . 1 . 2]" 1
219 1 14 VAL MG1 1 74 PHE H . . 4.610 4.137 3.860 4.414 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL MG1 1 74 PHE HB2 . . 3.450 2.883 2.587 3.054 . 0 0 "[ . 1 . 2]" 1
221 1 14 VAL MG1 1 74 PHE HB3 . . 3.850 3.608 3.409 3.780 . 0 0 "[ . 1 . 2]" 1
222 1 14 VAL MG1 1 74 PHE QD . . 4.710 4.182 3.850 4.491 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL MG1 1 75 MET H . . 4.930 4.491 4.314 4.713 . 0 0 "[ . 1 . 2]" 1
224 1 14 VAL MG1 1 75 MET HA . . 4.290 3.713 3.445 4.117 . 0 0 "[ . 1 . 2]" 1
225 1 14 VAL MG1 1 76 ILE H . . 3.820 3.517 3.341 3.818 . 0 0 "[ . 1 . 2]" 1
226 1 14 VAL MG1 1 76 ILE HB . . 3.840 2.952 2.733 3.134 . 0 0 "[ . 1 . 2]" 1
227 1 14 VAL MG2 1 15 SER H . . 4.260 4.056 3.977 4.191 . 0 0 "[ . 1 . 2]" 1
228 1 14 VAL MG2 1 23 ARG H . . 4.290 4.228 4.098 4.292 0.002 11 0 "[ . 1 . 2]" 1
229 1 14 VAL MG2 1 23 ARG HB2 . . 4.900 4.712 4.479 4.901 0.001 14 0 "[ . 1 . 2]" 1
230 1 14 VAL MG2 1 23 ARG QB . . 4.250 3.279 3.061 3.562 . 0 0 "[ . 1 . 2]" 1
231 1 14 VAL MG2 1 23 ARG HB3 . . 4.900 3.346 3.116 3.665 . 0 0 "[ . 1 . 2]" 1
232 1 14 VAL MG2 1 33 LEU MD1 . . 3.820 2.979 2.518 3.348 . 0 0 "[ . 1 . 2]" 1
233 1 14 VAL MG2 1 33 LEU QD . . 3.090 2.632 2.434 2.774 . 0 0 "[ . 1 . 2]" 1
234 1 14 VAL MG2 1 33 LEU MD2 . . 3.820 3.091 2.657 3.554 . 0 0 "[ . 1 . 2]" 1
235 1 14 VAL MG2 1 37 THR HA . . 4.030 3.739 3.342 4.007 . 0 0 "[ . 1 . 2]" 1
236 1 14 VAL MG2 1 37 THR HB . . 4.760 4.490 4.123 4.739 . 0 0 "[ . 1 . 2]" 1
237 1 14 VAL MG2 1 37 THR HG1 . . 4.200 3.672 3.299 4.046 . 0 0 "[ . 1 . 2]" 1
238 1 14 VAL MG2 1 40 ALA MB . . 4.520 4.323 3.989 4.520 . 0 0 "[ . 1 . 2]" 1
239 1 14 VAL MG2 1 74 PHE H . . 4.530 3.924 3.645 4.399 . 0 0 "[ . 1 . 2]" 1
240 1 14 VAL MG2 1 74 PHE HB2 . . 3.670 2.772 2.615 2.941 . 0 0 "[ . 1 . 2]" 1
241 1 14 VAL MG2 1 74 PHE HB3 . . 4.130 4.089 4.012 4.136 0.006 14 0 "[ . 1 . 2]" 1
242 1 14 VAL MG2 1 74 PHE QD . . 3.890 2.793 2.506 3.093 . 0 0 "[ . 1 . 2]" 1
243 1 15 SER H 1 15 SER HB2 . . 3.920 2.686 2.507 2.864 . 0 0 "[ . 1 . 2]" 1
244 1 15 SER H 1 15 SER HB3 . . 4.140 3.775 3.630 3.908 . 0 0 "[ . 1 . 2]" 1
245 1 15 SER H 1 16 ASN H . . 4.800 4.375 4.276 4.486 . 0 0 "[ . 1 . 2]" 1
246 1 15 SER H 1 41 LEU QD . . 4.990 4.329 4.025 4.588 . 0 0 "[ . 1 . 2]" 1
247 1 15 SER H 1 73 HIS HD2 . . 5.250 4.905 3.860 5.250 . 0 0 "[ . 1 . 2]" 1
248 1 15 SER H 1 74 PHE H . . 4.710 3.686 3.265 4.004 . 0 0 "[ . 1 . 2]" 1
249 1 15 SER H 1 75 MET HA . . 3.620 2.996 2.777 3.239 . 0 0 "[ . 1 . 2]" 1
250 1 15 SER H 1 76 ILE H . . 4.270 3.840 3.564 4.087 . 0 0 "[ . 1 . 2]" 1
251 1 15 SER HA 1 15 SER HG . . 3.550 2.665 2.073 3.541 . 0 0 "[ . 1 . 2]" 1
252 1 15 SER HA 1 16 ASN H . . 2.970 2.238 2.178 2.389 . 0 0 "[ . 1 . 2]" 1
253 1 15 SER HA 1 22 ARG H . . 5.190 4.837 4.681 5.054 . 0 0 "[ . 1 . 2]" 1
254 1 15 SER HA 1 22 ARG HA . . 3.520 3.149 2.913 3.324 . 0 0 "[ . 1 . 2]" 1
255 1 15 SER HA 1 22 ARG QB . . 5.310 5.095 4.793 5.304 . 0 0 "[ . 1 . 2]" 1
256 1 15 SER HA 1 22 ARG HG2 . . 5.500 4.928 4.592 5.259 . 0 0 "[ . 1 . 2]" 1
257 1 15 SER HA 1 22 ARG HG3 . . 4.690 4.614 4.396 4.691 0.001 20 0 "[ . 1 . 2]" 1
258 1 15 SER HA 1 23 ARG H . . 3.940 3.794 3.569 3.935 . 0 0 "[ . 1 . 2]" 1
259 1 15 SER HA 1 23 ARG QB . . 5.340 4.783 4.422 5.031 . 0 0 "[ . 1 . 2]" 1
260 1 15 SER HA 1 41 LEU MD1 . . 4.630 4.360 4.138 4.616 . 0 0 "[ . 1 . 2]" 1
261 1 15 SER HA 1 41 LEU MD2 . . 4.630 4.402 4.177 4.622 . 0 0 "[ . 1 . 2]" 1
262 1 15 SER HB2 1 16 ASN H . . 4.330 4.069 3.788 4.294 . 0 0 "[ . 1 . 2]" 1
263 1 15 SER HB2 1 19 ARG HA . . 4.070 3.605 3.163 3.950 . 0 0 "[ . 1 . 2]" 1
264 1 15 SER HB2 1 75 MET HA . . 4.630 3.656 3.226 3.870 . 0 0 "[ . 1 . 2]" 1
265 1 15 SER HB2 1 75 MET ME . . 3.990 3.699 3.112 3.993 0.003 8 0 "[ . 1 . 2]" 1
266 1 15 SER HB3 1 16 ASN H . . 3.520 2.932 2.477 3.183 . 0 0 "[ . 1 . 2]" 1
267 1 15 SER HB3 1 19 ARG H . . 4.520 4.001 3.836 4.305 . 0 0 "[ . 1 . 2]" 1
268 1 15 SER HB3 1 19 ARG HA . . 3.940 2.206 2.024 2.477 . 0 0 "[ . 1 . 2]" 1
269 1 15 SER HB3 1 75 MET ME . . 4.310 3.765 3.180 4.300 . 0 0 "[ . 1 . 2]" 1
270 1 15 SER HG 1 16 ASN H . . 5.230 4.276 3.620 5.064 . 0 0 "[ . 1 . 2]" 1
271 1 15 SER HG 1 22 ARG HG2 . . 5.020 3.386 2.804 3.976 . 0 0 "[ . 1 . 2]" 1
272 1 16 ASN H 1 16 ASN HB2 . . 3.970 3.525 2.194 3.636 . 0 0 "[ . 1 . 2]" 1
273 1 16 ASN H 1 16 ASN QB . . 3.410 2.426 2.135 2.591 . 0 0 "[ . 1 . 2]" 1
274 1 16 ASN H 1 16 ASN HB3 . . 3.970 2.507 2.315 2.931 . 0 0 "[ . 1 . 2]" 1
275 1 16 ASN H 1 17 HIS H . . 5.000 4.566 4.534 4.605 . 0 0 "[ . 1 . 2]" 1
276 1 16 ASN H 1 19 ARG HA . . 4.320 3.642 3.224 4.275 . 0 0 "[ . 1 . 2]" 1
277 1 16 ASN H 1 21 SER HB3 . . 3.990 3.911 3.667 4.012 0.022 18 0 "[ . 1 . 2]" 1
278 1 16 ASN H 1 22 ARG HA . . 5.500 4.838 4.291 5.149 . 0 0 "[ . 1 . 2]" 1
279 1 16 ASN H 1 41 LEU MD1 . . 4.420 4.228 3.840 4.425 0.005 17 0 "[ . 1 . 2]" 1
280 1 16 ASN H 1 41 LEU MD2 . . 4.420 4.015 3.618 4.373 . 0 0 "[ . 1 . 2]" 1
281 1 16 ASN HA 1 17 HIS H . . 3.420 2.555 2.490 2.579 . 0 0 "[ . 1 . 2]" 1
282 1 16 ASN HA 1 18 ASP H . . 5.000 4.447 4.101 4.686 . 0 0 "[ . 1 . 2]" 1
283 1 16 ASN HA 1 41 LEU MD1 . . 4.580 3.430 2.961 3.765 . 0 0 "[ . 1 . 2]" 1
284 1 16 ASN HA 1 41 LEU QD . . 3.790 3.252 2.873 3.566 . 0 0 "[ . 1 . 2]" 1
285 1 16 ASN HA 1 41 LEU MD2 . . 4.580 4.063 3.551 4.492 . 0 0 "[ . 1 . 2]" 1
286 1 16 ASN HA 1 76 ILE H . . 3.880 3.450 3.028 3.768 . 0 0 "[ . 1 . 2]" 1
287 1 16 ASN HA 1 76 ILE MG . . 3.260 2.210 1.987 2.448 . 0 0 "[ . 1 . 2]" 1
288 1 16 ASN QB 1 17 HIS H . . 3.190 2.237 2.116 2.764 . 0 0 "[ . 1 . 2]" 1
289 1 16 ASN QB 1 17 HIS HD2 . . 4.430 3.114 2.759 3.797 . 0 0 "[ . 1 . 2]" 1
290 1 16 ASN QB 1 18 ASP H . . 4.420 3.121 2.812 3.412 . 0 0 "[ . 1 . 2]" 1
291 1 16 ASN QB 1 21 SER H . . 4.880 3.530 2.233 4.150 . 0 0 "[ . 1 . 2]" 1
292 1 16 ASN QB 1 21 SER HB2 . . 4.510 2.429 1.978 2.886 . 0 0 "[ . 1 . 2]" 1
293 1 16 ASN QB 1 21 SER HB3 . . 4.460 3.830 3.432 4.233 . 0 0 "[ . 1 . 2]" 1
294 1 16 ASN QB 1 41 LEU QD . . 3.470 2.868 2.586 3.264 . 0 0 "[ . 1 . 2]" 1
295 1 16 ASN HB2 1 17 HIS H . . 3.780 2.304 2.130 3.780 0.000 18 0 "[ . 1 . 2]" 1
296 1 16 ASN HB2 1 41 LEU MD1 . . 5.500 4.454 3.847 5.032 . 0 0 "[ . 1 . 2]" 1
297 1 16 ASN HB2 1 41 LEU MD2 . . 5.500 4.195 3.388 4.778 . 0 0 "[ . 1 . 2]" 1
298 1 16 ASN HB2 1 76 ILE MG . . 4.390 3.773 3.439 4.159 . 0 0 "[ . 1 . 2]" 1
299 1 16 ASN HB3 1 17 HIS H . . 3.780 3.652 2.841 3.780 . 0 0 "[ . 1 . 2]" 1
300 1 16 ASN HB3 1 41 LEU MD1 . . 5.500 3.796 3.438 5.020 . 0 0 "[ . 1 . 2]" 1
301 1 16 ASN HB3 1 41 LEU MD2 . . 5.500 3.185 2.716 4.863 . 0 0 "[ . 1 . 2]" 1
302 1 16 ASN HB3 1 76 ILE MG . . 4.390 4.002 3.714 4.392 0.002 18 0 "[ . 1 . 2]" 1
303 1 16 ASN QD 1 17 HIS H . . 4.970 4.350 3.700 4.739 . 0 0 "[ . 1 . 2]" 1
304 1 16 ASN QD 1 20 SER H . . 4.020 2.458 1.685 4.025 0.005 18 0 "[ . 1 . 2]" 1
305 1 16 ASN QD 1 20 SER QB . . 4.180 2.270 1.869 3.963 . 0 0 "[ . 1 . 2]" 1
306 1 16 ASN QD 1 21 SER H . . 3.570 2.334 1.765 3.542 . 0 0 "[ . 1 . 2]" 1
307 1 16 ASN QD 1 21 SER HB2 . . 3.750 2.549 2.066 3.110 . 0 0 "[ . 1 . 2]" 1
308 1 16 ASN QD 1 21 SER HB3 . . 4.130 3.917 3.527 4.142 0.012 18 0 "[ . 1 . 2]" 1
309 1 16 ASN QD 1 41 LEU QD . . 4.420 4.074 3.507 4.366 . 0 0 "[ . 1 . 2]" 1
310 1 16 ASN HD21 1 21 SER HB2 . . 4.300 2.637 2.096 3.429 . 0 0 "[ . 1 . 2]" 1
311 1 16 ASN HD22 1 21 SER HB2 . . 4.300 3.476 2.910 4.111 . 0 0 "[ . 1 . 2]" 1
312 1 17 HIS H 1 17 HIS HB2 . . 3.780 3.580 3.514 3.592 . 0 0 "[ . 1 . 2]" 1
313 1 17 HIS H 1 17 HIS QB . . 3.260 2.427 2.195 2.632 . 0 0 "[ . 1 . 2]" 1
314 1 17 HIS H 1 17 HIS HB3 . . 3.780 2.470 2.217 2.709 . 0 0 "[ . 1 . 2]" 1
315 1 17 HIS H 1 17 HIS HD2 . . 3.710 2.447 2.125 2.923 . 0 0 "[ . 1 . 2]" 1
316 1 17 HIS H 1 18 ASP H . . 3.960 2.726 2.580 2.826 . 0 0 "[ . 1 . 2]" 1
317 1 17 HIS H 1 76 ILE H . . 5.370 4.798 4.477 5.067 . 0 0 "[ . 1 . 2]" 1
318 1 17 HIS H 1 76 ILE MG . . 4.530 3.371 2.983 3.635 . 0 0 "[ . 1 . 2]" 1
319 1 17 HIS H 1 77 LEU MD2 . . 4.270 4.111 3.747 4.273 0.003 14 0 "[ . 1 . 2]" 1
320 1 17 HIS HA 1 75 MET ME . . 2.800 2.222 1.978 2.801 0.001 18 0 "[ . 1 . 2]" 1
321 1 17 HIS HA 1 77 LEU MD2 . . 4.500 2.739 2.217 2.924 . 0 0 "[ . 1 . 2]" 1
322 1 17 HIS QB 1 75 MET ME . . 4.260 3.727 3.517 4.100 . 0 0 "[ . 1 . 2]" 1
323 1 17 HIS QB 1 82 LYS H . . 5.270 4.700 4.276 4.981 . 0 0 "[ . 1 . 2]" 1
324 1 17 HIS HB2 1 18 ASP H . . 4.600 3.817 3.572 4.138 . 0 0 "[ . 1 . 2]" 1
325 1 17 HIS HB2 1 77 LEU MD2 . . 3.470 3.020 2.492 3.288 . 0 0 "[ . 1 . 2]" 1
326 1 17 HIS HB2 1 81 GLN HB2 . . 5.370 4.962 4.043 5.325 . 0 0 "[ . 1 . 2]" 1
327 1 17 HIS HB2 1 81 GLN HB3 . . 4.870 3.609 2.904 4.030 . 0 0 "[ . 1 . 2]" 1
328 1 17 HIS HB3 1 18 ASP H . . 4.600 3.906 3.732 4.143 . 0 0 "[ . 1 . 2]" 1
329 1 17 HIS HB3 1 77 LEU MD2 . . 3.470 2.722 2.384 3.058 . 0 0 "[ . 1 . 2]" 1
330 1 17 HIS HB3 1 81 GLN HB2 . . 5.370 4.435 4.023 4.738 . 0 0 "[ . 1 . 2]" 1
331 1 17 HIS HB3 1 81 GLN HB3 . . 4.870 3.644 3.274 3.996 . 0 0 "[ . 1 . 2]" 1
332 1 17 HIS HD2 1 18 ASP H . . 3.950 3.511 2.985 3.886 . 0 0 "[ . 1 . 2]" 1
333 1 17 HIS HD2 1 81 GLN HE21 . . 4.940 4.021 3.659 4.555 . 0 0 "[ . 1 . 2]" 1
334 1 17 HIS HD2 1 81 GLN HE22 . . 4.900 2.468 1.939 2.966 . 0 0 "[ . 1 . 2]" 1
335 1 17 HIS HE1 1 18 ASP QB . . 4.130 3.108 2.491 3.773 . 0 0 "[ . 1 . 2]" 1
336 1 18 ASP H 1 18 ASP HB2 . . 3.980 2.577 2.203 3.642 . 0 0 "[ . 1 . 2]" 1
337 1 18 ASP H 1 18 ASP QB . . 3.400 2.295 2.181 2.701 . 0 0 "[ . 1 . 2]" 1
338 1 18 ASP H 1 18 ASP HB3 . . 3.980 2.676 2.396 3.498 . 0 0 "[ . 1 . 2]" 1
339 1 18 ASP H 1 19 ARG H . . 3.090 2.667 2.376 2.799 . 0 0 "[ . 1 . 2]" 1
340 1 18 ASP H 1 19 ARG HA . . 4.850 4.735 4.615 4.802 . 0 0 "[ . 1 . 2]" 1
341 1 18 ASP H 1 20 SER H . . 4.200 3.972 3.740 4.174 . 0 0 "[ . 1 . 2]" 1
342 1 18 ASP H 1 75 MET ME . . 4.760 4.336 4.133 4.621 . 0 0 "[ . 1 . 2]" 1
343 1 18 ASP H 1 77 LEU MD2 . . 5.500 5.457 5.112 5.504 0.004 11 0 "[ . 1 . 2]" 1
344 1 18 ASP QB 1 19 ARG H . . 4.430 3.572 3.154 3.966 . 0 0 "[ . 1 . 2]" 1
345 1 18 ASP QB 1 20 SER H . . 5.030 3.229 2.700 4.389 . 0 0 "[ . 1 . 2]" 1
346 1 19 ARG H 1 19 ARG HG2 . . 4.050 3.556 3.098 3.940 . 0 0 "[ . 1 . 2]" 1
347 1 19 ARG H 1 19 ARG QG . . 3.540 2.711 2.430 3.116 . 0 0 "[ . 1 . 2]" 1
348 1 19 ARG H 1 19 ARG HG3 . . 4.050 2.823 2.494 3.310 . 0 0 "[ . 1 . 2]" 1
349 1 19 ARG H 1 20 SER H . . 3.350 2.995 2.672 3.081 . 0 0 "[ . 1 . 2]" 1
350 1 19 ARG H 1 75 MET ME . . 3.710 2.908 2.441 3.372 . 0 0 "[ . 1 . 2]" 1
351 1 19 ARG HA 1 19 ARG HD2 . . 5.500 4.636 4.314 4.837 . 0 0 "[ . 1 . 2]" 1
352 1 19 ARG HA 1 19 ARG QD . . 4.730 4.100 4.039 4.196 . 0 0 "[ . 1 . 2]" 1
353 1 19 ARG HA 1 19 ARG HD3 . . 5.500 4.595 4.409 4.889 . 0 0 "[ . 1 . 2]" 1
354 1 19 ARG HA 1 19 ARG HG2 . . 4.080 2.444 2.219 2.623 . 0 0 "[ . 1 . 2]" 1
355 1 19 ARG HA 1 19 ARG QG . . 3.540 2.322 2.167 2.489 . 0 0 "[ . 1 . 2]" 1
356 1 19 ARG HA 1 19 ARG HG3 . . 4.080 2.948 2.658 3.230 . 0 0 "[ . 1 . 2]" 1
357 1 19 ARG HA 1 21 SER H . . 4.140 3.882 3.620 4.031 . 0 0 "[ . 1 . 2]" 1
358 1 19 ARG HA 1 75 MET ME . . 3.560 3.386 2.860 3.563 0.003 20 0 "[ . 1 . 2]" 1
359 1 19 ARG QB 1 19 ARG QD . . 3.240 2.286 2.167 2.397 . 0 0 "[ . 1 . 2]" 1
360 1 19 ARG HB2 1 19 ARG HD2 . . 4.190 3.538 2.963 3.783 . 0 0 "[ . 1 . 2]" 1
361 1 19 ARG HB2 1 19 ARG HD3 . . 4.190 2.712 2.283 3.683 . 0 0 "[ . 1 . 2]" 1
362 1 19 ARG HB3 1 19 ARG HD2 . . 4.190 3.472 2.530 3.799 . 0 0 "[ . 1 . 2]" 1
363 1 19 ARG HB3 1 19 ARG HD3 . . 4.190 3.016 2.439 3.733 . 0 0 "[ . 1 . 2]" 1
364 1 19 ARG QD 1 75 MET ME . . 3.480 2.577 2.117 3.272 . 0 0 "[ . 1 . 2]" 1
365 1 19 ARG QD 1 83 TRP HE1 . . 5.220 4.198 3.525 4.865 . 0 0 "[ . 1 . 2]" 1
366 1 19 ARG HD2 1 19 ARG QH1 . . 4.440 2.046 1.892 2.507 . 0 0 "[ . 1 . 2]" 1
367 1 19 ARG HD2 1 86 SER HA . . 5.500 4.628 3.774 5.498 . 0 0 "[ . 1 . 2]" 1
368 1 19 ARG HD3 1 19 ARG QH1 . . 4.440 2.453 1.989 2.618 . 0 0 "[ . 1 . 2]" 1
369 1 19 ARG HD3 1 86 SER HA . . 5.500 3.841 2.204 5.498 . 0 0 "[ . 1 . 2]" 1
370 1 19 ARG HE 1 86 SER QB . . 5.000 4.603 3.251 5.002 0.002 16 0 "[ . 1 . 2]" 1
371 1 19 ARG QG 1 75 MET ME . . 2.710 1.853 1.717 2.315 . 0 0 "[ . 1 . 2]" 1
372 1 19 ARG HG2 1 75 MET ME . . 3.150 2.386 1.946 2.937 . 0 0 "[ . 1 . 2]" 1
373 1 19 ARG HG3 1 75 MET ME . . 3.150 1.992 1.839 2.507 . 0 0 "[ . 1 . 2]" 1
374 1 19 ARG QH1 1 83 TRP HE1 . . 4.280 3.902 3.335 4.272 . 0 0 "[ . 1 . 2]" 1
375 1 19 ARG QH1 1 85 PRO HA . . 4.260 2.851 2.138 3.809 . 0 0 "[ . 1 . 2]" 1
376 1 19 ARG QH1 1 86 SER H . . 4.420 2.847 2.254 3.667 . 0 0 "[ . 1 . 2]" 1
377 1 19 ARG QH1 1 86 SER HA . . 4.680 2.770 1.906 3.623 . 0 0 "[ . 1 . 2]" 1
378 1 19 ARG QH1 1 86 SER QB . . 5.340 2.491 1.842 3.716 . 0 0 "[ . 1 . 2]" 1
379 1 19 ARG QH1 1 87 GLY H . . 5.500 4.515 3.790 5.387 . 0 0 "[ . 1 . 2]" 1
380 1 20 SER H 1 20 SER HB2 . . 4.040 2.869 2.417 3.815 . 0 0 "[ . 1 . 2]" 1
381 1 20 SER H 1 20 SER QB . . 3.400 2.463 2.384 2.729 . 0 0 "[ . 1 . 2]" 1
382 1 20 SER H 1 20 SER HB3 . . 4.040 2.850 2.459 3.678 . 0 0 "[ . 1 . 2]" 1
383 1 20 SER H 1 21 SER H . . 2.930 1.953 1.822 2.029 . 0 0 "[ . 1 . 2]" 1
384 1 20 SER H 1 21 SER HB2 . . 4.380 4.034 3.952 4.111 . 0 0 "[ . 1 . 2]" 1
385 1 20 SER H 1 21 SER HB3 . . 5.500 5.484 5.398 5.507 0.007 18 0 "[ . 1 . 2]" 1
386 1 20 SER QB 1 21 SER H . . 4.280 2.836 2.652 3.568 . 0 0 "[ . 1 . 2]" 1
387 1 21 SER H 1 21 SER HB2 . . 3.170 2.335 2.257 2.476 . 0 0 "[ . 1 . 2]" 1
388 1 21 SER H 1 41 LEU QD . . 5.440 4.930 4.377 5.222 . 0 0 "[ . 1 . 2]" 1
389 1 21 SER HA 1 22 ARG H . . 3.370 2.290 2.237 2.377 . 0 0 "[ . 1 . 2]" 1
390 1 21 SER HB2 1 22 ARG HG3 . . 5.500 5.337 5.079 5.498 . 0 0 "[ . 1 . 2]" 1
391 1 21 SER HB2 1 23 ARG QB . . 5.340 5.315 5.200 5.349 0.009 18 0 "[ . 1 . 2]" 1
392 1 21 SER HB2 1 41 LEU QD . . 3.530 3.183 2.811 3.438 . 0 0 "[ . 1 . 2]" 1
393 1 21 SER HB3 1 22 ARG H . . 3.670 2.755 2.523 2.935 . 0 0 "[ . 1 . 2]" 1
394 1 21 SER HB3 1 22 ARG QB . . 5.210 5.090 4.920 5.162 . 0 0 "[ . 1 . 2]" 1
395 1 21 SER HB3 1 22 ARG HG3 . . 5.500 5.050 4.831 5.349 . 0 0 "[ . 1 . 2]" 1
396 1 21 SER HB3 1 23 ARG QB . . 4.730 4.207 3.989 4.604 . 0 0 "[ . 1 . 2]" 1
397 1 21 SER HB3 1 41 LEU QD . . 3.300 2.920 2.319 3.182 . 0 0 "[ . 1 . 2]" 1
398 1 22 ARG H 1 22 ARG HG2 . . 4.870 4.404 4.264 4.543 . 0 0 "[ . 1 . 2]" 1
399 1 22 ARG H 1 22 ARG HG3 . . 4.870 3.148 2.924 3.397 . 0 0 "[ . 1 . 2]" 1
400 1 22 ARG H 1 23 ARG QB . . 5.340 4.437 4.283 4.576 . 0 0 "[ . 1 . 2]" 1
401 1 22 ARG HA 1 22 ARG HG2 . . 3.970 2.840 2.571 2.924 . 0 0 "[ . 1 . 2]" 1
402 1 22 ARG HA 1 22 ARG HG3 . . 4.000 2.758 2.603 2.838 . 0 0 "[ . 1 . 2]" 1
403 1 22 ARG HA 1 23 ARG H . . 2.930 2.143 2.141 2.144 . 0 0 "[ . 1 . 2]" 1
404 1 22 ARG HA 1 41 LEU QD . . 5.300 4.895 4.158 5.141 . 0 0 "[ . 1 . 2]" 1
405 1 22 ARG QB 1 22 ARG HD2 . . 3.760 2.402 2.071 3.281 . 0 0 "[ . 1 . 2]" 1
406 1 22 ARG QB 1 22 ARG HD3 . . 3.760 2.702 2.087 3.282 . 0 0 "[ . 1 . 2]" 1
407 1 22 ARG QB 1 23 ARG H . . 3.760 3.421 3.334 3.449 . 0 0 "[ . 1 . 2]" 1
408 1 22 ARG HG2 1 23 ARG H . . 5.050 4.707 4.371 4.865 . 0 0 "[ . 1 . 2]" 1
409 1 22 ARG HG3 1 23 ARG H . . 5.330 4.869 4.729 4.939 . 0 0 "[ . 1 . 2]" 1
410 1 23 ARG H 1 23 ARG HB2 . . 3.850 2.847 2.713 3.460 . 0 0 "[ . 1 . 2]" 1
411 1 23 ARG H 1 23 ARG QB . . 3.110 2.569 2.446 2.615 . 0 0 "[ . 1 . 2]" 1
412 1 23 ARG H 1 23 ARG HB3 . . 3.850 2.960 2.501 3.021 . 0 0 "[ . 1 . 2]" 1
413 1 23 ARG H 1 23 ARG QD . . 5.110 4.513 4.353 4.626 . 0 0 "[ . 1 . 2]" 1
414 1 23 ARG H 1 23 ARG HG2 . . 5.500 4.571 4.502 4.713 . 0 0 "[ . 1 . 2]" 1
415 1 23 ARG H 1 23 ARG QG . . 4.820 4.184 3.768 4.256 . 0 0 "[ . 1 . 2]" 1
416 1 23 ARG H 1 23 ARG HG3 . . 5.500 4.879 3.963 4.974 . 0 0 "[ . 1 . 2]" 1
417 1 23 ARG H 1 41 LEU QD . . 4.650 4.306 3.531 4.611 . 0 0 "[ . 1 . 2]" 1
418 1 23 ARG HA 1 23 ARG HD2 . . 4.340 4.172 3.964 4.330 . 0 0 "[ . 1 . 2]" 1
419 1 23 ARG HA 1 23 ARG QD . . 3.730 3.136 2.596 3.436 . 0 0 "[ . 1 . 2]" 1
420 1 23 ARG HA 1 23 ARG HD3 . . 4.340 3.258 2.626 3.631 . 0 0 "[ . 1 . 2]" 1
421 1 23 ARG HA 1 24 GLY H . . 3.330 2.150 2.144 2.188 . 0 0 "[ . 1 . 2]" 1
422 1 23 ARG QB 1 23 ARG QD . . 3.260 2.250 2.135 2.828 . 0 0 "[ . 1 . 2]" 1
423 1 23 ARG QB 1 24 GLY H . . 3.930 3.722 3.565 3.756 . 0 0 "[ . 1 . 2]" 1
424 1 23 ARG QB 1 25 VAL QG . . 4.150 3.124 2.876 3.693 . 0 0 "[ . 1 . 2]" 1
425 1 23 ARG QB 1 40 ALA MB . . 3.640 3.301 2.926 3.642 0.002 14 0 "[ . 1 . 2]" 1
426 1 23 ARG QB 1 41 LEU QD . . 4.010 2.792 2.154 3.245 . 0 0 "[ . 1 . 2]" 1
427 1 23 ARG HB2 1 24 GLY H . . 4.710 4.433 4.043 4.479 . 0 0 "[ . 1 . 2]" 1
428 1 23 ARG HB3 1 24 GLY H . . 4.710 4.010 3.795 4.461 . 0 0 "[ . 1 . 2]" 1
429 1 23 ARG QD 1 24 GLY H . . 4.350 2.953 2.138 3.488 . 0 0 "[ . 1 . 2]" 1
430 1 23 ARG QD 1 25 VAL H . . 5.340 3.785 3.394 4.421 . 0 0 "[ . 1 . 2]" 1
431 1 23 ARG QD 1 25 VAL QG . . 3.790 1.884 1.703 2.128 . 0 0 "[ . 1 . 2]" 1
432 1 23 ARG QD 1 40 ALA MB . . 3.830 1.893 1.734 2.097 . 0 0 "[ . 1 . 2]" 1
433 1 23 ARG HD2 1 24 GLY H . . 5.070 4.218 3.896 4.405 . 0 0 "[ . 1 . 2]" 1
434 1 23 ARG HD2 1 25 VAL MG1 . . 5.200 4.330 3.880 4.709 . 0 0 "[ . 1 . 2]" 1
435 1 23 ARG HD2 1 25 VAL MG2 . . 5.200 2.384 1.869 2.911 . 0 0 "[ . 1 . 2]" 1
436 1 23 ARG HD2 1 37 THR MG . . 5.500 5.146 4.372 5.502 0.002 18 0 "[ . 1 . 2]" 1
437 1 23 ARG HD2 1 40 ALA MB . . 4.530 1.921 1.773 2.163 . 0 0 "[ . 1 . 2]" 1
438 1 23 ARG HD3 1 24 GLY H . . 5.070 3.043 2.148 3.664 . 0 0 "[ . 1 . 2]" 1
439 1 23 ARG HD3 1 25 VAL MG1 . . 5.200 4.448 4.115 4.844 . 0 0 "[ . 1 . 2]" 1
440 1 23 ARG HD3 1 25 VAL MG2 . . 5.200 2.080 1.769 2.526 . 0 0 "[ . 1 . 2]" 1
441 1 23 ARG HD3 1 37 THR MG . . 5.500 5.054 4.604 5.503 0.003 20 0 "[ . 1 . 2]" 1
442 1 23 ARG HD3 1 40 ALA MB . . 4.530 2.978 2.374 3.467 . 0 0 "[ . 1 . 2]" 1
443 1 23 ARG QG 1 24 GLY H . . 4.210 3.422 2.997 3.676 . 0 0 "[ . 1 . 2]" 1
444 1 23 ARG QG 1 25 VAL QG . . 3.850 3.480 2.018 3.783 . 0 0 "[ . 1 . 2]" 1
445 1 23 ARG QG 1 41 LEU QD . . 4.470 3.420 2.980 3.931 . 0 0 "[ . 1 . 2]" 1
446 1 23 ARG HG2 1 24 GLY H . . 4.930 3.567 3.048 4.741 . 0 0 "[ . 1 . 2]" 1
447 1 23 ARG HG3 1 24 GLY H . . 4.930 4.675 3.669 4.796 . 0 0 "[ . 1 . 2]" 1
448 1 25 VAL H 1 25 VAL HB . . 3.910 2.720 2.584 2.881 . 0 0 "[ . 1 . 2]" 1
449 1 25 VAL H 1 25 VAL MG1 . . 3.970 3.876 3.822 3.951 . 0 0 "[ . 1 . 2]" 1
450 1 25 VAL H 1 25 VAL QG . . 3.240 2.499 2.271 2.762 . 0 0 "[ . 1 . 2]" 1
451 1 25 VAL H 1 25 VAL MG2 . . 3.970 2.532 2.288 2.820 . 0 0 "[ . 1 . 2]" 1
452 1 25 VAL H 1 26 MET H . . 4.710 4.489 4.391 4.556 . 0 0 "[ . 1 . 2]" 1
453 1 25 VAL H 1 33 LEU QD . . 4.930 3.843 3.548 4.181 . 0 0 "[ . 1 . 2]" 1
454 1 25 VAL HA 1 25 VAL MG1 . . 3.320 2.264 2.131 2.424 . 0 0 "[ . 1 . 2]" 1
455 1 25 VAL HA 1 25 VAL QG . . 2.910 2.081 2.024 2.151 . 0 0 "[ . 1 . 2]" 1
456 1 25 VAL HA 1 25 VAL MG2 . . 3.320 2.443 2.297 2.574 . 0 0 "[ . 1 . 2]" 1
457 1 25 VAL HA 1 26 MET H . . 2.700 2.242 2.220 2.279 . 0 0 "[ . 1 . 2]" 1
458 1 25 VAL HA 1 26 MET HA . . 4.870 4.395 4.372 4.418 . 0 0 "[ . 1 . 2]" 1
459 1 25 VAL HA 1 26 MET QG . . 4.670 3.962 3.602 4.469 . 0 0 "[ . 1 . 2]" 1
460 1 25 VAL HB 1 26 MET H . . 3.830 3.802 3.712 3.834 0.004 8 0 "[ . 1 . 2]" 1
461 1 25 VAL HB 1 33 LEU HA . . 4.780 4.448 4.085 4.715 . 0 0 "[ . 1 . 2]" 1
462 1 25 VAL HB 1 33 LEU QD . . 3.400 2.061 1.937 2.271 . 0 0 "[ . 1 . 2]" 1
463 1 25 VAL HB 1 37 THR HA . . 5.500 4.704 4.359 5.025 . 0 0 "[ . 1 . 2]" 1
464 1 25 VAL QG 1 26 MET H . . 3.220 1.932 1.871 2.156 . 0 0 "[ . 1 . 2]" 1
465 1 25 VAL QG 1 27 ALA MB . . 3.440 3.144 2.809 3.404 . 0 0 "[ . 1 . 2]" 1
466 1 25 VAL QG 1 33 LEU HA . . 3.530 2.975 2.756 3.190 . 0 0 "[ . 1 . 2]" 1
467 1 25 VAL QG 1 33 LEU QD . . 2.790 2.095 1.838 2.377 . 0 0 "[ . 1 . 2]" 1
468 1 25 VAL QG 1 36 LYS H . . 4.810 4.293 4.035 4.516 . 0 0 "[ . 1 . 2]" 1
469 1 25 VAL QG 1 36 LYS HA . . 4.570 4.076 3.832 4.468 . 0 0 "[ . 1 . 2]" 1
470 1 25 VAL QG 1 36 LYS HB2 . . 3.930 2.477 2.130 2.841 . 0 0 "[ . 1 . 2]" 1
471 1 25 VAL QG 1 36 LYS HB3 . . 3.140 2.055 1.842 2.593 . 0 0 "[ . 1 . 2]" 1
472 1 25 VAL QG 1 36 LYS QD . . 3.950 2.171 1.821 3.196 . 0 0 "[ . 1 . 2]" 1
473 1 25 VAL QG 1 36 LYS QE . . 4.030 2.879 1.837 3.524 . 0 0 "[ . 1 . 2]" 1
474 1 25 VAL QG 1 36 LYS QG . . 4.680 3.348 3.083 3.986 . 0 0 "[ . 1 . 2]" 1
475 1 25 VAL QG 1 37 THR HA . . 3.390 2.561 2.306 2.884 . 0 0 "[ . 1 . 2]" 1
476 1 25 VAL QG 1 40 ALA H . . 4.160 4.050 3.940 4.159 . 0 0 "[ . 1 . 2]" 1
477 1 25 VAL QG 1 40 ALA MB . . 3.000 2.387 2.260 2.569 . 0 0 "[ . 1 . 2]" 1
478 1 25 VAL MG1 1 26 MET H . . 4.150 1.936 1.874 2.164 . 0 0 "[ . 1 . 2]" 1
479 1 25 VAL MG1 1 33 LEU MD1 . . 4.890 3.151 1.861 4.603 . 0 0 "[ . 1 . 2]" 1
480 1 25 VAL MG1 1 33 LEU MD2 . . 4.890 3.480 1.898 4.887 . 0 0 "[ . 1 . 2]" 1
481 1 25 VAL MG1 1 36 LYS HB2 . . 4.970 2.500 2.141 2.871 . 0 0 "[ . 1 . 2]" 1
482 1 25 VAL MG1 1 36 LYS QE . . 5.500 2.900 1.840 3.566 . 0 0 "[ . 1 . 2]" 1
483 1 25 VAL MG1 1 37 THR H . . 4.110 3.545 3.253 3.737 . 0 0 "[ . 1 . 2]" 1
484 1 25 VAL MG1 1 37 THR HA . . 4.050 3.794 3.243 4.034 . 0 0 "[ . 1 . 2]" 1
485 1 25 VAL MG1 1 39 ASP QB . . 5.500 5.246 5.081 5.426 . 0 0 "[ . 1 . 2]" 1
486 1 25 VAL MG1 1 40 ALA H . . 5.170 4.878 4.748 5.026 . 0 0 "[ . 1 . 2]" 1
487 1 25 VAL MG1 1 40 ALA MB . . 3.460 3.404 3.244 3.467 0.007 20 0 "[ . 1 . 2]" 1
488 1 25 VAL MG2 1 26 MET H . . 4.150 4.006 3.827 4.123 . 0 0 "[ . 1 . 2]" 1
489 1 25 VAL MG2 1 33 LEU MD1 . . 4.890 3.598 2.571 4.670 . 0 0 "[ . 1 . 2]" 1
490 1 25 VAL MG2 1 33 LEU MD2 . . 4.890 3.939 2.519 4.891 0.001 11 0 "[ . 1 . 2]" 1
491 1 25 VAL MG2 1 36 LYS HB2 . . 4.970 4.051 3.653 4.531 . 0 0 "[ . 1 . 2]" 1
492 1 25 VAL MG2 1 36 LYS QE . . 5.500 4.983 3.943 5.507 0.007 11 0 "[ . 1 . 2]" 1
493 1 25 VAL MG2 1 37 THR H . . 4.110 3.770 3.504 4.080 . 0 0 "[ . 1 . 2]" 1
494 1 25 VAL MG2 1 37 THR HA . . 4.050 2.607 2.326 2.959 . 0 0 "[ . 1 . 2]" 1
495 1 25 VAL MG2 1 39 ASP QB . . 5.500 5.462 5.244 5.506 0.006 20 0 "[ . 1 . 2]" 1
496 1 25 VAL MG2 1 40 ALA H . . 5.170 4.330 4.153 4.455 . 0 0 "[ . 1 . 2]" 1
497 1 25 VAL MG2 1 40 ALA MB . . 3.460 2.440 2.304 2.651 . 0 0 "[ . 1 . 2]" 1
498 1 26 MET H 1 26 MET QB . . 3.020 2.590 2.287 2.993 . 0 0 "[ . 1 . 2]" 1
499 1 26 MET H 1 26 MET HG2 . . 3.870 3.203 2.184 3.871 0.001 5 0 "[ . 1 . 2]" 1
500 1 26 MET H 1 26 MET QG . . 3.240 2.736 2.148 3.148 . 0 0 "[ . 1 . 2]" 1
501 1 26 MET H 1 26 MET HG3 . . 3.870 3.229 2.815 3.661 . 0 0 "[ . 1 . 2]" 1
502 1 26 MET H 1 27 ALA H . . 4.390 4.290 4.057 4.445 0.055 17 0 "[ . 1 . 2]" 1
503 1 26 MET H 1 36 LYS QD . . 5.070 3.901 3.229 4.728 . 0 0 "[ . 1 . 2]" 1
504 1 26 MET H 1 36 LYS QE . . 4.730 3.874 3.006 4.734 0.004 17 0 "[ . 1 . 2]" 1
505 1 26 MET HA 1 26 MET ME . . 3.930 3.479 3.051 3.933 0.003 20 0 "[ . 1 . 2]" 1
506 1 26 MET HA 1 26 MET QG . . 3.740 2.690 2.153 3.339 . 0 0 "[ . 1 . 2]" 1
507 1 26 MET HA 1 27 ALA H . . 2.830 2.171 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
508 1 26 MET HA 1 27 ALA MB . . 4.410 3.996 3.885 4.118 . 0 0 "[ . 1 . 2]" 1
509 1 26 MET QB 1 27 ALA H . . 3.640 3.324 2.813 3.640 . 0 0 "[ . 1 . 2]" 1
510 1 26 MET ME 1 26 MET HG2 . . 3.510 2.767 2.190 3.378 . 0 0 "[ . 1 . 2]" 1
511 1 26 MET ME 1 26 MET QG . . 2.940 2.387 2.155 2.731 . 0 0 "[ . 1 . 2]" 1
512 1 26 MET ME 1 26 MET HG3 . . 3.510 3.035 2.410 3.381 . 0 0 "[ . 1 . 2]" 1
513 1 26 MET ME 1 27 ALA H . . 4.390 4.180 3.834 4.391 0.001 5 0 "[ . 1 . 2]" 1
514 1 26 MET QG 1 27 ALA H . . 4.740 4.005 3.463 4.334 . 0 0 "[ . 1 . 2]" 1
515 1 26 MET HG2 1 27 ALA H . . 5.480 4.564 4.069 5.072 . 0 0 "[ . 1 . 2]" 1
516 1 26 MET HG3 1 27 ALA H . . 5.480 4.770 3.569 5.472 . 0 0 "[ . 1 . 2]" 1
517 1 27 ALA H 1 27 ALA MB . . 3.340 2.586 2.339 2.772 . 0 0 "[ . 1 . 2]" 1
518 1 27 ALA HA 1 28 SER H . . 3.080 2.293 2.163 2.516 . 0 0 "[ . 1 . 2]" 1
519 1 27 ALA HA 1 29 SER H . . 4.260 4.050 3.658 4.234 . 0 0 "[ . 1 . 2]" 1
520 1 27 ALA HA 1 32 GLU HG2 . . 4.050 2.854 2.489 3.104 . 0 0 "[ . 1 . 2]" 1
521 1 27 ALA HA 1 32 GLU HG3 . . 4.860 4.478 4.150 4.804 . 0 0 "[ . 1 . 2]" 1
522 1 27 ALA HA 1 36 LYS QE . . 4.760 3.476 2.661 4.332 . 0 0 "[ . 1 . 2]" 1
523 1 27 ALA MB 1 28 SER H . . 3.490 2.657 2.149 3.075 . 0 0 "[ . 1 . 2]" 1
524 1 27 ALA MB 1 28 SER HA . . 5.280 4.296 4.115 4.425 . 0 0 "[ . 1 . 2]" 1
525 1 27 ALA MB 1 29 SER H . . 3.140 2.634 2.372 3.033 . 0 0 "[ . 1 . 2]" 1
526 1 27 ALA MB 1 32 GLU H . . 4.330 4.069 3.849 4.236 . 0 0 "[ . 1 . 2]" 1
527 1 27 ALA MB 1 32 GLU HA . . 4.300 4.217 4.125 4.301 0.001 6 0 "[ . 1 . 2]" 1
528 1 27 ALA MB 1 32 GLU HB2 . . 3.730 3.611 3.443 3.738 0.008 5 0 "[ . 1 . 2]" 1
529 1 27 ALA MB 1 32 GLU QB . . 3.240 2.142 1.960 2.289 . 0 0 "[ . 1 . 2]" 1
530 1 27 ALA MB 1 32 GLU HB3 . . 3.730 2.158 1.971 2.310 . 0 0 "[ . 1 . 2]" 1
531 1 27 ALA MB 1 32 GLU HG2 . . 3.610 1.950 1.841 2.131 . 0 0 "[ . 1 . 2]" 1
532 1 27 ALA MB 1 32 GLU HG3 . . 4.120 3.382 3.250 3.536 . 0 0 "[ . 1 . 2]" 1
533 1 27 ALA MB 1 33 LEU H . . 3.170 2.567 2.300 2.725 . 0 0 "[ . 1 . 2]" 1
534 1 27 ALA MB 1 33 LEU HA . . 3.070 2.311 2.112 2.522 . 0 0 "[ . 1 . 2]" 1
535 1 27 ALA MB 1 33 LEU QB . . 3.090 2.007 1.815 2.116 . 0 0 "[ . 1 . 2]" 1
536 1 27 ALA MB 1 33 LEU MD1 . . 4.330 3.307 2.309 4.331 0.001 15 0 "[ . 1 . 2]" 1
537 1 27 ALA MB 1 33 LEU QD . . 2.970 2.617 2.283 2.893 . 0 0 "[ . 1 . 2]" 1
538 1 27 ALA MB 1 33 LEU MD2 . . 4.330 3.250 2.590 3.750 . 0 0 "[ . 1 . 2]" 1
539 1 27 ALA MB 1 34 ILE H . . 4.680 4.578 4.364 4.682 0.002 17 0 "[ . 1 . 2]" 1
540 1 27 ALA MB 1 36 LYS QD . . 3.750 2.495 2.073 3.748 . 0 0 "[ . 1 . 2]" 1
541 1 27 ALA MB 1 36 LYS QE . . 3.700 3.214 1.961 3.708 0.008 17 0 "[ . 1 . 2]" 1
542 1 27 ALA MB 1 65 PHE QE . . 5.240 3.584 3.380 3.788 . 0 0 "[ . 1 . 2]" 1
543 1 27 ALA MB 1 65 PHE HZ . . 3.980 3.164 2.796 3.525 . 0 0 "[ . 1 . 2]" 1
544 1 28 SER H 1 28 SER HB2 . . 4.040 3.108 2.570 3.666 . 0 0 "[ . 1 . 2]" 1
545 1 28 SER H 1 28 SER HB3 . . 4.040 2.451 2.196 2.689 . 0 0 "[ . 1 . 2]" 1
546 1 28 SER H 1 29 SER H . . 3.030 2.391 2.078 2.567 . 0 0 "[ . 1 . 2]" 1
547 1 28 SER H 1 32 GLU HB2 . . 4.750 4.168 3.714 4.634 . 0 0 "[ . 1 . 2]" 1
548 1 28 SER H 1 32 GLU QB . . 3.960 3.226 2.825 3.688 . 0 0 "[ . 1 . 2]" 1
549 1 28 SER H 1 32 GLU HB3 . . 4.750 3.360 2.901 3.872 . 0 0 "[ . 1 . 2]" 1
550 1 28 SER H 1 32 GLU HG2 . . 4.770 3.332 2.751 3.825 . 0 0 "[ . 1 . 2]" 1
551 1 28 SER QB 1 29 SER H . . 3.700 3.116 2.550 3.701 0.001 9 0 "[ . 1 . 2]" 1
552 1 28 SER HB2 1 29 SER H . . 4.480 4.072 3.773 4.365 . 0 0 "[ . 1 . 2]" 1
553 1 28 SER HB3 1 29 SER H . . 4.480 3.309 2.585 4.117 . 0 0 "[ . 1 . 2]" 1
554 1 29 SER H 1 29 SER QB . . 3.660 2.896 2.734 3.269 . 0 0 "[ . 1 . 2]" 1
555 1 29 SER H 1 30 LEU H . . 4.610 4.390 4.360 4.410 . 0 0 "[ . 1 . 2]" 1
556 1 29 SER H 1 32 GLU H . . 4.310 4.014 3.771 4.201 . 0 0 "[ . 1 . 2]" 1
557 1 29 SER H 1 32 GLU HB2 . . 3.830 3.527 3.076 3.832 0.002 15 0 "[ . 1 . 2]" 1
558 1 29 SER H 1 32 GLU QB . . 3.140 2.442 2.085 2.645 . 0 0 "[ . 1 . 2]" 1
559 1 29 SER H 1 32 GLU HB3 . . 3.830 2.492 2.121 2.700 . 0 0 "[ . 1 . 2]" 1
560 1 29 SER H 1 32 GLU HG2 . . 4.290 3.980 3.673 4.218 . 0 0 "[ . 1 . 2]" 1
561 1 29 SER H 1 32 GLU HG3 . . 5.500 5.097 4.721 5.353 . 0 0 "[ . 1 . 2]" 1
562 1 29 SER H 1 33 LEU H . . 4.330 4.080 3.818 4.303 . 0 0 "[ . 1 . 2]" 1
563 1 29 SER H 1 65 PHE QE . . 4.700 4.030 3.803 4.270 . 0 0 "[ . 1 . 2]" 1
564 1 29 SER H 1 65 PHE HZ . . 4.930 3.742 3.455 4.095 . 0 0 "[ . 1 . 2]" 1
565 1 29 SER HA 1 31 GLN H . . 5.140 4.965 4.467 5.139 . 0 0 "[ . 1 . 2]" 1
566 1 29 SER HA 1 65 PHE QD . . 4.870 3.254 3.052 3.539 . 0 0 "[ . 1 . 2]" 1
567 1 29 SER HA 1 65 PHE QE . . 4.380 2.054 1.998 2.213 . 0 0 "[ . 1 . 2]" 1
568 1 29 SER HA 1 66 GLN HE21 . . 5.180 2.693 2.102 3.375 . 0 0 "[ . 1 . 2]" 1
569 1 29 SER HA 1 66 GLN QE . . 4.330 2.532 2.052 2.977 . 0 0 "[ . 1 . 2]" 1
570 1 29 SER HA 1 66 GLN HE22 . . 5.180 3.146 2.553 3.585 . 0 0 "[ . 1 . 2]" 1
571 1 29 SER QB 1 30 LEU H . . 3.290 2.147 2.073 2.294 . 0 0 "[ . 1 . 2]" 1
572 1 29 SER QB 1 31 GLN H . . 3.550 3.118 2.470 3.312 . 0 0 "[ . 1 . 2]" 1
573 1 29 SER QB 1 31 GLN HB2 . . 5.340 4.510 4.092 4.737 . 0 0 "[ . 1 . 2]" 1
574 1 29 SER QB 1 32 GLU H . . 4.240 2.772 2.647 3.231 . 0 0 "[ . 1 . 2]" 1
575 1 29 SER QB 1 32 GLU QB . . 4.700 3.114 2.902 3.783 . 0 0 "[ . 1 . 2]" 1
576 1 29 SER QB 1 65 PHE QE . . 5.340 3.965 3.885 4.051 . 0 0 "[ . 1 . 2]" 1
577 1 29 SER QB 1 66 GLN QE . . 4.320 3.029 2.678 3.279 . 0 0 "[ . 1 . 2]" 1
578 1 29 SER HB2 1 30 LEU H . . 3.830 2.803 2.102 2.993 . 0 0 "[ . 1 . 2]" 1
579 1 29 SER HB2 1 30 LEU HB3 . . 5.270 4.620 3.902 4.897 . 0 0 "[ . 1 . 2]" 1
580 1 29 SER HB2 1 31 GLN H . . 4.240 3.360 2.487 3.651 . 0 0 "[ . 1 . 2]" 1
581 1 29 SER HB2 1 65 PHE QD . . 5.500 5.446 5.016 5.506 0.006 8 0 "[ . 1 . 2]" 1
582 1 29 SER HB2 1 65 PHE HZ . . 5.500 5.424 5.275 5.501 0.001 10 0 "[ . 1 . 2]" 1
583 1 29 SER HB2 1 66 GLN HE21 . . 5.500 4.681 4.256 4.950 . 0 0 "[ . 1 . 2]" 1
584 1 29 SER HB2 1 66 GLN HE22 . . 5.500 5.253 4.649 5.497 . 0 0 "[ . 1 . 2]" 1
585 1 29 SER HB3 1 30 LEU H . . 3.830 2.328 2.120 3.278 . 0 0 "[ . 1 . 2]" 1
586 1 29 SER HB3 1 30 LEU HB3 . . 5.270 4.272 4.009 5.235 . 0 0 "[ . 1 . 2]" 1
587 1 29 SER HB3 1 31 GLN H . . 4.240 3.808 3.543 4.251 0.011 13 0 "[ . 1 . 2]" 1
588 1 29 SER HB3 1 65 PHE QD . . 5.500 4.477 4.292 5.108 . 0 0 "[ . 1 . 2]" 1
589 1 29 SER HB3 1 65 PHE HZ . . 5.500 5.447 5.332 5.502 0.002 20 0 "[ . 1 . 2]" 1
590 1 29 SER HB3 1 66 GLN HE21 . . 5.500 3.213 2.818 3.493 . 0 0 "[ . 1 . 2]" 1
591 1 29 SER HB3 1 66 GLN HE22 . . 5.500 4.047 3.369 4.461 . 0 0 "[ . 1 . 2]" 1
592 1 29 SER HG 1 32 GLU H . . 5.180 4.348 2.197 4.982 . 0 0 "[ . 1 . 2]" 1
593 1 30 LEU H 1 30 LEU HB2 . . 3.540 2.818 2.695 2.968 . 0 0 "[ . 1 . 2]" 1
594 1 30 LEU H 1 30 LEU HB3 . . 3.430 2.271 2.160 2.380 . 0 0 "[ . 1 . 2]" 1
595 1 30 LEU H 1 30 LEU MD1 . . 4.450 4.304 4.231 4.359 . 0 0 "[ . 1 . 2]" 1
596 1 30 LEU H 1 30 LEU MD2 . . 4.320 4.090 4.004 4.192 . 0 0 "[ . 1 . 2]" 1
597 1 30 LEU H 1 30 LEU HG . . 4.590 4.283 4.124 4.386 . 0 0 "[ . 1 . 2]" 1
598 1 30 LEU H 1 31 GLN H . . 3.340 2.683 2.479 2.794 . 0 0 "[ . 1 . 2]" 1
599 1 30 LEU H 1 32 GLU H . . 4.850 4.100 3.915 4.356 . 0 0 "[ . 1 . 2]" 1
600 1 30 LEU H 1 62 GLU HA . . 4.490 3.660 3.377 3.971 . 0 0 "[ . 1 . 2]" 1
601 1 30 LEU H 1 65 PHE HB2 . . 5.390 4.576 4.259 4.878 . 0 0 "[ . 1 . 2]" 1
602 1 30 LEU H 1 65 PHE QD . . 4.370 3.454 3.374 3.543 . 0 0 "[ . 1 . 2]" 1
603 1 30 LEU H 1 65 PHE QE . . 4.880 3.740 3.608 3.852 . 0 0 "[ . 1 . 2]" 1
604 1 30 LEU HA 1 30 LEU MD1 . . 3.070 2.506 2.334 2.730 . 0 0 "[ . 1 . 2]" 1
605 1 30 LEU HA 1 30 LEU MD2 . . 4.120 3.997 3.952 4.034 . 0 0 "[ . 1 . 2]" 1
606 1 30 LEU HA 1 30 LEU HG . . 4.030 3.168 2.996 3.345 . 0 0 "[ . 1 . 2]" 1
607 1 30 LEU HA 1 32 GLU H . . 4.840 4.466 4.145 4.811 . 0 0 "[ . 1 . 2]" 1
608 1 30 LEU HA 1 33 LEU H . . 3.800 3.490 3.262 3.727 . 0 0 "[ . 1 . 2]" 1
609 1 30 LEU HA 1 33 LEU HB2 . . 3.930 3.653 3.386 3.896 . 0 0 "[ . 1 . 2]" 1
610 1 30 LEU HA 1 33 LEU QB . . 3.320 2.762 2.597 2.931 . 0 0 "[ . 1 . 2]" 1
611 1 30 LEU HA 1 33 LEU HB3 . . 3.930 2.860 2.683 3.044 . 0 0 "[ . 1 . 2]" 1
612 1 30 LEU HA 1 33 LEU QD . . 4.100 3.579 3.213 3.968 . 0 0 "[ . 1 . 2]" 1
613 1 30 LEU HA 1 33 LEU HG . . 5.360 4.949 4.472 5.350 . 0 0 "[ . 1 . 2]" 1
614 1 30 LEU HA 1 34 ILE H . . 4.500 4.017 3.758 4.214 . 0 0 "[ . 1 . 2]" 1
615 1 30 LEU HA 1 65 PHE QD . . 4.620 2.724 2.515 2.904 . 0 0 "[ . 1 . 2]" 1
616 1 30 LEU HA 1 65 PHE QE . . 4.620 2.759 2.525 2.961 . 0 0 "[ . 1 . 2]" 1
617 1 30 LEU HB2 1 30 LEU MD1 . . 3.170 2.174 2.008 2.254 . 0 0 "[ . 1 . 2]" 1
618 1 30 LEU HB2 1 31 GLN H . . 4.250 3.819 3.696 4.135 . 0 0 "[ . 1 . 2]" 1
619 1 30 LEU HB2 1 59 VAL MG1 . . 4.280 3.428 2.951 3.906 . 0 0 "[ . 1 . 2]" 1
620 1 30 LEU HB2 1 62 GLU HA . . 3.920 3.302 3.142 3.617 . 0 0 "[ . 1 . 2]" 1
621 1 30 LEU HB2 1 65 PHE H . . 4.510 4.309 4.240 4.408 . 0 0 "[ . 1 . 2]" 1
622 1 30 LEU HB2 1 65 PHE HB2 . . 4.450 2.162 2.038 2.366 . 0 0 "[ . 1 . 2]" 1
623 1 30 LEU HB2 1 65 PHE HB3 . . 4.610 2.316 2.099 2.484 . 0 0 "[ . 1 . 2]" 1
624 1 30 LEU HB2 1 65 PHE QD . . 4.940 2.612 2.395 2.884 . 0 0 "[ . 1 . 2]" 1
625 1 30 LEU HB3 1 30 LEU MD2 . . 3.390 2.153 1.976 2.235 . 0 0 "[ . 1 . 2]" 1
626 1 30 LEU HB3 1 31 GLN H . . 3.250 2.399 2.206 2.891 . 0 0 "[ . 1 . 2]" 1
627 1 30 LEU HB3 1 31 GLN HA . . 5.190 4.438 4.248 4.710 . 0 0 "[ . 1 . 2]" 1
628 1 30 LEU HB3 1 62 GLU HA . . 4.050 2.928 2.611 3.199 . 0 0 "[ . 1 . 2]" 1
629 1 30 LEU HB3 1 65 PHE H . . 5.490 5.139 4.902 5.285 . 0 0 "[ . 1 . 2]" 1
630 1 30 LEU HB3 1 65 PHE HB2 . . 5.060 3.735 3.533 4.018 . 0 0 "[ . 1 . 2]" 1
631 1 30 LEU HB3 1 65 PHE HB3 . . 5.000 3.291 3.026 3.482 . 0 0 "[ . 1 . 2]" 1
632 1 30 LEU MD1 1 31 GLN H . . 4.370 4.260 4.021 4.370 . 0 0 "[ . 1 . 2]" 1
633 1 30 LEU MD1 1 31 GLN HA . . 4.830 4.472 4.105 4.785 . 0 0 "[ . 1 . 2]" 1
634 1 30 LEU MD1 1 33 LEU H . . 4.970 4.779 4.519 4.969 . 0 0 "[ . 1 . 2]" 1
635 1 30 LEU MD1 1 33 LEU QB . . 4.380 3.287 3.100 3.502 . 0 0 "[ . 1 . 2]" 1
636 1 30 LEU MD1 1 33 LEU QD . . 3.540 2.951 2.731 3.108 . 0 0 "[ . 1 . 2]" 1
637 1 30 LEU MD1 1 34 ILE H . . 4.160 3.573 3.189 3.785 . 0 0 "[ . 1 . 2]" 1
638 1 30 LEU MD1 1 34 ILE MD . . 3.200 2.215 1.896 2.732 . 0 0 "[ . 1 . 2]" 1
639 1 30 LEU MD1 1 34 ILE HG12 . . 4.500 3.478 3.094 3.852 . 0 0 "[ . 1 . 2]" 1
640 1 30 LEU MD1 1 34 ILE HG13 . . 3.450 2.574 2.059 2.960 . 0 0 "[ . 1 . 2]" 1
641 1 30 LEU MD1 1 50 LEU QB . . 4.090 3.313 3.034 3.540 . 0 0 "[ . 1 . 2]" 1
642 1 30 LEU MD1 1 50 LEU QD . . 3.130 2.239 1.863 2.516 . 0 0 "[ . 1 . 2]" 1
643 1 30 LEU MD1 1 59 VAL HB . . 4.200 2.752 2.317 3.327 . 0 0 "[ . 1 . 2]" 1
644 1 30 LEU MD1 1 59 VAL MG1 . . 3.140 1.993 1.753 2.250 . 0 0 "[ . 1 . 2]" 1
645 1 30 LEU MD1 1 59 VAL MG2 . . 4.340 3.781 3.430 4.182 . 0 0 "[ . 1 . 2]" 1
646 1 30 LEU MD1 1 61 THR H . . 5.160 4.142 3.380 4.753 . 0 0 "[ . 1 . 2]" 1
647 1 30 LEU MD1 1 62 GLU HA . . 4.710 4.657 4.474 4.711 0.001 3 0 "[ . 1 . 2]" 1
648 1 30 LEU MD1 1 65 PHE H . . 5.020 4.777 4.345 5.019 . 0 0 "[ . 1 . 2]" 1
649 1 30 LEU MD1 1 65 PHE HA . . 5.110 4.243 3.827 4.621 . 0 0 "[ . 1 . 2]" 1
650 1 30 LEU MD1 1 65 PHE HB2 . . 4.020 2.420 2.092 2.766 . 0 0 "[ . 1 . 2]" 1
651 1 30 LEU MD1 1 65 PHE HB3 . . 4.480 3.604 3.255 3.836 . 0 0 "[ . 1 . 2]" 1
652 1 30 LEU MD1 1 65 PHE QD . . 3.720 2.270 1.975 2.767 . 0 0 "[ . 1 . 2]" 1
653 1 30 LEU MD1 1 65 PHE QE . . 4.610 3.695 3.381 4.108 . 0 0 "[ . 1 . 2]" 1
654 1 30 LEU MD2 1 31 GLN H . . 3.960 3.474 3.081 3.968 0.008 13 0 "[ . 1 . 2]" 1
655 1 30 LEU MD2 1 31 GLN HA . . 4.810 4.078 3.661 4.405 . 0 0 "[ . 1 . 2]" 1
656 1 30 LEU MD2 1 50 LEU QD . . 4.790 4.061 3.543 4.401 . 0 0 "[ . 1 . 2]" 1
657 1 30 LEU MD2 1 59 VAL MG1 . . 3.340 2.351 1.891 3.120 . 0 0 "[ . 1 . 2]" 1
658 1 30 LEU MD2 1 60 ASP H . . 4.300 3.833 3.476 4.093 . 0 0 "[ . 1 . 2]" 1
659 1 30 LEU MD2 1 60 ASP HB2 . . 5.000 4.433 4.026 4.799 . 0 0 "[ . 1 . 2]" 1
660 1 30 LEU MD2 1 60 ASP QB . . 4.380 3.931 3.682 4.326 . 0 0 "[ . 1 . 2]" 1
661 1 30 LEU MD2 1 60 ASP HB3 . . 5.000 4.424 3.905 4.918 . 0 0 "[ . 1 . 2]" 1
662 1 30 LEU MD2 1 61 THR H . . 3.360 2.609 1.984 3.134 . 0 0 "[ . 1 . 2]" 1
663 1 30 LEU MD2 1 61 THR HA . . 3.880 3.418 2.920 3.695 . 0 0 "[ . 1 . 2]" 1
664 1 30 LEU MD2 1 61 THR MG . . 4.770 4.436 3.947 4.758 . 0 0 "[ . 1 . 2]" 1
665 1 30 LEU MD2 1 62 GLU H . . 4.360 3.790 3.275 4.171 . 0 0 "[ . 1 . 2]" 1
666 1 30 LEU MD2 1 62 GLU HA . . 3.910 3.182 2.904 3.454 . 0 0 "[ . 1 . 2]" 1
667 1 30 LEU MD2 1 62 GLU QB . . 4.650 3.934 3.533 4.419 . 0 0 "[ . 1 . 2]" 1
668 1 30 LEU MD2 1 62 GLU QG . . 5.340 4.435 3.274 5.124 . 0 0 "[ . 1 . 2]" 1
669 1 30 LEU MD2 1 65 PHE H . . 4.420 4.234 3.978 4.394 . 0 0 "[ . 1 . 2]" 1
670 1 30 LEU MD2 1 65 PHE HB2 . . 4.230 3.199 2.878 3.501 . 0 0 "[ . 1 . 2]" 1
671 1 30 LEU MD2 1 65 PHE HB3 . . 4.540 3.443 3.113 3.658 . 0 0 "[ . 1 . 2]" 1
672 1 30 LEU MD2 1 65 PHE QD . . 4.860 4.109 3.834 4.398 . 0 0 "[ . 1 . 2]" 1
673 1 30 LEU HG 1 31 GLN H . . 3.990 3.059 2.701 3.351 . 0 0 "[ . 1 . 2]" 1
674 1 30 LEU HG 1 31 GLN HA . . 4.230 3.164 2.927 3.412 . 0 0 "[ . 1 . 2]" 1
675 1 30 LEU HG 1 34 ILE MD . . 3.280 2.028 1.897 2.207 . 0 0 "[ . 1 . 2]" 1
676 1 31 GLN H 1 31 GLN HB2 . . 2.960 2.499 2.379 2.620 . 0 0 "[ . 1 . 2]" 1
677 1 31 GLN H 1 31 GLN HB3 . . 3.100 2.575 2.441 2.719 . 0 0 "[ . 1 . 2]" 1
678 1 31 GLN H 1 31 GLN HG2 . . 4.790 4.615 4.581 4.643 . 0 0 "[ . 1 . 2]" 1
679 1 31 GLN H 1 31 GLN QG . . 4.100 4.029 3.987 4.051 . 0 0 "[ . 1 . 2]" 1
680 1 31 GLN H 1 31 GLN HG3 . . 4.790 4.441 4.385 4.468 . 0 0 "[ . 1 . 2]" 1
681 1 31 GLN H 1 32 GLU H . . 3.310 2.915 2.724 2.985 . 0 0 "[ . 1 . 2]" 1
682 1 31 GLN H 1 32 GLU HA . . 5.500 5.463 5.301 5.508 0.008 10 0 "[ . 1 . 2]" 1
683 1 31 GLN H 1 34 ILE MD . . 4.690 4.144 3.746 4.395 . 0 0 "[ . 1 . 2]" 1
684 1 31 GLN H 1 62 GLU HA . . 5.160 4.873 4.638 5.161 0.001 3 0 "[ . 1 . 2]" 1
685 1 31 GLN HA 1 31 GLN HG2 . . 3.970 3.820 3.763 3.869 . 0 0 "[ . 1 . 2]" 1
686 1 31 GLN HA 1 31 GLN QG . . 3.400 2.830 2.658 3.143 . 0 0 "[ . 1 . 2]" 1
687 1 31 GLN HA 1 31 GLN HG3 . . 3.970 2.921 2.718 3.358 . 0 0 "[ . 1 . 2]" 1
688 1 31 GLN HA 1 33 LEU H . . 4.900 4.531 4.224 4.855 . 0 0 "[ . 1 . 2]" 1
689 1 31 GLN HA 1 34 ILE H . . 4.120 4.026 3.829 4.122 0.002 20 0 "[ . 1 . 2]" 1
690 1 31 GLN HA 1 34 ILE HB . . 3.440 3.075 2.891 3.279 . 0 0 "[ . 1 . 2]" 1
691 1 31 GLN HA 1 34 ILE MD . . 3.510 2.713 2.315 2.989 . 0 0 "[ . 1 . 2]" 1
692 1 31 GLN HA 1 34 ILE HG13 . . 4.980 4.175 3.952 4.528 . 0 0 "[ . 1 . 2]" 1
693 1 31 GLN HA 1 34 ILE MG . . 4.600 4.329 4.094 4.546 . 0 0 "[ . 1 . 2]" 1
694 1 31 GLN HA 1 35 SER H . . 4.270 4.072 3.879 4.270 0.000 1 0 "[ . 1 . 2]" 1
695 1 31 GLN HB2 1 32 GLU H . . 4.060 3.837 3.661 3.967 . 0 0 "[ . 1 . 2]" 1
696 1 31 GLN HB3 1 32 GLU H . . 3.380 2.493 2.257 2.669 . 0 0 "[ . 1 . 2]" 1
697 1 31 GLN HB3 1 32 GLU HA . . 4.640 4.258 4.083 4.402 . 0 0 "[ . 1 . 2]" 1
698 1 31 GLN HB3 1 34 ILE MD . . 5.500 5.277 4.895 5.498 . 0 0 "[ . 1 . 2]" 1
699 1 31 GLN QE 1 34 ILE MG . . 4.750 3.738 3.344 4.423 . 0 0 "[ . 1 . 2]" 1
700 1 31 GLN HE21 1 34 ILE MG . . 5.430 4.161 3.709 5.068 . 0 0 "[ . 1 . 2]" 1
701 1 31 GLN HE22 1 34 ILE MG . . 5.430 4.288 3.680 4.874 . 0 0 "[ . 1 . 2]" 1
702 1 31 GLN QG 1 32 GLU H . . 4.070 3.448 3.007 3.799 . 0 0 "[ . 1 . 2]" 1
703 1 31 GLN QG 1 32 GLU HA . . 4.380 3.527 3.201 3.862 . 0 0 "[ . 1 . 2]" 1
704 1 31 GLN HG2 1 32 GLU H . . 4.630 4.323 4.019 4.596 . 0 0 "[ . 1 . 2]" 1
705 1 31 GLN HG2 1 32 GLU HA . . 4.990 4.850 4.628 4.985 . 0 0 "[ . 1 . 2]" 1
706 1 31 GLN HG3 1 32 GLU H . . 4.630 3.630 3.075 4.051 . 0 0 "[ . 1 . 2]" 1
707 1 31 GLN HG3 1 32 GLU HA . . 4.990 3.628 3.241 4.022 . 0 0 "[ . 1 . 2]" 1
708 1 32 GLU H 1 32 GLU HB2 . . 3.140 2.560 2.474 2.653 . 0 0 "[ . 1 . 2]" 1
709 1 32 GLU H 1 32 GLU HB3 . . 3.140 2.493 2.399 2.582 . 0 0 "[ . 1 . 2]" 1
710 1 32 GLU H 1 32 GLU HG2 . . 4.670 4.476 4.401 4.540 . 0 0 "[ . 1 . 2]" 1
711 1 32 GLU H 1 32 GLU HG3 . . 4.770 4.428 4.398 4.450 . 0 0 "[ . 1 . 2]" 1
712 1 32 GLU H 1 33 LEU H . . 3.110 2.791 2.659 2.933 . 0 0 "[ . 1 . 2]" 1
713 1 32 GLU H 1 33 LEU HA . . 5.470 5.368 5.268 5.473 0.003 5 0 "[ . 1 . 2]" 1
714 1 32 GLU H 1 33 LEU QB . . 5.340 4.479 4.369 4.624 . 0 0 "[ . 1 . 2]" 1
715 1 32 GLU HA 1 32 GLU HG2 . . 3.630 3.484 3.406 3.550 . 0 0 "[ . 1 . 2]" 1
716 1 32 GLU HA 1 32 GLU HG3 . . 3.290 2.477 2.392 2.559 . 0 0 "[ . 1 . 2]" 1
717 1 32 GLU HA 1 35 SER H . . 4.380 4.189 3.899 4.380 0.000 11 0 "[ . 1 . 2]" 1
718 1 32 GLU HA 1 36 LYS H . . 4.430 4.328 4.106 4.435 0.005 15 0 "[ . 1 . 2]" 1
719 1 32 GLU HA 1 36 LYS QG . . 5.010 4.040 3.799 4.420 . 0 0 "[ . 1 . 2]" 1
720 1 32 GLU QB 1 33 LEU H . . 3.360 2.478 2.219 2.693 . 0 0 "[ . 1 . 2]" 1
721 1 32 GLU HB2 1 33 LEU H . . 4.060 3.859 3.678 4.013 . 0 0 "[ . 1 . 2]" 1
722 1 32 GLU HB3 1 33 LEU H . . 4.060 2.509 2.237 2.737 . 0 0 "[ . 1 . 2]" 1
723 1 32 GLU HG2 1 33 LEU H . . 4.230 3.595 3.253 3.844 . 0 0 "[ . 1 . 2]" 1
724 1 32 GLU HG2 1 36 LYS H . . 5.270 5.167 4.865 5.272 0.002 18 0 "[ . 1 . 2]" 1
725 1 32 GLU HG2 1 36 LYS HB2 . . 5.410 4.634 4.454 4.866 . 0 0 "[ . 1 . 2]" 1
726 1 32 GLU HG2 1 36 LYS QD . . 4.260 2.653 1.960 4.136 . 0 0 "[ . 1 . 2]" 1
727 1 32 GLU HG2 1 36 LYS QE . . 3.680 3.253 1.965 3.696 0.016 10 0 "[ . 1 . 2]" 1
728 1 32 GLU HG2 1 36 LYS QG . . 5.340 3.527 3.066 3.940 . 0 0 "[ . 1 . 2]" 1
729 1 32 GLU HG3 1 33 LEU H . . 4.470 4.304 4.038 4.470 . 0 0 "[ . 1 . 2]" 1
730 1 32 GLU HG3 1 36 LYS H . . 4.810 4.760 4.561 4.814 0.004 18 0 "[ . 1 . 2]" 1
731 1 32 GLU HG3 1 36 LYS HB2 . . 5.280 4.880 4.546 5.091 . 0 0 "[ . 1 . 2]" 1
732 1 32 GLU HG3 1 36 LYS QD . . 4.410 3.095 2.057 4.394 . 0 0 "[ . 1 . 2]" 1
733 1 32 GLU HG3 1 36 LYS QE . . 4.210 3.577 2.096 4.216 0.006 5 0 "[ . 1 . 2]" 1
734 1 32 GLU HG3 1 36 LYS QG . . 4.420 3.068 2.829 3.367 . 0 0 "[ . 1 . 2]" 1
735 1 33 LEU H 1 33 LEU HB2 . . 3.180 2.577 2.479 2.647 . 0 0 "[ . 1 . 2]" 1
736 1 33 LEU H 1 33 LEU HB3 . . 3.180 2.434 2.366 2.548 . 0 0 "[ . 1 . 2]" 1
737 1 33 LEU H 1 33 LEU MD1 . . 4.260 4.093 4.011 4.191 . 0 0 "[ . 1 . 2]" 1
738 1 33 LEU H 1 33 LEU MD2 . . 4.260 4.129 4.017 4.221 . 0 0 "[ . 1 . 2]" 1
739 1 33 LEU H 1 33 LEU HG . . 4.790 4.501 4.388 4.612 . 0 0 "[ . 1 . 2]" 1
740 1 33 LEU H 1 34 ILE H . . 3.320 3.024 2.930 3.158 . 0 0 "[ . 1 . 2]" 1
741 1 33 LEU HA 1 33 LEU MD1 . . 4.080 2.737 2.027 3.469 . 0 0 "[ . 1 . 2]" 1
742 1 33 LEU HA 1 33 LEU QD . . 2.910 2.111 1.988 2.466 . 0 0 "[ . 1 . 2]" 1
743 1 33 LEU HA 1 33 LEU MD2 . . 4.080 3.091 2.001 3.976 . 0 0 "[ . 1 . 2]" 1
744 1 33 LEU HA 1 33 LEU HG . . 4.110 3.394 3.120 3.716 . 0 0 "[ . 1 . 2]" 1
745 1 33 LEU HA 1 34 ILE HA . . 5.050 4.903 4.862 4.918 . 0 0 "[ . 1 . 2]" 1
746 1 33 LEU HA 1 36 LYS H . . 3.970 3.510 3.326 3.972 0.002 11 0 "[ . 1 . 2]" 1
747 1 33 LEU HA 1 36 LYS HB2 . . 3.960 2.493 2.275 2.975 . 0 0 "[ . 1 . 2]" 1
748 1 33 LEU HA 1 36 LYS HB3 . . 5.040 4.031 3.779 4.478 . 0 0 "[ . 1 . 2]" 1
749 1 33 LEU HA 1 37 THR H . . 4.680 3.830 3.709 4.115 . 0 0 "[ . 1 . 2]" 1
750 1 33 LEU QB 1 33 LEU QD . . 2.690 1.941 1.845 2.009 . 0 0 "[ . 1 . 2]" 1
751 1 33 LEU QB 1 34 ILE H . . 3.250 2.069 1.992 2.129 . 0 0 "[ . 1 . 2]" 1
752 1 33 LEU HB2 1 34 ILE H . . 4.000 3.605 3.551 3.648 . 0 0 "[ . 1 . 2]" 1
753 1 33 LEU HB2 1 65 PHE QE . . 5.340 2.951 2.615 3.300 . 0 0 "[ . 1 . 2]" 1
754 1 33 LEU HB3 1 34 ILE H . . 4.000 2.081 2.002 2.143 . 0 0 "[ . 1 . 2]" 1
755 1 33 LEU HB3 1 65 PHE QE . . 5.340 3.265 2.933 3.605 . 0 0 "[ . 1 . 2]" 1
756 1 33 LEU QD 1 34 ILE HA . . 4.110 3.101 2.105 3.916 . 0 0 "[ . 1 . 2]" 1
757 1 33 LEU QD 1 34 ILE MD . . 4.440 4.102 3.673 4.444 0.004 18 0 "[ . 1 . 2]" 1
758 1 33 LEU QD 1 34 ILE MG . . 5.440 4.432 3.767 4.990 . 0 0 "[ . 1 . 2]" 1
759 1 33 LEU QD 1 37 THR H . . 4.380 3.115 2.451 4.091 . 0 0 "[ . 1 . 2]" 1
760 1 33 LEU QD 1 37 THR HB . . 4.980 3.993 3.218 4.664 . 0 0 "[ . 1 . 2]" 1
761 1 33 LEU QD 1 37 THR HG1 . . 3.230 2.498 1.746 3.220 . 0 0 "[ . 1 . 2]" 1
762 1 33 LEU QD 1 50 LEU QD . . 2.970 1.858 1.643 2.261 . 0 0 "[ . 1 . 2]" 1
763 1 33 LEU QD 1 65 PHE QD . . 4.300 3.644 3.118 4.218 . 0 0 "[ . 1 . 2]" 1
764 1 33 LEU QD 1 65 PHE QE . . 3.570 2.811 1.986 3.571 0.001 10 0 "[ . 1 . 2]" 1
765 1 33 LEU QD 1 65 PHE HZ . . 5.440 4.365 3.714 4.899 . 0 0 "[ . 1 . 2]" 1
766 1 33 LEU QD 1 74 PHE HZ . . 4.950 4.156 3.381 4.861 . 0 0 "[ . 1 . 2]" 1
767 1 33 LEU QD 1 76 ILE MD . . 5.440 4.595 4.012 5.155 . 0 0 "[ . 1 . 2]" 1
768 1 33 LEU MD1 1 34 ILE H . . 4.150 3.311 2.138 4.145 . 0 0 "[ . 1 . 2]" 1
769 1 33 LEU MD1 1 34 ILE HA . . 4.720 3.472 2.114 4.608 . 0 0 "[ . 1 . 2]" 1
770 1 33 LEU MD1 1 37 THR HG1 . . 3.940 2.682 1.947 3.420 . 0 0 "[ . 1 . 2]" 1
771 1 33 LEU MD1 1 65 PHE QE . . 4.490 3.863 3.622 4.277 . 0 0 "[ . 1 . 2]" 1
772 1 33 LEU MD1 1 74 PHE QD . . 4.100 3.455 2.855 4.052 . 0 0 "[ . 1 . 2]" 1
773 1 33 LEU MD1 1 74 PHE QE . . 4.080 3.823 3.450 4.083 0.003 18 0 "[ . 1 . 2]" 1
774 1 33 LEU MD2 1 34 ILE H . . 4.150 3.544 3.129 3.804 . 0 0 "[ . 1 . 2]" 1
775 1 33 LEU MD2 1 34 ILE HA . . 4.720 4.020 3.731 4.287 . 0 0 "[ . 1 . 2]" 1
776 1 33 LEU MD2 1 37 THR HG1 . . 3.940 3.065 1.963 3.949 0.009 18 0 "[ . 1 . 2]" 1
777 1 33 LEU MD2 1 65 PHE QE . . 4.490 3.185 1.991 4.491 0.001 5 0 "[ . 1 . 2]" 1
778 1 33 LEU MD2 1 74 PHE QD . . 4.100 3.154 2.456 3.834 . 0 0 "[ . 1 . 2]" 1
779 1 33 LEU MD2 1 74 PHE QE . . 4.080 3.329 2.276 4.086 0.006 10 0 "[ . 1 . 2]" 1
780 1 33 LEU HG 1 34 ILE H . . 4.310 3.487 2.772 4.315 0.005 17 0 "[ . 1 . 2]" 1
781 1 33 LEU HG 1 34 ILE HA . . 5.500 4.093 3.108 5.239 . 0 0 "[ . 1 . 2]" 1
782 1 33 LEU HG 1 37 THR H . . 5.500 4.648 3.853 5.516 0.016 5 0 "[ . 1 . 2]" 1
783 1 33 LEU HG 1 37 THR HG1 . . 4.970 3.307 2.411 4.506 . 0 0 "[ . 1 . 2]" 1
784 1 33 LEU HG 1 50 LEU QD . . 4.460 3.166 2.658 3.667 . 0 0 "[ . 1 . 2]" 1
785 1 33 LEU HG 1 65 PHE QE . . 5.110 4.069 2.910 5.080 . 0 0 "[ . 1 . 2]" 1
786 1 34 ILE H 1 34 ILE HB . . 3.040 2.618 2.533 2.699 . 0 0 "[ . 1 . 2]" 1
787 1 34 ILE H 1 34 ILE MD . . 3.590 3.362 3.212 3.548 . 0 0 "[ . 1 . 2]" 1
788 1 34 ILE H 1 34 ILE HG12 . . 4.000 3.489 3.333 3.599 . 0 0 "[ . 1 . 2]" 1
789 1 34 ILE H 1 34 ILE HG13 . . 3.170 2.054 1.911 2.216 . 0 0 "[ . 1 . 2]" 1
790 1 34 ILE H 1 34 ILE MG . . 3.800 3.787 3.777 3.791 . 0 0 "[ . 1 . 2]" 1
791 1 34 ILE H 1 35 SER H . . 3.330 3.211 3.080 3.329 . 0 0 "[ . 1 . 2]" 1
792 1 34 ILE H 1 50 LEU QD . . 5.300 3.279 3.013 3.487 . 0 0 "[ . 1 . 2]" 1
793 1 34 ILE HA 1 34 ILE MD . . 3.980 3.838 3.800 3.867 . 0 0 "[ . 1 . 2]" 1
794 1 34 ILE HA 1 34 ILE HG12 . . 3.110 2.632 2.511 2.740 . 0 0 "[ . 1 . 2]" 1
795 1 34 ILE HA 1 34 ILE HG13 . . 3.570 2.728 2.629 2.846 . 0 0 "[ . 1 . 2]" 1
796 1 34 ILE HA 1 34 ILE MG . . 2.970 2.426 2.363 2.493 . 0 0 "[ . 1 . 2]" 1
797 1 34 ILE HA 1 36 LYS H . . 4.870 4.469 4.277 4.628 . 0 0 "[ . 1 . 2]" 1
798 1 34 ILE HA 1 37 THR H . . 3.740 3.673 3.365 3.748 0.008 10 0 "[ . 1 . 2]" 1
799 1 34 ILE HA 1 37 THR HB . . 3.340 3.080 2.572 3.310 . 0 0 "[ . 1 . 2]" 1
800 1 34 ILE HA 1 37 THR HG1 . . 3.720 2.503 2.000 3.287 . 0 0 "[ . 1 . 2]" 1
801 1 34 ILE HA 1 37 THR MG . . 4.350 4.185 3.724 4.359 0.009 17 0 "[ . 1 . 2]" 1
802 1 34 ILE HA 1 38 LEU H . . 4.630 4.375 4.158 4.551 . 0 0 "[ . 1 . 2]" 1
803 1 34 ILE HA 1 38 LEU MD1 . . 5.140 4.791 4.523 5.076 . 0 0 "[ . 1 . 2]" 1
804 1 34 ILE HA 1 38 LEU HG . . 5.500 5.122 4.854 5.402 . 0 0 "[ . 1 . 2]" 1
805 1 34 ILE HA 1 50 LEU QB . . 5.340 3.919 3.583 4.219 . 0 0 "[ . 1 . 2]" 1
806 1 34 ILE HA 1 50 LEU QD . . 4.860 2.696 2.403 3.040 . 0 0 "[ . 1 . 2]" 1
807 1 34 ILE HA 1 76 ILE MD . . 4.150 3.949 3.676 4.143 . 0 0 "[ . 1 . 2]" 1
808 1 34 ILE HB 1 34 ILE MD . . 3.120 2.275 2.139 2.399 . 0 0 "[ . 1 . 2]" 1
809 1 34 ILE HB 1 35 SER H . . 3.140 2.237 2.031 2.416 . 0 0 "[ . 1 . 2]" 1
810 1 34 ILE MD 1 35 SER H . . 4.320 4.160 3.868 4.319 . 0 0 "[ . 1 . 2]" 1
811 1 34 ILE MD 1 50 LEU H . . 4.690 3.932 3.280 4.434 . 0 0 "[ . 1 . 2]" 1
812 1 34 ILE MD 1 50 LEU QB . . 3.820 2.831 2.484 3.169 . 0 0 "[ . 1 . 2]" 1
813 1 34 ILE MD 1 50 LEU QD . . 3.540 2.753 2.302 3.087 . 0 0 "[ . 1 . 2]" 1
814 1 34 ILE MD 1 50 LEU HG . . 5.180 4.908 4.667 5.181 0.001 15 0 "[ . 1 . 2]" 1
815 1 34 ILE HG12 1 50 LEU H . . 4.620 4.182 3.931 4.504 . 0 0 "[ . 1 . 2]" 1
816 1 34 ILE HG12 1 50 LEU QD . . 3.660 2.058 1.916 2.249 . 0 0 "[ . 1 . 2]" 1
817 1 34 ILE HG13 1 34 ILE MG . . 3.520 3.181 3.155 3.200 . 0 0 "[ . 1 . 2]" 1
818 1 34 ILE HG13 1 35 SER H . . 4.640 4.302 4.191 4.406 . 0 0 "[ . 1 . 2]" 1
819 1 34 ILE HG13 1 50 LEU MD1 . . 4.570 3.860 3.450 4.489 . 0 0 "[ . 1 . 2]" 1
820 1 34 ILE HG13 1 50 LEU QD . . 3.890 2.106 1.911 2.487 . 0 0 "[ . 1 . 2]" 1
821 1 34 ILE HG13 1 50 LEU MD2 . . 4.570 2.115 1.921 2.499 . 0 0 "[ . 1 . 2]" 1
822 1 34 ILE MG 1 35 SER H . . 3.430 2.832 2.620 3.050 . 0 0 "[ . 1 . 2]" 1
823 1 34 ILE MG 1 35 SER HA . . 3.840 3.064 2.925 3.255 . 0 0 "[ . 1 . 2]" 1
824 1 34 ILE MG 1 35 SER QB . . 3.970 3.782 3.593 3.912 . 0 0 "[ . 1 . 2]" 1
825 1 34 ILE MG 1 36 LYS H . . 4.860 4.727 4.637 4.790 . 0 0 "[ . 1 . 2]" 1
826 1 34 ILE MG 1 37 THR H . . 5.110 4.855 4.435 5.008 . 0 0 "[ . 1 . 2]" 1
827 1 34 ILE MG 1 37 THR HB . . 4.430 3.916 3.354 4.078 . 0 0 "[ . 1 . 2]" 1
828 1 34 ILE MG 1 38 LEU H . . 5.330 4.231 3.816 4.486 . 0 0 "[ . 1 . 2]" 1
829 1 34 ILE MG 1 50 LEU QB . . 4.450 3.253 2.921 3.564 . 0 0 "[ . 1 . 2]" 1
830 1 34 ILE MG 1 50 LEU QD . . 4.620 3.295 2.970 3.510 . 0 0 "[ . 1 . 2]" 1
831 1 35 SER H 1 35 SER HA . . 2.900 2.750 2.663 2.795 . 0 0 "[ . 1 . 2]" 1
832 1 35 SER H 1 35 SER QB . . 3.030 2.284 2.201 2.447 . 0 0 "[ . 1 . 2]" 1
833 1 35 SER H 1 36 LYS H . . 3.270 2.855 2.690 3.156 . 0 0 "[ . 1 . 2]" 1
834 1 35 SER H 1 37 THR H . . 4.590 4.530 4.297 4.591 0.001 2 0 "[ . 1 . 2]" 1
835 1 35 SER H 1 38 LEU MD1 . . 4.540 4.409 4.201 4.530 . 0 0 "[ . 1 . 2]" 1
836 1 35 SER HA 1 38 LEU H . . 4.200 3.995 3.852 4.199 . 0 0 "[ . 1 . 2]" 1
837 1 35 SER HA 1 38 LEU HB2 . . 3.850 3.379 3.135 3.582 . 0 0 "[ . 1 . 2]" 1
838 1 35 SER HA 1 38 LEU MD1 . . 3.920 2.426 2.115 2.827 . 0 0 "[ . 1 . 2]" 1
839 1 35 SER HA 1 38 LEU HG . . 4.590 4.429 4.239 4.585 . 0 0 "[ . 1 . 2]" 1
840 1 35 SER QB 1 36 LYS H . . 3.560 2.741 2.308 3.429 . 0 0 "[ . 1 . 2]" 1
841 1 35 SER QB 1 38 LEU HB2 . . 5.500 5.046 4.592 5.268 . 0 0 "[ . 1 . 2]" 1
842 1 35 SER QB 1 38 LEU MD1 . . 4.270 4.094 3.744 4.220 . 0 0 "[ . 1 . 2]" 1
843 1 36 LYS H 1 36 LYS HB2 . . 2.870 2.298 2.182 2.469 . 0 0 "[ . 1 . 2]" 1
844 1 36 LYS H 1 36 LYS HB3 . . 4.000 3.545 3.491 3.585 . 0 0 "[ . 1 . 2]" 1
845 1 36 LYS H 1 36 LYS QD . . 4.580 3.917 3.378 4.429 . 0 0 "[ . 1 . 2]" 1
846 1 36 LYS H 1 36 LYS QE . . 5.170 4.915 3.647 5.195 0.025 10 0 "[ . 1 . 2]" 1
847 1 36 LYS H 1 36 LYS HG2 . . 3.820 3.735 3.520 3.830 0.010 17 0 "[ . 1 . 2]" 1
848 1 36 LYS H 1 36 LYS QG . . 3.220 2.576 2.193 2.863 . 0 0 "[ . 1 . 2]" 1
849 1 36 LYS H 1 36 LYS HG3 . . 3.820 2.632 2.214 2.993 . 0 0 "[ . 1 . 2]" 1
850 1 36 LYS H 1 37 THR H . . 3.160 2.789 2.709 2.867 . 0 0 "[ . 1 . 2]" 1
851 1 36 LYS H 1 37 THR HG1 . . 4.610 4.380 4.023 4.605 . 0 0 "[ . 1 . 2]" 1
852 1 36 LYS H 1 38 LEU H . . 4.840 4.445 4.096 4.828 . 0 0 "[ . 1 . 2]" 1
853 1 36 LYS H 1 39 ASP QB . . 5.500 5.242 5.011 5.501 0.001 5 0 "[ . 1 . 2]" 1
854 1 36 LYS HA 1 36 LYS QD . . 4.240 3.981 3.663 4.173 . 0 0 "[ . 1 . 2]" 1
855 1 36 LYS HA 1 36 LYS QE . . 4.700 4.489 4.193 4.701 0.001 7 0 "[ . 1 . 2]" 1
856 1 36 LYS HA 1 36 LYS HG2 . . 3.640 2.452 2.163 2.757 . 0 0 "[ . 1 . 2]" 1
857 1 36 LYS HA 1 36 LYS QG . . 3.050 2.307 2.127 2.453 . 0 0 "[ . 1 . 2]" 1
858 1 36 LYS HA 1 36 LYS HG3 . . 3.640 2.904 2.721 3.171 . 0 0 "[ . 1 . 2]" 1
859 1 36 LYS HA 1 37 THR HA . . 5.110 4.923 4.892 4.947 . 0 0 "[ . 1 . 2]" 1
860 1 36 LYS HA 1 39 ASP H . . 4.070 3.470 3.240 3.634 . 0 0 "[ . 1 . 2]" 1
861 1 36 LYS HA 1 39 ASP QB . . 3.260 2.954 2.684 3.202 . 0 0 "[ . 1 . 2]" 1
862 1 36 LYS HB2 1 36 LYS QE . . 4.960 3.634 2.504 4.266 . 0 0 "[ . 1 . 2]" 1
863 1 36 LYS HB2 1 37 THR H . . 3.680 2.459 2.335 2.699 . 0 0 "[ . 1 . 2]" 1
864 1 36 LYS HB2 1 37 THR HA . . 5.500 4.430 4.198 4.606 . 0 0 "[ . 1 . 2]" 1
865 1 36 LYS HB3 1 36 LYS QE . . 4.920 3.326 2.436 4.055 . 0 0 "[ . 1 . 2]" 1
866 1 36 LYS HB3 1 37 THR H . . 4.620 3.143 2.916 3.411 . 0 0 "[ . 1 . 2]" 1
867 1 36 LYS HB3 1 37 THR HA . . 5.250 4.085 3.915 4.319 . 0 0 "[ . 1 . 2]" 1
868 1 36 LYS HB3 1 39 ASP QB . . 4.500 4.384 4.110 4.502 0.002 7 0 "[ . 1 . 2]" 1
869 1 36 LYS QE 1 36 LYS HG2 . . 3.890 2.539 2.069 3.375 . 0 0 "[ . 1 . 2]" 1
870 1 36 LYS QE 1 36 LYS HG3 . . 3.890 2.899 2.062 3.518 . 0 0 "[ . 1 . 2]" 1
871 1 36 LYS QG 1 37 THR H . . 4.680 4.164 4.038 4.257 . 0 0 "[ . 1 . 2]" 1
872 1 36 LYS QG 1 39 ASP QB . . 4.620 4.256 3.799 4.570 . 0 0 "[ . 1 . 2]" 1
873 1 37 THR H 1 37 THR HB . . 3.150 2.783 2.634 2.924 . 0 0 "[ . 1 . 2]" 1
874 1 37 THR H 1 37 THR HG1 . . 3.070 2.204 1.899 2.569 . 0 0 "[ . 1 . 2]" 1
875 1 37 THR H 1 37 THR MG . . 3.830 3.752 3.702 3.780 . 0 0 "[ . 1 . 2]" 1
876 1 37 THR H 1 38 LEU HG . . 5.500 5.460 5.363 5.507 0.007 18 0 "[ . 1 . 2]" 1
877 1 37 THR H 1 39 ASP H . . 5.050 4.439 4.212 4.720 . 0 0 "[ . 1 . 2]" 1
878 1 37 THR HA 1 37 THR MG . . 3.160 2.294 2.207 2.377 . 0 0 "[ . 1 . 2]" 1
879 1 37 THR HA 1 39 ASP H . . 5.100 4.435 4.134 4.909 . 0 0 "[ . 1 . 2]" 1
880 1 37 THR HA 1 40 ALA H . . 3.830 3.422 3.135 3.683 . 0 0 "[ . 1 . 2]" 1
881 1 37 THR HA 1 40 ALA HA . . 5.500 5.242 4.904 5.500 . 0 0 "[ . 1 . 2]" 1
882 1 37 THR HA 1 40 ALA MB . . 3.190 2.490 1.989 2.816 . 0 0 "[ . 1 . 2]" 1
883 1 37 THR HA 1 41 LEU H . . 4.360 3.629 3.316 3.985 . 0 0 "[ . 1 . 2]" 1
884 1 37 THR HA 1 41 LEU QD . . 5.210 4.073 3.760 4.473 . 0 0 "[ . 1 . 2]" 1
885 1 37 THR HB 1 38 LEU H . . 3.420 2.319 2.005 2.669 . 0 0 "[ . 1 . 2]" 1
886 1 37 THR HB 1 38 LEU HB2 . . 4.890 4.556 4.390 4.684 . 0 0 "[ . 1 . 2]" 1
887 1 37 THR HB 1 38 LEU MD1 . . 4.690 4.516 4.299 4.692 0.002 18 0 "[ . 1 . 2]" 1
888 1 37 THR HB 1 38 LEU HG . . 4.910 3.698 3.504 3.915 . 0 0 "[ . 1 . 2]" 1
889 1 37 THR HB 1 76 ILE MD . . 3.720 3.042 2.813 3.384 . 0 0 "[ . 1 . 2]" 1
890 1 37 THR HG1 1 38 LEU H . . 4.100 3.933 3.787 4.103 0.003 5 0 "[ . 1 . 2]" 1
891 1 37 THR HG1 1 76 ILE MD . . 4.530 4.214 3.569 4.532 0.002 5 0 "[ . 1 . 2]" 1
892 1 37 THR MG 1 38 LEU H . . 3.820 3.352 2.989 3.807 . 0 0 "[ . 1 . 2]" 1
893 1 37 THR MG 1 38 LEU HA . . 4.400 3.533 3.333 3.933 . 0 0 "[ . 1 . 2]" 1
894 1 37 THR MG 1 38 LEU HG . . 4.630 4.155 3.800 4.551 . 0 0 "[ . 1 . 2]" 1
895 1 37 THR MG 1 40 ALA H . . 4.950 4.655 4.296 4.950 0.000 18 0 "[ . 1 . 2]" 1
896 1 37 THR MG 1 40 ALA MB . . 3.910 3.452 3.091 3.745 . 0 0 "[ . 1 . 2]" 1
897 1 37 THR MG 1 41 LEU H . . 4.170 3.568 3.203 3.810 . 0 0 "[ . 1 . 2]" 1
898 1 37 THR MG 1 41 LEU QB . . 3.890 3.054 2.727 3.375 . 0 0 "[ . 1 . 2]" 1
899 1 37 THR MG 1 41 LEU QD . . 3.040 2.056 1.871 2.336 . 0 0 "[ . 1 . 2]" 1
900 1 37 THR MG 1 41 LEU HG . . 3.710 3.301 2.981 3.687 . 0 0 "[ . 1 . 2]" 1
901 1 37 THR MG 1 50 LEU MD1 . . 5.310 2.927 2.610 3.164 . 0 0 "[ . 1 . 2]" 1
902 1 37 THR MG 1 50 LEU QD . . 3.810 2.890 2.591 3.117 . 0 0 "[ . 1 . 2]" 1
903 1 37 THR MG 1 50 LEU MD2 . . 5.310 4.493 4.209 4.791 . 0 0 "[ . 1 . 2]" 1
904 1 37 THR MG 1 76 ILE HB . . 3.330 2.927 2.767 3.327 . 0 0 "[ . 1 . 2]" 1
905 1 38 LEU H 1 38 LEU HB2 . . 3.290 2.334 2.198 2.444 . 0 0 "[ . 1 . 2]" 1
906 1 38 LEU H 1 38 LEU HB3 . . 3.630 3.562 3.504 3.600 . 0 0 "[ . 1 . 2]" 1
907 1 38 LEU H 1 38 LEU MD1 . . 3.710 3.272 3.175 3.390 . 0 0 "[ . 1 . 2]" 1
908 1 38 LEU H 1 38 LEU MD2 . . 4.570 3.922 3.718 4.070 . 0 0 "[ . 1 . 2]" 1
909 1 38 LEU H 1 38 LEU HG . . 3.070 2.632 2.416 2.914 . 0 0 "[ . 1 . 2]" 1
910 1 38 LEU H 1 39 ASP H . . 3.290 2.902 2.688 3.050 . 0 0 "[ . 1 . 2]" 1
911 1 38 LEU H 1 39 ASP QB . . 4.830 4.660 4.476 4.780 . 0 0 "[ . 1 . 2]" 1
912 1 38 LEU H 1 43 ILE MD . . 4.350 4.112 3.697 4.349 . 0 0 "[ . 1 . 2]" 1
913 1 38 LEU H 1 76 ILE MD . . 4.360 4.198 3.862 4.363 0.003 18 0 "[ . 1 . 2]" 1
914 1 38 LEU HA 1 38 LEU MD1 . . 4.270 3.834 3.815 3.861 . 0 0 "[ . 1 . 2]" 1
915 1 38 LEU HA 1 38 LEU MD2 . . 2.930 2.388 2.257 2.581 . 0 0 "[ . 1 . 2]" 1
916 1 38 LEU HA 1 38 LEU HG . . 4.020 2.612 2.556 2.736 . 0 0 "[ . 1 . 2]" 1
917 1 38 LEU HA 1 40 ALA H . . 4.970 4.693 4.388 4.971 0.001 12 0 "[ . 1 . 2]" 1
918 1 38 LEU HA 1 41 LEU H . . 4.510 4.010 3.612 4.230 . 0 0 "[ . 1 . 2]" 1
919 1 38 LEU HA 1 42 VAL H . . 4.930 4.483 4.047 4.719 . 0 0 "[ . 1 . 2]" 1
920 1 38 LEU HA 1 43 ILE H . . 3.680 3.315 3.128 3.509 . 0 0 "[ . 1 . 2]" 1
921 1 38 LEU HA 1 43 ILE HB . . 3.510 3.253 3.006 3.448 . 0 0 "[ . 1 . 2]" 1
922 1 38 LEU HA 1 43 ILE MD . . 3.500 2.246 1.979 2.641 . 0 0 "[ . 1 . 2]" 1
923 1 38 LEU HA 1 43 ILE HG12 . . 4.550 4.397 3.986 4.548 . 0 0 "[ . 1 . 2]" 1
924 1 38 LEU HA 1 43 ILE HG13 . . 4.550 2.929 2.403 3.211 . 0 0 "[ . 1 . 2]" 1
925 1 38 LEU HA 1 43 ILE MG . . 4.550 4.458 4.334 4.548 . 0 0 "[ . 1 . 2]" 1
926 1 38 LEU HA 1 76 ILE MD . . 4.600 4.314 4.003 4.597 . 0 0 "[ . 1 . 2]" 1
927 1 38 LEU HB2 1 38 LEU MD1 . . 3.600 2.166 2.004 2.247 . 0 0 "[ . 1 . 2]" 1
928 1 38 LEU HB2 1 38 LEU MD2 . . 3.440 3.142 3.118 3.161 . 0 0 "[ . 1 . 2]" 1
929 1 38 LEU HB2 1 39 ASP H . . 3.610 2.615 2.362 2.762 . 0 0 "[ . 1 . 2]" 1
930 1 38 LEU HB2 1 39 ASP HA . . 4.900 4.578 4.441 4.667 . 0 0 "[ . 1 . 2]" 1
931 1 38 LEU HB2 1 39 ASP QB . . 5.170 4.120 3.981 4.355 . 0 0 "[ . 1 . 2]" 1
932 1 38 LEU HB2 1 46 GLY HA2 . . 5.500 5.253 4.861 5.502 0.002 18 0 "[ . 1 . 2]" 1
933 1 38 LEU HB3 1 38 LEU MD1 . . 3.530 2.597 2.510 2.689 . 0 0 "[ . 1 . 2]" 1
934 1 38 LEU HB3 1 38 LEU MD2 . . 3.640 2.175 2.023 2.269 . 0 0 "[ . 1 . 2]" 1
935 1 38 LEU HB3 1 39 ASP H . . 3.950 3.280 3.004 3.531 . 0 0 "[ . 1 . 2]" 1
936 1 38 LEU HB3 1 39 ASP HA . . 4.770 4.108 3.983 4.227 . 0 0 "[ . 1 . 2]" 1
937 1 38 LEU HB3 1 39 ASP QB . . 4.990 4.557 4.354 4.907 . 0 0 "[ . 1 . 2]" 1
938 1 38 LEU MD1 1 39 ASP H . . 4.460 4.354 4.046 4.463 0.003 12 0 "[ . 1 . 2]" 1
939 1 38 LEU MD1 1 39 ASP QB . . 5.500 5.270 5.124 5.504 0.004 18 0 "[ . 1 . 2]" 1
940 1 38 LEU MD1 1 46 GLY H . . 5.500 5.357 5.099 5.500 . 0 0 "[ . 1 . 2]" 1
941 1 38 LEU MD1 1 46 GLY HA2 . . 3.500 2.978 2.702 3.178 . 0 0 "[ . 1 . 2]" 1
942 1 38 LEU MD1 1 46 GLY HA3 . . 4.320 3.645 3.397 3.832 . 0 0 "[ . 1 . 2]" 1
943 1 38 LEU MD2 1 39 ASP H . . 4.910 4.708 4.542 4.829 . 0 0 "[ . 1 . 2]" 1
944 1 38 LEU MD2 1 43 ILE H . . 3.960 3.711 3.493 3.954 . 0 0 "[ . 1 . 2]" 1
945 1 38 LEU MD2 1 43 ILE HB . . 2.870 2.067 1.957 2.389 . 0 0 "[ . 1 . 2]" 1
946 1 38 LEU MD2 1 44 ALA H . . 5.500 5.353 5.108 5.489 . 0 0 "[ . 1 . 2]" 1
947 1 38 LEU MD2 1 45 THR HA . . 5.130 5.066 4.961 5.130 0.000 16 0 "[ . 1 . 2]" 1
948 1 38 LEU MD2 1 46 GLY H . . 4.360 4.330 4.240 4.400 0.040 18 0 "[ . 1 . 2]" 1
949 1 38 LEU MD2 1 46 GLY HA2 . . 3.970 1.950 1.882 2.086 . 0 0 "[ . 1 . 2]" 1
950 1 38 LEU MD2 1 46 GLY HA3 . . 4.140 3.362 3.226 3.564 . 0 0 "[ . 1 . 2]" 1
951 1 38 LEU HG 1 39 ASP H . . 4.960 4.669 4.570 4.744 . 0 0 "[ . 1 . 2]" 1
952 1 38 LEU HG 1 43 ILE MD . . 4.100 3.009 2.700 3.376 . 0 0 "[ . 1 . 2]" 1
953 1 38 LEU HG 1 46 GLY HA2 . . 4.840 4.640 4.504 4.798 . 0 0 "[ . 1 . 2]" 1
954 1 38 LEU HG 1 76 ILE MD . . 3.880 3.342 2.973 3.651 . 0 0 "[ . 1 . 2]" 1
955 1 39 ASP H 1 39 ASP QB . . 2.890 2.225 2.152 2.274 . 0 0 "[ . 1 . 2]" 1
956 1 39 ASP H 1 40 ALA H . . 3.190 2.648 2.484 2.815 . 0 0 "[ . 1 . 2]" 1
957 1 39 ASP H 1 40 ALA MB . . 4.480 4.244 4.057 4.472 . 0 0 "[ . 1 . 2]" 1
958 1 39 ASP H 1 41 LEU H . . 4.660 4.419 4.184 4.610 . 0 0 "[ . 1 . 2]" 1
959 1 39 ASP HA 1 42 VAL H . . 3.800 3.499 3.285 3.672 . 0 0 "[ . 1 . 2]" 1
960 1 39 ASP HA 1 42 VAL HA . . 4.190 3.214 2.985 3.404 . 0 0 "[ . 1 . 2]" 1
961 1 39 ASP HA 1 42 VAL QG . . 4.700 3.691 3.237 3.940 . 0 0 "[ . 1 . 2]" 1
962 1 39 ASP HA 1 43 ILE H . . 4.680 4.470 4.264 4.675 . 0 0 "[ . 1 . 2]" 1
963 1 39 ASP QB 1 40 ALA H . . 2.970 2.475 2.246 2.737 . 0 0 "[ . 1 . 2]" 1
964 1 39 ASP QB 1 40 ALA HA . . 4.200 3.912 3.768 4.079 . 0 0 "[ . 1 . 2]" 1
965 1 39 ASP QB 1 40 ALA MB . . 3.960 3.775 3.631 3.962 0.002 5 0 "[ . 1 . 2]" 1
966 1 39 ASP QB 1 41 LEU H . . 5.150 4.935 4.801 5.113 . 0 0 "[ . 1 . 2]" 1
967 1 39 ASP QB 1 42 VAL H . . 4.830 4.731 4.554 4.828 . 0 0 "[ . 1 . 2]" 1
968 1 39 ASP QB 1 42 VAL QG . . 5.440 4.658 4.253 4.802 . 0 0 "[ . 1 . 2]" 1
969 1 40 ALA H 1 40 ALA MB . . 2.750 2.122 2.026 2.231 . 0 0 "[ . 1 . 2]" 1
970 1 40 ALA H 1 41 LEU QB . . 4.830 4.710 4.599 4.825 . 0 0 "[ . 1 . 2]" 1
971 1 40 ALA H 1 42 VAL H . . 4.200 3.725 3.600 3.799 . 0 0 "[ . 1 . 2]" 1
972 1 40 ALA HA 1 42 VAL H . . 4.140 3.803 3.610 4.059 . 0 0 "[ . 1 . 2]" 1
973 1 40 ALA MB 1 41 LEU H . . 3.180 2.298 2.084 2.598 . 0 0 "[ . 1 . 2]" 1
974 1 40 ALA MB 1 41 LEU HA . . 4.150 3.755 3.676 3.848 . 0 0 "[ . 1 . 2]" 1
975 1 40 ALA MB 1 41 LEU QB . . 3.990 3.823 3.673 3.979 . 0 0 "[ . 1 . 2]" 1
976 1 40 ALA MB 1 42 VAL H . . 4.140 4.000 3.912 4.120 . 0 0 "[ . 1 . 2]" 1
977 1 41 LEU H 1 41 LEU QB . . 3.020 2.196 2.141 2.304 . 0 0 "[ . 1 . 2]" 1
978 1 41 LEU H 1 41 LEU MD1 . . 4.780 3.581 3.316 3.757 . 0 0 "[ . 1 . 2]" 1
979 1 41 LEU H 1 41 LEU QD . . 3.580 3.346 3.170 3.430 . 0 0 "[ . 1 . 2]" 1
980 1 41 LEU H 1 41 LEU MD2 . . 4.780 4.040 3.908 4.200 . 0 0 "[ . 1 . 2]" 1
981 1 41 LEU H 1 41 LEU HG . . 3.360 2.958 2.752 3.114 . 0 0 "[ . 1 . 2]" 1
982 1 41 LEU H 1 42 VAL H . . 2.800 2.587 2.441 2.676 . 0 0 "[ . 1 . 2]" 1
983 1 41 LEU H 1 42 VAL HA . . 5.050 4.762 4.547 4.887 . 0 0 "[ . 1 . 2]" 1
984 1 41 LEU H 1 42 VAL QG . . 4.690 4.116 3.952 4.295 . 0 0 "[ . 1 . 2]" 1
985 1 41 LEU HA 1 41 LEU MD1 . . 4.270 3.832 3.804 3.872 . 0 0 "[ . 1 . 2]" 1
986 1 41 LEU HA 1 41 LEU QD . . 2.770 2.263 1.983 2.527 . 0 0 "[ . 1 . 2]" 1
987 1 41 LEU HA 1 41 LEU MD2 . . 4.270 2.282 1.990 2.562 . 0 0 "[ . 1 . 2]" 1
988 1 41 LEU HA 1 41 LEU HG . . 3.580 2.676 2.537 2.790 . 0 0 "[ . 1 . 2]" 1
989 1 41 LEU HA 1 42 VAL H . . 3.430 3.282 3.168 3.431 0.001 14 0 "[ . 1 . 2]" 1
990 1 41 LEU HA 1 42 VAL QG . . 3.910 3.432 3.019 3.798 . 0 0 "[ . 1 . 2]" 1
991 1 41 LEU QB 1 42 VAL H . . 3.560 3.321 3.022 3.509 . 0 0 "[ . 1 . 2]" 1
992 1 41 LEU QB 1 42 VAL HA . . 5.390 4.745 4.610 4.838 . 0 0 "[ . 1 . 2]" 1
993 1 41 LEU QB 1 42 VAL QG . . 4.690 4.113 3.674 4.461 . 0 0 "[ . 1 . 2]" 1
994 1 41 LEU QB 1 43 ILE MD . . 3.320 2.835 2.547 3.130 . 0 0 "[ . 1 . 2]" 1
995 1 41 LEU QB 1 43 ILE HG12 . . 3.800 2.888 2.691 3.236 . 0 0 "[ . 1 . 2]" 1
996 1 41 LEU QB 1 43 ILE QG . . 3.320 2.188 2.046 2.421 . 0 0 "[ . 1 . 2]" 1
997 1 41 LEU QB 1 43 ILE HG13 . . 3.800 2.272 2.103 2.636 . 0 0 "[ . 1 . 2]" 1
998 1 41 LEU QD 1 42 VAL H . . 4.940 4.457 4.306 4.562 . 0 0 "[ . 1 . 2]" 1
999 1 41 LEU QD 1 75 MET HA . . 5.440 5.356 5.228 5.443 0.003 16 0 "[ . 1 . 2]" 1
1000 1 41 LEU QD 1 76 ILE H . . 4.570 4.288 4.075 4.436 . 0 0 "[ . 1 . 2]" 1
1001 1 41 LEU QD 1 76 ILE HB . . 3.830 3.221 2.835 3.556 . 0 0 "[ . 1 . 2]" 1
1002 1 41 LEU HG 1 42 VAL H . . 5.170 4.940 4.829 5.005 . 0 0 "[ . 1 . 2]" 1
1003 1 42 VAL H 1 42 VAL HA . . 2.660 2.293 2.276 2.313 . 0 0 "[ . 1 . 2]" 1
1004 1 42 VAL H 1 42 VAL HB . . 4.030 3.726 3.451 3.984 . 0 0 "[ . 1 . 2]" 1
1005 1 42 VAL H 1 42 VAL MG1 . . 4.050 3.494 2.372 3.982 . 0 0 "[ . 1 . 2]" 1
1006 1 42 VAL H 1 42 VAL QG . . 2.870 2.365 2.139 2.546 . 0 0 "[ . 1 . 2]" 1
1007 1 42 VAL H 1 42 VAL MG2 . . 4.050 2.587 2.150 3.149 . 0 0 "[ . 1 . 2]" 1
1008 1 42 VAL H 1 43 ILE H . . 3.210 2.943 2.744 3.057 . 0 0 "[ . 1 . 2]" 1
1009 1 42 VAL H 1 43 ILE HB . . 5.500 5.387 5.110 5.500 . 0 0 "[ . 1 . 2]" 1
1010 1 42 VAL H 1 43 ILE MD . . 5.390 5.118 4.690 5.388 . 0 0 "[ . 1 . 2]" 1
1011 1 42 VAL H 1 43 ILE QG . . 4.480 3.967 3.753 4.176 . 0 0 "[ . 1 . 2]" 1
1012 1 42 VAL HA 1 42 VAL MG1 . . 3.240 2.280 2.184 2.379 . 0 0 "[ . 1 . 2]" 1
1013 1 42 VAL HA 1 42 VAL QG . . 2.830 2.143 2.052 2.318 . 0 0 "[ . 1 . 2]" 1
1014 1 42 VAL HA 1 42 VAL MG2 . . 3.240 2.699 2.339 3.204 . 0 0 "[ . 1 . 2]" 1
1015 1 42 VAL HA 1 43 ILE H . . 2.980 2.721 2.625 2.810 . 0 0 "[ . 1 . 2]" 1
1016 1 42 VAL HA 1 43 ILE HA . . 4.890 4.698 4.611 4.784 . 0 0 "[ . 1 . 2]" 1
1017 1 42 VAL HA 1 43 ILE HB . . 5.230 4.969 4.856 5.097 . 0 0 "[ . 1 . 2]" 1
1018 1 42 VAL HB 1 43 ILE H . . 4.580 4.327 4.248 4.447 . 0 0 "[ . 1 . 2]" 1
1019 1 42 VAL QG 1 43 ILE H . . 3.730 3.659 3.534 3.732 0.002 4 0 "[ . 1 . 2]" 1
1020 1 42 VAL QG 1 43 ILE HA . . 4.550 4.183 3.790 4.412 . 0 0 "[ . 1 . 2]" 1
1021 1 42 VAL MG1 1 43 ILE H . . 4.410 4.124 3.912 4.362 . 0 0 "[ . 1 . 2]" 1
1022 1 42 VAL MG2 1 43 ILE H . . 4.410 4.153 3.740 4.357 . 0 0 "[ . 1 . 2]" 1
1023 1 43 ILE H 1 43 ILE HB . . 2.980 2.559 2.487 2.637 . 0 0 "[ . 1 . 2]" 1
1024 1 43 ILE H 1 43 ILE MD . . 4.140 3.477 3.334 3.601 . 0 0 "[ . 1 . 2]" 1
1025 1 43 ILE H 1 43 ILE HG12 . . 3.740 3.390 3.165 3.669 . 0 0 "[ . 1 . 2]" 1
1026 1 43 ILE H 1 43 ILE QG . . 3.220 2.044 1.901 2.222 . 0 0 "[ . 1 . 2]" 1
1027 1 43 ILE H 1 43 ILE HG13 . . 3.740 2.061 1.912 2.241 . 0 0 "[ . 1 . 2]" 1
1028 1 43 ILE H 1 43 ILE MG . . 3.780 3.765 3.758 3.772 . 0 0 "[ . 1 . 2]" 1
1029 1 43 ILE H 1 44 ALA H . . 4.810 4.605 4.526 4.641 . 0 0 "[ . 1 . 2]" 1
1030 1 43 ILE HA 1 43 ILE MD . . 3.970 3.852 3.809 3.918 . 0 0 "[ . 1 . 2]" 1
1031 1 43 ILE HA 1 43 ILE HG12 . . 3.630 2.592 2.498 2.735 . 0 0 "[ . 1 . 2]" 1
1032 1 43 ILE HA 1 43 ILE HG13 . . 3.630 2.958 2.822 3.129 . 0 0 "[ . 1 . 2]" 1
1033 1 43 ILE HA 1 43 ILE MG . . 3.080 2.421 2.326 2.460 . 0 0 "[ . 1 . 2]" 1
1034 1 43 ILE HA 1 44 ALA H . . 2.800 2.217 2.146 2.343 . 0 0 "[ . 1 . 2]" 1
1035 1 43 ILE HA 1 45 THR H . . 4.770 4.523 4.139 4.768 . 0 0 "[ . 1 . 2]" 1
1036 1 43 ILE HB 1 43 ILE MD . . 3.450 2.360 2.241 2.475 . 0 0 "[ . 1 . 2]" 1
1037 1 43 ILE HB 1 44 ALA H . . 4.260 3.975 3.714 4.217 . 0 0 "[ . 1 . 2]" 1
1038 1 43 ILE HB 1 45 THR H . . 4.530 4.372 4.121 4.525 . 0 0 "[ . 1 . 2]" 1
1039 1 43 ILE MD 1 44 ALA H . . 5.500 4.913 4.558 5.195 . 0 0 "[ . 1 . 2]" 1
1040 1 43 ILE QG 1 44 ALA H . . 5.180 4.024 3.851 4.234 . 0 0 "[ . 1 . 2]" 1
1041 1 43 ILE HG12 1 43 ILE MG . . 3.650 2.272 2.138 2.432 . 0 0 "[ . 1 . 2]" 1
1042 1 43 ILE HG13 1 43 ILE MG . . 3.650 3.190 3.166 3.202 . 0 0 "[ . 1 . 2]" 1
1043 1 43 ILE MG 1 44 ALA H . . 3.350 2.180 1.833 2.494 . 0 0 "[ . 1 . 2]" 1
1044 1 43 ILE MG 1 44 ALA HA . . 4.170 3.947 3.805 4.151 . 0 0 "[ . 1 . 2]" 1
1045 1 43 ILE MG 1 45 THR H . . 2.950 2.123 1.876 2.392 . 0 0 "[ . 1 . 2]" 1
1046 1 43 ILE MG 1 45 THR HA . . 4.390 4.165 4.007 4.382 . 0 0 "[ . 1 . 2]" 1
1047 1 43 ILE MG 1 45 THR MG . . 3.300 2.469 1.937 2.978 . 0 0 "[ . 1 . 2]" 1
1048 1 43 ILE MG 1 46 GLY H . . 5.500 4.792 4.577 4.967 . 0 0 "[ . 1 . 2]" 1
1049 1 43 ILE MG 1 78 GLU HA . . 4.890 4.560 4.129 4.849 . 0 0 "[ . 1 . 2]" 1
1050 1 43 ILE MG 1 78 GLU HB3 . . 5.500 4.527 3.855 5.171 . 0 0 "[ . 1 . 2]" 1
1051 1 43 ILE MG 1 78 GLU HG2 . . 3.990 2.904 2.210 3.475 . 0 0 "[ . 1 . 2]" 1
1052 1 43 ILE MG 1 78 GLU QG . . 3.240 2.693 2.174 3.131 . 0 0 "[ . 1 . 2]" 1
1053 1 43 ILE MG 1 78 GLU HG3 . . 3.990 3.400 2.480 3.990 0.000 10 0 "[ . 1 . 2]" 1
1054 1 44 ALA H 1 44 ALA MB . . 2.910 2.151 2.038 2.242 . 0 0 "[ . 1 . 2]" 1
1055 1 44 ALA H 1 45 THR H . . 3.390 2.887 2.619 3.099 . 0 0 "[ . 1 . 2]" 1
1056 1 44 ALA H 1 45 THR MG . . 4.990 4.200 3.869 4.537 . 0 0 "[ . 1 . 2]" 1
1057 1 44 ALA HA 1 45 THR MG . . 5.360 5.157 5.048 5.279 . 0 0 "[ . 1 . 2]" 1
1058 1 44 ALA MB 1 45 THR H . . 3.110 2.248 2.014 2.430 . 0 0 "[ . 1 . 2]" 1
1059 1 44 ALA MB 1 45 THR HA . . 4.480 3.865 3.768 3.942 . 0 0 "[ . 1 . 2]" 1
1060 1 44 ALA MB 1 45 THR MG . . 3.630 3.393 3.070 3.611 . 0 0 "[ . 1 . 2]" 1
1061 1 45 THR H 1 45 THR HB . . 3.280 2.807 2.661 2.890 . 0 0 "[ . 1 . 2]" 1
1062 1 45 THR H 1 45 THR MG . . 3.150 2.044 1.879 2.305 . 0 0 "[ . 1 . 2]" 1
1063 1 45 THR H 1 46 GLY H . . 4.690 4.555 4.496 4.606 . 0 0 "[ . 1 . 2]" 1
1064 1 45 THR H 1 48 VAL MG1 . . 5.370 4.749 4.348 5.021 . 0 0 "[ . 1 . 2]" 1
1065 1 45 THR HA 1 45 THR HB . . 2.840 2.468 2.430 2.501 . 0 0 "[ . 1 . 2]" 1
1066 1 45 THR HA 1 45 THR MG . . 3.280 3.200 3.188 3.208 . 0 0 "[ . 1 . 2]" 1
1067 1 45 THR HA 1 46 GLY H . . 2.890 2.417 2.275 2.595 . 0 0 "[ . 1 . 2]" 1
1068 1 45 THR HA 1 47 LEU H . . 4.980 4.359 4.097 4.649 . 0 0 "[ . 1 . 2]" 1
1069 1 45 THR HB 1 46 GLY H . . 3.920 3.786 3.576 3.923 0.003 12 0 "[ . 1 . 2]" 1
1070 1 45 THR HB 1 47 LEU H . . 5.070 4.693 4.301 5.006 . 0 0 "[ . 1 . 2]" 1
1071 1 45 THR MG 1 46 GLY H . . 3.960 3.353 2.974 3.725 . 0 0 "[ . 1 . 2]" 1
1072 1 45 THR MG 1 46 GLY HA3 . . 5.160 4.637 4.375 4.926 . 0 0 "[ . 1 . 2]" 1
1073 1 45 THR MG 1 47 LEU H . . 4.280 3.240 2.598 3.796 . 0 0 "[ . 1 . 2]" 1
1074 1 45 THR MG 1 48 VAL MG1 . . 3.240 2.822 2.548 2.987 . 0 0 "[ . 1 . 2]" 1
1075 1 45 THR MG 1 78 GLU HA . . 4.430 3.914 3.501 4.159 . 0 0 "[ . 1 . 2]" 1
1076 1 45 THR MG 1 78 GLU HB3 . . 4.370 3.161 2.490 3.698 . 0 0 "[ . 1 . 2]" 1
1077 1 45 THR MG 1 78 GLU QG . . 3.990 2.932 2.098 3.334 . 0 0 "[ . 1 . 2]" 1
1078 1 46 GLY H 1 47 LEU H . . 3.830 2.273 2.022 2.436 . 0 0 "[ . 1 . 2]" 1
1079 1 46 GLY H 1 47 LEU HB3 . . 4.860 4.737 4.543 4.852 . 0 0 "[ . 1 . 2]" 1
1080 1 46 GLY HA2 1 48 VAL MG1 . . 4.690 3.551 3.278 4.056 . 0 0 "[ . 1 . 2]" 1
1081 1 46 GLY HA2 1 48 VAL MG2 . . 4.900 3.893 3.649 4.061 . 0 0 "[ . 1 . 2]" 1
1082 1 46 GLY HA3 1 48 VAL MG2 . . 4.940 4.769 4.596 4.940 . 0 0 "[ . 1 . 2]" 1
1083 1 47 LEU H 1 47 LEU HB2 . . 3.370 2.274 2.157 2.356 . 0 0 "[ . 1 . 2]" 1
1084 1 47 LEU H 1 47 LEU HB3 . . 3.400 2.774 2.666 2.931 . 0 0 "[ . 1 . 2]" 1
1085 1 47 LEU H 1 47 LEU MD1 . . 4.450 4.202 4.122 4.282 . 0 0 "[ . 1 . 2]" 1
1086 1 47 LEU H 1 47 LEU QD . . 3.910 3.488 3.294 3.591 . 0 0 "[ . 1 . 2]" 1
1087 1 47 LEU H 1 47 LEU MD2 . . 4.450 3.733 3.435 3.951 . 0 0 "[ . 1 . 2]" 1
1088 1 47 LEU H 1 47 LEU HG . . 4.820 4.579 4.524 4.618 . 0 0 "[ . 1 . 2]" 1
1089 1 47 LEU H 1 48 VAL MG1 . . 4.300 3.995 3.703 4.175 . 0 0 "[ . 1 . 2]" 1
1090 1 47 LEU HA 1 47 LEU MD1 . . 3.690 2.555 2.277 2.768 . 0 0 "[ . 1 . 2]" 1
1091 1 47 LEU HA 1 47 LEU QD . . 2.910 2.009 1.918 2.085 . 0 0 "[ . 1 . 2]" 1
1092 1 47 LEU HA 1 47 LEU MD2 . . 3.690 2.123 1.973 2.307 . 0 0 "[ . 1 . 2]" 1
1093 1 47 LEU HA 1 47 LEU HG . . 4.100 3.734 3.664 3.783 . 0 0 "[ . 1 . 2]" 1
1094 1 47 LEU HA 1 48 VAL H . . 2.500 2.181 2.143 2.214 . 0 0 "[ . 1 . 2]" 1
1095 1 47 LEU HA 1 48 VAL HA . . 4.870 4.370 4.361 4.381 . 0 0 "[ . 1 . 2]" 1
1096 1 47 LEU HA 1 48 VAL MG1 . . 4.470 3.998 3.800 4.264 . 0 0 "[ . 1 . 2]" 1
1097 1 47 LEU HA 1 48 VAL MG2 . . 4.050 3.863 3.652 4.050 . 11 0 "[ . 1 . 2]" 1
1098 1 47 LEU HB2 1 48 VAL H . . 4.590 4.546 4.437 4.594 0.004 12 0 "[ . 1 . 2]" 1
1099 1 47 LEU HB3 1 48 VAL H . . 4.420 4.286 4.193 4.371 . 0 0 "[ . 1 . 2]" 1
1100 1 47 LEU HB3 1 79 LYS H . . 4.670 3.806 3.413 4.151 . 0 0 "[ . 1 . 2]" 1
1101 1 47 LEU HB3 1 79 LYS HB2 . . 4.960 2.622 2.007 3.135 . 0 0 "[ . 1 . 2]" 1
1102 1 47 LEU HB3 1 79 LYS QB . . 4.110 2.581 1.992 3.082 . 0 0 "[ . 1 . 2]" 1
1103 1 47 LEU HB3 1 79 LYS HB3 . . 4.960 3.900 3.341 4.547 . 0 0 "[ . 1 . 2]" 1
1104 1 47 LEU QD 1 48 VAL H . . 3.350 2.607 2.290 2.881 . 0 0 "[ . 1 . 2]" 1
1105 1 47 LEU QD 1 79 LYS QE . . 3.720 2.995 1.980 3.720 . 0 0 "[ . 1 . 2]" 1
1106 1 47 LEU MD1 1 48 VAL H . . 3.850 2.707 2.339 3.102 . 0 0 "[ . 1 . 2]" 1
1107 1 47 LEU MD1 1 79 LYS QE . . 4.460 3.218 1.982 3.981 . 0 0 "[ . 1 . 2]" 1
1108 1 47 LEU MD2 1 48 VAL H . . 3.850 3.499 3.166 3.848 . 0 0 "[ . 1 . 2]" 1
1109 1 47 LEU MD2 1 79 LYS QE . . 4.460 3.787 3.011 4.465 0.005 16 0 "[ . 1 . 2]" 1
1110 1 47 LEU HG 1 48 VAL H . . 5.300 5.173 4.911 5.299 . 0 0 "[ . 1 . 2]" 1
1111 1 47 LEU HG 1 79 LYS QB . . 5.340 2.981 2.387 3.746 . 0 0 "[ . 1 . 2]" 1
1112 1 48 VAL H 1 48 VAL HB . . 4.120 3.898 3.779 3.958 . 0 0 "[ . 1 . 2]" 1
1113 1 48 VAL H 1 48 VAL MG1 . . 3.630 3.129 2.963 3.339 . 0 0 "[ . 1 . 2]" 1
1114 1 48 VAL H 1 48 VAL MG2 . . 2.630 2.238 2.068 2.510 . 0 0 "[ . 1 . 2]" 1
1115 1 48 VAL H 1 49 THR H . . 4.460 4.408 4.370 4.439 . 0 0 "[ . 1 . 2]" 1
1116 1 48 VAL HA 1 48 VAL MG1 . . 2.920 2.302 2.181 2.441 . 0 0 "[ . 1 . 2]" 1
1117 1 48 VAL HA 1 48 VAL MG2 . . 3.630 3.194 3.170 3.203 . 0 0 "[ . 1 . 2]" 1
1118 1 48 VAL HA 1 49 THR H . . 2.810 2.424 2.321 2.591 . 0 0 "[ . 1 . 2]" 1
1119 1 48 VAL HA 1 49 THR HA . . 4.590 4.452 4.410 4.555 . 0 0 "[ . 1 . 2]" 1
1120 1 48 VAL HA 1 49 THR HB . . 4.580 4.551 4.494 4.581 0.001 20 0 "[ . 1 . 2]" 1
1121 1 48 VAL HA 1 76 ILE HG13 . . 4.940 4.482 4.226 4.658 . 0 0 "[ . 1 . 2]" 1
1122 1 48 VAL HA 1 77 LEU H . . 4.880 4.654 4.373 4.820 . 0 0 "[ . 1 . 2]" 1
1123 1 48 VAL HA 1 77 LEU HB2 . . 5.500 5.072 4.870 5.423 . 0 0 "[ . 1 . 2]" 1
1124 1 48 VAL HA 1 78 GLU HA . . 3.520 2.603 2.341 3.089 . 0 0 "[ . 1 . 2]" 1
1125 1 48 VAL HA 1 79 LYS H . . 4.080 3.898 3.684 4.078 . 0 0 "[ . 1 . 2]" 1
1126 1 48 VAL HB 1 49 THR H . . 2.920 2.344 2.023 2.582 . 0 0 "[ . 1 . 2]" 1
1127 1 48 VAL HB 1 49 THR HA . . 4.630 4.426 4.201 4.521 . 0 0 "[ . 1 . 2]" 1
1128 1 48 VAL HB 1 76 ILE HA . . 4.480 4.323 4.136 4.440 . 0 0 "[ . 1 . 2]" 1
1129 1 48 VAL HB 1 76 ILE MD . . 3.300 2.610 2.054 3.226 . 0 0 "[ . 1 . 2]" 1
1130 1 48 VAL HB 1 76 ILE HG12 . . 3.950 3.229 3.008 3.457 . 0 0 "[ . 1 . 2]" 1
1131 1 48 VAL HB 1 76 ILE HG13 . . 3.720 2.306 2.201 2.426 . 0 0 "[ . 1 . 2]" 1
1132 1 48 VAL HB 1 76 ILE MG . . 4.370 4.323 4.049 4.373 0.003 17 0 "[ . 1 . 2]" 1
1133 1 48 VAL HB 1 77 LEU H . . 4.760 3.518 3.185 3.887 . 0 0 "[ . 1 . 2]" 1
1134 1 48 VAL HB 1 78 GLU HA . . 4.810 3.637 3.295 3.996 . 0 0 "[ . 1 . 2]" 1
1135 1 48 VAL MG1 1 49 THR H . . 3.720 3.624 3.279 3.715 . 0 0 "[ . 1 . 2]" 1
1136 1 48 VAL MG1 1 76 ILE HG13 . . 3.830 3.186 2.832 3.423 . 0 0 "[ . 1 . 2]" 1
1137 1 48 VAL MG1 1 78 GLU HA . . 3.180 2.249 1.986 2.514 . 0 0 "[ . 1 . 2]" 1
1138 1 48 VAL MG1 1 78 GLU HB2 . . 4.760 4.489 4.203 4.760 0.000 19 0 "[ . 1 . 2]" 1
1139 1 48 VAL MG1 1 78 GLU HB3 . . 4.340 3.727 3.289 4.212 . 0 0 "[ . 1 . 2]" 1
1140 1 48 VAL MG1 1 78 GLU HG2 . . 3.890 3.091 2.356 3.890 . 0 0 "[ . 1 . 2]" 1
1141 1 48 VAL MG1 1 78 GLU QG . . 3.340 2.477 1.999 2.937 . 0 0 "[ . 1 . 2]" 1
1142 1 48 VAL MG1 1 78 GLU HG3 . . 3.890 2.879 2.013 3.519 . 0 0 "[ . 1 . 2]" 1
1143 1 48 VAL MG1 1 79 LYS H . . 4.000 3.737 3.247 4.002 0.002 10 0 "[ . 1 . 2]" 1
1144 1 48 VAL MG2 1 49 THR H . . 4.670 3.399 3.066 3.633 . 0 0 "[ . 1 . 2]" 1
1145 1 48 VAL MG2 1 49 THR HA . . 4.190 3.809 3.520 4.162 . 0 0 "[ . 1 . 2]" 1
1146 1 48 VAL MG2 1 76 ILE HG12 . . 3.610 3.340 2.998 3.602 . 0 0 "[ . 1 . 2]" 1
1147 1 48 VAL MG2 1 76 ILE HG13 . . 3.960 3.284 3.007 3.536 . 0 0 "[ . 1 . 2]" 1
1148 1 49 THR H 1 49 THR HB . . 3.310 2.702 2.600 2.903 . 0 0 "[ . 1 . 2]" 1
1149 1 49 THR H 1 49 THR MG . . 3.990 3.868 3.831 3.941 . 0 0 "[ . 1 . 2]" 1
1150 1 49 THR H 1 50 LEU H . . 4.400 4.284 4.134 4.403 0.003 18 0 "[ . 1 . 2]" 1
1151 1 49 THR H 1 76 ILE HA . . 4.890 4.245 3.987 4.511 . 0 0 "[ . 1 . 2]" 1
1152 1 49 THR H 1 76 ILE MD . . 4.700 3.645 3.056 4.104 . 0 0 "[ . 1 . 2]" 1
1153 1 49 THR H 1 76 ILE HG12 . . 5.320 4.974 4.638 5.302 . 0 0 "[ . 1 . 2]" 1
1154 1 49 THR H 1 76 ILE HG13 . . 3.860 3.400 3.089 3.708 . 0 0 "[ . 1 . 2]" 1
1155 1 49 THR H 1 77 LEU H . . 3.430 2.674 2.462 2.892 . 0 0 "[ . 1 . 2]" 1
1156 1 49 THR H 1 77 LEU HB2 . . 4.590 3.413 3.188 3.646 . 0 0 "[ . 1 . 2]" 1
1157 1 49 THR H 1 77 LEU HB3 . . 5.000 4.739 4.520 4.948 . 0 0 "[ . 1 . 2]" 1
1158 1 49 THR H 1 78 GLU HA . . 4.190 3.904 3.649 4.184 . 0 0 "[ . 1 . 2]" 1
1159 1 49 THR HA 1 49 THR MG . . 3.030 2.419 2.318 2.472 . 0 0 "[ . 1 . 2]" 1
1160 1 49 THR HA 1 50 LEU H . . 2.730 2.154 2.141 2.200 . 0 0 "[ . 1 . 2]" 1
1161 1 49 THR HA 1 50 LEU QB . . 4.770 4.021 3.967 4.057 . 0 0 "[ . 1 . 2]" 1
1162 1 49 THR HA 1 58 VAL QG . . 4.580 4.195 3.790 4.555 . 0 0 "[ . 1 . 2]" 1
1163 1 49 THR HA 1 76 ILE MD . . 4.620 4.362 3.878 4.621 0.001 18 0 "[ . 1 . 2]" 1
1164 1 49 THR HB 1 50 LEU H . . 4.360 4.218 4.042 4.311 . 0 0 "[ . 1 . 2]" 1
1165 1 49 THR HB 1 51 VAL MG1 . . 3.960 3.706 3.524 3.869 . 0 0 "[ . 1 . 2]" 1
1166 1 49 THR HB 1 77 LEU H . . 4.180 3.630 3.316 3.841 . 0 0 "[ . 1 . 2]" 1
1167 1 49 THR HB 1 77 LEU HB2 . . 3.330 2.583 2.350 2.757 . 0 0 "[ . 1 . 2]" 1
1168 1 49 THR HB 1 77 LEU HB3 . . 4.380 4.219 4.014 4.380 0.000 14 0 "[ . 1 . 2]" 1
1169 1 49 THR HB 1 77 LEU MD1 . . 3.720 3.503 3.167 3.711 . 0 0 "[ . 1 . 2]" 1
1170 1 49 THR HB 1 77 LEU HG . . 4.720 4.322 3.937 4.585 . 0 0 "[ . 1 . 2]" 1
1171 1 49 THR MG 1 50 LEU H . . 3.150 2.522 2.237 2.865 . 0 0 "[ . 1 . 2]" 1
1172 1 49 THR MG 1 50 LEU HA . . 4.550 3.841 3.630 3.937 . 0 0 "[ . 1 . 2]" 1
1173 1 49 THR MG 1 50 LEU QB . . 4.560 3.996 3.834 4.191 . 0 0 "[ . 1 . 2]" 1
1174 1 49 THR MG 1 51 VAL H . . 4.570 4.365 4.190 4.526 . 0 0 "[ . 1 . 2]" 1
1175 1 49 THR MG 1 51 VAL HA . . 4.790 4.398 4.334 4.438 . 0 0 "[ . 1 . 2]" 1
1176 1 49 THR MG 1 51 VAL MG1 . . 2.830 2.223 2.051 2.373 . 0 0 "[ . 1 . 2]" 1
1177 1 49 THR MG 1 51 VAL MG2 . . 4.400 4.039 3.773 4.350 . 0 0 "[ . 1 . 2]" 1
1178 1 49 THR MG 1 58 VAL HA . . 3.980 3.547 3.306 3.861 . 0 0 "[ . 1 . 2]" 1
1179 1 49 THR MG 1 58 VAL MG1 . . 3.720 2.887 2.206 3.721 0.001 19 0 "[ . 1 . 2]" 1
1180 1 49 THR MG 1 58 VAL QG . . 2.820 2.048 1.742 2.374 . 0 0 "[ . 1 . 2]" 1
1181 1 49 THR MG 1 58 VAL MG2 . . 3.720 2.215 1.747 2.682 . 0 0 "[ . 1 . 2]" 1
1182 1 49 THR MG 1 59 VAL H . . 4.470 4.363 4.151 4.473 0.003 13 0 "[ . 1 . 2]" 1
1183 1 49 THR MG 1 77 LEU HB2 . . 4.090 3.816 3.510 3.984 . 0 0 "[ . 1 . 2]" 1
1184 1 49 THR MG 1 77 LEU MD1 . . 3.760 3.409 3.109 3.688 . 0 0 "[ . 1 . 2]" 1
1185 1 49 THR MG 1 77 LEU HG . . 4.780 4.551 4.202 4.780 0.000 19 0 "[ . 1 . 2]" 1
1186 1 50 LEU H 1 50 LEU HB2 . . 3.260 2.533 2.432 2.656 . 0 0 "[ . 1 . 2]" 1
1187 1 50 LEU H 1 50 LEU HB3 . . 3.260 2.701 2.651 2.806 . 0 0 "[ . 1 . 2]" 1
1188 1 50 LEU H 1 50 LEU MD1 . . 4.490 4.005 3.874 4.108 . 0 0 "[ . 1 . 2]" 1
1189 1 50 LEU H 1 50 LEU QD . . 3.880 3.694 3.608 3.777 . 0 0 "[ . 1 . 2]" 1
1190 1 50 LEU H 1 50 LEU MD2 . . 4.490 4.334 4.273 4.406 . 0 0 "[ . 1 . 2]" 1
1191 1 50 LEU H 1 50 LEU HG . . 4.680 4.561 4.533 4.604 . 0 0 "[ . 1 . 2]" 1
1192 1 50 LEU H 1 51 VAL H . . 4.620 4.500 4.434 4.567 . 0 0 "[ . 1 . 2]" 1
1193 1 50 LEU H 1 51 VAL MG1 . . 4.290 3.925 3.757 4.022 . 0 0 "[ . 1 . 2]" 1
1194 1 50 LEU H 1 58 VAL QG . . 4.110 3.726 3.260 4.069 . 0 0 "[ . 1 . 2]" 1
1195 1 50 LEU H 1 59 VAL H . . 5.130 4.861 4.576 5.130 . 0 0 "[ . 1 . 2]" 1
1196 1 50 LEU H 1 76 ILE MD . . 4.640 3.997 3.740 4.231 . 0 0 "[ . 1 . 2]" 1
1197 1 50 LEU HA 1 50 LEU MD1 . . 4.620 2.155 1.990 2.424 . 0 0 "[ . 1 . 2]" 1
1198 1 50 LEU HA 1 50 LEU QD . . 3.100 2.143 1.984 2.400 . 0 0 "[ . 1 . 2]" 1
1199 1 50 LEU HA 1 50 LEU MD2 . . 4.620 3.859 3.837 3.874 . 0 0 "[ . 1 . 2]" 1
1200 1 50 LEU HA 1 50 LEU HG . . 3.870 2.773 2.655 2.966 . 0 0 "[ . 1 . 2]" 1
1201 1 50 LEU HA 1 51 VAL H . . 2.690 2.166 2.150 2.230 . 0 0 "[ . 1 . 2]" 1
1202 1 50 LEU HA 1 51 VAL MG1 . . 4.290 3.596 3.344 3.712 . 0 0 "[ . 1 . 2]" 1
1203 1 50 LEU HA 1 51 VAL MG2 . . 4.250 3.831 3.658 4.003 . 0 0 "[ . 1 . 2]" 1
1204 1 50 LEU HA 1 75 MET H . . 4.770 4.277 3.974 4.452 . 0 0 "[ . 1 . 2]" 1
1205 1 50 LEU HA 1 76 ILE MD . . 4.430 2.966 2.671 3.251 . 0 0 "[ . 1 . 2]" 1
1206 1 50 LEU QB 1 50 LEU QD . . 2.740 1.902 1.841 1.932 . 0 0 "[ . 1 . 2]" 1
1207 1 50 LEU QB 1 51 VAL H . . 3.820 3.658 3.503 3.712 . 0 0 "[ . 1 . 2]" 1
1208 1 50 LEU QB 1 76 ILE MD . . 4.680 3.055 2.745 3.417 . 0 0 "[ . 1 . 2]" 1
1209 1 50 LEU HB2 1 51 VAL H . . 4.360 4.313 4.164 4.360 . 0 0 "[ . 1 . 2]" 1
1210 1 50 LEU HB3 1 51 VAL H . . 4.360 3.954 3.769 4.036 . 0 0 "[ . 1 . 2]" 1
1211 1 50 LEU QD 1 51 VAL H . . 3.310 3.118 2.637 3.285 . 0 0 "[ . 1 . 2]" 1
1212 1 50 LEU QD 1 51 VAL HA . . 5.320 4.482 4.346 4.606 . 0 0 "[ . 1 . 2]" 1
1213 1 50 LEU QD 1 59 VAL H . . 5.020 4.409 4.170 4.658 . 0 0 "[ . 1 . 2]" 1
1214 1 50 LEU QD 1 59 VAL HB . . 3.680 3.206 2.984 3.507 . 0 0 "[ . 1 . 2]" 1
1215 1 50 LEU QD 1 59 VAL MG1 . . 4.030 3.702 3.023 4.034 0.004 11 0 "[ . 1 . 2]" 1
1216 1 50 LEU QD 1 59 VAL MG2 . . 4.240 3.886 3.546 4.142 . 0 0 "[ . 1 . 2]" 1
1217 1 50 LEU QD 1 74 PHE HA . . 5.440 4.241 3.994 4.604 . 0 0 "[ . 1 . 2]" 1
1218 1 50 LEU QD 1 74 PHE HB2 . . 3.640 2.970 2.608 3.328 . 0 0 "[ . 1 . 2]" 1
1219 1 50 LEU QD 1 74 PHE HB3 . . 3.380 2.295 1.970 2.764 . 0 0 "[ . 1 . 2]" 1
1220 1 50 LEU QD 1 74 PHE QD . . 3.760 3.144 2.698 3.441 . 0 0 "[ . 1 . 2]" 1
1221 1 50 LEU QD 1 74 PHE QE . . 4.620 3.737 3.242 4.032 . 0 0 "[ . 1 . 2]" 1
1222 1 50 LEU QD 1 75 MET H . . 4.160 3.441 3.061 3.833 . 0 0 "[ . 1 . 2]" 1
1223 1 50 LEU QD 1 76 ILE H . . 4.690 4.131 3.738 4.359 . 0 0 "[ . 1 . 2]" 1
1224 1 50 LEU QD 1 76 ILE HA . . 3.660 2.942 2.867 3.038 . 0 0 "[ . 1 . 2]" 1
1225 1 50 LEU QD 1 76 ILE HB . . 3.790 3.117 2.784 3.396 . 0 0 "[ . 1 . 2]" 1
1226 1 50 LEU QD 1 76 ILE MD . . 2.970 1.969 1.867 2.212 . 0 0 "[ . 1 . 2]" 1
1227 1 50 LEU QD 1 76 ILE HG12 . . 4.690 4.332 4.127 4.520 . 0 0 "[ . 1 . 2]" 1
1228 1 50 LEU QD 1 76 ILE HG13 . . 4.250 4.048 3.835 4.210 . 0 0 "[ . 1 . 2]" 1
1229 1 50 LEU QD 1 76 ILE MG . . 4.470 4.245 3.962 4.445 . 0 0 "[ . 1 . 2]" 1
1230 1 50 LEU QD 1 77 LEU H . . 4.490 4.479 4.421 4.492 0.002 8 0 "[ . 1 . 2]" 1
1231 1 50 LEU MD1 1 51 VAL H . . 4.640 3.203 2.656 3.444 . 0 0 "[ . 1 . 2]" 1
1232 1 50 LEU MD1 1 74 PHE QD . . 4.360 3.759 3.508 4.119 . 0 0 "[ . 1 . 2]" 1
1233 1 50 LEU MD1 1 76 ILE MD . . 4.460 1.974 1.870 2.219 . 0 0 "[ . 1 . 2]" 1
1234 1 50 LEU MD2 1 51 VAL H . . 4.640 4.331 4.043 4.469 . 0 0 "[ . 1 . 2]" 1
1235 1 50 LEU MD2 1 74 PHE QD . . 4.360 3.391 2.776 3.756 . 0 0 "[ . 1 . 2]" 1
1236 1 50 LEU MD2 1 76 ILE MD . . 4.460 4.000 3.699 4.267 . 0 0 "[ . 1 . 2]" 1
1237 1 50 LEU HG 1 51 VAL H . . 4.110 2.768 2.389 2.959 . 0 0 "[ . 1 . 2]" 1
1238 1 50 LEU HG 1 51 VAL HA . . 5.500 4.138 3.957 4.320 . 0 0 "[ . 1 . 2]" 1
1239 1 50 LEU HG 1 59 VAL HB . . 5.280 4.221 3.471 4.751 . 0 0 "[ . 1 . 2]" 1
1240 1 50 LEU HG 1 74 PHE HA . . 5.500 4.648 4.175 4.919 . 0 0 "[ . 1 . 2]" 1
1241 1 50 LEU HG 1 74 PHE HB2 . . 4.750 4.240 3.941 4.458 . 0 0 "[ . 1 . 2]" 1
1242 1 50 LEU HG 1 74 PHE HB3 . . 4.350 2.708 2.311 2.915 . 0 0 "[ . 1 . 2]" 1
1243 1 50 LEU HG 1 74 PHE QD . . 4.240 3.567 2.681 3.947 . 0 0 "[ . 1 . 2]" 1
1244 1 50 LEU HG 1 74 PHE QE . . 5.280 4.960 4.501 5.279 . 0 0 "[ . 1 . 2]" 1
1245 1 50 LEU HG 1 75 MET H . . 4.960 3.685 3.138 3.980 . 0 0 "[ . 1 . 2]" 1
1246 1 51 VAL H 1 51 VAL HB . . 4.120 3.914 3.892 3.982 . 0 0 "[ . 1 . 2]" 1
1247 1 51 VAL H 1 51 VAL MG1 . . 3.320 2.945 2.722 3.036 . 0 0 "[ . 1 . 2]" 1
1248 1 51 VAL H 1 51 VAL MG2 . . 2.940 2.277 2.141 2.483 . 0 0 "[ . 1 . 2]" 1
1249 1 51 VAL H 1 58 VAL HA . . 4.860 4.643 4.281 4.863 0.003 8 0 "[ . 1 . 2]" 1
1250 1 51 VAL H 1 58 VAL QG . . 5.440 4.936 4.691 5.067 . 0 0 "[ . 1 . 2]" 1
1251 1 51 VAL H 1 59 VAL H . . 5.230 4.644 4.442 4.786 . 0 0 "[ . 1 . 2]" 1
1252 1 51 VAL H 1 74 PHE HB2 . . 5.500 5.455 5.193 5.504 0.004 14 0 "[ . 1 . 2]" 1
1253 1 51 VAL H 1 74 PHE HB3 . . 4.280 3.784 3.590 3.847 . 0 0 "[ . 1 . 2]" 1
1254 1 51 VAL H 1 74 PHE QD . . 4.750 4.509 4.050 4.751 0.001 5 0 "[ . 1 . 2]" 1
1255 1 51 VAL H 1 75 MET H . . 3.510 2.696 2.470 2.827 . 0 0 "[ . 1 . 2]" 1
1256 1 51 VAL H 1 75 MET HB2 . . 5.210 5.134 4.775 5.215 0.005 16 0 "[ . 1 . 2]" 1
1257 1 51 VAL H 1 75 MET HB3 . . 4.280 3.656 3.272 3.759 . 0 0 "[ . 1 . 2]" 1
1258 1 51 VAL H 1 77 LEU HG . . 4.930 4.697 4.496 4.917 . 0 0 "[ . 1 . 2]" 1
1259 1 51 VAL HA 1 51 VAL MG1 . . 3.140 2.393 2.325 2.470 . 0 0 "[ . 1 . 2]" 1
1260 1 51 VAL HA 1 52 LEU H . . 3.090 2.485 2.337 2.548 . 0 0 "[ . 1 . 2]" 1
1261 1 51 VAL HA 1 52 LEU QD . . 4.570 4.226 3.860 4.575 0.005 14 0 "[ . 1 . 2]" 1
1262 1 51 VAL HA 1 52 LEU HG . . 5.210 3.932 3.622 4.284 . 0 0 "[ . 1 . 2]" 1
1263 1 51 VAL HA 1 58 VAL HA . . 3.320 2.320 2.003 2.667 . 0 0 "[ . 1 . 2]" 1
1264 1 51 VAL HA 1 58 VAL MG1 . . 4.820 4.464 4.075 4.821 0.001 1 0 "[ . 1 . 2]" 1
1265 1 51 VAL HA 1 58 VAL QG . . 4.040 3.708 3.579 3.880 . 0 0 "[ . 1 . 2]" 1
1266 1 51 VAL HA 1 58 VAL MG2 . . 4.820 4.009 3.696 4.308 . 0 0 "[ . 1 . 2]" 1
1267 1 51 VAL HA 1 59 VAL H . . 3.430 2.431 2.208 2.721 . 0 0 "[ . 1 . 2]" 1
1268 1 51 VAL HA 1 59 VAL HB . . 4.630 4.006 3.473 4.434 . 0 0 "[ . 1 . 2]" 1
1269 1 51 VAL HA 1 59 VAL MG2 . . 3.560 2.783 2.308 3.290 . 0 0 "[ . 1 . 2]" 1
1270 1 51 VAL HB 1 52 LEU H . . 3.090 2.265 2.120 2.600 . 0 0 "[ . 1 . 2]" 1
1271 1 51 VAL HB 1 56 GLY H . . 5.010 4.502 4.241 4.833 . 0 0 "[ . 1 . 2]" 1
1272 1 51 VAL HB 1 56 GLY HA2 . . 3.950 2.770 2.462 2.929 . 0 0 "[ . 1 . 2]" 1
1273 1 51 VAL HB 1 56 GLY QA . . 3.460 2.712 2.426 2.855 . 0 0 "[ . 1 . 2]" 1
1274 1 51 VAL HB 1 56 GLY HA3 . . 3.950 3.878 3.658 3.960 0.010 17 0 "[ . 1 . 2]" 1
1275 1 51 VAL HB 1 57 THR H . . 4.060 3.410 2.984 4.028 . 0 0 "[ . 1 . 2]" 1
1276 1 51 VAL HB 1 58 VAL HA . . 4.270 3.122 2.905 3.415 . 0 0 "[ . 1 . 2]" 1
1277 1 51 VAL HB 1 58 VAL QG . . 4.720 3.859 3.472 4.335 . 0 0 "[ . 1 . 2]" 1
1278 1 51 VAL HB 1 59 VAL H . . 4.690 4.441 4.156 4.693 0.003 14 0 "[ . 1 . 2]" 1
1279 1 51 VAL HB 1 83 TRP HD1 . . 5.480 4.579 4.193 4.892 . 0 0 "[ . 1 . 2]" 1
1280 1 51 VAL MG1 1 52 LEU H . . 3.950 3.738 3.619 3.914 . 0 0 "[ . 1 . 2]" 1
1281 1 51 VAL MG1 1 56 GLY HA2 . . 4.790 3.998 3.768 4.184 . 0 0 "[ . 1 . 2]" 1
1282 1 51 VAL MG1 1 56 GLY QA . . 3.980 3.751 3.530 3.927 . 0 0 "[ . 1 . 2]" 1
1283 1 51 VAL MG1 1 56 GLY HA3 . . 4.790 4.540 4.261 4.757 . 0 0 "[ . 1 . 2]" 1
1284 1 51 VAL MG1 1 58 VAL H . . 4.150 3.178 2.469 3.962 . 0 0 "[ . 1 . 2]" 1
1285 1 51 VAL MG1 1 58 VAL HA . . 2.990 1.952 1.826 2.187 . 0 0 "[ . 1 . 2]" 1
1286 1 51 VAL MG1 1 58 VAL QG . . 3.240 2.194 1.777 2.698 . 0 0 "[ . 1 . 2]" 1
1287 1 51 VAL MG1 1 59 VAL H . . 3.610 3.311 3.034 3.608 . 0 0 "[ . 1 . 2]" 1
1288 1 51 VAL MG1 1 77 LEU MD1 . . 2.990 2.462 2.151 2.760 . 0 0 "[ . 1 . 2]" 1
1289 1 51 VAL MG1 1 83 TRP QB . . 4.410 3.499 3.317 3.781 . 0 0 "[ . 1 . 2]" 1
1290 1 51 VAL MG2 1 52 LEU H . . 3.780 3.045 2.805 3.255 . 0 0 "[ . 1 . 2]" 1
1291 1 51 VAL MG2 1 53 GLU HA . . 4.030 3.840 3.657 4.008 . 0 0 "[ . 1 . 2]" 1
1292 1 51 VAL MG2 1 55 ASP H . . 5.500 5.367 5.097 5.503 0.003 15 0 "[ . 1 . 2]" 1
1293 1 51 VAL MG2 1 56 GLY H . . 4.030 3.940 3.724 4.034 0.004 10 0 "[ . 1 . 2]" 1
1294 1 51 VAL MG2 1 56 GLY HA2 . . 3.830 2.142 1.951 2.306 . 0 0 "[ . 1 . 2]" 1
1295 1 51 VAL MG2 1 56 GLY QA . . 3.300 2.117 1.928 2.264 . 0 0 "[ . 1 . 2]" 1
1296 1 51 VAL MG2 1 56 GLY HA3 . . 3.830 3.327 3.011 3.485 . 0 0 "[ . 1 . 2]" 1
1297 1 51 VAL MG2 1 57 THR H . . 4.850 4.101 3.645 4.471 . 0 0 "[ . 1 . 2]" 1
1298 1 51 VAL MG2 1 75 MET H . . 3.670 3.004 2.726 3.264 . 0 0 "[ . 1 . 2]" 1
1299 1 51 VAL MG2 1 75 MET HA . . 4.470 4.091 3.940 4.242 . 0 0 "[ . 1 . 2]" 1
1300 1 51 VAL MG2 1 75 MET HB2 . . 3.540 3.353 3.178 3.517 . 0 0 "[ . 1 . 2]" 1
1301 1 51 VAL MG2 1 75 MET HB3 . . 3.150 1.946 1.805 2.109 . 0 0 "[ . 1 . 2]" 1
1302 1 51 VAL MG2 1 75 MET ME . . 4.320 4.182 4.035 4.308 . 0 0 "[ . 1 . 2]" 1
1303 1 51 VAL MG2 1 75 MET HG2 . . 4.010 2.578 2.088 3.016 . 0 0 "[ . 1 . 2]" 1
1304 1 51 VAL MG2 1 75 MET HG3 . . 4.010 3.104 2.198 3.841 . 0 0 "[ . 1 . 2]" 1
1305 1 51 VAL MG2 1 77 LEU MD1 . . 3.300 2.543 2.247 2.955 . 0 0 "[ . 1 . 2]" 1
1306 1 51 VAL MG2 1 83 TRP HA . . 4.640 3.885 3.589 4.086 . 0 0 "[ . 1 . 2]" 1
1307 1 51 VAL MG2 1 83 TRP HB2 . . 4.000 2.156 1.977 2.343 . 0 0 "[ . 1 . 2]" 1
1308 1 51 VAL MG2 1 83 TRP QB . . 3.370 2.132 1.955 2.309 . 0 0 "[ . 1 . 2]" 1
1309 1 51 VAL MG2 1 83 TRP HB3 . . 4.000 3.379 3.078 3.586 . 0 0 "[ . 1 . 2]" 1
1310 1 51 VAL MG2 1 83 TRP HD1 . . 3.320 2.407 2.079 2.594 . 0 0 "[ . 1 . 2]" 1
1311 1 51 VAL MG2 1 83 TRP HE1 . . 4.370 4.199 3.967 4.372 0.002 8 0 "[ . 1 . 2]" 1
1312 1 52 LEU H 1 52 LEU QB . . 3.350 2.374 2.227 2.545 . 0 0 "[ . 1 . 2]" 1
1313 1 52 LEU H 1 52 LEU MD1 . . 3.870 3.670 3.546 3.855 . 0 0 "[ . 1 . 2]" 1
1314 1 52 LEU H 1 52 LEU QD . . 3.380 3.199 2.993 3.354 . 0 0 "[ . 1 . 2]" 1
1315 1 52 LEU H 1 52 LEU MD2 . . 3.870 3.543 3.119 3.790 . 0 0 "[ . 1 . 2]" 1
1316 1 52 LEU H 1 52 LEU HG . . 3.730 2.502 2.210 2.783 . 0 0 "[ . 1 . 2]" 1
1317 1 52 LEU H 1 53 GLU H . . 4.710 4.566 4.463 4.593 . 0 0 "[ . 1 . 2]" 1
1318 1 52 LEU H 1 55 ASP H . . 4.990 4.814 4.724 4.952 . 0 0 "[ . 1 . 2]" 1
1319 1 52 LEU H 1 56 GLY H . . 4.540 3.824 3.617 4.262 . 0 0 "[ . 1 . 2]" 1
1320 1 52 LEU H 1 56 GLY HA2 . . 4.910 3.275 2.929 3.556 . 0 0 "[ . 1 . 2]" 1
1321 1 52 LEU H 1 56 GLY QA . . 4.250 3.216 2.891 3.478 . 0 0 "[ . 1 . 2]" 1
1322 1 52 LEU H 1 56 GLY HA3 . . 4.910 4.714 4.445 4.915 0.005 8 0 "[ . 1 . 2]" 1
1323 1 52 LEU H 1 57 THR H . . 4.040 2.591 2.079 3.135 . 0 0 "[ . 1 . 2]" 1
1324 1 52 LEU H 1 57 THR HB . . 4.030 3.491 3.250 3.755 . 0 0 "[ . 1 . 2]" 1
1325 1 52 LEU H 1 57 THR MG . . 5.060 4.410 4.141 4.652 . 0 0 "[ . 1 . 2]" 1
1326 1 52 LEU H 1 58 VAL HA . . 5.050 4.016 3.731 4.327 . 0 0 "[ . 1 . 2]" 1
1327 1 52 LEU H 1 58 VAL QG . . 5.440 4.908 4.673 5.071 . 0 0 "[ . 1 . 2]" 1
1328 1 52 LEU H 1 59 VAL H . . 4.620 4.383 4.016 4.620 . 0 0 "[ . 1 . 2]" 1
1329 1 52 LEU H 1 59 VAL MG2 . . 3.660 3.224 2.802 3.505 . 0 0 "[ . 1 . 2]" 1
1330 1 52 LEU H 1 75 MET H . . 5.330 4.800 4.669 4.908 . 0 0 "[ . 1 . 2]" 1
1331 1 52 LEU HA 1 52 LEU MD1 . . 4.320 3.871 3.769 3.945 . 0 0 "[ . 1 . 2]" 1
1332 1 52 LEU HA 1 52 LEU QD . . 2.950 2.033 1.946 2.336 . 0 0 "[ . 1 . 2]" 1
1333 1 52 LEU HA 1 52 LEU MD2 . . 4.320 2.041 1.952 2.353 . 0 0 "[ . 1 . 2]" 1
1334 1 52 LEU HA 1 52 LEU HG . . 4.040 3.051 2.849 3.276 . 0 0 "[ . 1 . 2]" 1
1335 1 52 LEU HA 1 53 GLU H . . 3.090 2.183 2.142 2.225 . 0 0 "[ . 1 . 2]" 1
1336 1 52 LEU HA 1 53 GLU HA . . 5.040 4.352 4.343 4.373 . 0 0 "[ . 1 . 2]" 1
1337 1 52 LEU HA 1 53 GLU QB . . 5.010 4.056 4.006 4.181 . 0 0 "[ . 1 . 2]" 1
1338 1 52 LEU HA 1 54 GLU H . . 4.170 3.658 3.551 3.799 . 0 0 "[ . 1 . 2]" 1
1339 1 52 LEU HA 1 59 VAL MG2 . . 4.570 3.820 3.512 4.243 . 0 0 "[ . 1 . 2]" 1
1340 1 52 LEU HA 1 72 THR MG . . 4.810 4.308 4.151 4.557 . 0 0 "[ . 1 . 2]" 1
1341 1 52 LEU HA 1 74 PHE HA . . 3.540 2.783 2.548 2.963 . 0 0 "[ . 1 . 2]" 1
1342 1 52 LEU HA 1 74 PHE QD . . 4.390 2.622 2.260 3.416 . 0 0 "[ . 1 . 2]" 1
1343 1 52 LEU HA 1 75 MET H . . 4.470 3.817 3.646 3.942 . 0 0 "[ . 1 . 2]" 1
1344 1 52 LEU QB 1 52 LEU QD . . 2.650 1.915 1.855 1.955 . 0 0 "[ . 1 . 2]" 1
1345 1 52 LEU QB 1 53 GLU H . . 3.870 3.017 2.841 3.262 . 0 0 "[ . 1 . 2]" 1
1346 1 52 LEU QB 1 54 GLU H . . 3.520 2.365 2.236 2.629 . 0 0 "[ . 1 . 2]" 1
1347 1 52 LEU QB 1 54 GLU QB . . 4.340 3.634 3.303 3.862 . 0 0 "[ . 1 . 2]" 1
1348 1 52 LEU QB 1 54 GLU QG . . 4.340 1.926 1.770 2.344 . 0 0 "[ . 1 . 2]" 1
1349 1 52 LEU QB 1 56 GLY H . . 3.650 2.630 2.303 3.151 . 0 0 "[ . 1 . 2]" 1
1350 1 52 LEU QB 1 57 THR H . . 3.540 2.057 1.889 2.463 . 0 0 "[ . 1 . 2]" 1
1351 1 52 LEU QB 1 57 THR HB . . 3.870 2.908 2.484 3.205 . 0 0 "[ . 1 . 2]" 1
1352 1 52 LEU HB2 1 52 LEU MD1 . . 3.670 2.245 2.120 2.483 . 0 0 "[ . 1 . 2]" 1
1353 1 52 LEU HB2 1 52 LEU MD2 . . 3.670 3.187 3.173 3.195 . 0 0 "[ . 1 . 2]" 1
1354 1 52 LEU HB2 1 53 GLU H . . 4.570 4.120 3.945 4.317 . 0 0 "[ . 1 . 2]" 1
1355 1 52 LEU HB2 1 54 GLU H . . 4.160 3.187 2.926 3.508 . 0 0 "[ . 1 . 2]" 1
1356 1 52 LEU HB2 1 55 ASP H . . 4.010 2.819 2.564 2.963 . 0 0 "[ . 1 . 2]" 1
1357 1 52 LEU HB2 1 56 GLY H . . 4.220 2.716 2.338 3.331 . 0 0 "[ . 1 . 2]" 1
1358 1 52 LEU HB2 1 57 THR HB . . 4.600 2.957 2.509 3.281 . 0 0 "[ . 1 . 2]" 1
1359 1 52 LEU HB3 1 52 LEU MD1 . . 3.670 2.420 2.215 2.548 . 0 0 "[ . 1 . 2]" 1
1360 1 52 LEU HB3 1 52 LEU MD2 . . 3.670 2.340 2.190 2.489 . 0 0 "[ . 1 . 2]" 1
1361 1 52 LEU HB3 1 53 GLU H . . 4.570 3.104 2.914 3.410 . 0 0 "[ . 1 . 2]" 1
1362 1 52 LEU HB3 1 54 GLU H . . 4.160 2.452 2.262 2.745 . 0 0 "[ . 1 . 2]" 1
1363 1 52 LEU HB3 1 55 ASP H . . 4.010 3.024 2.485 3.735 . 0 0 "[ . 1 . 2]" 1
1364 1 52 LEU HB3 1 56 GLY H . . 4.220 3.608 3.186 4.112 . 0 0 "[ . 1 . 2]" 1
1365 1 52 LEU HB3 1 57 THR HB . . 4.600 4.323 3.987 4.526 . 0 0 "[ . 1 . 2]" 1
1366 1 52 LEU QD 1 53 GLU H . . 3.840 3.348 2.935 3.780 . 0 0 "[ . 1 . 2]" 1
1367 1 52 LEU QD 1 55 ASP H . . 4.290 3.574 3.317 3.934 . 0 0 "[ . 1 . 2]" 1
1368 1 52 LEU QD 1 56 GLY H . . 4.760 4.053 3.721 4.469 . 0 0 "[ . 1 . 2]" 1
1369 1 52 LEU QD 1 57 THR H . . 3.710 3.096 2.612 3.347 . 0 0 "[ . 1 . 2]" 1
1370 1 52 LEU QD 1 57 THR HB . . 3.130 2.015 1.824 2.256 . 0 0 "[ . 1 . 2]" 1
1371 1 52 LEU QD 1 59 VAL MG1 . . 4.740 3.587 3.177 4.422 . 0 0 "[ . 1 . 2]" 1
1372 1 52 LEU QD 1 59 VAL MG2 . . 3.070 2.183 1.883 2.819 . 0 0 "[ . 1 . 2]" 1
1373 1 52 LEU QD 1 64 PHE HZ . . 3.610 2.303 1.917 2.734 . 0 0 "[ . 1 . 2]" 1
1374 1 52 LEU QD 1 68 LEU MD1 . . 3.250 2.457 2.005 2.998 . 0 0 "[ . 1 . 2]" 1
1375 1 52 LEU QD 1 68 LEU MD2 . . 3.320 2.208 1.941 2.755 . 0 0 "[ . 1 . 2]" 1
1376 1 52 LEU QD 1 72 THR MG . . 2.840 2.720 2.485 2.836 . 0 0 "[ . 1 . 2]" 1
1377 1 52 LEU QD 1 73 HIS H . . 5.390 4.970 3.992 5.345 . 0 0 "[ . 1 . 2]" 1
1378 1 52 LEU QD 1 74 PHE HA . . 4.710 3.733 3.521 3.886 . 0 0 "[ . 1 . 2]" 1
1379 1 52 LEU QD 1 74 PHE QD . . 3.630 2.562 2.248 3.354 . 0 0 "[ . 1 . 2]" 1
1380 1 52 LEU QD 1 74 PHE QE . . 3.530 2.261 1.895 3.019 . 0 0 "[ . 1 . 2]" 1
1381 1 52 LEU QD 1 74 PHE HZ . . 4.540 4.048 3.737 4.312 . 0 0 "[ . 1 . 2]" 1
1382 1 52 LEU QD 1 75 MET H . . 5.130 4.904 4.700 5.076 . 0 0 "[ . 1 . 2]" 1
1383 1 52 LEU MD1 1 54 GLU H . . 4.700 4.227 4.108 4.513 . 0 0 "[ . 1 . 2]" 1
1384 1 52 LEU MD1 1 55 ASP H . . 5.390 3.681 3.434 4.048 . 0 0 "[ . 1 . 2]" 1
1385 1 52 LEU MD1 1 57 THR H . . 5.040 3.147 2.631 3.419 . 0 0 "[ . 1 . 2]" 1
1386 1 52 LEU MD1 1 57 THR HB . . 4.390 2.021 1.827 2.272 . 0 0 "[ . 1 . 2]" 1
1387 1 52 LEU MD2 1 54 GLU H . . 4.700 4.167 3.617 4.480 . 0 0 "[ . 1 . 2]" 1
1388 1 52 LEU MD2 1 55 ASP H . . 5.390 4.849 4.379 5.354 . 0 0 "[ . 1 . 2]" 1
1389 1 52 LEU MD2 1 57 THR H . . 5.040 4.650 4.323 4.908 . 0 0 "[ . 1 . 2]" 1
1390 1 52 LEU MD2 1 57 THR HB . . 4.390 4.131 3.838 4.386 . 0 0 "[ . 1 . 2]" 1
1391 1 52 LEU HG 1 53 GLU H . . 5.250 5.022 4.827 5.200 . 0 0 "[ . 1 . 2]" 1
1392 1 52 LEU HG 1 57 THR H . . 4.140 3.575 3.063 4.137 . 0 0 "[ . 1 . 2]" 1
1393 1 52 LEU HG 1 57 THR HB . . 3.930 2.757 2.221 3.150 . 0 0 "[ . 1 . 2]" 1
1394 1 52 LEU HG 1 57 THR MG . . 4.400 3.832 3.197 4.194 . 0 0 "[ . 1 . 2]" 1
1395 1 52 LEU HG 1 59 VAL MG2 . . 3.310 2.308 1.892 2.680 . 0 0 "[ . 1 . 2]" 1
1396 1 53 GLU H 1 53 GLU HB2 . . 3.700 2.416 2.183 3.500 . 0 0 "[ . 1 . 2]" 1
1397 1 53 GLU H 1 53 GLU QB . . 3.190 2.235 2.162 2.293 . 0 0 "[ . 1 . 2]" 1
1398 1 53 GLU H 1 53 GLU HB3 . . 3.700 2.847 2.197 3.484 . 0 0 "[ . 1 . 2]" 1
1399 1 53 GLU H 1 53 GLU QG . . 5.030 3.826 2.997 4.096 . 0 0 "[ . 1 . 2]" 1
1400 1 53 GLU H 1 54 GLU H . . 3.390 2.739 2.683 2.832 . 0 0 "[ . 1 . 2]" 1
1401 1 53 GLU H 1 72 THR MG . . 4.820 4.398 4.102 4.717 . 0 0 "[ . 1 . 2]" 1
1402 1 53 GLU H 1 73 HIS HB2 . . 5.500 4.312 3.909 5.153 . 0 0 "[ . 1 . 2]" 1
1403 1 53 GLU H 1 73 HIS HB3 . . 4.390 3.812 3.074 4.123 . 0 0 "[ . 1 . 2]" 1
1404 1 53 GLU H 1 74 PHE H . . 5.460 4.476 4.234 4.688 . 0 0 "[ . 1 . 2]" 1
1405 1 53 GLU H 1 74 PHE HA . . 3.380 2.556 2.491 2.640 . 0 0 "[ . 1 . 2]" 1
1406 1 53 GLU H 1 74 PHE HB2 . . 5.500 5.500 5.474 5.510 0.010 18 0 "[ . 1 . 2]" 1
1407 1 53 GLU H 1 74 PHE HB3 . . 5.430 4.997 4.866 5.140 . 0 0 "[ . 1 . 2]" 1
1408 1 53 GLU H 1 74 PHE QD . . 4.830 3.833 3.360 4.596 . 0 0 "[ . 1 . 2]" 1
1409 1 53 GLU H 1 75 MET H . . 4.190 4.028 3.831 4.186 . 0 0 "[ . 1 . 2]" 1
1410 1 53 GLU H 1 75 MET HB2 . . 5.240 4.692 4.088 5.003 . 0 0 "[ . 1 . 2]" 1
1411 1 53 GLU H 1 75 MET HB3 . . 5.000 4.499 4.157 4.887 . 0 0 "[ . 1 . 2]" 1
1412 1 53 GLU HA 1 53 GLU QG . . 3.450 2.527 2.188 3.390 . 0 0 "[ . 1 . 2]" 1
1413 1 53 GLU HA 1 74 PHE HA . . 4.820 4.416 4.208 4.741 . 0 0 "[ . 1 . 2]" 1
1414 1 53 GLU HA 1 75 MET H . . 4.920 4.526 4.352 4.783 . 0 0 "[ . 1 . 2]" 1
1415 1 53 GLU HA 1 75 MET HB2 . . 3.950 2.959 2.707 3.204 . 0 0 "[ . 1 . 2]" 1
1416 1 53 GLU HA 1 75 MET HB3 . . 4.640 3.309 3.131 3.573 . 0 0 "[ . 1 . 2]" 1
1417 1 53 GLU HA 1 83 TRP HD1 . . 3.920 3.110 2.778 3.511 . 0 0 "[ . 1 . 2]" 1
1418 1 53 GLU HA 1 83 TRP HE1 . . 3.510 2.499 1.912 3.096 . 0 0 "[ . 1 . 2]" 1
1419 1 53 GLU QB 1 54 GLU H . . 3.700 3.611 3.519 3.708 0.008 18 0 "[ . 1 . 2]" 1
1420 1 53 GLU QB 1 73 HIS H . . 5.180 4.421 3.965 5.183 0.003 11 0 "[ . 1 . 2]" 1
1421 1 53 GLU QB 1 73 HIS HB2 . . 4.620 2.850 2.465 3.617 . 0 0 "[ . 1 . 2]" 1
1422 1 53 GLU QB 1 73 HIS HB3 . . 4.250 1.969 1.895 2.363 . 0 0 "[ . 1 . 2]" 1
1423 1 53 GLU QB 1 73 HIS HD2 . . 5.340 4.209 3.090 4.524 . 0 0 "[ . 1 . 2]" 1
1424 1 53 GLU QB 1 74 PHE HA . . 5.100 2.923 2.576 3.376 . 0 0 "[ . 1 . 2]" 1
1425 1 53 GLU QB 1 83 TRP HE1 . . 5.340 4.434 3.383 4.881 . 0 0 "[ . 1 . 2]" 1
1426 1 53 GLU HB2 1 54 GLU H . . 4.520 4.283 3.815 4.469 . 0 0 "[ . 1 . 2]" 1
1427 1 53 GLU HB2 1 73 HIS HB3 . . 5.110 2.591 2.000 3.500 . 0 0 "[ . 1 . 2]" 1
1428 1 53 GLU HB3 1 54 GLU H . . 4.520 3.912 3.759 4.248 . 0 0 "[ . 1 . 2]" 1
1429 1 53 GLU HB3 1 73 HIS HB3 . . 5.110 2.131 1.996 2.813 . 0 0 "[ . 1 . 2]" 1
1430 1 54 GLU H 1 54 GLU HB2 . . 3.730 3.685 3.515 3.770 0.040 16 0 "[ . 1 . 2]" 1
1431 1 54 GLU H 1 54 GLU QB . . 2.960 2.867 2.536 3.022 0.062 13 0 "[ . 1 . 2]" 1
1432 1 54 GLU H 1 54 GLU HB3 . . 3.730 3.006 2.593 3.287 . 0 0 "[ . 1 . 2]" 1
1433 1 54 GLU H 1 54 GLU HG2 . . 3.930 2.154 1.899 2.624 . 0 0 "[ . 1 . 2]" 1
1434 1 54 GLU H 1 54 GLU QG . . 3.310 2.094 1.830 2.569 . 0 0 "[ . 1 . 2]" 1
1435 1 54 GLU H 1 54 GLU HG3 . . 3.930 2.988 2.326 3.658 . 0 0 "[ . 1 . 2]" 1
1436 1 54 GLU H 1 55 ASP H . . 3.450 2.207 1.993 2.890 . 0 0 "[ . 1 . 2]" 1
1437 1 54 GLU H 1 56 GLY H . . 4.280 2.851 2.672 3.756 . 0 0 "[ . 1 . 2]" 1
1438 1 54 GLU H 1 74 PHE HA . . 5.500 5.223 5.168 5.305 . 0 0 "[ . 1 . 2]" 1
1439 1 54 GLU HA 1 54 GLU HG2 . . 3.910 3.703 3.521 3.828 . 0 0 "[ . 1 . 2]" 1
1440 1 54 GLU HA 1 54 GLU QG . . 3.410 3.313 3.250 3.338 . 0 0 "[ . 1 . 2]" 1
1441 1 54 GLU HA 1 54 GLU HG3 . . 3.910 3.748 3.547 3.907 . 0 0 "[ . 1 . 2]" 1
1442 1 54 GLU HA 1 56 GLY H . . 5.020 4.683 4.390 5.046 0.026 11 0 "[ . 1 . 2]" 1
1443 1 54 GLU HA 1 83 TRP HE1 . . 4.940 4.336 4.037 4.849 . 0 0 "[ . 1 . 2]" 1
1444 1 54 GLU HA 1 83 TRP HZ2 . . 4.830 4.200 3.630 4.691 . 0 0 "[ . 1 . 2]" 1
1445 1 54 GLU QB 1 55 ASP H . . 3.370 3.202 2.894 3.353 . 0 0 "[ . 1 . 2]" 1
1446 1 54 GLU QB 1 56 GLY H . . 4.760 4.692 4.526 4.813 0.053 19 0 "[ . 1 . 2]" 1
1447 1 54 GLU HB2 1 55 ASP H . . 3.920 3.481 2.982 3.822 . 0 0 "[ . 1 . 2]" 1
1448 1 54 GLU HB2 1 56 GLY H . . 5.500 5.233 4.823 5.493 . 0 0 "[ . 1 . 2]" 1
1449 1 54 GLU HB3 1 55 ASP H . . 3.920 3.814 3.477 3.958 0.038 14 0 "[ . 1 . 2]" 1
1450 1 54 GLU HB3 1 56 GLY H . . 5.500 5.340 4.947 5.526 0.026 15 0 "[ . 1 . 2]" 1
1451 1 54 GLU QG 1 55 ASP H . . 3.470 1.844 1.767 1.885 . 0 0 "[ . 1 . 2]" 1
1452 1 54 GLU QG 1 56 GLY H . . 4.220 3.318 2.859 3.649 . 0 0 "[ . 1 . 2]" 1
1453 1 54 GLU HG2 1 55 ASP H . . 4.020 2.480 1.900 3.170 . 0 0 "[ . 1 . 2]" 1
1454 1 54 GLU HG2 1 56 GLY H . . 4.840 3.861 3.058 4.528 . 0 0 "[ . 1 . 2]" 1
1455 1 54 GLU HG3 1 55 ASP H . . 4.020 2.014 1.890 2.350 . 0 0 "[ . 1 . 2]" 1
1456 1 54 GLU HG3 1 56 GLY H . . 4.840 3.749 3.355 4.158 . 0 0 "[ . 1 . 2]" 1
1457 1 55 ASP H 1 56 GLY H . . 2.730 1.855 1.774 2.152 . 0 0 "[ . 1 . 2]" 1
1458 1 55 ASP H 1 56 GLY HA2 . . 4.830 4.129 4.070 4.263 . 0 0 "[ . 1 . 2]" 1
1459 1 55 ASP H 1 56 GLY QA . . 4.010 3.845 3.799 3.973 . 0 0 "[ . 1 . 2]" 1
1460 1 55 ASP H 1 56 GLY HA3 . . 4.830 4.584 4.539 4.747 . 0 0 "[ . 1 . 2]" 1
1461 1 55 ASP H 1 57 THR H . . 3.960 3.388 3.100 3.735 . 0 0 "[ . 1 . 2]" 1
1462 1 55 ASP H 1 83 TRP HE1 . . 4.590 4.213 3.916 4.592 0.002 18 0 "[ . 1 . 2]" 1
1463 1 55 ASP H 1 83 TRP HZ2 . . 4.890 4.551 4.297 4.876 . 0 0 "[ . 1 . 2]" 1
1464 1 55 ASP HA 1 83 TRP HE1 . . 4.940 4.638 4.284 4.941 0.001 17 0 "[ . 1 . 2]" 1
1465 1 55 ASP HA 1 83 TRP HH2 . . 3.990 3.720 3.373 3.986 . 0 0 "[ . 1 . 2]" 1
1466 1 55 ASP HA 1 83 TRP HZ2 . . 3.480 3.222 2.666 3.478 . 0 0 "[ . 1 . 2]" 1
1467 1 55 ASP QB 1 56 GLY H . . 4.170 3.345 2.997 3.880 . 0 0 "[ . 1 . 2]" 1
1468 1 55 ASP HB2 1 56 GLY H . . 4.910 3.789 3.141 4.447 . 0 0 "[ . 1 . 2]" 1
1469 1 55 ASP HB3 1 56 GLY H . . 4.910 3.897 3.136 4.572 . 0 0 "[ . 1 . 2]" 1
1470 1 56 GLY H 1 57 THR H . . 3.410 2.483 2.016 2.740 . 0 0 "[ . 1 . 2]" 1
1471 1 56 GLY H 1 75 MET HB3 . . 5.500 5.450 5.300 5.508 0.008 16 0 "[ . 1 . 2]" 1
1472 1 56 GLY H 1 83 TRP HB2 . . 5.500 5.390 5.304 5.481 . 0 0 "[ . 1 . 2]" 1
1473 1 56 GLY H 1 83 TRP HB3 . . 5.500 5.485 5.399 5.503 0.003 17 0 "[ . 1 . 2]" 1
1474 1 56 GLY H 1 83 TRP HE1 . . 3.930 3.354 2.871 3.929 . 0 0 "[ . 1 . 2]" 1
1475 1 56 GLY QA 1 83 TRP QB . . 3.820 2.494 2.374 2.613 . 0 0 "[ . 1 . 2]" 1
1476 1 56 GLY QA 1 83 TRP HD1 . . 3.930 2.623 2.366 2.994 . 0 0 "[ . 1 . 2]" 1
1477 1 56 GLY QA 1 83 TRP HE1 . . 4.550 3.338 3.114 3.703 . 0 0 "[ . 1 . 2]" 1
1478 1 56 GLY QA 1 83 TRP HE3 . . 4.460 3.603 3.302 3.899 . 0 0 "[ . 1 . 2]" 1
1479 1 56 GLY HA2 1 83 TRP HB2 . . 5.090 3.294 3.115 3.565 . 0 0 "[ . 1 . 2]" 1
1480 1 56 GLY HA2 1 83 TRP HB3 . . 5.090 3.707 3.517 4.022 . 0 0 "[ . 1 . 2]" 1
1481 1 56 GLY HA2 1 83 TRP HE1 . . 5.220 3.591 3.278 4.051 . 0 0 "[ . 1 . 2]" 1
1482 1 56 GLY HA3 1 83 TRP HB2 . . 5.090 3.270 3.036 3.569 . 0 0 "[ . 1 . 2]" 1
1483 1 56 GLY HA3 1 83 TRP HB3 . . 5.090 2.788 2.648 2.943 . 0 0 "[ . 1 . 2]" 1
1484 1 56 GLY HA3 1 83 TRP HE1 . . 5.220 3.981 3.797 4.391 . 0 0 "[ . 1 . 2]" 1
1485 1 57 THR H 1 57 THR HB . . 3.320 2.530 2.408 2.641 . 0 0 "[ . 1 . 2]" 1
1486 1 57 THR H 1 57 THR MG . . 3.890 3.781 3.747 3.811 . 0 0 "[ . 1 . 2]" 1
1487 1 57 THR H 1 58 VAL H . . 4.610 4.460 4.241 4.553 . 0 0 "[ . 1 . 2]" 1
1488 1 57 THR HA 1 57 THR MG . . 3.510 2.375 2.221 2.462 . 0 0 "[ . 1 . 2]" 1
1489 1 57 THR HA 1 58 VAL H . . 2.880 2.150 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
1490 1 57 THR HA 1 58 VAL HB . . 4.960 4.633 4.515 4.825 . 0 0 "[ . 1 . 2]" 1
1491 1 57 THR HA 1 58 VAL QG . . 4.070 3.631 3.472 3.789 . 0 0 "[ . 1 . 2]" 1
1492 1 57 THR HB 1 58 VAL H . . 5.170 4.239 4.072 4.383 . 0 0 "[ . 1 . 2]" 1
1493 1 57 THR HB 1 64 PHE QE . . 4.900 3.347 2.609 3.695 . 0 0 "[ . 1 . 2]" 1
1494 1 57 THR MG 1 58 VAL H . . 3.380 2.609 2.377 3.169 . 0 0 "[ . 1 . 2]" 1
1495 1 57 THR MG 1 64 PHE HZ . . 3.980 3.705 2.877 3.977 . 0 0 "[ . 1 . 2]" 1
1496 1 58 VAL H 1 58 VAL HB . . 3.010 2.569 2.406 2.908 . 0 0 "[ . 1 . 2]" 1
1497 1 58 VAL H 1 58 VAL MG1 . . 3.990 3.027 1.875 3.777 . 0 0 "[ . 1 . 2]" 1
1498 1 58 VAL H 1 58 VAL QG . . 2.890 2.075 1.870 2.314 . 0 0 "[ . 1 . 2]" 1
1499 1 58 VAL H 1 58 VAL MG2 . . 3.990 2.817 2.004 3.773 . 0 0 "[ . 1 . 2]" 1
1500 1 58 VAL H 1 59 VAL H . . 4.570 4.471 4.311 4.571 0.001 8 0 "[ . 1 . 2]" 1
1501 1 58 VAL HA 1 58 VAL MG1 . . 3.320 2.747 2.361 3.201 . 0 0 "[ . 1 . 2]" 1
1502 1 58 VAL HA 1 58 VAL MG2 . . 3.320 2.360 2.256 2.482 . 0 0 "[ . 1 . 2]" 1
1503 1 58 VAL HA 1 59 VAL H . . 2.840 2.149 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
1504 1 58 VAL HA 1 59 VAL HB . . 4.830 4.699 4.541 4.797 . 0 0 "[ . 1 . 2]" 1
1505 1 58 VAL HA 1 59 VAL MG2 . . 4.010 3.604 3.400 3.894 . 0 0 "[ . 1 . 2]" 1
1506 1 58 VAL HB 1 59 VAL H . . 4.490 4.280 4.013 4.478 . 0 0 "[ . 1 . 2]" 1
1507 1 58 VAL QG 1 59 VAL H . . 3.200 2.732 2.313 3.087 . 0 0 "[ . 1 . 2]" 1
1508 1 58 VAL QG 1 59 VAL HA . . 4.260 3.635 3.452 3.898 . 0 0 "[ . 1 . 2]" 1
1509 1 58 VAL QG 1 60 ASP H . . 3.700 3.196 2.898 3.511 . 0 0 "[ . 1 . 2]" 1
1510 1 58 VAL QG 1 60 ASP QB . . 3.040 2.589 2.283 2.907 . 0 0 "[ . 1 . 2]" 1
1511 1 58 VAL QG 1 61 THR H . . 5.130 5.041 4.918 5.135 0.005 20 0 "[ . 1 . 2]" 1
1512 1 58 VAL MG1 1 59 VAL H . . 4.380 3.380 2.531 4.192 . 0 0 "[ . 1 . 2]" 1
1513 1 58 VAL MG2 1 59 VAL H . . 4.380 3.475 2.327 4.146 . 0 0 "[ . 1 . 2]" 1
1514 1 59 VAL H 1 59 VAL HB . . 3.330 2.600 2.478 2.769 . 0 0 "[ . 1 . 2]" 1
1515 1 59 VAL H 1 59 VAL MG1 . . 4.270 3.821 3.775 3.896 . 0 0 "[ . 1 . 2]" 1
1516 1 59 VAL H 1 59 VAL MG2 . . 3.340 2.397 2.009 2.684 . 0 0 "[ . 1 . 2]" 1
1517 1 59 VAL H 1 60 ASP H . . 4.230 4.075 3.881 4.229 . 0 0 "[ . 1 . 2]" 1
1518 1 59 VAL H 1 64 PHE QD . . 5.500 5.276 4.960 5.497 . 0 0 "[ . 1 . 2]" 1
1519 1 59 VAL H 1 64 PHE QE . . 5.500 5.362 5.122 5.480 . 0 0 "[ . 1 . 2]" 1
1520 1 59 VAL HA 1 59 VAL MG1 . . 3.240 2.304 2.197 2.435 . 0 0 "[ . 1 . 2]" 1
1521 1 59 VAL HA 1 59 VAL MG2 . . 3.200 2.427 2.286 2.542 . 0 0 "[ . 1 . 2]" 1
1522 1 59 VAL HA 1 60 ASP H . . 2.810 2.221 2.166 2.293 . 0 0 "[ . 1 . 2]" 1
1523 1 59 VAL HA 1 61 THR H . . 3.640 3.313 3.180 3.592 . 0 0 "[ . 1 . 2]" 1
1524 1 59 VAL HA 1 64 PHE QD . . 3.790 2.808 2.466 3.103 . 0 0 "[ . 1 . 2]" 1
1525 1 59 VAL HB 1 60 ASP H . . 4.660 4.411 4.336 4.511 . 0 0 "[ . 1 . 2]" 1
1526 1 59 VAL HB 1 61 THR H . . 5.290 4.750 4.518 5.031 . 0 0 "[ . 1 . 2]" 1
1527 1 59 VAL HB 1 74 PHE QE . . 5.180 4.397 3.440 4.935 . 0 0 "[ . 1 . 2]" 1
1528 1 59 VAL MG1 1 60 ASP H . . 3.630 3.267 2.974 3.455 . 0 0 "[ . 1 . 2]" 1
1529 1 59 VAL MG1 1 61 THR H . . 3.630 2.566 2.105 2.817 . 0 0 "[ . 1 . 2]" 1
1530 1 59 VAL MG1 1 64 PHE H . . 4.980 4.479 4.225 4.893 . 0 0 "[ . 1 . 2]" 1
1531 1 59 VAL MG1 1 64 PHE QB . . 4.420 2.732 2.337 3.172 . 0 0 "[ . 1 . 2]" 1
1532 1 59 VAL MG1 1 64 PHE QD . . 3.480 2.230 1.969 2.754 . 0 0 "[ . 1 . 2]" 1
1533 1 59 VAL MG1 1 65 PHE H . . 3.950 3.490 3.102 3.872 . 0 0 "[ . 1 . 2]" 1
1534 1 59 VAL MG1 1 65 PHE HA . . 3.650 3.075 2.799 3.325 . 0 0 "[ . 1 . 2]" 1
1535 1 59 VAL MG1 1 65 PHE HB2 . . 3.690 2.409 2.059 2.773 . 0 0 "[ . 1 . 2]" 1
1536 1 59 VAL MG1 1 65 PHE HB3 . . 4.240 3.581 3.119 4.070 . 0 0 "[ . 1 . 2]" 1
1537 1 59 VAL MG1 1 65 PHE QD . . 3.580 3.338 3.075 3.538 . 0 0 "[ . 1 . 2]" 1
1538 1 59 VAL MG1 1 74 PHE QE . . 4.260 3.792 3.312 4.261 0.001 2 0 "[ . 1 . 2]" 1
1539 1 59 VAL MG1 1 74 PHE HZ . . 5.050 4.628 4.276 4.954 . 0 0 "[ . 1 . 2]" 1
1540 1 59 VAL MG2 1 60 ASP H . . 4.440 4.279 4.193 4.334 . 0 0 "[ . 1 . 2]" 1
1541 1 59 VAL MG2 1 64 PHE QD . . 3.540 2.468 2.002 3.009 . 0 0 "[ . 1 . 2]" 1
1542 1 59 VAL MG2 1 64 PHE QE . . 3.610 2.202 1.964 2.591 . 0 0 "[ . 1 . 2]" 1
1543 1 59 VAL MG2 1 68 LEU MD2 . . 3.830 3.613 3.157 3.834 0.004 8 0 "[ . 1 . 2]" 1
1544 1 59 VAL MG2 1 74 PHE QD . . 3.730 3.525 3.264 3.722 . 0 0 "[ . 1 . 2]" 1
1545 1 59 VAL MG2 1 74 PHE QE . . 3.280 2.878 2.315 3.166 . 0 0 "[ . 1 . 2]" 1
1546 1 59 VAL MG2 1 74 PHE HZ . . 5.010 4.659 4.167 4.935 . 0 0 "[ . 1 . 2]" 1
1547 1 60 ASP H 1 60 ASP HB2 . . 4.130 2.896 2.437 3.763 . 0 0 "[ . 1 . 2]" 1
1548 1 60 ASP H 1 60 ASP QB . . 3.590 2.551 2.399 2.882 . 0 0 "[ . 1 . 2]" 1
1549 1 60 ASP H 1 60 ASP HB3 . . 4.130 3.038 2.534 3.682 . 0 0 "[ . 1 . 2]" 1
1550 1 60 ASP H 1 61 THR H . . 2.720 2.344 2.010 2.720 . 0 0 "[ . 1 . 2]" 1
1551 1 60 ASP H 1 61 THR MG . . 4.150 3.911 3.636 4.149 . 0 0 "[ . 1 . 2]" 1
1552 1 60 ASP H 1 64 PHE QD . . 4.560 4.345 4.027 4.561 0.001 3 0 "[ . 1 . 2]" 1
1553 1 60 ASP QB 1 61 THR H . . 3.900 3.716 3.268 3.902 0.002 4 0 "[ . 1 . 2]" 1
1554 1 60 ASP QB 1 61 THR MG . . 4.690 3.615 3.351 4.309 . 0 0 "[ . 1 . 2]" 1
1555 1 60 ASP HB2 1 61 THR H . . 4.440 4.328 4.048 4.449 0.009 11 0 "[ . 1 . 2]" 1
1556 1 60 ASP HB3 1 61 THR H . . 4.440 4.079 3.419 4.370 . 0 0 "[ . 1 . 2]" 1
1557 1 61 THR H 1 61 THR HB . . 4.070 3.686 3.578 3.817 . 0 0 "[ . 1 . 2]" 1
1558 1 61 THR H 1 61 THR HG1 . . 4.060 2.776 1.904 3.609 . 0 0 "[ . 1 . 2]" 1
1559 1 61 THR H 1 61 THR MG . . 3.330 3.265 2.953 3.330 0.000 15 0 "[ . 1 . 2]" 1
1560 1 61 THR H 1 62 GLU H . . 4.550 4.439 4.327 4.540 . 0 0 "[ . 1 . 2]" 1
1561 1 61 THR H 1 64 PHE H . . 4.820 4.675 4.476 4.819 . 0 0 "[ . 1 . 2]" 1
1562 1 61 THR H 1 64 PHE QB . . 3.770 3.573 3.302 3.747 . 0 0 "[ . 1 . 2]" 1
1563 1 61 THR H 1 65 PHE H . . 4.920 4.729 4.313 4.921 0.001 2 0 "[ . 1 . 2]" 1
1564 1 61 THR HA 1 61 THR MG . . 3.010 2.198 2.138 2.300 . 0 0 "[ . 1 . 2]" 1
1565 1 61 THR HA 1 62 GLU H . . 3.090 2.244 2.164 2.337 . 0 0 "[ . 1 . 2]" 1
1566 1 61 THR HA 1 63 GLU H . . 4.340 4.075 3.940 4.217 . 0 0 "[ . 1 . 2]" 1
1567 1 61 THR HB 1 62 GLU H . . 3.700 2.898 2.565 3.262 . 0 0 "[ . 1 . 2]" 1
1568 1 61 THR HB 1 63 GLU H . . 3.360 2.777 2.436 3.122 . 0 0 "[ . 1 . 2]" 1
1569 1 61 THR HB 1 63 GLU QB . . 4.320 3.886 3.221 4.240 . 0 0 "[ . 1 . 2]" 1
1570 1 61 THR HB 1 63 GLU QG . . 4.370 2.456 1.984 3.935 . 0 0 "[ . 1 . 2]" 1
1571 1 61 THR HB 1 64 PHE H . . 3.670 2.674 2.361 2.904 . 0 0 "[ . 1 . 2]" 1
1572 1 61 THR HG1 1 64 PHE H . . 4.140 2.761 1.974 3.528 . 0 0 "[ . 1 . 2]" 1
1573 1 61 THR MG 1 62 GLU H . . 3.960 3.512 3.398 3.669 . 0 0 "[ . 1 . 2]" 1
1574 1 61 THR MG 1 63 GLU H . . 4.130 4.047 3.925 4.130 . 15 0 "[ . 1 . 2]" 1
1575 1 61 THR MG 1 63 GLU QB . . 4.720 4.553 4.124 4.715 . 0 0 "[ . 1 . 2]" 1
1576 1 61 THR MG 1 63 GLU QG . . 4.550 3.344 2.951 4.384 . 0 0 "[ . 1 . 2]" 1
1577 1 61 THR MG 1 64 PHE H . . 4.350 4.209 4.024 4.345 . 0 0 "[ . 1 . 2]" 1
1578 1 61 THR MG 1 64 PHE QB . . 4.700 3.876 3.490 4.225 . 0 0 "[ . 1 . 2]" 1
1579 1 62 GLU H 1 62 GLU QB . . 3.280 2.245 2.174 2.301 . 0 0 "[ . 1 . 2]" 1
1580 1 62 GLU H 1 62 GLU HG2 . . 4.800 4.387 2.728 4.642 . 0 0 "[ . 1 . 2]" 1
1581 1 62 GLU H 1 62 GLU QG . . 4.160 3.862 2.681 4.054 . 0 0 "[ . 1 . 2]" 1
1582 1 62 GLU H 1 62 GLU HG3 . . 4.800 4.353 3.241 4.662 . 0 0 "[ . 1 . 2]" 1
1583 1 62 GLU H 1 63 GLU H . . 3.290 2.441 2.263 2.653 . 0 0 "[ . 1 . 2]" 1
1584 1 62 GLU H 1 63 GLU QG . . 5.340 3.839 3.577 4.127 . 0 0 "[ . 1 . 2]" 1
1585 1 62 GLU HA 1 62 GLU HG2 . . 4.070 3.012 2.528 3.742 . 0 0 "[ . 1 . 2]" 1
1586 1 62 GLU HA 1 62 GLU HG3 . . 4.070 2.645 2.340 3.635 . 0 0 "[ . 1 . 2]" 1
1587 1 62 GLU HA 1 64 PHE H . . 4.760 4.158 3.952 4.390 . 0 0 "[ . 1 . 2]" 1
1588 1 62 GLU HA 1 65 PHE H . . 3.900 3.215 3.065 3.386 . 0 0 "[ . 1 . 2]" 1
1589 1 62 GLU HA 1 65 PHE HB2 . . 4.100 3.820 3.527 4.066 . 0 0 "[ . 1 . 2]" 1
1590 1 62 GLU HA 1 65 PHE HB3 . . 3.390 2.360 2.240 2.565 . 0 0 "[ . 1 . 2]" 1
1591 1 62 GLU HA 1 65 PHE QD . . 4.220 3.766 3.421 4.084 . 0 0 "[ . 1 . 2]" 1
1592 1 62 GLU HA 1 66 GLN H . . 4.290 3.936 3.383 4.208 . 0 0 "[ . 1 . 2]" 1
1593 1 62 GLU QB 1 63 GLU H . . 3.300 2.742 2.474 3.314 0.014 6 0 "[ . 1 . 2]" 1
1594 1 62 GLU QB 1 66 GLN QE . . 5.040 4.463 3.165 4.981 . 0 0 "[ . 1 . 2]" 1
1595 1 62 GLU QG 1 66 GLN QE . . 4.330 2.683 2.285 3.800 . 0 0 "[ . 1 . 2]" 1
1596 1 62 GLU HG2 1 66 GLN HG2 . . 4.950 2.754 2.147 4.934 . 0 0 "[ . 1 . 2]" 1
1597 1 62 GLU HG2 1 66 GLN HG3 . . 4.950 2.906 2.232 4.697 . 0 0 "[ . 1 . 2]" 1
1598 1 62 GLU HG3 1 66 GLN HG2 . . 4.950 3.410 2.438 4.567 . 0 0 "[ . 1 . 2]" 1
1599 1 62 GLU HG3 1 66 GLN HG3 . . 4.950 4.021 2.892 4.948 . 0 0 "[ . 1 . 2]" 1
1600 1 63 GLU H 1 63 GLU HB2 . . 3.630 3.381 2.522 3.602 . 0 0 "[ . 1 . 2]" 1
1601 1 63 GLU H 1 63 GLU QB . . 2.980 2.447 2.336 2.529 . 0 0 "[ . 1 . 2]" 1
1602 1 63 GLU H 1 63 GLU HB3 . . 3.630 2.698 2.368 3.594 . 0 0 "[ . 1 . 2]" 1
1603 1 63 GLU H 1 63 GLU HG2 . . 3.780 2.392 2.123 2.953 . 0 0 "[ . 1 . 2]" 1
1604 1 63 GLU H 1 63 GLU HG3 . . 3.780 3.192 2.331 3.774 . 0 0 "[ . 1 . 2]" 1
1605 1 63 GLU H 1 64 PHE H . . 3.480 2.662 2.501 2.777 . 0 0 "[ . 1 . 2]" 1
1606 1 63 GLU H 1 65 PHE H . . 4.590 4.012 3.832 4.176 . 0 0 "[ . 1 . 2]" 1
1607 1 63 GLU HA 1 63 GLU HG2 . . 3.990 3.508 2.413 3.858 . 0 0 "[ . 1 . 2]" 1
1608 1 63 GLU HA 1 63 GLU QG . . 3.370 3.146 2.367 3.339 . 0 0 "[ . 1 . 2]" 1
1609 1 63 GLU HA 1 63 GLU HG3 . . 3.990 3.667 3.429 3.859 . 0 0 "[ . 1 . 2]" 1
1610 1 63 GLU HA 1 66 GLN H . . 3.850 3.606 3.416 3.818 . 0 0 "[ . 1 . 2]" 1
1611 1 63 GLU HA 1 66 GLN HB2 . . 4.660 2.868 2.611 3.049 . 0 0 "[ . 1 . 2]" 1
1612 1 63 GLU HA 1 66 GLN QB . . 4.010 2.836 2.587 3.011 . 0 0 "[ . 1 . 2]" 1
1613 1 63 GLU HA 1 66 GLN HB3 . . 4.660 4.470 4.192 4.660 0.000 5 0 "[ . 1 . 2]" 1
1614 1 63 GLU HA 1 66 GLN HG2 . . 4.620 4.072 3.721 4.622 0.002 18 0 "[ . 1 . 2]" 1
1615 1 63 GLU HA 1 66 GLN HG3 . . 4.620 3.468 3.048 3.878 . 0 0 "[ . 1 . 2]" 1
1616 1 63 GLU QB 1 64 PHE H . . 3.530 3.301 2.586 3.529 . 0 0 "[ . 1 . 2]" 1
1617 1 63 GLU QB 1 64 PHE HA . . 4.920 4.314 3.920 4.522 . 0 0 "[ . 1 . 2]" 1
1618 1 63 GLU HB2 1 64 PHE H . . 4.080 3.631 2.638 4.028 . 0 0 "[ . 1 . 2]" 1
1619 1 63 GLU HB3 1 64 PHE H . . 4.080 3.892 3.710 3.990 . 0 0 "[ . 1 . 2]" 1
1620 1 63 GLU QG 1 64 PHE H . . 4.100 2.483 1.898 4.003 . 0 0 "[ . 1 . 2]" 1
1621 1 63 GLU HG2 1 64 PHE H . . 4.760 2.976 2.015 4.759 . 0 0 "[ . 1 . 2]" 1
1622 1 63 GLU HG3 1 64 PHE H . . 4.760 2.769 1.943 4.311 . 0 0 "[ . 1 . 2]" 1
1623 1 64 PHE H 1 64 PHE HB2 . . 3.360 2.589 2.447 2.676 . 0 0 "[ . 1 . 2]" 1
1624 1 64 PHE H 1 64 PHE QB . . 2.920 2.286 2.249 2.322 . 0 0 "[ . 1 . 2]" 1
1625 1 64 PHE H 1 64 PHE HB3 . . 3.360 2.550 2.466 2.629 . 0 0 "[ . 1 . 2]" 1
1626 1 64 PHE H 1 64 PHE QD . . 4.400 4.190 4.145 4.209 . 0 0 "[ . 1 . 2]" 1
1627 1 64 PHE H 1 65 PHE H . . 3.140 2.417 2.276 2.619 . 0 0 "[ . 1 . 2]" 1
1628 1 64 PHE H 1 65 PHE HB2 . . 5.460 5.171 5.003 5.460 . 0 0 "[ . 1 . 2]" 1
1629 1 64 PHE H 1 65 PHE HB3 . . 4.700 4.389 4.253 4.568 . 0 0 "[ . 1 . 2]" 1
1630 1 64 PHE H 1 67 THR MG . . 4.880 4.651 4.381 4.880 0.000 6 0 "[ . 1 . 2]" 1
1631 1 64 PHE HA 1 64 PHE QD . . 3.700 2.057 1.997 2.235 . 0 0 "[ . 1 . 2]" 1
1632 1 64 PHE HA 1 66 GLN H . . 5.060 4.228 3.887 4.552 . 0 0 "[ . 1 . 2]" 1
1633 1 64 PHE HA 1 67 THR H . . 4.210 3.619 3.409 3.770 . 0 0 "[ . 1 . 2]" 1
1634 1 64 PHE HA 1 67 THR HG1 . . 4.470 2.804 2.102 3.743 . 0 0 "[ . 1 . 2]" 1
1635 1 64 PHE HA 1 67 THR MG . . 3.500 2.854 2.388 3.182 . 0 0 "[ . 1 . 2]" 1
1636 1 64 PHE QB 1 65 PHE H . . 3.370 2.768 2.587 2.933 . 0 0 "[ . 1 . 2]" 1
1637 1 64 PHE HB2 1 65 PHE H . . 4.030 3.958 3.831 4.031 0.001 7 0 "[ . 1 . 2]" 1
1638 1 64 PHE HB3 1 65 PHE H . . 4.030 2.827 2.626 3.013 . 0 0 "[ . 1 . 2]" 1
1639 1 64 PHE QD 1 65 PHE H . . 4.600 4.312 3.982 4.494 . 0 0 "[ . 1 . 2]" 1
1640 1 64 PHE QD 1 67 THR MG . . 4.420 3.611 3.252 4.032 . 0 0 "[ . 1 . 2]" 1
1641 1 64 PHE QD 1 68 LEU MD1 . . 4.820 4.154 3.607 4.563 . 0 0 "[ . 1 . 2]" 1
1642 1 64 PHE QD 1 68 LEU MD2 . . 4.350 3.845 3.538 4.054 . 0 0 "[ . 1 . 2]" 1
1643 1 64 PHE QE 1 68 LEU MD1 . . 5.210 4.231 3.462 4.783 . 0 0 "[ . 1 . 2]" 1
1644 1 64 PHE QE 1 68 LEU MD2 . . 4.530 3.306 2.867 3.775 . 0 0 "[ . 1 . 2]" 1
1645 1 64 PHE HZ 1 68 LEU MD2 . . 4.820 3.536 2.882 4.130 . 0 0 "[ . 1 . 2]" 1
1646 1 65 PHE H 1 65 PHE HB2 . . 3.300 2.946 2.811 3.090 . 0 0 "[ . 1 . 2]" 1
1647 1 65 PHE H 1 65 PHE HB3 . . 3.260 2.243 2.189 2.300 . 0 0 "[ . 1 . 2]" 1
1648 1 65 PHE H 1 65 PHE QD . . 4.050 3.908 3.753 4.042 . 0 0 "[ . 1 . 2]" 1
1649 1 65 PHE H 1 66 GLN H . . 3.320 2.442 2.298 2.549 . 0 0 "[ . 1 . 2]" 1
1650 1 65 PHE H 1 68 LEU MD1 . . 4.670 4.488 4.246 4.653 . 0 0 "[ . 1 . 2]" 1
1651 1 65 PHE HA 1 65 PHE QD . . 3.650 3.280 3.164 3.349 . 0 0 "[ . 1 . 2]" 1
1652 1 65 PHE HA 1 67 THR H . . 5.060 3.833 3.553 4.118 . 0 0 "[ . 1 . 2]" 1
1653 1 65 PHE HA 1 68 LEU H . . 3.670 3.345 3.198 3.488 . 0 0 "[ . 1 . 2]" 1
1654 1 65 PHE HA 1 68 LEU HB2 . . 4.530 3.445 3.240 3.740 . 0 0 "[ . 1 . 2]" 1
1655 1 65 PHE HA 1 68 LEU MD1 . . 3.190 2.175 1.945 2.405 . 0 0 "[ . 1 . 2]" 1
1656 1 65 PHE HA 1 68 LEU MD2 . . 4.290 3.750 3.532 3.999 . 0 0 "[ . 1 . 2]" 1
1657 1 65 PHE HA 1 68 LEU HG . . 3.810 2.266 2.037 2.623 . 0 0 "[ . 1 . 2]" 1
1658 1 65 PHE HB2 1 66 GLN H . . 4.270 4.189 4.004 4.274 0.004 2 0 "[ . 1 . 2]" 1
1659 1 65 PHE HB2 1 68 LEU HG . . 5.500 4.521 4.304 4.855 . 0 0 "[ . 1 . 2]" 1
1660 1 65 PHE HB3 1 66 GLN H . . 3.540 2.984 2.676 3.155 . 0 0 "[ . 1 . 2]" 1
1661 1 65 PHE QD 1 66 GLN H . . 3.770 2.847 2.701 3.205 . 0 0 "[ . 1 . 2]" 1
1662 1 65 PHE QD 1 66 GLN HA . . 4.080 2.648 2.497 2.816 . 0 0 "[ . 1 . 2]" 1
1663 1 65 PHE QD 1 66 GLN QE . . 5.130 2.847 2.397 3.557 . 0 0 "[ . 1 . 2]" 1
1664 1 65 PHE QD 1 66 GLN HG2 . . 4.520 2.319 2.059 2.781 . 0 0 "[ . 1 . 2]" 1
1665 1 65 PHE QD 1 66 GLN QG . . 3.750 2.304 2.051 2.751 . 0 0 "[ . 1 . 2]" 1
1666 1 65 PHE QD 1 66 GLN HG3 . . 4.520 4.046 3.815 4.422 . 0 0 "[ . 1 . 2]" 1
1667 1 65 PHE QD 1 68 LEU MD1 . . 3.970 3.105 2.684 3.536 . 0 0 "[ . 1 . 2]" 1
1668 1 65 PHE QE 1 66 GLN HE21 . . 4.530 3.111 2.224 3.987 . 0 0 "[ . 1 . 2]" 1
1669 1 65 PHE QE 1 66 GLN QE . . 3.860 2.830 2.172 3.473 . 0 0 "[ . 1 . 2]" 1
1670 1 65 PHE QE 1 66 GLN HE22 . . 4.530 3.327 2.807 3.822 . 0 0 "[ . 1 . 2]" 1
1671 1 66 GLN H 1 66 GLN HB2 . . 3.650 2.367 2.329 2.453 . 0 0 "[ . 1 . 2]" 1
1672 1 66 GLN H 1 66 GLN QB . . 2.950 2.336 2.301 2.414 . 0 0 "[ . 1 . 2]" 1
1673 1 66 GLN H 1 66 GLN HB3 . . 3.650 3.580 3.562 3.605 . 0 0 "[ . 1 . 2]" 1
1674 1 66 GLN H 1 66 GLN HG2 . . 3.670 2.539 2.325 2.680 . 0 0 "[ . 1 . 2]" 1
1675 1 66 GLN H 1 66 GLN QG . . 3.090 2.487 2.292 2.616 . 0 0 "[ . 1 . 2]" 1
1676 1 66 GLN H 1 66 GLN HG3 . . 3.670 3.571 3.398 3.671 0.001 5 0 "[ . 1 . 2]" 1
1677 1 66 GLN H 1 67 THR H . . 3.410 2.504 2.359 2.695 . 0 0 "[ . 1 . 2]" 1
1678 1 66 GLN H 1 68 LEU H . . 4.480 4.121 3.898 4.238 . 0 0 "[ . 1 . 2]" 1
1679 1 66 GLN HA 1 66 GLN HE21 . . 5.040 3.794 3.040 4.459 . 0 0 "[ . 1 . 2]" 1
1680 1 66 GLN HA 1 66 GLN QE . . 4.330 3.513 2.929 4.026 . 0 0 "[ . 1 . 2]" 1
1681 1 66 GLN HA 1 66 GLN HE22 . . 5.040 4.173 3.640 4.586 . 0 0 "[ . 1 . 2]" 1
1682 1 66 GLN HA 1 66 GLN HG2 . . 3.920 2.718 2.598 2.931 . 0 0 "[ . 1 . 2]" 1
1683 1 66 GLN HA 1 66 GLN QG . . 3.350 2.654 2.550 2.830 . 0 0 "[ . 1 . 2]" 1
1684 1 66 GLN HA 1 66 GLN HG3 . . 3.920 3.731 3.693 3.782 . 0 0 "[ . 1 . 2]" 1
1685 1 66 GLN HA 1 68 LEU H . . 4.400 4.228 3.798 4.394 . 0 0 "[ . 1 . 2]" 1
1686 1 66 GLN QB 1 67 THR H . . 3.780 3.031 2.820 3.238 . 0 0 "[ . 1 . 2]" 1
1687 1 66 GLN HB2 1 67 THR H . . 4.340 3.151 2.918 3.378 . 0 0 "[ . 1 . 2]" 1
1688 1 66 GLN HB3 1 67 THR H . . 4.340 3.939 3.710 4.173 . 0 0 "[ . 1 . 2]" 1
1689 1 66 GLN QE 1 66 GLN QG . . 3.020 2.126 2.067 2.225 . 0 0 "[ . 1 . 2]" 1
1690 1 66 GLN HE22 1 66 GLN HG2 . . 4.060 3.482 3.436 3.598 . 0 0 "[ . 1 . 2]" 1
1691 1 66 GLN HE22 1 66 GLN HG3 . . 4.060 3.807 3.626 3.958 . 0 0 "[ . 1 . 2]" 1
1692 1 66 GLN QG 1 67 THR H . . 4.600 4.322 4.260 4.394 . 0 0 "[ . 1 . 2]" 1
1693 1 67 THR H 1 67 THR HG1 . . 3.380 2.355 1.901 3.082 . 0 0 "[ . 1 . 2]" 1
1694 1 67 THR H 1 67 THR MG . . 2.960 2.486 2.341 2.664 . 0 0 "[ . 1 . 2]" 1
1695 1 67 THR H 1 68 LEU H . . 2.900 2.335 2.151 2.500 . 0 0 "[ . 1 . 2]" 1
1696 1 67 THR H 1 68 LEU HB2 . . 5.090 4.616 4.436 4.806 . 0 0 "[ . 1 . 2]" 1
1697 1 67 THR H 1 68 LEU MD1 . . 5.220 4.873 4.512 5.122 . 0 0 "[ . 1 . 2]" 1
1698 1 67 THR H 1 68 LEU MD2 . . 4.920 4.634 4.313 4.887 . 0 0 "[ . 1 . 2]" 1
1699 1 67 THR H 1 68 LEU HG . . 3.890 3.718 3.438 3.889 . 0 0 "[ . 1 . 2]" 1
1700 1 67 THR HA 1 67 THR MG . . 2.970 2.359 2.281 2.439 . 0 0 "[ . 1 . 2]" 1
1701 1 67 THR HB 1 68 LEU H . . 4.990 3.877 3.660 4.200 . 0 0 "[ . 1 . 2]" 1
1702 1 67 THR HG1 1 68 LEU H . . 4.200 2.631 2.010 3.632 . 0 0 "[ . 1 . 2]" 1
1703 1 67 THR HG1 1 68 LEU MD2 . . 4.760 3.404 2.443 4.297 . 0 0 "[ . 1 . 2]" 1
1704 1 67 THR MG 1 68 LEU H . . 4.130 3.971 3.836 4.079 . 0 0 "[ . 1 . 2]" 1
1705 1 68 LEU H 1 68 LEU HB2 . . 3.050 2.587 2.441 2.688 . 0 0 "[ . 1 . 2]" 1
1706 1 68 LEU H 1 68 LEU HB3 . . 3.730 3.587 3.578 3.607 . 0 0 "[ . 1 . 2]" 1
1707 1 68 LEU H 1 68 LEU MD1 . . 3.720 3.582 3.364 3.718 . 0 0 "[ . 1 . 2]" 1
1708 1 68 LEU H 1 68 LEU MD2 . . 3.390 3.138 2.907 3.386 . 0 0 "[ . 1 . 2]" 1
1709 1 68 LEU H 1 68 LEU HG . . 2.900 2.108 1.948 2.368 . 0 0 "[ . 1 . 2]" 1
1710 1 68 LEU H 1 69 GLY H . . 4.690 4.592 4.537 4.639 . 0 0 "[ . 1 . 2]" 1
1711 1 68 LEU HA 1 68 LEU MD1 . . 4.250 3.877 3.812 3.936 . 0 0 "[ . 1 . 2]" 1
1712 1 68 LEU HA 1 68 LEU MD2 . . 2.960 2.086 1.975 2.289 . 0 0 "[ . 1 . 2]" 1
1713 1 68 LEU HA 1 68 LEU HG . . 3.790 3.174 3.023 3.272 . 0 0 "[ . 1 . 2]" 1
1714 1 68 LEU HA 1 69 GLY H . . 2.830 2.202 2.153 2.467 . 0 0 "[ . 1 . 2]" 1
1715 1 68 LEU HA 1 69 GLY QA . . 4.450 3.894 3.889 3.920 . 0 0 "[ . 1 . 2]" 1
1716 1 68 LEU HA 1 72 THR HG1 . . 4.980 4.760 4.543 4.980 . 0 0 "[ . 1 . 2]" 1
1717 1 68 LEU HB2 1 68 LEU MD1 . . 3.470 2.296 2.142 2.440 . 0 0 "[ . 1 . 2]" 1
1718 1 68 LEU HB2 1 68 LEU MD2 . . 3.600 3.178 3.164 3.192 . 0 0 "[ . 1 . 2]" 1
1719 1 68 LEU HB2 1 69 GLY H . . 4.290 4.022 3.392 4.220 . 0 0 "[ . 1 . 2]" 1
1720 1 68 LEU HB2 1 72 THR HG1 . . 5.450 4.640 3.740 5.115 . 0 0 "[ . 1 . 2]" 1
1721 1 68 LEU HB2 1 72 THR MG . . 4.270 3.711 3.211 4.065 . 0 0 "[ . 1 . 2]" 1
1722 1 68 LEU HB2 1 74 PHE HZ . . 5.140 3.722 3.299 4.013 . 0 0 "[ . 1 . 2]" 1
1723 1 68 LEU HB3 1 68 LEU MD1 . . 3.540 2.391 2.230 2.549 . 0 0 "[ . 1 . 2]" 1
1724 1 68 LEU HB3 1 68 LEU MD2 . . 3.280 2.314 2.181 2.391 . 0 0 "[ . 1 . 2]" 1
1725 1 68 LEU HB3 1 69 GLY H . . 3.890 3.054 2.314 3.290 . 0 0 "[ . 1 . 2]" 1
1726 1 68 LEU HB3 1 72 THR HG1 . . 4.720 3.345 2.860 3.596 . 0 0 "[ . 1 . 2]" 1
1727 1 68 LEU HB3 1 72 THR MG . . 3.820 2.417 2.018 2.712 . 0 0 "[ . 1 . 2]" 1
1728 1 68 LEU MD1 1 69 GLY H . . 5.180 4.909 4.368 5.089 . 0 0 "[ . 1 . 2]" 1
1729 1 68 LEU MD1 1 72 THR MG . . 3.340 2.144 1.947 2.583 . 0 0 "[ . 1 . 2]" 1
1730 1 68 LEU MD1 1 74 PHE QE . . 3.490 2.047 1.891 2.358 . 0 0 "[ . 1 . 2]" 1
1731 1 68 LEU MD1 1 74 PHE HZ . . 3.370 1.969 1.781 2.201 . 0 0 "[ . 1 . 2]" 1
1732 1 68 LEU MD2 1 69 GLY H . . 3.610 3.469 3.367 3.583 . 0 0 "[ . 1 . 2]" 1
1733 1 68 LEU MD2 1 72 THR HG1 . . 4.710 4.514 4.265 4.692 . 0 0 "[ . 1 . 2]" 1
1734 1 68 LEU MD2 1 74 PHE HZ . . 4.760 4.189 3.562 4.579 . 0 0 "[ . 1 . 2]" 1
1735 1 68 LEU HG 1 69 GLY H . . 5.430 5.119 4.860 5.236 . 0 0 "[ . 1 . 2]" 1
1736 1 68 LEU HG 1 72 THR MG . . 4.480 4.315 4.029 4.457 . 0 0 "[ . 1 . 2]" 1
1737 1 69 GLY H 1 70 ASP H . . 4.620 4.419 4.144 4.619 . 0 0 "[ . 1 . 2]" 1
1738 1 69 GLY H 1 72 THR HG1 . . 3.780 3.493 2.953 3.773 . 0 0 "[ . 1 . 2]" 1
1739 1 69 GLY QA 1 70 ASP H . . 2.980 2.224 2.155 2.273 . 0 0 "[ . 1 . 2]" 1
1740 1 69 GLY HA2 1 70 ASP H . . 3.450 2.709 2.206 3.001 . 0 0 "[ . 1 . 2]" 1
1741 1 69 GLY HA2 1 72 THR HG1 . . 5.020 4.798 4.581 5.019 . 0 0 "[ . 1 . 2]" 1
1742 1 69 GLY HA3 1 70 ASP H . . 3.450 2.452 2.214 3.018 . 0 0 "[ . 1 . 2]" 1
1743 1 69 GLY HA3 1 72 THR HG1 . . 5.020 3.948 3.657 4.381 . 0 0 "[ . 1 . 2]" 1
1744 1 70 ASP H 1 70 ASP HB2 . . 3.830 2.983 2.217 3.617 . 0 0 "[ . 1 . 2]" 1
1745 1 70 ASP H 1 70 ASP QB . . 3.220 2.663 2.193 2.966 . 0 0 "[ . 1 . 2]" 1
1746 1 70 ASP H 1 70 ASP HB3 . . 3.830 3.374 2.809 3.708 . 0 0 "[ . 1 . 2]" 1
1747 1 70 ASP H 1 71 ASN H . . 4.860 4.590 4.543 4.646 . 0 0 "[ . 1 . 2]" 1
1748 1 70 ASP HA 1 71 ASN H . . 2.990 2.326 2.238 2.446 . 0 0 "[ . 1 . 2]" 1
1749 1 70 ASP HA 1 71 ASN HA . . 4.530 4.462 4.424 4.513 . 0 0 "[ . 1 . 2]" 1
1750 1 70 ASP HA 1 71 ASN QD . . 4.610 4.189 3.447 4.535 . 0 0 "[ . 1 . 2]" 1
1751 1 70 ASP HA 1 72 THR H . . 4.860 3.607 3.334 3.903 . 0 0 "[ . 1 . 2]" 1
1752 1 70 ASP HA 1 72 THR HG1 . . 5.500 4.214 3.762 4.496 . 0 0 "[ . 1 . 2]" 1
1753 1 70 ASP QB 1 71 ASN H . . 3.720 2.617 2.325 2.842 . 0 0 "[ . 1 . 2]" 1
1754 1 70 ASP QB 1 71 ASN QD . . 4.010 2.430 1.908 3.155 . 0 0 "[ . 1 . 2]" 1
1755 1 70 ASP HB2 1 71 ASN H . . 4.330 3.281 2.362 4.037 . 0 0 "[ . 1 . 2]" 1
1756 1 70 ASP HB2 1 71 ASN HD21 . . 5.340 3.009 2.105 4.694 . 0 0 "[ . 1 . 2]" 1
1757 1 70 ASP HB2 1 71 ASN HD22 . . 5.340 3.341 2.067 4.689 . 0 0 "[ . 1 . 2]" 1
1758 1 70 ASP HB3 1 71 ASN H . . 4.330 3.074 2.416 3.938 . 0 0 "[ . 1 . 2]" 1
1759 1 70 ASP HB3 1 71 ASN HD21 . . 5.340 3.587 2.032 5.319 . 0 0 "[ . 1 . 2]" 1
1760 1 70 ASP HB3 1 71 ASN HD22 . . 5.340 3.897 2.763 5.039 . 0 0 "[ . 1 . 2]" 1
1761 1 71 ASN H 1 71 ASN QD . . 3.930 3.024 2.219 3.474 . 0 0 "[ . 1 . 2]" 1
1762 1 71 ASN H 1 72 THR H . . 3.410 2.765 2.567 2.925 . 0 0 "[ . 1 . 2]" 1
1763 1 71 ASN H 1 72 THR HG1 . . 4.990 4.701 4.137 4.952 . 0 0 "[ . 1 . 2]" 1
1764 1 71 ASN HA 1 72 THR H . . 3.530 2.768 2.630 2.871 . 0 0 "[ . 1 . 2]" 1
1765 1 71 ASN HA 1 72 THR HA . . 5.390 4.634 4.531 4.698 . 0 0 "[ . 1 . 2]" 1
1766 1 71 ASN QB 1 71 ASN QD . . 3.040 2.271 2.097 2.520 . 0 0 "[ . 1 . 2]" 1
1767 1 71 ASN HB2 1 72 THR H . . 4.670 4.284 4.141 4.440 . 0 0 "[ . 1 . 2]" 1
1768 1 71 ASN HB3 1 72 THR H . . 4.670 4.507 4.343 4.667 . 0 0 "[ . 1 . 2]" 1
1769 1 72 THR H 1 72 THR HB . . 3.020 2.557 2.468 2.744 . 0 0 "[ . 1 . 2]" 1
1770 1 72 THR H 1 72 THR HG1 . . 2.970 2.821 2.320 2.971 0.001 5 0 "[ . 1 . 2]" 1
1771 1 72 THR H 1 72 THR MG . . 3.920 3.785 3.763 3.828 . 0 0 "[ . 1 . 2]" 1
1772 1 72 THR H 1 73 HIS H . . 4.680 4.509 4.413 4.596 . 0 0 "[ . 1 . 2]" 1
1773 1 72 THR HA 1 72 THR HG1 . . 3.780 2.352 2.259 2.564 . 0 0 "[ . 1 . 2]" 1
1774 1 72 THR HA 1 72 THR MG . . 3.150 2.344 2.171 2.444 . 0 0 "[ . 1 . 2]" 1
1775 1 72 THR HA 1 73 HIS H . . 2.850 2.155 2.141 2.219 . 0 0 "[ . 1 . 2]" 1
1776 1 72 THR HA 1 73 HIS HB2 . . 4.570 4.324 4.258 4.387 . 0 0 "[ . 1 . 2]" 1
1777 1 72 THR HB 1 73 HIS H . . 4.590 4.159 3.901 4.286 . 0 0 "[ . 1 . 2]" 1
1778 1 72 THR HB 1 74 PHE QE . . 5.250 2.914 2.522 3.365 . 0 0 "[ . 1 . 2]" 1
1779 1 72 THR HB 1 74 PHE HZ . . 5.140 2.876 2.364 3.227 . 0 0 "[ . 1 . 2]" 1
1780 1 72 THR HG1 1 73 HIS H . . 4.970 4.381 4.229 4.632 . 0 0 "[ . 1 . 2]" 1
1781 1 72 THR MG 1 73 HIS H . . 3.250 2.630 1.945 2.910 . 0 0 "[ . 1 . 2]" 1
1782 1 72 THR MG 1 73 HIS HA . . 4.880 4.090 3.921 4.267 . 0 0 "[ . 1 . 2]" 1
1783 1 72 THR MG 1 73 HIS HB2 . . 5.100 4.125 3.644 4.538 . 0 0 "[ . 1 . 2]" 1
1784 1 72 THR MG 1 74 PHE H . . 5.290 4.696 4.304 5.019 . 0 0 "[ . 1 . 2]" 1
1785 1 72 THR MG 1 74 PHE HB2 . . 5.500 5.177 4.939 5.391 . 0 0 "[ . 1 . 2]" 1
1786 1 72 THR MG 1 74 PHE QD . . 4.400 3.495 3.250 3.760 . 0 0 "[ . 1 . 2]" 1
1787 1 72 THR MG 1 74 PHE QE . . 3.910 2.666 2.189 3.174 . 0 0 "[ . 1 . 2]" 1
1788 1 72 THR MG 1 74 PHE HZ . . 3.950 2.762 2.398 3.147 . 0 0 "[ . 1 . 2]" 1
1789 1 73 HIS H 1 73 HIS HB2 . . 3.620 2.229 2.180 2.314 . 0 0 "[ . 1 . 2]" 1
1790 1 73 HIS H 1 73 HIS HB3 . . 3.640 3.449 2.849 3.548 . 0 0 "[ . 1 . 2]" 1
1791 1 73 HIS H 1 73 HIS HD2 . . 5.160 4.952 4.768 5.137 . 0 0 "[ . 1 . 2]" 1
1792 1 73 HIS H 1 74 PHE H . . 5.170 4.563 4.425 4.626 . 0 0 "[ . 1 . 2]" 1
1793 1 73 HIS HA 1 73 HIS HD2 . . 3.950 2.784 2.169 3.126 . 0 0 "[ . 1 . 2]" 1
1794 1 73 HIS HA 1 74 PHE H . . 3.260 2.202 2.139 2.325 . 0 0 "[ . 1 . 2]" 1
1795 1 73 HIS HB3 1 74 PHE H . . 5.090 3.202 2.712 3.832 . 0 0 "[ . 1 . 2]" 1
1796 1 73 HIS HD2 1 74 PHE H . . 3.900 3.483 1.902 3.889 . 0 0 "[ . 1 . 2]" 1
1797 1 74 PHE H 1 74 PHE HB2 . . 4.090 2.656 2.515 2.817 . 0 0 "[ . 1 . 2]" 1
1798 1 74 PHE H 1 74 PHE QD . . 4.260 3.555 3.247 3.795 . 0 0 "[ . 1 . 2]" 1
1799 1 74 PHE H 1 74 PHE QE . . 5.370 5.248 5.020 5.369 . 0 0 "[ . 1 . 2]" 1
1800 1 74 PHE HA 1 74 PHE QD . . 3.840 2.337 2.044 2.756 . 0 0 "[ . 1 . 2]" 1
1801 1 74 PHE HA 1 75 MET H . . 3.180 2.411 2.369 2.419 . 0 0 "[ . 1 . 2]" 1
1802 1 74 PHE HB2 1 75 MET H . . 4.000 3.657 3.617 3.735 . 0 0 "[ . 1 . 2]" 1
1803 1 74 PHE HB3 1 75 MET H . . 3.580 2.415 2.397 2.521 . 0 0 "[ . 1 . 2]" 1
1804 1 74 PHE HB3 1 75 MET HA . . 5.320 4.392 4.321 4.517 . 0 0 "[ . 1 . 2]" 1
1805 1 74 PHE QD 1 75 MET H . . 4.380 3.520 3.382 3.709 . 0 0 "[ . 1 . 2]" 1
1806 1 75 MET H 1 75 MET HB2 . . 3.890 3.388 3.307 3.477 . 0 0 "[ . 1 . 2]" 1
1807 1 75 MET H 1 75 MET HB3 . . 3.770 2.591 2.530 2.638 . 0 0 "[ . 1 . 2]" 1
1808 1 75 MET H 1 75 MET HG2 . . 5.500 4.495 4.148 4.901 . 0 0 "[ . 1 . 2]" 1
1809 1 75 MET H 1 75 MET QG . . 4.660 3.912 3.771 4.029 . 0 0 "[ . 1 . 2]" 1
1810 1 75 MET H 1 75 MET HG3 . . 5.500 4.395 3.969 4.680 . 0 0 "[ . 1 . 2]" 1
1811 1 75 MET H 1 76 ILE H . . 4.900 4.267 4.211 4.348 . 0 0 "[ . 1 . 2]" 1
1812 1 75 MET HA 1 75 MET ME . . 4.060 3.411 3.191 3.731 . 0 0 "[ . 1 . 2]" 1
1813 1 75 MET HA 1 75 MET HG2 . . 4.070 3.680 3.377 3.956 . 0 0 "[ . 1 . 2]" 1
1814 1 75 MET HA 1 75 MET HG3 . . 4.070 2.984 2.627 3.405 . 0 0 "[ . 1 . 2]" 1
1815 1 75 MET HA 1 76 ILE H . . 2.950 2.151 2.142 2.175 . 0 0 "[ . 1 . 2]" 1
1816 1 75 MET HA 1 76 ILE HB . . 4.890 4.372 4.301 4.529 . 0 0 "[ . 1 . 2]" 1
1817 1 75 MET HA 1 76 ILE MG . . 4.260 4.071 3.809 4.173 . 0 0 "[ . 1 . 2]" 1
1818 1 75 MET HB2 1 75 MET ME . . 2.720 2.339 1.997 2.644 . 0 0 "[ . 1 . 2]" 1
1819 1 75 MET HB2 1 76 ILE H . . 4.400 4.077 3.946 4.185 . 0 0 "[ . 1 . 2]" 1
1820 1 75 MET HB2 1 83 TRP HD1 . . 4.830 3.107 2.737 3.463 . 0 0 "[ . 1 . 2]" 1
1821 1 75 MET HB2 1 83 TRP HE1 . . 5.500 4.393 3.741 5.033 . 0 0 "[ . 1 . 2]" 1
1822 1 75 MET HB3 1 75 MET ME . . 3.730 3.541 3.360 3.705 . 0 0 "[ . 1 . 2]" 1
1823 1 75 MET HB3 1 76 ILE H . . 4.480 4.350 4.269 4.420 . 0 0 "[ . 1 . 2]" 1
1824 1 75 MET HB3 1 83 TRP HD1 . . 4.660 2.643 2.320 3.025 . 0 0 "[ . 1 . 2]" 1
1825 1 75 MET HB3 1 83 TRP HE1 . . 5.020 4.533 4.105 5.024 0.004 8 0 "[ . 1 . 2]" 1
1826 1 75 MET ME 1 76 ILE H . . 4.530 4.182 3.888 4.429 . 0 0 "[ . 1 . 2]" 1
1827 1 75 MET ME 1 77 LEU MD1 . . 5.050 4.690 4.363 4.998 . 0 0 "[ . 1 . 2]" 1
1828 1 75 MET ME 1 77 LEU MD2 . . 3.490 3.261 3.018 3.454 . 0 0 "[ . 1 . 2]" 1
1829 1 75 MET ME 1 83 TRP HA . . 3.900 3.602 3.178 3.902 0.002 16 0 "[ . 1 . 2]" 1
1830 1 75 MET ME 1 83 TRP HD1 . . 3.550 3.332 3.075 3.552 0.002 20 0 "[ . 1 . 2]" 1
1831 1 75 MET ME 1 83 TRP HE1 . . 4.280 4.110 3.796 4.285 0.005 17 0 "[ . 1 . 2]" 1
1832 1 75 MET ME 1 84 MET H . . 3.540 3.065 2.598 3.542 0.002 2 0 "[ . 1 . 2]" 1
1833 1 75 MET QG 1 76 ILE H . . 3.720 2.992 2.514 3.458 . 0 0 "[ . 1 . 2]" 1
1834 1 75 MET QG 1 77 LEU MD2 . . 3.490 2.257 1.928 2.695 . 0 0 "[ . 1 . 2]" 1
1835 1 75 MET QG 1 77 LEU HG . . 4.530 2.365 2.103 2.675 . 0 0 "[ . 1 . 2]" 1
1836 1 75 MET HG2 1 77 LEU MD2 . . 4.310 2.527 2.043 3.156 . 0 0 "[ . 1 . 2]" 1
1837 1 75 MET HG3 1 77 LEU MD2 . . 4.310 2.611 2.202 2.947 . 0 0 "[ . 1 . 2]" 1
1838 1 76 ILE H 1 76 ILE HB . . 3.570 2.669 2.585 2.807 . 0 0 "[ . 1 . 2]" 1
1839 1 76 ILE H 1 76 ILE MD . . 4.450 4.175 4.036 4.319 . 0 0 "[ . 1 . 2]" 1
1840 1 76 ILE H 1 76 ILE HG12 . . 5.110 4.799 4.741 4.827 . 0 0 "[ . 1 . 2]" 1
1841 1 76 ILE H 1 76 ILE HG13 . . 4.700 4.487 4.424 4.514 . 0 0 "[ . 1 . 2]" 1
1842 1 76 ILE H 1 76 ILE MG . . 2.940 2.227 1.970 2.334 . 0 0 "[ . 1 . 2]" 1
1843 1 76 ILE H 1 77 LEU H . . 4.560 4.449 4.399 4.527 . 0 0 "[ . 1 . 2]" 1
1844 1 76 ILE HA 1 76 ILE MD . . 3.340 2.433 2.247 2.566 . 0 0 "[ . 1 . 2]" 1
1845 1 76 ILE HA 1 76 ILE HG12 . . 3.900 3.635 3.597 3.721 . 0 0 "[ . 1 . 2]" 1
1846 1 76 ILE HA 1 76 ILE HG13 . . 3.460 2.482 2.391 2.642 . 0 0 "[ . 1 . 2]" 1
1847 1 76 ILE HA 1 76 ILE MG . . 3.660 3.178 3.167 3.190 . 0 0 "[ . 1 . 2]" 1
1848 1 76 ILE HA 1 77 LEU H . . 2.800 2.156 2.142 2.202 . 0 0 "[ . 1 . 2]" 1
1849 1 76 ILE HA 1 77 LEU HB2 . . 5.500 4.657 4.586 4.731 . 0 0 "[ . 1 . 2]" 1
1850 1 76 ILE HA 1 77 LEU HG . . 4.440 3.711 3.554 3.953 . 0 0 "[ . 1 . 2]" 1
1851 1 76 ILE HB 1 76 ILE MD . . 3.400 2.174 2.084 2.281 . 0 0 "[ . 1 . 2]" 1
1852 1 76 ILE HB 1 77 LEU H . . 4.410 4.327 4.158 4.394 . 0 0 "[ . 1 . 2]" 1
1853 1 76 ILE MD 1 77 LEU H . . 3.700 3.383 2.960 3.614 . 0 0 "[ . 1 . 2]" 1
1854 1 76 ILE HG12 1 76 ILE MG . . 3.340 2.194 2.075 2.246 . 0 0 "[ . 1 . 2]" 1
1855 1 76 ILE HG12 1 77 LEU H . . 4.350 4.222 3.913 4.352 0.002 14 0 "[ . 1 . 2]" 1
1856 1 76 ILE HG13 1 76 ILE MG . . 3.640 2.625 2.574 2.656 . 0 0 "[ . 1 . 2]" 1
1857 1 76 ILE HG13 1 77 LEU H . . 3.260 2.525 2.182 2.663 . 0 0 "[ . 1 . 2]" 1
1858 1 76 ILE MG 1 77 LEU H . . 4.020 3.736 3.571 3.899 . 0 0 "[ . 1 . 2]" 1
1859 1 77 LEU H 1 77 LEU HB2 . . 3.470 2.695 2.582 2.804 . 0 0 "[ . 1 . 2]" 1
1860 1 77 LEU H 1 77 LEU MD1 . . 4.700 3.951 3.795 4.126 . 0 0 "[ . 1 . 2]" 1
1861 1 77 LEU H 1 77 LEU MD2 . . 4.070 3.710 3.484 3.958 . 0 0 "[ . 1 . 2]" 1
1862 1 77 LEU H 1 77 LEU HG . . 3.490 2.801 2.672 2.978 . 0 0 "[ . 1 . 2]" 1
1863 1 77 LEU H 1 78 GLU H . . 4.660 4.353 4.193 4.463 . 0 0 "[ . 1 . 2]" 1
1864 1 77 LEU HA 1 77 LEU MD2 . . 3.210 2.189 1.953 2.474 . 0 0 "[ . 1 . 2]" 1
1865 1 77 LEU HA 1 78 GLU H . . 3.110 2.166 2.140 2.212 . 0 0 "[ . 1 . 2]" 1
1866 1 77 LEU HA 1 81 GLN HB2 . . 4.410 3.054 2.806 3.248 . 0 0 "[ . 1 . 2]" 1
1867 1 77 LEU HB2 1 77 LEU MD1 . . 3.480 2.320 2.088 2.429 . 0 0 "[ . 1 . 2]" 1
1868 1 77 LEU HB2 1 77 LEU MD2 . . 3.530 3.182 3.161 3.191 . 0 0 "[ . 1 . 2]" 1
1869 1 77 LEU HB2 1 78 GLU H . . 5.050 4.081 3.895 4.232 . 0 0 "[ . 1 . 2]" 1
1870 1 77 LEU HB2 1 81 GLN HB2 . . 4.750 3.878 3.515 4.169 . 0 0 "[ . 1 . 2]" 1
1871 1 77 LEU HB3 1 77 LEU MD1 . . 3.500 2.361 2.237 2.533 . 0 0 "[ . 1 . 2]" 1
1872 1 77 LEU HB3 1 77 LEU MD2 . . 3.320 2.293 2.140 2.472 . 0 0 "[ . 1 . 2]" 1
1873 1 77 LEU HB3 1 78 GLU H . . 4.670 3.225 2.979 3.558 . 0 0 "[ . 1 . 2]" 1
1874 1 77 LEU HB3 1 81 GLN H . . 4.100 3.744 3.524 4.097 . 0 0 "[ . 1 . 2]" 1
1875 1 77 LEU HB3 1 81 GLN HB2 . . 4.440 2.288 2.002 2.660 . 0 0 "[ . 1 . 2]" 1
1876 1 77 LEU MD1 1 81 GLN H . . 5.060 4.593 4.363 5.020 . 0 0 "[ . 1 . 2]" 1
1877 1 77 LEU MD1 1 82 LYS H . . 4.640 3.831 3.584 4.157 . 0 0 "[ . 1 . 2]" 1
1878 1 77 LEU MD1 1 83 TRP H . . 3.280 2.396 2.233 2.592 . 0 0 "[ . 1 . 2]" 1
1879 1 77 LEU MD1 1 83 TRP HA . . 4.280 2.657 2.424 2.847 . 0 0 "[ . 1 . 2]" 1
1880 1 77 LEU MD1 1 83 TRP HB2 . . 4.340 2.435 1.997 2.718 . 0 0 "[ . 1 . 2]" 1
1881 1 77 LEU MD1 1 83 TRP QB . . 3.660 2.367 1.965 2.621 . 0 0 "[ . 1 . 2]" 1
1882 1 77 LEU MD1 1 83 TRP HB3 . . 4.340 3.231 2.870 3.457 . 0 0 "[ . 1 . 2]" 1
1883 1 77 LEU MD1 1 84 MET H . . 4.890 4.684 4.447 4.851 . 0 0 "[ . 1 . 2]" 1
1884 1 77 LEU MD2 1 78 GLU H . . 3.960 3.733 3.536 3.960 . 0 0 "[ . 1 . 2]" 1
1885 1 77 LEU MD2 1 81 GLN H . . 5.260 4.955 4.632 5.261 0.001 19 0 "[ . 1 . 2]" 1
1886 1 77 LEU MD2 1 81 GLN HA . . 4.720 4.394 3.938 4.661 . 0 0 "[ . 1 . 2]" 1
1887 1 77 LEU MD2 1 81 GLN HB2 . . 3.790 3.107 2.738 3.510 . 0 0 "[ . 1 . 2]" 1
1888 1 77 LEU MD2 1 81 GLN HB3 . . 4.110 2.540 2.080 2.936 . 0 0 "[ . 1 . 2]" 1
1889 1 77 LEU MD2 1 82 LYS H . . 3.880 3.424 3.091 3.804 . 0 0 "[ . 1 . 2]" 1
1890 1 77 LEU MD2 1 83 TRP H . . 3.810 3.680 3.506 3.805 . 0 0 "[ . 1 . 2]" 1
1891 1 77 LEU MD2 1 83 TRP HA . . 3.640 2.425 1.965 2.734 . 0 0 "[ . 1 . 2]" 1
1892 1 77 LEU MD2 1 83 TRP QB . . 4.160 3.326 2.978 3.670 . 0 0 "[ . 1 . 2]" 1
1893 1 77 LEU MD2 1 83 TRP HD1 . . 4.770 4.424 4.059 4.714 . 0 0 "[ . 1 . 2]" 1
1894 1 77 LEU MD2 1 84 MET H . . 4.300 4.112 3.622 4.297 . 0 0 "[ . 1 . 2]" 1
1895 1 77 LEU HG 1 83 TRP HA . . 5.120 4.391 3.977 4.764 . 0 0 "[ . 1 . 2]" 1
1896 1 78 GLU H 1 78 GLU HB2 . . 3.480 2.427 2.252 2.551 . 0 0 "[ . 1 . 2]" 1
1897 1 78 GLU H 1 78 GLU HG2 . . 4.200 3.897 3.618 4.141 . 0 0 "[ . 1 . 2]" 1
1898 1 78 GLU H 1 78 GLU QG . . 3.360 2.705 2.134 3.306 . 0 0 "[ . 1 . 2]" 1
1899 1 78 GLU H 1 78 GLU HG3 . . 4.200 2.783 2.149 3.476 . 0 0 "[ . 1 . 2]" 1
1900 1 78 GLU H 1 81 GLN HB2 . . 3.450 2.433 1.899 2.802 . 0 0 "[ . 1 . 2]" 1
1901 1 78 GLU H 1 81 GLN HB3 . . 4.000 3.660 3.142 3.960 . 0 0 "[ . 1 . 2]" 1
1902 1 78 GLU H 1 81 GLN HE21 . . 5.070 2.253 1.798 4.205 . 0 0 "[ . 1 . 2]" 1
1903 1 78 GLU H 1 81 GLN HE22 . . 5.150 3.478 3.190 4.384 . 0 0 "[ . 1 . 2]" 1
1904 1 78 GLU H 1 81 GLN HG2 . . 4.920 4.526 4.233 4.776 . 0 0 "[ . 1 . 2]" 1
1905 1 78 GLU H 1 81 GLN HG3 . . 5.420 3.154 2.960 3.454 . 0 0 "[ . 1 . 2]" 1
1906 1 78 GLU HA 1 78 GLU HG2 . . 3.700 3.053 2.571 3.659 . 0 0 "[ . 1 . 2]" 1
1907 1 78 GLU HA 1 78 GLU QG . . 3.210 2.419 2.254 2.538 . 0 0 "[ . 1 . 2]" 1
1908 1 78 GLU HA 1 78 GLU HG3 . . 3.700 2.630 2.281 2.864 . 0 0 "[ . 1 . 2]" 1
1909 1 78 GLU HA 1 79 LYS H . . 2.870 2.521 2.450 2.545 . 0 0 "[ . 1 . 2]" 1
1910 1 78 GLU HA 1 79 LYS HB2 . . 5.230 4.708 4.552 4.798 . 0 0 "[ . 1 . 2]" 1
1911 1 78 GLU HA 1 79 LYS QB . . 4.560 4.324 4.284 4.352 . 0 0 "[ . 1 . 2]" 1
1912 1 78 GLU HA 1 79 LYS HB3 . . 5.230 5.048 4.917 5.220 . 0 0 "[ . 1 . 2]" 1
1913 1 78 GLU HB2 1 79 LYS H . . 3.580 3.423 3.285 3.576 . 0 0 "[ . 1 . 2]" 1
1914 1 78 GLU HB2 1 81 GLN H . . 5.210 4.966 4.237 5.212 0.002 18 0 "[ . 1 . 2]" 1
1915 1 78 GLU HB2 1 81 GLN HE21 . . 4.520 2.950 1.902 4.525 0.005 11 0 "[ . 1 . 2]" 1
1916 1 78 GLU HB2 1 81 GLN HE22 . . 4.720 3.961 3.520 4.451 . 0 0 "[ . 1 . 2]" 1
1917 1 78 GLU HB2 1 81 GLN HG2 . . 4.690 4.307 3.598 4.647 . 0 0 "[ . 1 . 2]" 1
1918 1 78 GLU HB2 1 81 GLN HG3 . . 4.900 2.627 2.005 2.942 . 0 0 "[ . 1 . 2]" 1
1919 1 78 GLU HB3 1 79 LYS H . . 3.080 2.178 2.118 2.317 . 0 0 "[ . 1 . 2]" 1
1920 1 78 GLU HB3 1 79 LYS HA . . 4.810 4.669 4.540 4.752 . 0 0 "[ . 1 . 2]" 1
1921 1 78 GLU QG 1 79 LYS H . . 3.860 3.687 3.359 3.836 . 0 0 "[ . 1 . 2]" 1
1922 1 78 GLU HG2 1 79 LYS H . . 4.640 4.044 3.482 4.456 . 0 0 "[ . 1 . 2]" 1
1923 1 78 GLU HG3 1 79 LYS H . . 4.640 4.369 3.864 4.640 0.000 10 0 "[ . 1 . 2]" 1
1924 1 79 LYS H 1 79 LYS HB2 . . 3.000 2.516 2.351 2.671 . 0 0 "[ . 1 . 2]" 1
1925 1 79 LYS H 1 79 LYS HB3 . . 3.000 2.533 2.385 2.710 . 0 0 "[ . 1 . 2]" 1
1926 1 79 LYS H 1 79 LYS HG2 . . 4.890 4.471 4.330 4.596 . 0 0 "[ . 1 . 2]" 1
1927 1 79 LYS H 1 79 LYS QG . . 4.280 3.972 3.928 4.014 . 0 0 "[ . 1 . 2]" 1
1928 1 79 LYS H 1 79 LYS HG3 . . 4.890 4.454 4.354 4.563 . 0 0 "[ . 1 . 2]" 1
1929 1 79 LYS HA 1 79 LYS QD . . 4.290 3.698 2.074 4.262 . 0 0 "[ . 1 . 2]" 1
1930 1 79 LYS HA 1 79 LYS HG2 . . 3.830 3.161 2.276 3.841 0.011 8 0 "[ . 1 . 2]" 1
1931 1 79 LYS HA 1 79 LYS QG . . 3.220 2.559 2.249 2.919 . 0 0 "[ . 1 . 2]" 1
1932 1 79 LYS HA 1 79 LYS HG3 . . 3.830 2.800 2.404 3.502 . 0 0 "[ . 1 . 2]" 1
1933 1 79 LYS HA 1 81 GLN H . . 4.230 4.112 3.893 4.233 0.003 19 0 "[ . 1 . 2]" 1
1934 1 79 LYS QB 1 80 GLY QA . . 5.180 4.290 3.775 4.417 . 0 0 "[ . 1 . 2]" 1
1935 1 79 LYS QE 1 79 LYS HG2 . . 3.590 3.013 2.092 3.493 . 0 0 "[ . 1 . 2]" 1
1936 1 79 LYS QE 1 79 LYS QG . . 3.100 2.246 2.067 2.625 . 0 0 "[ . 1 . 2]" 1
1937 1 79 LYS QE 1 79 LYS HG3 . . 3.590 2.480 2.097 3.423 . 0 0 "[ . 1 . 2]" 1
1938 1 79 LYS QG 1 80 GLY QA . . 4.270 3.651 3.409 4.278 0.008 16 0 "[ . 1 . 2]" 1
1939 1 80 GLY H 1 81 GLN H . . 4.360 2.070 1.814 3.191 . 0 0 "[ . 1 . 2]" 1
1940 1 80 GLY QA 1 81 GLN HG3 . . 5.340 3.979 3.755 4.293 . 0 0 "[ . 1 . 2]" 1
1941 1 81 GLN H 1 81 GLN HB2 . . 3.140 2.778 2.530 2.888 . 0 0 "[ . 1 . 2]" 1
1942 1 81 GLN H 1 81 GLN HB3 . . 3.900 3.849 3.711 3.902 0.002 7 0 "[ . 1 . 2]" 1
1943 1 81 GLN H 1 81 GLN HE21 . . 5.350 5.164 4.904 5.351 0.001 10 0 "[ . 1 . 2]" 1
1944 1 81 GLN H 1 81 GLN HG2 . . 4.230 3.953 3.732 4.232 0.002 4 0 "[ . 1 . 2]" 1
1945 1 81 GLN H 1 81 GLN HG3 . . 3.700 3.510 3.243 3.699 . 0 0 "[ . 1 . 2]" 1
1946 1 81 GLN H 1 82 LYS H . . 4.470 4.377 4.272 4.477 0.007 9 0 "[ . 1 . 2]" 1
1947 1 81 GLN HA 1 81 GLN HG2 . . 3.740 2.337 2.265 2.454 . 0 0 "[ . 1 . 2]" 1
1948 1 81 GLN HA 1 81 GLN HG3 . . 3.470 3.319 2.965 3.402 . 0 0 "[ . 1 . 2]" 1
1949 1 81 GLN HA 1 82 LYS H . . 2.800 2.287 2.185 2.360 . 0 0 "[ . 1 . 2]" 1
1950 1 81 GLN HB2 1 82 LYS H . . 4.110 3.911 3.763 4.111 0.001 11 0 "[ . 1 . 2]" 1
1951 1 81 GLN HB3 1 82 LYS H . . 3.440 2.738 2.529 3.077 . 0 0 "[ . 1 . 2]" 1
1952 1 81 GLN HE22 1 81 GLN HG3 . . 4.050 3.657 3.439 4.095 0.045 9 0 "[ . 1 . 2]" 1
1953 1 81 GLN HG2 1 82 LYS H . . 4.310 4.075 3.906 4.278 . 0 0 "[ . 1 . 2]" 1
1954 1 81 GLN HG3 1 82 LYS H . . 5.260 5.061 4.885 5.246 . 0 0 "[ . 1 . 2]" 1
1955 1 82 LYS H 1 82 LYS HB2 . . 3.880 3.771 3.682 3.846 . 0 0 "[ . 1 . 2]" 1
1956 1 82 LYS H 1 82 LYS HB3 . . 3.470 3.160 2.909 3.350 . 0 0 "[ . 1 . 2]" 1
1957 1 82 LYS H 1 82 LYS QD . . 4.790 3.726 1.890 4.273 . 0 0 "[ . 1 . 2]" 1
1958 1 82 LYS H 1 82 LYS QE . . 4.690 4.360 3.532 4.690 . 15 0 "[ . 1 . 2]" 1
1959 1 82 LYS H 1 82 LYS HG2 . . 3.790 2.536 2.013 3.662 . 0 0 "[ . 1 . 2]" 1
1960 1 82 LYS H 1 82 LYS QG . . 3.280 2.094 1.898 2.403 . 0 0 "[ . 1 . 2]" 1
1961 1 82 LYS H 1 82 LYS HG3 . . 3.790 2.845 1.907 3.790 . 0 0 "[ . 1 . 2]" 1
1962 1 82 LYS H 1 83 TRP H . . 4.540 4.474 4.428 4.536 . 0 0 "[ . 1 . 2]" 1
1963 1 82 LYS HA 1 83 TRP HB2 . . 5.280 4.748 4.705 4.805 . 0 0 "[ . 1 . 2]" 1
1964 1 82 LYS HA 1 83 TRP QB . . 4.630 4.165 4.136 4.195 . 0 0 "[ . 1 . 2]" 1
1965 1 82 LYS HA 1 83 TRP HB3 . . 5.280 4.611 4.534 4.682 . 0 0 "[ . 1 . 2]" 1
1966 1 82 LYS HB2 1 82 LYS QE . . 4.780 3.586 2.087 4.201 . 0 0 "[ . 1 . 2]" 1
1967 1 82 LYS HB2 1 83 TRP H . . 3.460 2.383 2.220 2.628 . 0 0 "[ . 1 . 2]" 1
1968 1 82 LYS HB2 1 84 MET HG2 . . 5.090 4.939 4.620 5.087 . 0 0 "[ . 1 . 2]" 1
1969 1 82 LYS HB3 1 83 TRP H . . 3.930 3.712 3.586 3.875 . 0 0 "[ . 1 . 2]" 1
1970 1 82 LYS QD 1 83 TRP H . . 5.120 4.168 3.152 4.910 . 0 0 "[ . 1 . 2]" 1
1971 1 82 LYS QE 1 82 LYS HG2 . . 3.730 2.520 2.207 3.273 . 0 0 "[ . 1 . 2]" 1
1972 1 82 LYS QE 1 82 LYS HG3 . . 3.730 2.563 2.197 3.400 . 0 0 "[ . 1 . 2]" 1
1973 1 82 LYS QE 1 84 MET ME . . 3.860 3.299 1.903 3.855 . 0 0 "[ . 1 . 2]" 1
1974 1 82 LYS QE 1 84 MET HG2 . . 4.440 3.202 1.984 4.285 . 0 0 "[ . 1 . 2]" 1
1975 1 82 LYS QE 1 84 MET HG3 . . 5.130 4.105 3.080 4.963 . 0 0 "[ . 1 . 2]" 1
1976 1 82 LYS QG 1 83 TRP H . . 4.310 3.699 3.362 4.233 . 0 0 "[ . 1 . 2]" 1
1977 1 82 LYS QG 1 84 MET HG2 . . 4.540 3.404 2.929 4.531 . 0 0 "[ . 1 . 2]" 1
1978 1 82 LYS HG2 1 83 TRP H . . 4.910 4.647 3.942 4.891 . 0 0 "[ . 1 . 2]" 1
1979 1 82 LYS HG2 1 84 MET HG2 . . 5.330 4.669 3.416 5.162 . 0 0 "[ . 1 . 2]" 1
1980 1 82 LYS HG2 1 84 MET HG3 . . 5.500 4.805 3.529 5.493 . 0 0 "[ . 1 . 2]" 1
1981 1 82 LYS HG3 1 83 TRP H . . 4.910 3.922 3.473 4.635 . 0 0 "[ . 1 . 2]" 1
1982 1 82 LYS HG3 1 84 MET HG2 . . 5.330 3.575 2.977 5.016 . 0 0 "[ . 1 . 2]" 1
1983 1 82 LYS HG3 1 84 MET HG3 . . 5.500 3.828 3.296 4.801 . 0 0 "[ . 1 . 2]" 1
1984 1 83 TRP H 1 83 TRP HB2 . . 3.140 2.927 2.797 3.040 . 0 0 "[ . 1 . 2]" 1
1985 1 83 TRP H 1 83 TRP QB . . 2.740 2.207 2.184 2.241 . 0 0 "[ . 1 . 2]" 1
1986 1 83 TRP H 1 83 TRP HB3 . . 3.140 2.284 2.251 2.320 . 0 0 "[ . 1 . 2]" 1
1987 1 83 TRP H 1 83 TRP HD1 . . 5.480 5.346 5.246 5.420 . 0 0 "[ . 1 . 2]" 1
1988 1 83 TRP H 1 84 MET H . . 4.620 4.604 4.579 4.624 0.004 7 0 "[ . 1 . 2]" 1
1989 1 83 TRP HA 1 83 TRP HD1 . . 3.970 3.564 3.469 3.651 . 0 0 "[ . 1 . 2]" 1
1990 1 83 TRP HA 1 83 TRP HE1 . . 5.500 5.404 5.329 5.471 . 0 0 "[ . 1 . 2]" 1
1991 1 83 TRP HA 1 84 MET H . . 2.500 2.278 2.229 2.341 . 0 0 "[ . 1 . 2]" 1
1992 1 83 TRP HA 1 84 MET HB2 . . 5.500 4.501 4.391 4.617 . 0 0 "[ . 1 . 2]" 1
1993 1 83 TRP HA 1 84 MET HG2 . . 5.270 4.495 4.240 4.724 . 0 0 "[ . 1 . 2]" 1
1994 1 83 TRP HA 1 84 MET HG3 . . 4.220 3.836 3.698 3.969 . 0 0 "[ . 1 . 2]" 1
1995 1 83 TRP QB 1 83 TRP HE3 . . 3.640 2.690 2.648 2.731 . 0 0 "[ . 1 . 2]" 1
1996 1 83 TRP QB 1 84 MET H . . 3.590 3.465 3.370 3.546 . 0 0 "[ . 1 . 2]" 1
1997 1 83 TRP HB2 1 84 MET H . . 4.140 3.775 3.666 3.866 . 0 0 "[ . 1 . 2]" 1
1998 1 83 TRP HB3 1 84 MET H . . 4.140 4.033 3.912 4.124 . 0 0 "[ . 1 . 2]" 1
1999 1 83 TRP HD1 1 84 MET H . . 4.040 3.622 3.378 3.780 . 0 0 "[ . 1 . 2]" 1
2000 1 83 TRP HE1 1 85 PRO HA . . 4.760 4.175 4.003 4.375 . 0 0 "[ . 1 . 2]" 1
2001 1 83 TRP HE3 1 84 MET H . . 4.510 4.060 3.921 4.182 . 0 0 "[ . 1 . 2]" 1
2002 1 83 TRP HE3 1 84 MET HA . . 4.130 3.163 3.022 3.276 . 0 0 "[ . 1 . 2]" 1
2003 1 83 TRP HE3 1 84 MET HG2 . . 5.500 4.629 4.378 4.896 . 0 0 "[ . 1 . 2]" 1
2004 1 83 TRP HE3 1 85 PRO HD3 . . 5.190 3.651 3.583 3.680 . 0 0 "[ . 1 . 2]" 1
2005 1 83 TRP HH2 1 85 PRO HA . . 4.010 2.971 2.722 3.141 . 0 0 "[ . 1 . 2]" 1
2006 1 83 TRP HH2 1 85 PRO HB2 . . 4.380 3.824 3.712 3.987 . 0 0 "[ . 1 . 2]" 1
2007 1 83 TRP HH2 1 85 PRO HB3 . . 3.810 2.081 2.000 2.236 . 0 0 "[ . 1 . 2]" 1
2008 1 83 TRP HH2 1 85 PRO HD3 . . 5.140 3.063 2.773 3.246 . 0 0 "[ . 1 . 2]" 1
2009 1 83 TRP HH2 1 85 PRO HG2 . . 4.910 4.645 4.439 4.804 . 0 0 "[ . 1 . 2]" 1
2010 1 83 TRP HH2 1 85 PRO HG3 . . 4.000 3.564 3.300 3.699 . 0 0 "[ . 1 . 2]" 1
2011 1 83 TRP HH2 1 86 SER H . . 5.070 4.852 4.628 5.035 . 0 0 "[ . 1 . 2]" 1
2012 1 83 TRP HZ2 1 85 PRO HA . . 3.560 2.360 2.173 2.596 . 0 0 "[ . 1 . 2]" 1
2013 1 83 TRP HZ2 1 85 PRO HB2 . . 5.500 4.568 4.370 4.764 . 0 0 "[ . 1 . 2]" 1
2014 1 83 TRP HZ2 1 85 PRO HB3 . . 4.560 3.380 3.119 3.516 . 0 0 "[ . 1 . 2]" 1
2015 1 83 TRP HZ2 1 85 PRO HG3 . . 5.500 5.383 5.091 5.502 0.002 8 0 "[ . 1 . 2]" 1
2016 1 83 TRP HZ2 1 86 SER H . . 4.610 4.401 4.191 4.609 . 0 0 "[ . 1 . 2]" 1
2017 1 83 TRP HZ3 1 85 PRO HB3 . . 5.500 3.806 3.667 3.993 . 0 0 "[ . 1 . 2]" 1
2018 1 83 TRP HZ3 1 85 PRO HD2 . . 4.550 4.138 3.955 4.264 . 0 0 "[ . 1 . 2]" 1
2019 1 83 TRP HZ3 1 85 PRO HD3 . . 4.160 2.404 2.238 2.507 . 0 0 "[ . 1 . 2]" 1
2020 1 83 TRP HZ3 1 85 PRO HG2 . . 5.180 5.129 5.010 5.182 0.002 17 0 "[ . 1 . 2]" 1
2021 1 83 TRP HZ3 1 85 PRO HG3 . . 4.290 3.862 3.762 3.908 . 0 0 "[ . 1 . 2]" 1
2022 1 84 MET H 1 84 MET HB2 . . 3.240 2.769 2.678 2.854 . 0 0 "[ . 1 . 2]" 1
2023 1 84 MET H 1 84 MET HB3 . . 4.090 3.850 3.801 3.887 . 0 0 "[ . 1 . 2]" 1
2024 1 84 MET H 1 84 MET ME . . 5.110 5.076 4.978 5.107 . 0 0 "[ . 1 . 2]" 1
2025 1 84 MET H 1 84 MET HG2 . . 3.910 3.762 3.559 3.886 . 0 0 "[ . 1 . 2]" 1
2026 1 84 MET H 1 84 MET HG3 . . 4.120 3.281 3.060 3.519 . 0 0 "[ . 1 . 2]" 1
2027 1 84 MET HA 1 84 MET ME . . 3.780 3.197 3.059 3.446 . 0 0 "[ . 1 . 2]" 1
2028 1 84 MET HA 1 84 MET HG2 . . 3.520 2.415 2.341 2.504 . 0 0 "[ . 1 . 2]" 1
2029 1 84 MET HA 1 85 PRO HD2 . . 3.140 2.257 2.248 2.283 . 0 0 "[ . 1 . 2]" 1
2030 1 84 MET HA 1 85 PRO HD3 . . 3.040 2.260 2.258 2.265 . 0 0 "[ . 1 . 2]" 1
2031 1 84 MET HA 1 85 PRO HG2 . . 4.560 4.397 4.390 4.418 . 0 0 "[ . 1 . 2]" 1
2032 1 84 MET HA 1 85 PRO HG3 . . 5.090 4.394 4.389 4.407 . 0 0 "[ . 1 . 2]" 1
2033 1 84 MET HB2 1 84 MET ME . . 4.590 3.472 3.234 3.803 . 0 0 "[ . 1 . 2]" 1
2034 1 84 MET HB2 1 85 PRO HD2 . . 3.960 3.808 3.728 3.864 . 0 0 "[ . 1 . 2]" 1
2035 1 84 MET HB2 1 85 PRO HD3 . . 4.890 4.805 4.749 4.843 . 0 0 "[ . 1 . 2]" 1
2036 1 84 MET HB3 1 84 MET ME . . 4.280 2.184 1.949 2.657 . 0 0 "[ . 1 . 2]" 1
2037 1 84 MET HB3 1 85 PRO HD2 . . 3.560 2.317 2.278 2.358 . 0 0 "[ . 1 . 2]" 1
2038 1 84 MET HB3 1 85 PRO HD3 . . 3.890 3.720 3.687 3.755 . 0 0 "[ . 1 . 2]" 1
2039 1 84 MET ME 1 85 PRO HD2 . . 3.570 2.618 2.273 3.206 . 0 0 "[ . 1 . 2]" 1
2040 1 84 MET HG2 1 85 PRO HD2 . . 4.250 3.642 3.502 3.879 . 0 0 "[ . 1 . 2]" 1
2041 1 85 PRO HA 1 86 SER H . . 2.790 2.568 2.532 2.713 . 0 0 "[ . 1 . 2]" 1
2042 1 85 PRO HA 1 86 SER QB . . 4.640 4.337 4.004 4.639 . 0 0 "[ . 1 . 2]" 1
2043 1 85 PRO HB2 1 86 SER H . . 3.520 2.223 1.923 2.300 . 0 0 "[ . 1 . 2]" 1
2044 1 85 PRO HB2 1 86 SER HA . . 4.670 4.433 4.283 4.578 . 0 0 "[ . 1 . 2]" 1
2045 1 85 PRO HB3 1 86 SER H . . 3.570 3.271 3.154 3.304 . 0 0 "[ . 1 . 2]" 1
2046 1 85 PRO HD2 1 86 SER H . . 5.500 5.438 5.281 5.473 . 0 0 "[ . 1 . 2]" 1
2047 1 85 PRO HD3 1 86 SER H . . 5.500 5.435 5.326 5.460 . 0 0 "[ . 1 . 2]" 1
2048 1 85 PRO HG3 1 86 SER H . . 4.850 4.786 4.528 4.851 0.001 19 0 "[ . 1 . 2]" 1
2049 1 86 SER H 1 86 SER HB2 . . 3.730 3.231 2.348 3.730 0.000 19 0 "[ . 1 . 2]" 1
2050 1 86 SER H 1 86 SER QB . . 3.100 2.470 2.233 2.890 . 0 0 "[ . 1 . 2]" 1
2051 1 86 SER H 1 86 SER HB3 . . 3.730 2.636 2.324 3.577 . 0 0 "[ . 1 . 2]" 1
2052 1 86 SER H 1 87 GLY H . . 4.510 3.773 1.923 4.508 . 0 0 "[ . 1 . 2]" 1
2053 1 86 SER HA 1 87 GLY H . . 3.550 2.565 2.142 3.550 . 14 0 "[ . 1 . 2]" 1
2054 1 86 SER QB 1 87 GLY H . . 3.810 3.406 2.196 3.813 0.003 11 0 "[ . 1 . 2]" 1
2055 1 86 SER HB2 1 87 GLY H . . 4.510 3.834 2.215 4.520 0.010 16 0 "[ . 1 . 2]" 1
2056 1 86 SER HB3 1 87 GLY H . . 4.510 4.052 2.838 4.496 . 0 0 "[ . 1 . 2]" 1
2057 1 87 GLY H 1 88 PRO QD . . 4.600 4.212 3.933 4.370 . 0 0 "[ . 1 . 2]" 1
2058 1 87 GLY HA2 1 88 PRO QD . . 2.950 2.235 2.010 2.646 . 0 0 "[ . 1 . 2]" 1
2059 1 87 GLY HA2 1 88 PRO QG . . 4.830 4.148 3.913 4.551 . 0 0 "[ . 1 . 2]" 1
2060 1 87 GLY HA3 1 88 PRO QD . . 2.950 2.383 1.957 2.708 . 0 0 "[ . 1 . 2]" 1
2061 1 87 GLY HA3 1 88 PRO QG . . 4.830 4.188 3.855 4.454 . 0 0 "[ . 1 . 2]" 1
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