NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405680 |
1x66   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x66
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 2747
_Distance_constraint_stats_list.Viol_count 2200
_Distance_constraint_stats_list.Viol_total 606.584
_Distance_constraint_stats_list.Viol_max 0.169
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 MET 0.214 0.031 19 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.005 0.004 4 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 2 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.014 0.012 4 0 "[ . 1 . 2]"
1 17 ARG 0.066 0.023 13 0 "[ . 1 . 2]"
1 18 VAL 0.905 0.108 16 0 "[ . 1 . 2]"
1 19 ILE 3.970 0.169 18 0 "[ . 1 . 2]"
1 20 VAL 4.570 0.169 18 0 "[ . 1 . 2]"
1 21 PRO 1.348 0.075 19 0 "[ . 1 . 2]"
1 22 ALA 0.679 0.045 6 0 "[ . 1 . 2]"
1 23 ASP 0.047 0.038 10 0 "[ . 1 . 2]"
1 24 PRO 1.093 0.111 9 0 "[ . 1 . 2]"
1 25 THR 1.837 0.051 13 0 "[ . 1 . 2]"
1 26 LEU 0.278 0.038 10 0 "[ . 1 . 2]"
1 27 TRP 2.214 0.111 9 0 "[ . 1 . 2]"
1 28 THR 0.212 0.020 5 0 "[ . 1 . 2]"
1 29 GLN 1.238 0.061 5 0 "[ . 1 . 2]"
1 30 GLU 0.001 0.001 8 0 "[ . 1 . 2]"
1 31 HIS 1.006 0.061 5 0 "[ . 1 . 2]"
1 32 VAL 1.969 0.069 11 0 "[ . 1 . 2]"
1 33 ARG 0.343 0.080 11 0 "[ . 1 . 2]"
1 34 GLN 0.520 0.137 1 0 "[ . 1 . 2]"
1 35 TRP 1.388 0.031 5 0 "[ . 1 . 2]"
1 36 LEU 0.346 0.014 5 0 "[ . 1 . 2]"
1 37 GLU 0.014 0.003 7 0 "[ . 1 . 2]"
1 38 TRP 0.600 0.023 2 0 "[ . 1 . 2]"
1 39 ALA 0.464 0.023 2 0 "[ . 1 . 2]"
1 40 ILE 0.302 0.014 19 0 "[ . 1 . 2]"
1 41 LYS 0.125 0.014 19 0 "[ . 1 . 2]"
1 42 GLU 0.281 0.009 13 0 "[ . 1 . 2]"
1 43 TYR 0.108 0.009 17 0 "[ . 1 . 2]"
1 44 SER 0.041 0.009 1 0 "[ . 1 . 2]"
1 45 LEU 0.474 0.020 14 0 "[ . 1 . 2]"
1 46 MET 0.035 0.011 20 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.235 0.008 18 0 "[ . 1 . 2]"
1 49 ASP 0.012 0.003 6 0 "[ . 1 . 2]"
1 50 THR 0.138 0.006 16 0 "[ . 1 . 2]"
1 51 SER 0.168 0.010 4 0 "[ . 1 . 2]"
1 52 PHE 0.068 0.013 1 0 "[ . 1 . 2]"
1 53 PHE 0.131 0.010 10 0 "[ . 1 . 2]"
1 54 GLN 0.440 0.053 1 0 "[ . 1 . 2]"
1 55 ASN 0.012 0.005 17 0 "[ . 1 . 2]"
1 56 MET 0.957 0.040 19 0 "[ . 1 . 2]"
1 57 ASP 0.587 0.032 10 0 "[ . 1 . 2]"
1 58 GLY 0.691 0.049 2 0 "[ . 1 . 2]"
1 59 LYS 0.811 0.051 13 0 "[ . 1 . 2]"
1 60 GLU 2.108 0.075 17 0 "[ . 1 . 2]"
1 61 LEU 3.482 0.111 19 0 "[ . 1 . 2]"
1 62 CYS 0.667 0.111 19 0 "[ . 1 . 2]"
1 63 LYS 1.471 0.075 17 0 "[ . 1 . 2]"
1 64 MET 1.259 0.087 9 0 "[ . 1 . 2]"
1 65 ASN 1.078 0.087 9 0 "[ . 1 . 2]"
1 66 LYS 0.118 0.015 19 0 "[ . 1 . 2]"
1 67 GLU 0.054 0.009 16 0 "[ . 1 . 2]"
1 68 ASP 0.131 0.009 19 0 "[ . 1 . 2]"
1 69 PHE 1.851 0.096 17 0 "[ . 1 . 2]"
1 70 LEU 2.269 0.096 17 0 "[ . 1 . 2]"
1 71 ARG 0.012 0.004 19 0 "[ . 1 . 2]"
1 72 ALA 0.056 0.007 7 0 "[ . 1 . 2]"
1 73 THR 0.968 0.043 12 0 "[ . 1 . 2]"
1 74 THR 0.002 0.002 19 0 "[ . 1 . 2]"
1 75 LEU 0.600 0.044 13 0 "[ . 1 . 2]"
1 76 TYR 0.751 0.040 13 0 "[ . 1 . 2]"
1 77 ASN 0.617 0.028 9 0 "[ . 1 . 2]"
1 78 THR 0.572 0.044 13 0 "[ . 1 . 2]"
1 79 GLU 0.100 0.014 3 0 "[ . 1 . 2]"
1 80 VAL 2.219 0.052 5 0 "[ . 1 . 2]"
1 81 LEU 0.621 0.027 6 0 "[ . 1 . 2]"
1 82 LEU 0.998 0.041 7 0 "[ . 1 . 2]"
1 83 SER 0.123 0.017 6 0 "[ . 1 . 2]"
1 84 HIS 1.538 0.052 5 0 "[ . 1 . 2]"
1 85 LEU 1.261 0.044 6 0 "[ . 1 . 2]"
1 86 SER 0.016 0.003 2 0 "[ . 1 . 2]"
1 87 TYR 0.073 0.010 17 0 "[ . 1 . 2]"
1 88 LEU 1.339 0.045 6 0 "[ . 1 . 2]"
1 89 ARG 0.783 0.034 5 0 "[ . 1 . 2]"
1 90 GLU 0.019 0.017 15 0 "[ . 1 . 2]"
1 91 SER 0.012 0.008 17 0 "[ . 1 . 2]"
1 92 SER 0.005 0.004 15 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 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 7 GLY QA 1 8 PRO QD . . 3.030 2.044 2.000 2.173 . 0 0 "[ . 1 . 2]" 1
2 1 8 PRO HA 1 9 PRO HD2 . . 3.250 2.534 2.533 2.535 . 0 0 "[ . 1 . 2]" 1
3 1 8 PRO HA 1 9 PRO QD . . 2.820 2.174 2.173 2.175 . 0 0 "[ . 1 . 2]" 1
4 1 8 PRO HA 1 9 PRO HD3 . . 3.250 2.366 2.366 2.367 . 0 0 "[ . 1 . 2]" 1
5 1 8 PRO QB 1 9 PRO QD . . 3.270 1.999 1.998 2.000 . 0 0 "[ . 1 . 2]" 1
6 1 8 PRO HB2 1 9 PRO HD2 . . 4.910 2.080 2.078 2.081 . 0 0 "[ . 1 . 2]" 1
7 1 8 PRO HB2 1 9 PRO HD3 . . 4.910 3.518 3.517 3.519 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO HB3 1 9 PRO HD2 . . 4.910 2.725 2.724 2.726 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO HB3 1 9 PRO HD3 . . 4.910 3.774 3.773 3.775 . 0 0 "[ . 1 . 2]" 1
10 1 9 PRO HA 1 10 ASN QB . . 4.790 4.329 3.828 4.700 . 0 0 "[ . 1 . 2]" 1
11 1 11 MET HA 1 11 MET ME . . 4.910 4.467 4.064 4.895 . 0 0 "[ . 1 . 2]" 1
12 1 11 MET HA 1 11 MET QG . . 3.520 2.478 2.018 3.352 . 0 0 "[ . 1 . 2]" 1
13 1 11 MET QB 1 13 THR MG . . 5.340 4.164 3.056 5.274 . 0 0 "[ . 1 . 2]" 1
14 1 11 MET ME 1 13 THR MG . . 5.300 4.487 2.535 5.298 . 0 0 "[ . 1 . 2]" 1
15 1 11 MET ME 1 18 VAL HA . . 5.020 3.365 2.392 4.944 . 0 0 "[ . 1 . 2]" 1
16 1 11 MET ME 1 18 VAL MG1 . . 4.710 2.638 1.829 3.590 . 0 0 "[ . 1 . 2]" 1
17 1 11 MET ME 1 18 VAL QG . . 3.830 2.147 1.640 3.243 . 0 0 "[ . 1 . 2]" 1
18 1 11 MET ME 1 18 VAL MG2 . . 4.710 2.407 1.794 3.801 . 0 0 "[ . 1 . 2]" 1
19 1 11 MET ME 1 20 VAL MG1 . . 4.380 3.997 3.694 4.355 . 0 0 "[ . 1 . 2]" 1
20 1 11 MET ME 1 20 VAL MG2 . . 4.460 3.968 2.480 4.491 0.031 19 0 "[ . 1 . 2]" 1
21 1 11 MET ME 1 35 TRP HA . . 4.710 3.454 2.943 4.667 . 0 0 "[ . 1 . 2]" 1
22 1 11 MET ME 1 35 TRP HD1 . . 5.220 4.743 3.286 5.231 0.011 1 0 "[ . 1 . 2]" 1
23 1 11 MET ME 1 38 TRP HB3 . . 4.800 3.467 2.956 4.696 . 0 0 "[ . 1 . 2]" 1
24 1 11 MET QG 1 13 THR MG . . 5.340 4.323 3.108 5.338 . 0 0 "[ . 1 . 2]" 1
25 1 12 THR HA 1 12 THR MG . . 3.320 2.295 1.980 3.198 . 0 0 "[ . 1 . 2]" 1
26 1 13 THR MG 1 14 ASN QB . . 4.990 4.251 2.788 4.990 0.000 2 0 "[ . 1 . 2]" 1
27 1 13 THR MG 1 15 GLU HA . . 4.800 4.292 3.264 4.796 . 0 0 "[ . 1 . 2]" 1
28 1 13 THR MG 1 17 ARG H . . 5.500 3.145 1.915 4.598 . 0 0 "[ . 1 . 2]" 1
29 1 13 THR MG 1 17 ARG HA . . 4.800 3.774 2.595 4.794 . 0 0 "[ . 1 . 2]" 1
30 1 13 THR MG 1 17 ARG HD2 . . 5.500 4.925 3.578 5.501 0.001 13 0 "[ . 1 . 2]" 1
31 1 13 THR MG 1 17 ARG HD3 . . 5.500 4.666 2.566 5.504 0.004 4 0 "[ . 1 . 2]" 1
32 1 15 GLU HA 1 15 GLU HG2 . . 4.170 3.030 2.035 3.722 . 0 0 "[ . 1 . 2]" 1
33 1 15 GLU HA 1 15 GLU QG . . 3.560 2.457 2.013 3.340 . 0 0 "[ . 1 . 2]" 1
34 1 15 GLU HA 1 15 GLU HG3 . . 4.170 2.949 2.186 3.951 . 0 0 "[ . 1 . 2]" 1
35 1 16 ARG H 1 16 ARG QG . . 4.510 3.629 2.452 4.474 . 0 0 "[ . 1 . 2]" 1
36 1 16 ARG HA 1 16 ARG HD2 . . 5.430 3.682 2.107 5.442 0.012 4 0 "[ . 1 . 2]" 1
37 1 16 ARG HA 1 16 ARG QD . . 4.670 3.257 2.079 4.293 . 0 0 "[ . 1 . 2]" 1
38 1 16 ARG HA 1 16 ARG HD3 . . 5.430 3.962 2.339 4.710 . 0 0 "[ . 1 . 2]" 1
39 1 16 ARG HA 1 16 ARG HE . . 4.610 4.269 3.135 4.613 0.003 4 0 "[ . 1 . 2]" 1
40 1 16 ARG HA 1 16 ARG HG2 . . 4.000 3.018 2.083 3.971 . 0 0 "[ . 1 . 2]" 1
41 1 16 ARG HA 1 16 ARG QG . . 3.490 2.366 2.026 3.321 . 0 0 "[ . 1 . 2]" 1
42 1 16 ARG HA 1 16 ARG HG3 . . 4.000 2.804 2.046 3.744 . 0 0 "[ . 1 . 2]" 1
43 1 17 ARG H 1 17 ARG QG . . 4.690 2.758 1.972 4.148 . 0 0 "[ . 1 . 2]" 1
44 1 17 ARG H 1 18 VAL H . . 4.930 4.335 2.483 4.639 . 0 0 "[ . 1 . 2]" 1
45 1 17 ARG HA 1 17 ARG HD2 . . 5.500 4.491 3.749 5.448 . 0 0 "[ . 1 . 2]" 1
46 1 17 ARG HA 1 17 ARG HD3 . . 5.500 4.447 2.183 5.343 . 0 0 "[ . 1 . 2]" 1
47 1 17 ARG HA 1 17 ARG QG . . 3.470 3.207 2.373 3.427 . 0 0 "[ . 1 . 2]" 1
48 1 17 ARG HA 1 18 VAL H . . 3.130 2.469 2.143 3.000 . 0 0 "[ . 1 . 2]" 1
49 1 17 ARG HA 1 18 VAL MG1 . . 5.500 5.112 3.679 5.523 0.023 13 0 "[ . 1 . 2]" 1
50 1 17 ARG HA 1 18 VAL QG . . 4.260 3.539 3.155 4.059 . 0 0 "[ . 1 . 2]" 1
51 1 17 ARG HA 1 18 VAL MG2 . . 5.500 3.951 3.175 5.501 0.001 14 0 "[ . 1 . 2]" 1
52 1 17 ARG HA 1 38 TRP HE1 . . 4.650 4.012 2.226 4.658 0.008 4 0 "[ . 1 . 2]" 1
53 1 17 ARG QB 1 17 ARG QD . . 3.180 2.109 1.959 2.609 . 0 0 "[ . 1 . 2]" 1
54 1 17 ARG QB 1 17 ARG QG . . 2.350 2.038 2.004 2.087 . 0 0 "[ . 1 . 2]" 1
55 1 17 ARG QB 1 18 VAL H . . 4.320 2.620 1.939 4.011 . 0 0 "[ . 1 . 2]" 1
56 1 17 ARG QB 1 38 TRP HE1 . . 5.340 4.480 2.603 5.329 . 0 0 "[ . 1 . 2]" 1
57 1 17 ARG HB2 1 18 VAL H . . 4.910 2.753 1.949 4.453 . 0 0 "[ . 1 . 2]" 1
58 1 17 ARG HB3 1 18 VAL H . . 4.910 3.788 3.479 4.557 . 0 0 "[ . 1 . 2]" 1
59 1 17 ARG QG 1 18 VAL H . . 4.470 3.292 2.054 4.426 . 0 0 "[ . 1 . 2]" 1
60 1 17 ARG QG 1 19 ILE MD . . 4.970 4.494 3.748 4.973 0.003 16 0 "[ . 1 . 2]" 1
61 1 18 VAL H 1 18 VAL HB . . 3.570 2.720 2.481 3.678 0.108 16 0 "[ . 1 . 2]" 1
62 1 18 VAL H 1 18 VAL MG1 . . 3.950 3.411 2.045 3.986 0.036 16 0 "[ . 1 . 2]" 1
63 1 18 VAL H 1 18 VAL QG . . 3.440 2.341 1.965 2.726 . 0 0 "[ . 1 . 2]" 1
64 1 18 VAL H 1 18 VAL MG2 . . 3.950 2.788 1.972 3.948 . 0 0 "[ . 1 . 2]" 1
65 1 18 VAL H 1 19 ILE H . . 4.860 4.537 4.293 4.637 . 0 0 "[ . 1 . 2]" 1
66 1 18 VAL HA 1 18 VAL MG1 . . 3.250 2.503 2.183 3.203 . 0 0 "[ . 1 . 2]" 1
67 1 18 VAL HA 1 18 VAL MG2 . . 3.250 2.344 2.193 2.424 . 0 0 "[ . 1 . 2]" 1
68 1 18 VAL HA 1 19 ILE H . . 2.790 2.265 2.220 2.293 . 0 0 "[ . 1 . 2]" 1
69 1 18 VAL HA 1 19 ILE HG12 . . 4.840 4.602 4.496 4.766 . 0 0 "[ . 1 . 2]" 1
70 1 18 VAL HA 1 19 ILE HG13 . . 4.560 3.440 3.377 3.538 . 0 0 "[ . 1 . 2]" 1
71 1 18 VAL HA 1 20 VAL H . . 5.500 5.148 4.709 5.329 . 0 0 "[ . 1 . 2]" 1
72 1 18 VAL HB 1 19 ILE H . . 4.240 3.836 3.658 3.987 . 0 0 "[ . 1 . 2]" 1
73 1 18 VAL HB 1 20 VAL H . . 4.970 4.531 4.253 5.051 0.081 9 0 "[ . 1 . 2]" 1
74 1 18 VAL HB 1 20 VAL MG2 . . 4.280 3.547 3.040 4.009 . 0 0 "[ . 1 . 2]" 1
75 1 18 VAL HB 1 38 TRP HB2 . . 4.630 3.830 2.422 4.638 0.008 13 0 "[ . 1 . 2]" 1
76 1 18 VAL HB 1 38 TRP HB3 . . 5.220 4.489 3.203 5.173 . 0 0 "[ . 1 . 2]" 1
77 1 18 VAL HB 1 38 TRP HD1 . . 5.500 4.707 3.799 5.191 . 0 0 "[ . 1 . 2]" 1
78 1 18 VAL HB 1 38 TRP HE1 . . 5.500 5.219 5.031 5.491 . 0 0 "[ . 1 . 2]" 1
79 1 18 VAL QG 1 19 ILE HG13 . . 5.140 4.082 3.934 4.206 . 0 0 "[ . 1 . 2]" 1
80 1 18 VAL QG 1 20 VAL H . . 4.400 2.952 2.298 3.368 . 0 0 "[ . 1 . 2]" 1
81 1 18 VAL QG 1 20 VAL HB . . 5.440 4.050 3.689 4.248 . 0 0 "[ . 1 . 2]" 1
82 1 18 VAL QG 1 31 HIS HD2 . . 4.670 4.051 3.543 4.661 . 0 0 "[ . 1 . 2]" 1
83 1 18 VAL QG 1 34 GLN HB2 . . 4.400 3.335 2.697 3.920 . 0 0 "[ . 1 . 2]" 1
84 1 18 VAL QG 1 34 GLN HB3 . . 3.700 2.367 1.880 2.859 . 0 0 "[ . 1 . 2]" 1
85 1 18 VAL QG 1 34 GLN QG . . 4.560 3.631 2.991 4.035 . 0 0 "[ . 1 . 2]" 1
86 1 18 VAL QG 1 35 TRP HD1 . . 4.610 3.718 2.618 4.335 . 0 0 "[ . 1 . 2]" 1
87 1 18 VAL QG 1 38 TRP H . . 5.170 4.061 3.540 4.836 . 0 0 "[ . 1 . 2]" 1
88 1 18 VAL QG 1 38 TRP HB2 . . 3.670 2.287 1.882 3.426 . 0 0 "[ . 1 . 2]" 1
89 1 18 VAL QG 1 38 TRP HB3 . . 4.300 2.977 2.681 3.614 . 0 0 "[ . 1 . 2]" 1
90 1 18 VAL QG 1 38 TRP HD1 . . 4.180 3.137 2.534 4.184 0.004 10 0 "[ . 1 . 2]" 1
91 1 18 VAL QG 1 38 TRP HE1 . . 4.710 3.853 3.150 4.712 0.002 11 0 "[ . 1 . 2]" 1
92 1 18 VAL QG 1 38 TRP HE3 . . 5.440 3.735 3.296 4.267 . 0 0 "[ . 1 . 2]" 1
93 1 18 VAL MG1 1 19 ILE H . . 3.970 2.486 1.968 3.594 . 0 0 "[ . 1 . 2]" 1
94 1 18 VAL MG1 1 20 VAL H . . 5.500 3.018 2.435 3.398 . 0 0 "[ . 1 . 2]" 1
95 1 18 VAL MG1 1 34 GLN HB2 . . 5.500 3.945 2.786 5.482 . 0 0 "[ . 1 . 2]" 1
96 1 18 VAL MG1 1 34 GLN HB3 . . 4.560 2.988 1.941 4.563 0.003 9 0 "[ . 1 . 2]" 1
97 1 18 VAL MG1 1 35 TRP HA . . 3.950 2.972 2.711 3.274 . 0 0 "[ . 1 . 2]" 1
98 1 18 VAL MG1 1 35 TRP HB2 . . 4.910 3.654 3.416 3.847 . 0 0 "[ . 1 . 2]" 1
99 1 18 VAL MG1 1 38 TRP HB2 . . 4.280 3.648 3.352 4.035 . 0 0 "[ . 1 . 2]" 1
100 1 18 VAL MG2 1 19 ILE H . . 3.970 3.473 2.070 3.982 0.012 19 0 "[ . 1 . 2]" 1
101 1 18 VAL MG2 1 20 VAL H . . 5.500 4.820 2.665 5.522 0.022 16 0 "[ . 1 . 2]" 1
102 1 18 VAL MG2 1 34 GLN HB2 . . 5.500 4.412 3.139 5.491 . 0 0 "[ . 1 . 2]" 1
103 1 18 VAL MG2 1 34 GLN HB3 . . 4.560 3.126 2.148 4.141 . 0 0 "[ . 1 . 2]" 1
104 1 18 VAL MG2 1 35 TRP HA . . 3.950 3.161 2.814 3.354 . 0 0 "[ . 1 . 2]" 1
105 1 18 VAL MG2 1 35 TRP HB2 . . 4.910 4.535 3.531 4.921 0.011 19 0 "[ . 1 . 2]" 1
106 1 18 VAL MG2 1 38 TRP HB2 . . 4.280 2.406 1.885 3.869 . 0 0 "[ . 1 . 2]" 1
107 1 19 ILE H 1 19 ILE HB . . 3.180 2.704 2.626 2.796 . 0 0 "[ . 1 . 2]" 1
108 1 19 ILE H 1 19 ILE MD . . 4.560 4.003 3.904 4.097 . 0 0 "[ . 1 . 2]" 1
109 1 19 ILE H 1 19 ILE HG12 . . 3.760 3.697 3.512 3.770 0.010 19 0 "[ . 1 . 2]" 1
110 1 19 ILE H 1 19 ILE HG13 . . 3.740 2.622 2.438 2.730 . 0 0 "[ . 1 . 2]" 1
111 1 19 ILE H 1 19 ILE MG . . 4.160 3.875 3.845 3.915 . 0 0 "[ . 1 . 2]" 1
112 1 19 ILE H 1 20 VAL H . . 4.090 3.705 3.431 3.872 . 0 0 "[ . 1 . 2]" 1
113 1 19 ILE H 1 20 VAL HA . . 5.420 4.898 4.757 4.980 . 0 0 "[ . 1 . 2]" 1
114 1 19 ILE H 1 20 VAL MG1 . . 4.650 3.445 3.281 3.552 . 0 0 "[ . 1 . 2]" 1
115 1 19 ILE H 1 20 VAL MG2 . . 5.040 4.264 3.982 4.758 . 0 0 "[ . 1 . 2]" 1
116 1 19 ILE HA 1 19 ILE MD . . 3.970 3.830 3.817 3.851 . 0 0 "[ . 1 . 2]" 1
117 1 19 ILE HA 1 19 ILE HG12 . . 3.660 2.567 2.541 2.602 . 0 0 "[ . 1 . 2]" 1
118 1 19 ILE HA 1 19 ILE HG13 . . 3.850 3.177 3.119 3.223 . 0 0 "[ . 1 . 2]" 1
119 1 19 ILE HA 1 19 ILE MG . . 3.060 2.328 2.266 2.378 . 0 0 "[ . 1 . 2]" 1
120 1 19 ILE HA 1 20 VAL H . . 2.770 2.337 2.273 2.515 . 0 0 "[ . 1 . 2]" 1
121 1 19 ILE HA 1 20 VAL MG1 . . 4.800 4.288 4.076 4.494 . 0 0 "[ . 1 . 2]" 1
122 1 19 ILE HA 1 20 VAL MG2 . . 4.030 3.965 3.873 4.077 0.047 20 0 "[ . 1 . 2]" 1
123 1 19 ILE HB 1 19 ILE MD . . 3.280 2.444 2.415 2.466 . 0 0 "[ . 1 . 2]" 1
124 1 19 ILE HB 1 20 VAL H . . 4.600 4.423 4.394 4.449 . 0 0 "[ . 1 . 2]" 1
125 1 19 ILE MD 1 20 VAL H . . 5.500 5.593 5.564 5.669 0.169 18 0 "[ . 1 . 2]" 1
126 1 19 ILE HG12 1 19 ILE MG . . 3.170 2.348 2.318 2.400 . 0 0 "[ . 1 . 2]" 1
127 1 19 ILE HG12 1 20 VAL H . . 4.910 4.876 4.819 4.979 0.069 14 0 "[ . 1 . 2]" 1
128 1 19 ILE HG13 1 19 ILE MG . . 3.250 3.191 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
129 1 19 ILE HG13 1 20 VAL H . . 5.220 5.156 5.092 5.191 . 0 0 "[ . 1 . 2]" 1
130 1 19 ILE HG13 1 20 VAL MG1 . . 5.500 5.525 5.507 5.536 0.036 4 0 "[ . 1 . 2]" 1
131 1 19 ILE MG 1 20 VAL H . . 3.690 3.494 3.354 3.779 0.089 14 0 "[ . 1 . 2]" 1
132 1 19 ILE MG 1 20 VAL HA . . 4.560 3.867 3.735 4.086 . 0 0 "[ . 1 . 2]" 1
133 1 19 ILE MG 1 21 PRO HA . . 5.500 5.446 5.154 5.575 0.075 19 0 "[ . 1 . 2]" 1
134 1 20 VAL H 1 20 VAL HB . . 3.820 3.766 3.691 3.803 . 0 0 "[ . 1 . 2]" 1
135 1 20 VAL H 1 20 VAL MG1 . . 3.760 3.051 2.841 3.231 . 0 0 "[ . 1 . 2]" 1
136 1 20 VAL H 1 20 VAL MG2 . . 3.090 2.007 1.901 2.186 . 0 0 "[ . 1 . 2]" 1
137 1 20 VAL HA 1 20 VAL MG1 . . 2.940 2.294 2.256 2.374 . 0 0 "[ . 1 . 2]" 1
138 1 20 VAL HA 1 20 VAL MG2 . . 3.460 3.187 3.177 3.201 . 0 0 "[ . 1 . 2]" 1
139 1 20 VAL HA 1 21 PRO HB3 . . 5.040 4.848 4.843 4.850 . 0 0 "[ . 1 . 2]" 1
140 1 20 VAL HA 1 21 PRO HD2 . . 3.270 2.404 2.379 2.416 . 0 0 "[ . 1 . 2]" 1
141 1 20 VAL HA 1 21 PRO HD3 . . 2.980 2.301 2.291 2.306 . 0 0 "[ . 1 . 2]" 1
142 1 20 VAL HA 1 21 PRO HG2 . . 5.280 4.516 4.495 4.525 . 0 0 "[ . 1 . 2]" 1
143 1 20 VAL HA 1 27 TRP HD1 . . 4.800 4.575 4.376 4.798 . 0 0 "[ . 1 . 2]" 1
144 1 20 VAL HA 1 27 TRP HE1 . . 4.910 4.251 4.133 4.338 . 0 0 "[ . 1 . 2]" 1
145 1 20 VAL HA 1 31 HIS HE1 . . 4.910 3.994 3.630 4.421 . 0 0 "[ . 1 . 2]" 1
146 1 20 VAL HB 1 21 PRO HB3 . . 5.500 5.402 5.378 5.463 . 0 0 "[ . 1 . 2]" 1
147 1 20 VAL HB 1 21 PRO HD2 . . 3.330 1.976 1.963 1.990 . 0 0 "[ . 1 . 2]" 1
148 1 20 VAL HB 1 21 PRO HD3 . . 3.580 3.430 3.418 3.443 . 0 0 "[ . 1 . 2]" 1
149 1 20 VAL HB 1 21 PRO HG2 . . 4.800 3.725 3.703 3.779 . 0 0 "[ . 1 . 2]" 1
150 1 20 VAL HB 1 21 PRO HG3 . . 4.770 4.615 4.601 4.632 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL HB 1 27 TRP HD1 . . 4.120 3.256 3.122 3.378 . 0 0 "[ . 1 . 2]" 1
152 1 20 VAL HB 1 27 TRP HE1 . . 4.030 2.159 1.996 2.289 . 0 0 "[ . 1 . 2]" 1
153 1 20 VAL HB 1 27 TRP HZ2 . . 4.800 3.811 3.642 3.983 . 0 0 "[ . 1 . 2]" 1
154 1 20 VAL HB 1 31 HIS HB2 . . 5.500 5.303 4.980 5.508 0.008 5 0 "[ . 1 . 2]" 1
155 1 20 VAL HB 1 31 HIS HB3 . . 4.090 3.820 3.486 4.062 . 0 0 "[ . 1 . 2]" 1
156 1 20 VAL HB 1 31 HIS HD2 . . 5.120 4.708 4.432 4.824 . 0 0 "[ . 1 . 2]" 1
157 1 20 VAL MG1 1 21 PRO HD2 . . 3.760 2.892 2.782 3.151 . 0 0 "[ . 1 . 2]" 1
158 1 20 VAL MG1 1 21 PRO HD3 . . 4.000 3.740 3.652 3.950 . 0 0 "[ . 1 . 2]" 1
159 1 20 VAL MG1 1 27 TRP HA . . 5.040 4.419 4.125 4.750 . 0 0 "[ . 1 . 2]" 1
160 1 20 VAL MG1 1 27 TRP HD1 . . 4.910 3.832 3.595 4.173 . 0 0 "[ . 1 . 2]" 1
161 1 20 VAL MG1 1 27 TRP HE1 . . 4.090 3.706 3.534 3.894 . 0 0 "[ . 1 . 2]" 1
162 1 20 VAL MG1 1 27 TRP HH2 . . 5.500 5.464 5.337 5.513 0.013 13 0 "[ . 1 . 2]" 1
163 1 20 VAL MG1 1 27 TRP HZ2 . . 4.550 4.452 4.363 4.549 . 0 0 "[ . 1 . 2]" 1
164 1 20 VAL MG1 1 31 HIS H . . 4.910 4.812 4.697 4.917 0.007 1 0 "[ . 1 . 2]" 1
165 1 20 VAL MG1 1 31 HIS HB2 . . 4.090 3.793 3.682 3.964 . 0 0 "[ . 1 . 2]" 1
166 1 20 VAL MG1 1 31 HIS HB3 . . 3.320 2.471 2.342 2.677 . 0 0 "[ . 1 . 2]" 1
167 1 20 VAL MG1 1 31 HIS HD2 . . 3.440 2.384 2.309 2.473 . 0 0 "[ . 1 . 2]" 1
168 1 20 VAL MG1 1 34 GLN H . . 5.170 4.956 4.840 5.135 . 0 0 "[ . 1 . 2]" 1
169 1 20 VAL MG1 1 34 GLN HB2 . . 4.030 3.557 3.331 3.700 . 0 0 "[ . 1 . 2]" 1
170 1 20 VAL MG1 1 34 GLN HB3 . . 3.990 3.705 3.569 3.877 . 0 0 "[ . 1 . 2]" 1
171 1 20 VAL MG1 1 34 GLN HG2 . . 5.500 5.455 4.915 5.510 0.010 11 0 "[ . 1 . 2]" 1
172 1 20 VAL MG1 1 34 GLN HG3 . . 5.500 5.314 4.478 5.510 0.010 10 0 "[ . 1 . 2]" 1
173 1 20 VAL MG1 1 35 TRP H . . 4.160 3.630 3.535 3.813 . 0 0 "[ . 1 . 2]" 1
174 1 20 VAL MG1 1 35 TRP HA . . 4.490 3.934 3.796 4.156 . 0 0 "[ . 1 . 2]" 1
175 1 20 VAL MG1 1 35 TRP HB2 . . 3.790 2.981 2.785 3.224 . 0 0 "[ . 1 . 2]" 1
176 1 20 VAL MG1 1 35 TRP HB3 . . 4.460 4.230 4.044 4.436 . 0 0 "[ . 1 . 2]" 1
177 1 20 VAL MG1 1 35 TRP HD1 . . 4.710 4.459 4.250 4.708 . 0 0 "[ . 1 . 2]" 1
178 1 20 VAL MG2 1 21 PRO HD2 . . 4.200 3.618 3.503 3.661 . 0 0 "[ . 1 . 2]" 1
179 1 20 VAL MG2 1 21 PRO HD3 . . 4.840 4.536 4.454 4.568 . 0 0 "[ . 1 . 2]" 1
180 1 20 VAL MG2 1 22 ALA HA . . 5.350 4.857 4.480 5.103 . 0 0 "[ . 1 . 2]" 1
181 1 20 VAL MG2 1 27 TRP HD1 . . 5.040 4.577 4.388 4.704 . 0 0 "[ . 1 . 2]" 1
182 1 20 VAL MG2 1 27 TRP HE1 . . 3.660 2.810 2.460 3.054 . 0 0 "[ . 1 . 2]" 1
183 1 20 VAL MG2 1 27 TRP HH2 . . 4.380 4.179 3.783 4.405 0.025 19 0 "[ . 1 . 2]" 1
184 1 20 VAL MG2 1 27 TRP HZ2 . . 3.260 2.588 2.256 2.849 . 0 0 "[ . 1 . 2]" 1
185 1 20 VAL MG2 1 31 HIS HB3 . . 4.920 4.614 4.344 4.809 . 0 0 "[ . 1 . 2]" 1
186 1 20 VAL MG2 1 31 HIS HD2 . . 5.080 4.962 4.826 5.087 0.007 14 0 "[ . 1 . 2]" 1
187 1 20 VAL MG2 1 35 TRP H . . 4.910 4.844 4.603 4.923 0.013 2 0 "[ . 1 . 2]" 1
188 1 20 VAL MG2 1 35 TRP HA . . 4.630 4.098 3.723 4.208 . 0 0 "[ . 1 . 2]" 1
189 1 20 VAL MG2 1 35 TRP HB2 . . 3.970 3.209 2.957 3.350 . 0 0 "[ . 1 . 2]" 1
190 1 20 VAL MG2 1 35 TRP HB3 . . 4.800 4.705 4.478 4.808 0.008 10 0 "[ . 1 . 2]" 1
191 1 20 VAL MG2 1 35 TRP HD1 . . 4.120 3.371 3.108 3.577 . 0 0 "[ . 1 . 2]" 1
192 1 20 VAL MG2 1 88 LEU QD . . 4.190 3.518 3.383 3.674 . 0 0 "[ . 1 . 2]" 1
193 1 21 PRO HA 1 22 ALA MB . . 4.330 4.119 4.024 4.219 . 0 0 "[ . 1 . 2]" 1
194 1 21 PRO HA 1 23 ASP H . . 5.400 5.055 4.727 5.408 0.008 10 0 "[ . 1 . 2]" 1
195 1 21 PRO HA 1 27 TRP HD1 . . 5.500 5.506 5.456 5.553 0.053 13 0 "[ . 1 . 2]" 1
196 1 21 PRO HA 1 27 TRP HE1 . . 5.040 4.576 4.328 4.738 . 0 0 "[ . 1 . 2]" 1
197 1 21 PRO HB2 1 22 ALA HA . . 5.420 4.744 4.514 4.891 . 0 0 "[ . 1 . 2]" 1
198 1 21 PRO HB2 1 22 ALA MB . . 4.830 4.048 3.776 4.275 . 0 0 "[ . 1 . 2]" 1
199 1 21 PRO HB2 1 23 ASP H . . 4.420 3.529 3.347 3.652 . 0 0 "[ . 1 . 2]" 1
200 1 21 PRO HB2 1 23 ASP HB2 . . 5.290 4.362 3.695 5.027 . 0 0 "[ . 1 . 2]" 1
201 1 21 PRO HB2 1 26 LEU QD . . 4.460 2.879 2.125 3.554 . 0 0 "[ . 1 . 2]" 1
202 1 21 PRO HB2 1 27 TRP HD1 . . 4.440 4.302 4.267 4.344 . 0 0 "[ . 1 . 2]" 1
203 1 21 PRO HB2 1 27 TRP HE1 . . 4.380 4.236 4.078 4.308 . 0 0 "[ . 1 . 2]" 1
204 1 21 PRO HB3 1 22 ALA MB . . 5.500 5.031 4.891 5.156 . 0 0 "[ . 1 . 2]" 1
205 1 21 PRO HB3 1 23 ASP H . . 5.500 5.167 4.965 5.335 . 0 0 "[ . 1 . 2]" 1
206 1 21 PRO HB3 1 26 LEU HB2 . . 4.920 4.184 3.541 4.846 . 0 0 "[ . 1 . 2]" 1
207 1 21 PRO HB3 1 26 LEU HB3 . . 5.500 4.662 3.721 5.505 0.005 18 0 "[ . 1 . 2]" 1
208 1 21 PRO HB3 1 26 LEU QD . . 4.710 3.662 2.934 4.334 . 0 0 "[ . 1 . 2]" 1
209 1 21 PRO HB3 1 27 TRP HD1 . . 4.930 4.798 4.708 4.901 . 0 0 "[ . 1 . 2]" 1
210 1 21 PRO HB3 1 27 TRP HE1 . . 5.330 5.001 4.834 5.077 . 0 0 "[ . 1 . 2]" 1
211 1 21 PRO HD2 1 27 TRP HA . . 4.380 3.741 3.558 3.943 . 0 0 "[ . 1 . 2]" 1
212 1 21 PRO HD2 1 27 TRP HB3 . . 5.350 5.148 4.934 5.357 0.007 13 0 "[ . 1 . 2]" 1
213 1 21 PRO HD2 1 27 TRP HD1 . . 3.420 2.240 2.062 2.448 . 0 0 "[ . 1 . 2]" 1
214 1 21 PRO HD2 1 27 TRP HE1 . . 4.020 2.584 2.464 2.710 . 0 0 "[ . 1 . 2]" 1
215 1 21 PRO HD2 1 28 THR H . . 5.400 5.122 4.997 5.199 . 0 0 "[ . 1 . 2]" 1
216 1 21 PRO HD2 1 28 THR MG . . 5.500 5.478 5.323 5.520 0.020 5 0 "[ . 1 . 2]" 1
217 1 21 PRO HD2 1 31 HIS HB2 . . 5.040 4.903 4.817 4.953 . 0 0 "[ . 1 . 2]" 1
218 1 21 PRO HD2 1 31 HIS HB3 . . 4.560 3.967 3.858 4.026 . 0 0 "[ . 1 . 2]" 1
219 1 21 PRO HD2 1 31 HIS HD2 . . 5.040 4.784 4.690 4.902 . 0 0 "[ . 1 . 2]" 1
220 1 21 PRO HD2 1 31 HIS HE1 . . 4.330 3.670 3.451 3.802 . 0 0 "[ . 1 . 2]" 1
221 1 21 PRO HD3 1 27 TRP HD1 . . 3.950 3.593 3.381 3.860 . 0 0 "[ . 1 . 2]" 1
222 1 21 PRO HD3 1 27 TRP HE1 . . 4.460 4.153 4.066 4.239 . 0 0 "[ . 1 . 2]" 1
223 1 21 PRO HD3 1 31 HIS HB3 . . 5.350 5.251 5.098 5.355 0.005 15 0 "[ . 1 . 2]" 1
224 1 21 PRO HD3 1 31 HIS HD2 . . 5.120 5.135 5.120 5.155 0.035 2 0 "[ . 1 . 2]" 1
225 1 21 PRO HD3 1 31 HIS HE1 . . 4.160 2.816 2.639 3.062 . 0 0 "[ . 1 . 2]" 1
226 1 21 PRO HG2 1 27 TRP HA . . 4.710 3.733 3.588 3.913 . 0 0 "[ . 1 . 2]" 1
227 1 21 PRO HG2 1 27 TRP HD1 . . 3.810 1.995 1.966 2.033 . 0 0 "[ . 1 . 2]" 1
228 1 21 PRO HG2 1 27 TRP HE1 . . 4.570 2.700 2.572 2.846 . 0 0 "[ . 1 . 2]" 1
229 1 21 PRO HG2 1 31 HIS HE1 . . 5.210 4.780 4.451 5.076 . 0 0 "[ . 1 . 2]" 1
230 1 21 PRO HG3 1 27 TRP HA . . 4.330 3.912 3.768 4.114 . 0 0 "[ . 1 . 2]" 1
231 1 21 PRO HG3 1 27 TRP HD1 . . 3.850 2.956 2.762 3.159 . 0 0 "[ . 1 . 2]" 1
232 1 21 PRO HG3 1 27 TRP HE1 . . 4.800 4.255 4.138 4.401 . 0 0 "[ . 1 . 2]" 1
233 1 21 PRO HG3 1 31 HIS HE1 . . 3.850 3.585 3.297 3.859 0.009 9 0 "[ . 1 . 2]" 1
234 1 22 ALA H 1 22 ALA MB . . 3.630 2.186 2.032 2.237 . 0 0 "[ . 1 . 2]" 1
235 1 22 ALA H 1 23 ASP H . . 4.390 3.101 2.999 3.162 . 0 0 "[ . 1 . 2]" 1
236 1 22 ALA HA 1 27 TRP HE1 . . 4.910 4.775 4.558 4.953 0.043 4 0 "[ . 1 . 2]" 1
237 1 22 ALA HA 1 27 TRP HZ2 . . 5.500 5.015 4.510 5.424 . 0 0 "[ . 1 . 2]" 1
238 1 22 ALA HA 1 88 LEU MD1 . . 5.500 5.433 5.011 5.505 0.005 6 0 "[ . 1 . 2]" 1
239 1 22 ALA HA 1 88 LEU QD . . 4.750 3.609 2.717 3.845 . 0 0 "[ . 1 . 2]" 1
240 1 22 ALA HA 1 88 LEU MD2 . . 5.500 3.667 2.729 3.931 . 0 0 "[ . 1 . 2]" 1
241 1 22 ALA HA 1 88 LEU HG . . 5.500 4.200 4.069 5.508 0.008 20 0 "[ . 1 . 2]" 1
242 1 22 ALA MB 1 23 ASP H . . 3.390 1.952 1.910 2.094 . 0 0 "[ . 1 . 2]" 1
243 1 22 ALA MB 1 23 ASP HB2 . . 4.160 3.609 3.425 4.100 . 0 0 "[ . 1 . 2]" 1
244 1 22 ALA MB 1 23 ASP HB3 . . 5.210 4.825 4.589 5.013 . 0 0 "[ . 1 . 2]" 1
245 1 22 ALA MB 1 88 LEU MD1 . . 5.500 5.521 5.499 5.545 0.045 6 0 "[ . 1 . 2]" 1
246 1 22 ALA MB 1 88 LEU MD2 . . 5.500 4.565 3.599 4.771 . 0 0 "[ . 1 . 2]" 1
247 1 22 ALA MB 1 92 SER HA . . 4.650 3.715 2.194 4.635 . 0 0 "[ . 1 . 2]" 1
248 1 22 ALA MB 1 92 SER HB2 . . 4.850 2.941 1.980 4.391 . 0 0 "[ . 1 . 2]" 1
249 1 22 ALA MB 1 92 SER QB . . 4.000 2.810 1.961 4.004 0.004 15 0 "[ . 1 . 2]" 1
250 1 22 ALA MB 1 92 SER HB3 . . 4.850 3.887 3.118 4.641 . 0 0 "[ . 1 . 2]" 1
251 1 23 ASP H 1 23 ASP HB2 . . 3.510 2.111 2.068 2.352 . 0 0 "[ . 1 . 2]" 1
252 1 23 ASP H 1 23 ASP HB3 . . 3.600 3.325 3.094 3.571 . 0 0 "[ . 1 . 2]" 1
253 1 23 ASP H 1 24 PRO HD2 . . 5.040 4.720 4.622 4.802 . 0 0 "[ . 1 . 2]" 1
254 1 23 ASP H 1 24 PRO HD3 . . 5.100 4.674 4.414 4.939 . 0 0 "[ . 1 . 2]" 1
255 1 23 ASP H 1 26 LEU QD . . 5.050 3.252 2.612 3.726 . 0 0 "[ . 1 . 2]" 1
256 1 23 ASP H 1 92 SER QB . . 4.590 3.287 2.805 4.231 . 0 0 "[ . 1 . 2]" 1
257 1 23 ASP HB2 1 24 PRO HD2 . . 4.710 4.336 3.996 4.620 . 0 0 "[ . 1 . 2]" 1
258 1 23 ASP HB2 1 24 PRO HD3 . . 5.210 5.035 4.863 5.148 . 0 0 "[ . 1 . 2]" 1
259 1 23 ASP HB2 1 26 LEU H . . 4.930 4.279 3.658 4.611 . 0 0 "[ . 1 . 2]" 1
260 1 23 ASP HB2 1 26 LEU HB2 . . 5.500 4.180 3.128 4.919 . 0 0 "[ . 1 . 2]" 1
261 1 23 ASP HB2 1 26 LEU MD1 . . 4.800 2.360 1.962 3.243 . 0 0 "[ . 1 . 2]" 1
262 1 23 ASP HB2 1 26 LEU QD . . 3.590 2.337 1.959 3.159 . 0 0 "[ . 1 . 2]" 1
263 1 23 ASP HB2 1 26 LEU MD2 . . 4.800 4.269 3.603 4.597 . 0 0 "[ . 1 . 2]" 1
264 1 23 ASP HB2 1 26 LEU HG . . 5.140 3.208 2.302 4.976 . 0 0 "[ . 1 . 2]" 1
265 1 23 ASP HB2 1 92 SER HB2 . . 5.220 3.631 2.709 4.769 . 0 0 "[ . 1 . 2]" 1
266 1 23 ASP HB2 1 92 SER QB . . 4.420 3.211 2.287 4.239 . 0 0 "[ . 1 . 2]" 1
267 1 23 ASP HB2 1 92 SER HB3 . . 5.220 3.684 2.330 4.748 . 0 0 "[ . 1 . 2]" 1
268 1 23 ASP HB3 1 24 PRO HD2 . . 4.800 3.507 2.839 3.898 . 0 0 "[ . 1 . 2]" 1
269 1 23 ASP HB3 1 24 PRO HD3 . . 4.800 4.562 4.114 4.800 . 0 0 "[ . 1 . 2]" 1
270 1 23 ASP HB3 1 25 THR H . . 4.560 2.983 2.724 3.250 . 0 0 "[ . 1 . 2]" 1
271 1 23 ASP HB3 1 25 THR HB . . 5.350 4.868 4.657 5.057 . 0 0 "[ . 1 . 2]" 1
272 1 23 ASP HB3 1 26 LEU H . . 4.190 2.850 2.612 3.105 . 0 0 "[ . 1 . 2]" 1
273 1 23 ASP HB3 1 26 LEU HB2 . . 4.560 3.650 3.074 4.418 . 0 0 "[ . 1 . 2]" 1
274 1 23 ASP HB3 1 26 LEU HB3 . . 5.500 4.877 4.430 5.477 . 0 0 "[ . 1 . 2]" 1
275 1 23 ASP HB3 1 26 LEU MD1 . . 4.380 2.752 1.911 3.587 . 0 0 "[ . 1 . 2]" 1
276 1 23 ASP HB3 1 26 LEU QD . . 3.830 2.636 1.909 3.213 . 0 0 "[ . 1 . 2]" 1
277 1 23 ASP HB3 1 26 LEU MD2 . . 4.380 3.752 3.416 4.418 0.038 10 0 "[ . 1 . 2]" 1
278 1 23 ASP HB3 1 26 LEU HG . . 4.720 2.315 2.040 4.350 . 0 0 "[ . 1 . 2]" 1
279 1 23 ASP HB3 1 92 SER HB2 . . 5.500 4.992 4.272 5.501 0.001 17 0 "[ . 1 . 2]" 1
280 1 23 ASP HB3 1 92 SER HB3 . . 5.500 4.902 3.941 5.501 0.001 17 0 "[ . 1 . 2]" 1
281 1 24 PRO HA 1 25 THR HA . . 5.100 4.786 4.706 4.841 . 0 0 "[ . 1 . 2]" 1
282 1 24 PRO HA 1 26 LEU H . . 4.100 3.772 3.625 3.977 . 0 0 "[ . 1 . 2]" 1
283 1 24 PRO HA 1 26 LEU HB2 . . 5.500 5.024 4.819 5.322 . 0 0 "[ . 1 . 2]" 1
284 1 24 PRO HA 1 27 TRP H . . 3.900 3.648 3.378 3.907 0.007 10 0 "[ . 1 . 2]" 1
285 1 24 PRO HA 1 27 TRP HB2 . . 4.830 3.690 3.551 3.811 . 0 0 "[ . 1 . 2]" 1
286 1 24 PRO HA 1 27 TRP HB3 . . 5.500 4.755 4.663 4.854 . 0 0 "[ . 1 . 2]" 1
287 1 24 PRO HA 1 27 TRP HD1 . . 3.950 3.865 3.782 3.953 0.003 6 0 "[ . 1 . 2]" 1
288 1 24 PRO HA 1 27 TRP HE1 . . 3.730 3.492 3.401 3.603 . 0 0 "[ . 1 . 2]" 1
289 1 24 PRO HA 1 27 TRP HE3 . . 4.800 3.806 3.733 3.854 . 0 0 "[ . 1 . 2]" 1
290 1 24 PRO HA 1 27 TRP HH2 . . 4.800 4.507 4.375 4.642 . 0 0 "[ . 1 . 2]" 1
291 1 24 PRO HA 1 27 TRP HZ2 . . 4.240 3.805 3.689 3.973 . 0 0 "[ . 1 . 2]" 1
292 1 24 PRO HA 1 27 TRP HZ3 . . 5.050 4.508 4.427 4.584 . 0 0 "[ . 1 . 2]" 1
293 1 24 PRO HA 1 88 LEU QB . . 5.340 4.256 4.014 4.451 . 0 0 "[ . 1 . 2]" 1
294 1 24 PRO HB2 1 25 THR H . . 4.230 3.517 3.255 3.791 . 0 0 "[ . 1 . 2]" 1
295 1 24 PRO HB2 1 25 THR HA . . 4.800 4.148 4.042 4.264 . 0 0 "[ . 1 . 2]" 1
296 1 24 PRO HB2 1 25 THR MG . . 4.280 4.046 3.738 4.299 0.019 13 0 "[ . 1 . 2]" 1
297 1 24 PRO HB2 1 27 TRP HZ2 . . 5.500 5.512 5.297 5.611 0.111 9 0 "[ . 1 . 2]" 1
298 1 24 PRO HB2 1 62 CYS QB . . 4.910 3.387 2.660 4.402 . 0 0 "[ . 1 . 2]" 1
299 1 24 PRO HB2 1 85 LEU HG . . 4.800 3.202 2.753 3.478 . 0 0 "[ . 1 . 2]" 1
300 1 24 PRO HB2 1 88 LEU QB . . 5.340 4.435 3.937 4.888 . 0 0 "[ . 1 . 2]" 1
301 1 24 PRO HB2 1 88 LEU QD . . 4.880 4.499 3.914 4.820 . 0 0 "[ . 1 . 2]" 1
302 1 24 PRO HB2 1 89 ARG HG2 . . 5.500 4.482 3.887 5.517 0.017 5 0 "[ . 1 . 2]" 1
303 1 24 PRO HB2 1 89 ARG HG3 . . 4.800 3.933 3.429 4.466 . 0 0 "[ . 1 . 2]" 1
304 1 24 PRO HB3 1 27 TRP HE3 . . 4.910 4.124 4.008 4.324 . 0 0 "[ . 1 . 2]" 1
305 1 24 PRO HB3 1 27 TRP HH2 . . 4.910 3.599 3.411 3.702 . 0 0 "[ . 1 . 2]" 1
306 1 24 PRO HB3 1 27 TRP HZ2 . . 4.430 4.012 3.786 4.147 . 0 0 "[ . 1 . 2]" 1
307 1 24 PRO HB3 1 27 TRP HZ3 . . 4.560 3.659 3.551 3.786 . 0 0 "[ . 1 . 2]" 1
308 1 24 PRO HB3 1 85 LEU HA . . 4.800 4.164 3.893 4.383 . 0 0 "[ . 1 . 2]" 1
309 1 24 PRO HB3 1 85 LEU MD1 . . 4.060 3.144 2.610 3.552 . 0 0 "[ . 1 . 2]" 1
310 1 24 PRO HB3 1 85 LEU MD2 . . 4.060 3.353 2.852 3.797 . 0 0 "[ . 1 . 2]" 1
311 1 24 PRO HB3 1 88 LEU QD . . 4.040 3.026 2.564 3.360 . 0 0 "[ . 1 . 2]" 1
312 1 24 PRO HD2 1 25 THR H . . 3.750 2.704 2.646 2.834 . 0 0 "[ . 1 . 2]" 1
313 1 24 PRO HD2 1 25 THR MG . . 4.800 3.832 3.348 4.228 . 0 0 "[ . 1 . 2]" 1
314 1 24 PRO HD2 1 26 LEU QD . . 5.440 5.295 4.367 5.445 0.005 7 0 "[ . 1 . 2]" 1
315 1 24 PRO HD2 1 88 LEU QB . . 3.800 3.582 3.458 3.712 . 0 0 "[ . 1 . 2]" 1
316 1 24 PRO HD2 1 88 LEU QD . . 5.150 4.749 4.608 4.871 . 0 0 "[ . 1 . 2]" 1
317 1 24 PRO HD2 1 89 ARG H . . 4.930 4.379 3.958 4.640 . 0 0 "[ . 1 . 2]" 1
318 1 24 PRO HD2 1 89 ARG HA . . 3.770 2.324 2.000 2.626 . 0 0 "[ . 1 . 2]" 1
319 1 24 PRO HD2 1 89 ARG HG2 . . 4.710 3.542 2.711 4.471 . 0 0 "[ . 1 . 2]" 1
320 1 24 PRO HD2 1 89 ARG HG3 . . 4.310 3.783 3.053 4.131 . 0 0 "[ . 1 . 2]" 1
321 1 24 PRO HD3 1 25 THR H . . 4.230 3.870 3.835 3.942 . 0 0 "[ . 1 . 2]" 1
322 1 24 PRO HD3 1 27 TRP HZ2 . . 5.350 5.110 5.023 5.156 . 0 0 "[ . 1 . 2]" 1
323 1 24 PRO HD3 1 88 LEU HB2 . . 3.660 3.194 2.663 3.599 . 0 0 "[ . 1 . 2]" 1
324 1 24 PRO HD3 1 88 LEU HB3 . . 3.660 2.041 1.979 2.179 . 0 0 "[ . 1 . 2]" 1
325 1 24 PRO HD3 1 88 LEU QD . . 3.990 3.396 3.220 3.554 . 0 0 "[ . 1 . 2]" 1
326 1 24 PRO HD3 1 89 ARG H . . 4.380 3.809 3.489 4.244 . 0 0 "[ . 1 . 2]" 1
327 1 24 PRO HD3 1 89 ARG HG3 . . 4.280 3.941 3.385 4.291 0.011 15 0 "[ . 1 . 2]" 1
328 1 24 PRO QG 1 25 THR H . . 3.720 2.595 2.257 2.980 . 0 0 "[ . 1 . 2]" 1
329 1 24 PRO QG 1 25 THR HA . . 5.350 4.138 4.057 4.267 . 0 0 "[ . 1 . 2]" 1
330 1 24 PRO QG 1 62 CYS QB . . 4.780 3.051 2.434 3.791 . 0 0 "[ . 1 . 2]" 1
331 1 24 PRO QG 1 85 LEU HA . . 5.350 3.724 3.526 4.056 . 0 0 "[ . 1 . 2]" 1
332 1 24 PRO QG 1 85 LEU QD . . 3.300 2.576 2.205 2.939 . 0 0 "[ . 1 . 2]" 1
333 1 24 PRO QG 1 88 LEU QB . . 3.800 2.788 2.171 3.227 . 0 0 "[ . 1 . 2]" 1
334 1 24 PRO QG 1 89 ARG H . . 4.150 3.245 2.537 3.926 . 0 0 "[ . 1 . 2]" 1
335 1 24 PRO QG 1 89 ARG HA . . 3.630 2.653 2.127 3.233 . 0 0 "[ . 1 . 2]" 1
336 1 24 PRO QG 1 89 ARG HB2 . . 5.340 3.712 3.341 4.002 . 0 0 "[ . 1 . 2]" 1
337 1 24 PRO QG 1 89 ARG HD2 . . 4.230 3.438 3.006 3.842 . 0 0 "[ . 1 . 2]" 1
338 1 24 PRO QG 1 89 ARG HD3 . . 4.410 3.975 3.172 4.212 . 0 0 "[ . 1 . 2]" 1
339 1 24 PRO QG 1 89 ARG HG2 . . 3.890 2.380 1.982 3.170 . 0 0 "[ . 1 . 2]" 1
340 1 24 PRO HG2 1 89 ARG HA . . 4.230 3.039 2.462 3.750 . 0 0 "[ . 1 . 2]" 1
341 1 24 PRO HG2 1 89 ARG HG2 . . 4.540 2.523 2.015 3.468 . 0 0 "[ . 1 . 2]" 1
342 1 24 PRO HG3 1 89 ARG HA . . 4.230 2.930 2.294 3.553 . 0 0 "[ . 1 . 2]" 1
343 1 24 PRO HG3 1 89 ARG HG2 . . 4.540 3.012 2.330 3.952 . 0 0 "[ . 1 . 2]" 1
344 1 25 THR H 1 25 THR HB . . 3.880 3.577 3.508 3.617 . 0 0 "[ . 1 . 2]" 1
345 1 25 THR H 1 25 THR MG . . 2.950 2.577 2.115 2.951 0.001 7 0 "[ . 1 . 2]" 1
346 1 25 THR H 1 26 LEU H . . 3.140 2.552 2.357 2.677 . 0 0 "[ . 1 . 2]" 1
347 1 25 THR H 1 26 LEU HB2 . . 5.220 4.869 4.642 5.124 . 0 0 "[ . 1 . 2]" 1
348 1 25 THR H 1 26 LEU QD . . 4.820 4.333 3.324 4.552 . 0 0 "[ . 1 . 2]" 1
349 1 25 THR H 1 26 LEU HG . . 5.330 4.079 3.823 5.360 0.030 10 0 "[ . 1 . 2]" 1
350 1 25 THR H 1 27 TRP H . . 4.560 4.068 3.862 4.306 . 0 0 "[ . 1 . 2]" 1
351 1 25 THR HA 1 25 THR HB . . 2.810 2.546 2.394 2.671 . 0 0 "[ . 1 . 2]" 1
352 1 25 THR HA 1 25 THR MG . . 3.020 2.235 2.139 2.403 . 0 0 "[ . 1 . 2]" 1
353 1 25 THR HA 1 26 LEU HA . . 5.200 4.660 4.626 4.681 . 0 0 "[ . 1 . 2]" 1
354 1 25 THR HA 1 26 LEU QD . . 4.990 4.818 4.460 4.996 0.006 7 0 "[ . 1 . 2]" 1
355 1 25 THR HA 1 27 TRP H . . 4.070 3.574 3.447 3.764 . 0 0 "[ . 1 . 2]" 1
356 1 25 THR HA 1 58 GLY HA2 . . 4.500 4.334 4.204 4.389 . 0 0 "[ . 1 . 2]" 1
357 1 25 THR HA 1 58 GLY HA3 . . 4.160 3.346 3.134 3.484 . 0 0 "[ . 1 . 2]" 1
358 1 25 THR HA 1 59 LYS HA . . 3.540 3.046 2.913 3.192 . 0 0 "[ . 1 . 2]" 1
359 1 25 THR HA 1 59 LYS HB2 . . 5.500 5.500 5.396 5.515 0.015 10 0 "[ . 1 . 2]" 1
360 1 25 THR HA 1 59 LYS HB3 . . 5.400 5.269 5.089 5.383 . 0 0 "[ . 1 . 2]" 1
361 1 25 THR HA 1 59 LYS HD2 . . 5.500 4.527 2.644 5.007 . 0 0 "[ . 1 . 2]" 1
362 1 25 THR HA 1 59 LYS QD . . 4.820 4.160 2.584 4.660 . 0 0 "[ . 1 . 2]" 1
363 1 25 THR HA 1 59 LYS HD3 . . 5.500 5.011 3.174 5.551 0.051 13 0 "[ . 1 . 2]" 1
364 1 25 THR HA 1 59 LYS QG . . 4.330 3.672 3.394 4.107 . 0 0 "[ . 1 . 2]" 1
365 1 25 THR HA 1 61 LEU QD . . 5.440 5.387 4.813 5.486 0.046 10 0 "[ . 1 . 2]" 1
366 1 25 THR HA 1 62 CYS H . . 4.910 4.553 4.331 4.669 . 0 0 "[ . 1 . 2]" 1
367 1 25 THR HA 1 62 CYS HB2 . . 5.100 4.482 3.559 4.961 . 0 0 "[ . 1 . 2]" 1
368 1 25 THR HA 1 62 CYS QB . . 4.260 3.541 3.416 3.794 . 0 0 "[ . 1 . 2]" 1
369 1 25 THR HA 1 62 CYS HB3 . . 5.100 3.958 3.501 4.791 . 0 0 "[ . 1 . 2]" 1
370 1 25 THR HA 1 62 CYS HG . . 4.560 3.456 2.182 4.100 . 0 0 "[ . 1 . 2]" 1
371 1 25 THR HB 1 26 LEU H . . 4.490 3.905 3.670 4.140 . 0 0 "[ . 1 . 2]" 1
372 1 25 THR HB 1 26 LEU QD . . 4.460 3.759 3.529 3.976 . 0 0 "[ . 1 . 2]" 1
373 1 25 THR HB 1 59 LYS H . . 5.500 5.311 5.026 5.454 . 0 0 "[ . 1 . 2]" 1
374 1 25 THR HB 1 59 LYS HA . . 4.120 3.864 3.448 3.968 . 0 0 "[ . 1 . 2]" 1
375 1 25 THR HB 1 59 LYS HB3 . . 5.320 5.246 4.675 5.328 0.008 13 0 "[ . 1 . 2]" 1
376 1 25 THR HB 1 59 LYS HD2 . . 5.130 3.322 2.043 3.706 . 0 0 "[ . 1 . 2]" 1
377 1 25 THR HB 1 59 LYS QD . . 4.330 3.065 1.981 3.555 . 0 0 "[ . 1 . 2]" 1
378 1 25 THR HB 1 59 LYS HD3 . . 5.130 3.965 1.998 4.574 . 0 0 "[ . 1 . 2]" 1
379 1 25 THR HB 1 59 LYS HE2 . . 5.390 2.613 2.055 4.302 . 0 0 "[ . 1 . 2]" 1
380 1 25 THR HB 1 59 LYS QE . . 4.690 2.224 1.910 3.985 . 0 0 "[ . 1 . 2]" 1
381 1 25 THR HB 1 59 LYS HE3 . . 5.390 2.562 1.994 4.706 . 0 0 "[ . 1 . 2]" 1
382 1 25 THR HB 1 59 LYS QG . . 4.080 3.737 3.412 4.085 0.005 6 0 "[ . 1 . 2]" 1
383 1 25 THR HB 1 62 CYS QB . . 5.340 4.857 4.506 5.061 . 0 0 "[ . 1 . 2]" 1
384 1 25 THR MG 1 26 LEU H . . 4.280 4.157 3.925 4.311 0.031 18 0 "[ . 1 . 2]" 1
385 1 25 THR MG 1 27 TRP H . . 5.500 5.071 4.972 5.207 . 0 0 "[ . 1 . 2]" 1
386 1 25 THR MG 1 58 GLY HA2 . . 5.500 5.515 5.399 5.549 0.049 2 0 "[ . 1 . 2]" 1
387 1 25 THR MG 1 59 LYS HA . . 3.450 3.027 2.528 3.453 0.003 17 0 "[ . 1 . 2]" 1
388 1 25 THR MG 1 59 LYS HE2 . . 4.860 2.864 2.085 4.831 . 0 0 "[ . 1 . 2]" 1
389 1 25 THR MG 1 59 LYS QE . . 4.210 2.528 1.992 4.153 . 0 0 "[ . 1 . 2]" 1
390 1 25 THR MG 1 59 LYS HE3 . . 4.860 2.898 2.333 4.860 0.000 7 0 "[ . 1 . 2]" 1
391 1 25 THR MG 1 62 CYS H . . 4.800 4.226 3.863 4.442 . 0 0 "[ . 1 . 2]" 1
392 1 25 THR MG 1 62 CYS HB2 . . 3.720 2.800 2.164 3.130 . 0 0 "[ . 1 . 2]" 1
393 1 25 THR MG 1 62 CYS QB . . 3.260 2.431 2.074 2.593 . 0 0 "[ . 1 . 2]" 1
394 1 25 THR MG 1 62 CYS HB3 . . 3.720 2.751 2.606 2.950 . 0 0 "[ . 1 . 2]" 1
395 1 25 THR MG 1 62 CYS HG . . 4.490 3.121 2.711 3.698 . 0 0 "[ . 1 . 2]" 1
396 1 25 THR MG 1 89 ARG HD2 . . 4.560 4.309 3.858 4.578 0.018 16 0 "[ . 1 . 2]" 1
397 1 25 THR MG 1 89 ARG HD3 . . 5.500 5.459 5.153 5.534 0.034 5 0 "[ . 1 . 2]" 1
398 1 25 THR MG 1 89 ARG HG2 . . 4.020 3.388 3.030 3.826 . 0 0 "[ . 1 . 2]" 1
399 1 26 LEU H 1 26 LEU HB2 . . 3.100 2.524 2.411 2.625 . 0 0 "[ . 1 . 2]" 1
400 1 26 LEU H 1 26 LEU HB3 . . 3.810 3.635 3.621 3.651 . 0 0 "[ . 1 . 2]" 1
401 1 26 LEU H 1 26 LEU MD1 . . 4.430 3.637 2.335 3.819 . 0 0 "[ . 1 . 2]" 1
402 1 26 LEU H 1 26 LEU QD . . 3.670 3.068 2.324 3.256 . 0 0 "[ . 1 . 2]" 1
403 1 26 LEU H 1 26 LEU MD2 . . 4.430 3.407 2.982 4.243 . 0 0 "[ . 1 . 2]" 1
404 1 26 LEU H 1 26 LEU HG . . 3.830 2.454 2.276 3.431 . 0 0 "[ . 1 . 2]" 1
405 1 26 LEU H 1 27 TRP H . . 3.040 2.457 2.299 2.614 . 0 0 "[ . 1 . 2]" 1
406 1 26 LEU H 1 27 TRP HA . . 5.170 4.820 4.734 4.900 . 0 0 "[ . 1 . 2]" 1
407 1 26 LEU H 1 27 TRP HB2 . . 4.730 4.550 4.428 4.636 . 0 0 "[ . 1 . 2]" 1
408 1 26 LEU H 1 27 TRP HD1 . . 4.750 4.391 4.089 4.623 . 0 0 "[ . 1 . 2]" 1
409 1 26 LEU H 1 58 GLY HA3 . . 4.930 4.771 4.625 4.850 . 0 0 "[ . 1 . 2]" 1
410 1 26 LEU HA 1 26 LEU MD1 . . 4.120 3.859 3.389 3.932 . 0 0 "[ . 1 . 2]" 1
411 1 26 LEU HA 1 26 LEU QD . . 3.250 2.245 2.019 3.067 . 0 0 "[ . 1 . 2]" 1
412 1 26 LEU HA 1 26 LEU MD2 . . 4.120 2.278 2.025 3.502 . 0 0 "[ . 1 . 2]" 1
413 1 26 LEU HA 1 26 LEU HG . . 3.900 3.163 2.414 3.389 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU HB2 1 26 LEU MD1 . . 3.520 2.323 2.066 2.455 . 0 0 "[ . 1 . 2]" 1
415 1 26 LEU HB2 1 26 LEU QD . . 2.870 2.267 2.003 2.379 . 0 0 "[ . 1 . 2]" 1
416 1 26 LEU HB2 1 26 LEU MD2 . . 3.520 3.162 2.694 3.192 . 0 0 "[ . 1 . 2]" 1
417 1 26 LEU HB2 1 27 TRP H . . 4.310 3.556 3.359 3.873 . 0 0 "[ . 1 . 2]" 1
418 1 26 LEU HB2 1 27 TRP HA . . 5.300 4.409 4.352 4.676 . 0 0 "[ . 1 . 2]" 1
419 1 26 LEU HB2 1 27 TRP HD1 . . 4.910 3.712 3.348 4.069 . 0 0 "[ . 1 . 2]" 1
420 1 26 LEU HB3 1 26 LEU MD1 . . 3.250 2.373 2.214 3.093 . 0 0 "[ . 1 . 2]" 1
421 1 26 LEU HB3 1 26 LEU MD2 . . 3.250 2.288 1.969 2.419 . 0 0 "[ . 1 . 2]" 1
422 1 26 LEU HB3 1 27 TRP H . . 4.710 4.313 4.190 4.432 . 0 0 "[ . 1 . 2]" 1
423 1 26 LEU HB3 1 27 TRP HA . . 5.120 4.819 4.694 4.922 . 0 0 "[ . 1 . 2]" 1
424 1 26 LEU HB3 1 27 TRP HD1 . . 5.040 4.757 4.277 5.052 0.012 7 0 "[ . 1 . 2]" 1
425 1 26 LEU QD 1 27 TRP H . . 4.770 4.331 4.216 4.393 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU QD 1 59 LYS QE . . 4.850 4.451 3.483 4.859 0.009 10 0 "[ . 1 . 2]" 1
427 1 26 LEU HG 1 27 TRP H . . 5.500 4.618 4.518 5.003 . 0 0 "[ . 1 . 2]" 1
428 1 27 TRP H 1 27 TRP HB2 . . 2.970 2.358 2.312 2.399 . 0 0 "[ . 1 . 2]" 1
429 1 27 TRP H 1 27 TRP HB3 . . 3.830 3.585 3.558 3.616 . 0 0 "[ . 1 . 2]" 1
430 1 27 TRP H 1 27 TRP HD1 . . 3.680 3.267 3.182 3.360 . 0 0 "[ . 1 . 2]" 1
431 1 27 TRP H 1 27 TRP HE3 . . 5.100 4.870 4.764 5.036 . 0 0 "[ . 1 . 2]" 1
432 1 27 TRP H 1 28 THR H . . 4.610 4.532 4.437 4.589 . 0 0 "[ . 1 . 2]" 1
433 1 27 TRP H 1 32 VAL MG2 . . 4.560 4.518 4.391 4.581 0.021 18 0 "[ . 1 . 2]" 1
434 1 27 TRP H 1 58 GLY H . . 4.660 4.509 4.180 4.667 0.007 20 0 "[ . 1 . 2]" 1
435 1 27 TRP H 1 58 GLY HA2 . . 4.430 4.325 4.204 4.421 . 0 0 "[ . 1 . 2]" 1
436 1 27 TRP H 1 58 GLY HA3 . . 3.500 2.869 2.671 2.976 . 0 0 "[ . 1 . 2]" 1
437 1 27 TRP H 1 59 LYS H . . 5.120 5.103 4.836 5.131 0.011 6 0 "[ . 1 . 2]" 1
438 1 27 TRP H 1 59 LYS QG . . 5.340 5.135 4.887 5.341 0.001 6 0 "[ . 1 . 2]" 1
439 1 27 TRP HA 1 27 TRP HD1 . . 3.190 2.109 2.026 2.191 . 0 0 "[ . 1 . 2]" 1
440 1 27 TRP HA 1 27 TRP HE1 . . 4.670 4.594 4.531 4.665 . 0 0 "[ . 1 . 2]" 1
441 1 27 TRP HA 1 28 THR H . . 2.950 2.157 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
442 1 27 TRP HA 1 28 THR HA . . 4.910 4.365 4.354 4.378 . 0 0 "[ . 1 . 2]" 1
443 1 27 TRP HA 1 28 THR MG . . 3.900 3.462 3.411 3.523 . 0 0 "[ . 1 . 2]" 1
444 1 27 TRP HA 1 31 HIS H . . 4.990 4.818 4.710 4.966 . 0 0 "[ . 1 . 2]" 1
445 1 27 TRP HA 1 31 HIS HB2 . . 4.160 2.718 2.595 2.861 . 0 0 "[ . 1 . 2]" 1
446 1 27 TRP HA 1 31 HIS HB3 . . 4.200 3.073 2.920 3.230 . 0 0 "[ . 1 . 2]" 1
447 1 27 TRP HA 1 31 HIS HE1 . . 4.800 4.285 4.259 4.313 . 0 0 "[ . 1 . 2]" 1
448 1 27 TRP HA 1 32 VAL H . . 4.910 4.721 4.597 4.827 . 0 0 "[ . 1 . 2]" 1
449 1 27 TRP HA 1 32 VAL MG2 . . 4.430 4.363 4.265 4.435 0.005 16 0 "[ . 1 . 2]" 1
450 1 27 TRP HB2 1 27 TRP HE3 . . 3.690 2.818 2.781 2.869 . 0 0 "[ . 1 . 2]" 1
451 1 27 TRP HB2 1 28 THR H . . 4.490 4.279 4.231 4.344 . 0 0 "[ . 1 . 2]" 1
452 1 27 TRP HB2 1 32 VAL H . . 4.710 4.266 4.132 4.370 . 0 0 "[ . 1 . 2]" 1
453 1 27 TRP HB2 1 32 VAL HB . . 5.500 5.464 5.333 5.527 0.027 14 0 "[ . 1 . 2]" 1
454 1 27 TRP HB2 1 32 VAL MG2 . . 3.430 2.607 2.526 2.698 . 0 0 "[ . 1 . 2]" 1
455 1 27 TRP HB2 1 58 GLY H . . 3.760 3.516 3.371 3.587 . 0 0 "[ . 1 . 2]" 1
456 1 27 TRP HB2 1 58 GLY HA2 . . 3.720 2.706 2.592 2.839 . 0 0 "[ . 1 . 2]" 1
457 1 27 TRP HB2 1 58 GLY HA3 . . 3.560 2.134 2.005 2.291 . 0 0 "[ . 1 . 2]" 1
458 1 27 TRP HB2 1 59 LYS H . . 5.290 4.991 4.871 5.148 . 0 0 "[ . 1 . 2]" 1
459 1 27 TRP HB2 1 61 LEU QD . . 4.950 3.694 3.470 4.410 . 0 0 "[ . 1 . 2]" 1
460 1 27 TRP HB3 1 27 TRP HE3 . . 3.920 3.079 3.024 3.120 . 0 0 "[ . 1 . 2]" 1
461 1 27 TRP HB3 1 27 TRP HZ3 . . 5.500 5.376 5.329 5.412 . 0 0 "[ . 1 . 2]" 1
462 1 27 TRP HB3 1 28 THR H . . 4.070 3.280 3.164 3.427 . 0 0 "[ . 1 . 2]" 1
463 1 27 TRP HB3 1 28 THR MG . . 5.400 4.923 4.873 4.984 . 0 0 "[ . 1 . 2]" 1
464 1 27 TRP HB3 1 31 HIS H . . 4.550 4.374 4.300 4.443 . 0 0 "[ . 1 . 2]" 1
465 1 27 TRP HB3 1 31 HIS HA . . 4.910 4.636 4.507 4.760 . 0 0 "[ . 1 . 2]" 1
466 1 27 TRP HB3 1 31 HIS HB3 . . 3.620 2.387 2.212 2.590 . 0 0 "[ . 1 . 2]" 1
467 1 27 TRP HB3 1 32 VAL H . . 3.940 2.795 2.710 2.862 . 0 0 "[ . 1 . 2]" 1
468 1 27 TRP HB3 1 32 VAL MG2 . . 3.320 2.282 2.100 2.462 . 0 0 "[ . 1 . 2]" 1
469 1 27 TRP HB3 1 58 GLY H . . 4.430 3.885 3.688 4.075 . 0 0 "[ . 1 . 2]" 1
470 1 27 TRP HB3 1 58 GLY HA3 . . 3.880 3.498 3.312 3.737 . 0 0 "[ . 1 . 2]" 1
471 1 27 TRP HD1 1 28 THR H . . 4.330 4.110 3.954 4.249 . 0 0 "[ . 1 . 2]" 1
472 1 27 TRP HD1 1 31 HIS HB3 . . 4.710 3.481 3.322 3.580 . 0 0 "[ . 1 . 2]" 1
473 1 27 TRP HE1 1 88 LEU QD . . 4.820 4.013 3.744 4.343 . 0 0 "[ . 1 . 2]" 1
474 1 27 TRP HE3 1 31 HIS HB2 . . 5.500 5.208 5.139 5.299 . 0 0 "[ . 1 . 2]" 1
475 1 27 TRP HE3 1 31 HIS HB3 . . 4.910 4.423 4.331 4.513 . 0 0 "[ . 1 . 2]" 1
476 1 27 TRP HE3 1 32 VAL H . . 4.700 4.507 4.385 4.594 . 0 0 "[ . 1 . 2]" 1
477 1 27 TRP HE3 1 32 VAL HA . . 3.390 2.855 2.671 2.954 . 0 0 "[ . 1 . 2]" 1
478 1 27 TRP HE3 1 32 VAL HB . . 5.350 5.115 4.972 5.216 . 0 0 "[ . 1 . 2]" 1
479 1 27 TRP HE3 1 32 VAL MG1 . . 4.120 3.769 3.648 3.868 . 0 0 "[ . 1 . 2]" 1
480 1 27 TRP HE3 1 32 VAL MG2 . . 2.880 2.523 2.312 2.792 . 0 0 "[ . 1 . 2]" 1
481 1 27 TRP HE3 1 35 TRP HB3 . . 4.970 4.143 3.953 4.342 . 0 0 "[ . 1 . 2]" 1
482 1 27 TRP HE3 1 35 TRP HE3 . . 5.200 4.190 3.968 4.460 . 0 0 "[ . 1 . 2]" 1
483 1 27 TRP HE3 1 58 GLY H . . 5.500 5.396 5.294 5.483 . 0 0 "[ . 1 . 2]" 1
484 1 27 TRP HE3 1 58 GLY HA2 . . 4.490 3.445 3.302 3.608 . 0 0 "[ . 1 . 2]" 1
485 1 27 TRP HE3 1 58 GLY HA3 . . 4.430 4.209 4.069 4.327 . 0 0 "[ . 1 . 2]" 1
486 1 27 TRP HE3 1 61 LEU HB2 . . 5.500 4.815 4.552 5.191 . 0 0 "[ . 1 . 2]" 1
487 1 27 TRP HE3 1 61 LEU QD . . 3.500 2.098 1.921 3.032 . 0 0 "[ . 1 . 2]" 1
488 1 27 TRP HE3 1 61 LEU HG . . 5.500 4.147 3.730 4.340 . 0 0 "[ . 1 . 2]" 1
489 1 27 TRP HH2 1 35 TRP HB2 . . 4.630 4.031 3.912 4.239 . 0 0 "[ . 1 . 2]" 1
490 1 27 TRP HH2 1 35 TRP HB3 . . 4.800 4.479 4.288 4.741 . 0 0 "[ . 1 . 2]" 1
491 1 27 TRP HH2 1 35 TRP HD1 . . 4.160 3.408 3.292 3.625 . 0 0 "[ . 1 . 2]" 1
492 1 27 TRP HH2 1 61 LEU QD . . 5.000 4.218 4.100 4.584 . 0 0 "[ . 1 . 2]" 1
493 1 27 TRP HH2 1 84 HIS HE1 . . 5.120 4.085 3.900 4.318 . 0 0 "[ . 1 . 2]" 1
494 1 27 TRP HH2 1 85 LEU MD1 . . 5.500 3.043 2.648 3.340 . 0 0 "[ . 1 . 2]" 1
495 1 27 TRP HH2 1 85 LEU QD . . 3.960 3.023 2.638 3.308 . 0 0 "[ . 1 . 2]" 1
496 1 27 TRP HH2 1 85 LEU MD2 . . 5.500 5.208 5.028 5.388 . 0 0 "[ . 1 . 2]" 1
497 1 27 TRP HH2 1 88 LEU QB . . 5.340 4.162 3.910 4.401 . 0 0 "[ . 1 . 2]" 1
498 1 27 TRP HH2 1 88 LEU QD . . 3.390 2.394 2.063 2.686 . 0 0 "[ . 1 . 2]" 1
499 1 27 TRP HZ2 1 88 LEU QB . . 4.690 4.076 3.884 4.375 . 0 0 "[ . 1 . 2]" 1
500 1 27 TRP HZ2 1 88 LEU QD . . 3.180 2.179 1.968 2.557 . 0 0 "[ . 1 . 2]" 1
501 1 27 TRP HZ3 1 32 VAL HA . . 4.380 4.094 3.976 4.257 . 0 0 "[ . 1 . 2]" 1
502 1 27 TRP HZ3 1 32 VAL MG1 . . 4.800 4.499 4.392 4.593 . 0 0 "[ . 1 . 2]" 1
503 1 27 TRP HZ3 1 32 VAL MG2 . . 4.820 4.438 4.292 4.610 . 0 0 "[ . 1 . 2]" 1
504 1 27 TRP HZ3 1 35 TRP HB2 . . 4.380 4.206 4.054 4.354 . 0 0 "[ . 1 . 2]" 1
505 1 27 TRP HZ3 1 35 TRP HB3 . . 4.200 3.707 3.526 3.936 . 0 0 "[ . 1 . 2]" 1
506 1 27 TRP HZ3 1 35 TRP HE3 . . 4.200 3.160 2.895 3.442 . 0 0 "[ . 1 . 2]" 1
507 1 27 TRP HZ3 1 61 LEU MD1 . . 4.800 4.095 2.802 4.484 . 0 0 "[ . 1 . 2]" 1
508 1 27 TRP HZ3 1 61 LEU QD . . 3.280 2.157 2.008 2.784 . 0 0 "[ . 1 . 2]" 1
509 1 27 TRP HZ3 1 61 LEU MD2 . . 4.800 2.355 2.013 4.744 . 0 0 "[ . 1 . 2]" 1
510 1 27 TRP HZ3 1 61 LEU HG . . 5.350 4.120 4.036 4.282 . 0 0 "[ . 1 . 2]" 1
511 1 27 TRP HZ3 1 85 LEU MD1 . . 4.550 2.247 2.038 2.406 . 0 0 "[ . 1 . 2]" 1
512 1 27 TRP HZ3 1 85 LEU QD . . 3.600 2.239 2.033 2.394 . 0 0 "[ . 1 . 2]" 1
513 1 27 TRP HZ3 1 85 LEU MD2 . . 4.550 4.256 3.991 4.456 . 0 0 "[ . 1 . 2]" 1
514 1 27 TRP HZ3 1 85 LEU HG . . 5.500 4.105 3.751 4.378 . 0 0 "[ . 1 . 2]" 1
515 1 27 TRP HZ3 1 88 LEU QD . . 4.400 4.101 3.562 4.409 0.009 19 0 "[ . 1 . 2]" 1
516 1 28 THR H 1 28 THR MG . . 3.050 2.039 1.938 2.174 . 0 0 "[ . 1 . 2]" 1
517 1 28 THR H 1 31 HIS H . . 3.910 3.220 3.159 3.308 . 0 0 "[ . 1 . 2]" 1
518 1 28 THR H 1 31 HIS HB2 . . 3.570 1.981 1.944 2.048 . 0 0 "[ . 1 . 2]" 1
519 1 28 THR H 1 31 HIS HB3 . . 4.020 3.419 3.360 3.474 . 0 0 "[ . 1 . 2]" 1
520 1 28 THR H 1 32 VAL H . . 4.800 4.099 4.029 4.206 . 0 0 "[ . 1 . 2]" 1
521 1 28 THR H 1 32 VAL MG2 . . 4.800 4.376 4.293 4.527 . 0 0 "[ . 1 . 2]" 1
522 1 28 THR H 1 58 GLY H . . 5.080 4.682 4.576 4.800 . 0 0 "[ . 1 . 2]" 1
523 1 28 THR HA 1 28 THR MG . . 2.570 2.463 2.404 2.503 . 0 0 "[ . 1 . 2]" 1
524 1 28 THR HA 1 29 GLN H . . 2.670 2.605 2.558 2.656 . 0 0 "[ . 1 . 2]" 1
525 1 28 THR HA 1 57 ASP HB2 . . 4.500 4.352 4.295 4.436 . 0 0 "[ . 1 . 2]" 1
526 1 28 THR HA 1 57 ASP HB3 . . 4.640 4.637 4.550 4.650 0.010 4 0 "[ . 1 . 2]" 1
527 1 28 THR HA 1 58 GLY H . . 4.420 3.561 3.451 3.771 . 0 0 "[ . 1 . 2]" 1
528 1 28 THR MG 1 29 GLN H . . 3.990 3.707 3.667 3.729 . 0 0 "[ . 1 . 2]" 1
529 1 28 THR MG 1 30 GLU H . . 4.330 4.071 4.049 4.102 . 0 0 "[ . 1 . 2]" 1
530 1 28 THR MG 1 30 GLU QB . . 5.340 4.275 4.251 4.325 . 0 0 "[ . 1 . 2]" 1
531 1 28 THR MG 1 31 HIS H . . 4.430 3.903 3.867 3.963 . 0 0 "[ . 1 . 2]" 1
532 1 28 THR MG 1 31 HIS HB2 . . 4.560 3.631 3.561 3.713 . 0 0 "[ . 1 . 2]" 1
533 1 28 THR MG 1 31 HIS HB3 . . 4.920 4.843 4.805 4.917 . 0 0 "[ . 1 . 2]" 1
534 1 28 THR MG 1 31 HIS HE1 . . 3.440 3.336 3.161 3.441 0.001 17 0 "[ . 1 . 2]" 1
535 1 29 GLN H 1 29 GLN HB2 . . 3.130 2.072 2.063 2.077 . 0 0 "[ . 1 . 2]" 1
536 1 29 GLN H 1 29 GLN HB3 . . 3.590 3.182 3.164 3.235 . 0 0 "[ . 1 . 2]" 1
537 1 29 GLN H 1 29 GLN QE . . 4.870 4.451 3.870 4.870 . 0 0 "[ . 1 . 2]" 1
538 1 29 GLN H 1 29 GLN HG3 . . 3.730 3.720 3.611 3.749 0.019 5 0 "[ . 1 . 2]" 1
539 1 29 GLN H 1 30 GLU H . . 3.540 2.637 2.619 2.656 . 0 0 "[ . 1 . 2]" 1
540 1 29 GLN H 1 31 HIS H . . 4.610 4.319 4.257 4.353 . 0 0 "[ . 1 . 2]" 1
541 1 29 GLN H 1 32 VAL MG2 . . 5.170 4.877 4.752 4.976 . 0 0 "[ . 1 . 2]" 1
542 1 29 GLN H 1 57 ASP HA . . 4.450 3.990 3.820 4.184 . 0 0 "[ . 1 . 2]" 1
543 1 29 GLN H 1 57 ASP HB2 . . 5.020 5.032 5.009 5.052 0.032 10 0 "[ . 1 . 2]" 1
544 1 29 GLN H 1 57 ASP HB3 . . 4.400 4.340 4.298 4.381 . 0 0 "[ . 1 . 2]" 1
545 1 29 GLN HA 1 32 VAL H . . 4.280 4.217 4.163 4.264 . 0 0 "[ . 1 . 2]" 1
546 1 29 GLN HA 1 32 VAL HB . . 3.930 3.696 3.643 3.772 . 0 0 "[ . 1 . 2]" 1
547 1 29 GLN HA 1 32 VAL MG2 . . 3.660 3.430 3.333 3.562 . 0 0 "[ . 1 . 2]" 1
548 1 29 GLN HA 1 33 ARG H . . 5.290 5.113 4.993 5.200 . 0 0 "[ . 1 . 2]" 1
549 1 29 GLN HA 1 57 ASP HB2 . . 4.710 4.683 4.616 4.717 0.007 14 0 "[ . 1 . 2]" 1
550 1 29 GLN HB2 1 29 GLN QE . . 4.420 2.838 2.106 3.329 . 0 0 "[ . 1 . 2]" 1
551 1 29 GLN HB2 1 30 GLU H . . 3.840 3.650 3.595 3.670 . 0 0 "[ . 1 . 2]" 1
552 1 29 GLN HB2 1 57 ASP HA . . 4.910 4.407 4.226 4.609 . 0 0 "[ . 1 . 2]" 1
553 1 29 GLN HB2 1 57 ASP HB3 . . 5.040 4.267 4.203 4.352 . 0 0 "[ . 1 . 2]" 1
554 1 29 GLN HB3 1 29 GLN HE22 . . 5.500 4.327 3.848 4.676 . 0 0 "[ . 1 . 2]" 1
555 1 29 GLN HB3 1 30 GLU H . . 4.030 3.390 3.349 3.440 . 0 0 "[ . 1 . 2]" 1
556 1 29 GLN HB3 1 31 HIS H . . 5.500 5.530 5.500 5.561 0.061 5 0 "[ . 1 . 2]" 1
557 1 29 GLN HB3 1 57 ASP HB3 . . 5.500 5.509 5.499 5.522 0.022 13 0 "[ . 1 . 2]" 1
558 1 29 GLN QE 1 29 GLN HG3 . . 3.310 2.239 2.100 2.551 . 0 0 "[ . 1 . 2]" 1
559 1 29 GLN QE 1 57 ASP HB3 . . 4.810 3.807 3.103 4.568 . 0 0 "[ . 1 . 2]" 1
560 1 29 GLN HG2 1 30 GLU H . . 5.490 5.042 4.986 5.134 . 0 0 "[ . 1 . 2]" 1
561 1 29 GLN HG2 1 30 GLU HA . . 5.500 5.382 5.334 5.501 0.001 8 0 "[ . 1 . 2]" 1
562 1 29 GLN HG2 1 32 VAL MG2 . . 5.500 5.244 5.023 5.438 . 0 0 "[ . 1 . 2]" 1
563 1 29 GLN HG2 1 56 MET H . . 4.070 3.656 3.202 4.000 . 0 0 "[ . 1 . 2]" 1
564 1 29 GLN HG3 1 30 GLU H . . 5.500 5.250 5.173 5.316 . 0 0 "[ . 1 . 2]" 1
565 1 29 GLN HG3 1 32 VAL MG2 . . 5.500 5.171 4.925 5.397 . 0 0 "[ . 1 . 2]" 1
566 1 29 GLN HG3 1 57 ASP H . . 4.950 3.441 3.223 3.558 . 0 0 "[ . 1 . 2]" 1
567 1 29 GLN HG3 1 57 ASP HA . . 4.300 3.284 3.034 3.491 . 0 0 "[ . 1 . 2]" 1
568 1 29 GLN HG3 1 57 ASP HB2 . . 4.770 4.567 4.431 4.676 . 0 0 "[ . 1 . 2]" 1
569 1 29 GLN HG3 1 57 ASP HB3 . . 3.600 2.950 2.847 3.018 . 0 0 "[ . 1 . 2]" 1
570 1 30 GLU H 1 30 GLU HB2 . . 3.390 2.818 2.622 2.930 . 0 0 "[ . 1 . 2]" 1
571 1 30 GLU H 1 30 GLU QB . . 2.970 2.323 2.285 2.356 . 0 0 "[ . 1 . 2]" 1
572 1 30 GLU H 1 30 GLU HB3 . . 3.390 2.481 2.390 2.668 . 0 0 "[ . 1 . 2]" 1
573 1 30 GLU H 1 30 GLU HG2 . . 5.320 4.528 4.339 4.700 . 0 0 "[ . 1 . 2]" 1
574 1 30 GLU H 1 30 GLU QG . . 4.540 3.992 3.930 4.077 . 0 0 "[ . 1 . 2]" 1
575 1 30 GLU H 1 30 GLU HG3 . . 5.320 4.447 4.384 4.505 . 0 0 "[ . 1 . 2]" 1
576 1 30 GLU H 1 31 HIS H . . 3.360 2.260 2.225 2.290 . 0 0 "[ . 1 . 2]" 1
577 1 30 GLU H 1 31 HIS HB2 . . 5.170 4.111 4.082 4.149 . 0 0 "[ . 1 . 2]" 1
578 1 30 GLU HA 1 30 GLU HG2 . . 3.830 3.672 3.490 3.801 . 0 0 "[ . 1 . 2]" 1
579 1 30 GLU HA 1 30 GLU QG . . 3.280 2.557 2.421 2.932 . 0 0 "[ . 1 . 2]" 1
580 1 30 GLU HA 1 30 GLU HG3 . . 3.830 2.612 2.464 3.050 . 0 0 "[ . 1 . 2]" 1
581 1 30 GLU HA 1 33 ARG H . . 3.880 3.496 3.468 3.545 . 0 0 "[ . 1 . 2]" 1
582 1 30 GLU HA 1 33 ARG HB2 . . 3.460 3.031 2.878 3.260 . 0 0 "[ . 1 . 2]" 1
583 1 30 GLU HA 1 33 ARG HD2 . . 5.500 4.117 2.778 4.722 . 0 0 "[ . 1 . 2]" 1
584 1 30 GLU HA 1 33 ARG QD . . 4.770 3.316 2.364 4.127 . 0 0 "[ . 1 . 2]" 1
585 1 30 GLU HA 1 33 ARG HD3 . . 5.500 3.597 2.559 4.553 . 0 0 "[ . 1 . 2]" 1
586 1 30 GLU HA 1 34 GLN QG . . 5.160 4.931 4.308 5.152 . 0 0 "[ . 1 . 2]" 1
587 1 30 GLU QB 1 31 HIS H . . 3.310 2.547 2.465 2.626 . 0 0 "[ . 1 . 2]" 1
588 1 30 GLU QB 1 31 HIS HA . . 4.600 4.108 3.920 4.197 . 0 0 "[ . 1 . 2]" 1
589 1 30 GLU QB 1 31 HIS HD2 . . 4.910 4.580 4.292 4.866 . 0 0 "[ . 1 . 2]" 1
590 1 30 GLU HB2 1 31 HIS H . . 3.950 3.877 3.693 3.941 . 0 0 "[ . 1 . 2]" 1
591 1 30 GLU HB3 1 31 HIS H . . 3.950 2.583 2.504 2.668 . 0 0 "[ . 1 . 2]" 1
592 1 30 GLU QG 1 31 HIS H . . 3.970 3.580 3.371 3.837 . 0 0 "[ . 1 . 2]" 1
593 1 30 GLU QG 1 34 GLN QE . . 4.110 2.806 1.844 3.930 . 0 0 "[ . 1 . 2]" 1
594 1 30 GLU HG2 1 31 HIS HD2 . . 5.500 4.536 3.923 5.395 . 0 0 "[ . 1 . 2]" 1
595 1 30 GLU HG3 1 31 HIS HD2 . . 5.500 5.111 4.313 5.481 . 0 0 "[ . 1 . 2]" 1
596 1 31 HIS H 1 31 HIS HB2 . . 3.300 2.276 2.250 2.306 . 0 0 "[ . 1 . 2]" 1
597 1 31 HIS H 1 31 HIS HB3 . . 4.030 3.544 3.533 3.556 . 0 0 "[ . 1 . 2]" 1
598 1 31 HIS H 1 31 HIS HD2 . . 4.280 3.894 3.736 4.023 . 0 0 "[ . 1 . 2]" 1
599 1 31 HIS H 1 32 VAL H . . 3.270 2.891 2.833 2.929 . 0 0 "[ . 1 . 2]" 1
600 1 31 HIS H 1 32 VAL HB . . 5.140 4.988 4.924 5.028 . 0 0 "[ . 1 . 2]" 1
601 1 31 HIS H 1 32 VAL MG2 . . 4.630 4.419 4.319 4.536 . 0 0 "[ . 1 . 2]" 1
602 1 31 HIS H 1 33 ARG H . . 4.700 4.085 4.044 4.160 . 0 0 "[ . 1 . 2]" 1
603 1 31 HIS H 1 33 ARG HB2 . . 5.500 5.244 5.077 5.442 . 0 0 "[ . 1 . 2]" 1
604 1 31 HIS H 1 34 GLN HB2 . . 5.500 4.994 4.804 5.195 . 0 0 "[ . 1 . 2]" 1
605 1 31 HIS HA 1 31 HIS HD2 . . 3.090 2.154 2.132 2.172 . 0 0 "[ . 1 . 2]" 1
606 1 31 HIS HA 1 32 VAL MG2 . . 5.350 5.095 5.021 5.142 . 0 0 "[ . 1 . 2]" 1
607 1 31 HIS HA 1 33 ARG H . . 5.040 4.003 3.956 4.124 . 0 0 "[ . 1 . 2]" 1
608 1 31 HIS HA 1 34 GLN H . . 3.820 3.341 3.179 3.542 . 0 0 "[ . 1 . 2]" 1
609 1 31 HIS HA 1 34 GLN HB2 . . 3.530 2.572 2.379 2.775 . 0 0 "[ . 1 . 2]" 1
610 1 31 HIS HA 1 34 GLN HB3 . . 4.410 4.126 3.908 4.378 . 0 0 "[ . 1 . 2]" 1
611 1 31 HIS HA 1 34 GLN QG . . 4.110 4.030 3.064 4.116 0.006 11 0 "[ . 1 . 2]" 1
612 1 31 HIS HA 1 35 TRP H . . 4.560 3.758 3.642 3.909 . 0 0 "[ . 1 . 2]" 1
613 1 31 HIS HB2 1 32 VAL H . . 3.540 2.566 2.526 2.609 . 0 0 "[ . 1 . 2]" 1
614 1 31 HIS HB2 1 32 VAL MG2 . . 4.380 3.610 3.527 3.684 . 0 0 "[ . 1 . 2]" 1
615 1 31 HIS HB3 1 31 HIS HD2 . . 3.850 3.457 3.421 3.494 . 0 0 "[ . 1 . 2]" 1
616 1 31 HIS HB3 1 31 HIS HE1 . . 5.040 5.009 4.990 5.027 . 0 0 "[ . 1 . 2]" 1
617 1 31 HIS HB3 1 32 VAL H . . 3.790 3.125 3.060 3.199 . 0 0 "[ . 1 . 2]" 1
618 1 31 HIS HB3 1 32 VAL HA . . 4.710 4.025 3.986 4.081 . 0 0 "[ . 1 . 2]" 1
619 1 31 HIS HB3 1 32 VAL MG2 . . 4.120 3.885 3.734 3.976 . 0 0 "[ . 1 . 2]" 1
620 1 31 HIS HD2 1 34 GLN HB2 . . 4.060 3.579 3.384 3.762 . 0 0 "[ . 1 . 2]" 1
621 1 31 HIS HD2 1 34 GLN HB3 . . 4.910 4.559 4.226 4.855 . 0 0 "[ . 1 . 2]" 1
622 1 32 VAL H 1 32 VAL HB . . 2.980 2.555 2.514 2.575 . 0 0 "[ . 1 . 2]" 1
623 1 32 VAL H 1 32 VAL MG1 . . 3.830 3.766 3.762 3.767 . 0 0 "[ . 1 . 2]" 1
624 1 32 VAL H 1 32 VAL MG2 . . 2.970 2.241 2.135 2.335 . 0 0 "[ . 1 . 2]" 1
625 1 32 VAL H 1 33 ARG H . . 3.310 2.785 2.774 2.796 . 0 0 "[ . 1 . 2]" 1
626 1 32 VAL H 1 33 ARG HB2 . . 5.500 5.068 4.889 5.274 . 0 0 "[ . 1 . 2]" 1
627 1 32 VAL H 1 33 ARG QG . . 4.690 4.311 3.933 4.630 . 0 0 "[ . 1 . 2]" 1
628 1 32 VAL H 1 35 TRP HB3 . . 5.500 5.139 5.043 5.238 . 0 0 "[ . 1 . 2]" 1
629 1 32 VAL HA 1 32 VAL MG1 . . 3.090 2.362 2.346 2.413 . 0 0 "[ . 1 . 2]" 1
630 1 32 VAL HA 1 32 VAL MG2 . . 2.990 2.266 2.219 2.353 . 0 0 "[ . 1 . 2]" 1
631 1 32 VAL HA 1 35 TRP H . . 4.120 3.967 3.914 4.019 . 0 0 "[ . 1 . 2]" 1
632 1 32 VAL HA 1 35 TRP HB2 . . 4.550 4.217 3.980 4.499 . 0 0 "[ . 1 . 2]" 1
633 1 32 VAL HA 1 35 TRP HB3 . . 3.620 3.005 2.887 3.143 . 0 0 "[ . 1 . 2]" 1
634 1 32 VAL HA 1 35 TRP HE3 . . 4.350 3.366 3.301 3.466 . 0 0 "[ . 1 . 2]" 1
635 1 32 VAL HA 1 36 LEU H . . 4.460 4.364 4.261 4.456 . 0 0 "[ . 1 . 2]" 1
636 1 32 VAL HA 1 36 LEU HB2 . . 5.460 4.891 4.691 5.121 . 0 0 "[ . 1 . 2]" 1
637 1 32 VAL HA 1 36 LEU MD1 . . 5.040 4.732 4.530 4.952 . 0 0 "[ . 1 . 2]" 1
638 1 32 VAL HA 1 61 LEU HB2 . . 5.500 4.964 4.855 5.319 . 0 0 "[ . 1 . 2]" 1
639 1 32 VAL HA 1 61 LEU HB3 . . 5.500 5.165 5.099 5.431 . 0 0 "[ . 1 . 2]" 1
640 1 32 VAL HA 1 61 LEU MD1 . . 5.410 4.555 4.248 4.921 . 0 0 "[ . 1 . 2]" 1
641 1 32 VAL HA 1 61 LEU QD . . 4.390 2.804 2.580 4.400 0.010 19 0 "[ . 1 . 2]" 1
642 1 32 VAL HA 1 61 LEU MD2 . . 5.410 2.921 2.603 5.425 0.015 17 0 "[ . 1 . 2]" 1
643 1 32 VAL HA 1 61 LEU HG . . 5.500 5.419 4.217 5.569 0.069 11 0 "[ . 1 . 2]" 1
644 1 32 VAL HB 1 33 ARG H . . 3.140 2.857 2.763 2.903 . 0 0 "[ . 1 . 2]" 1
645 1 32 VAL HB 1 33 ARG HA . . 5.040 4.389 4.362 4.432 . 0 0 "[ . 1 . 2]" 1
646 1 32 VAL HB 1 33 ARG QD . . 5.340 5.214 4.814 5.356 0.016 7 0 "[ . 1 . 2]" 1
647 1 32 VAL HB 1 33 ARG QG . . 4.540 3.363 3.160 3.542 . 0 0 "[ . 1 . 2]" 1
648 1 32 VAL HB 1 53 PHE HB3 . . 4.560 4.153 4.009 4.366 . 0 0 "[ . 1 . 2]" 1
649 1 32 VAL HB 1 56 MET H . . 4.970 4.248 4.056 4.405 . 0 0 "[ . 1 . 2]" 1
650 1 32 VAL HB 1 61 LEU QD . . 5.440 3.837 3.612 5.210 . 0 0 "[ . 1 . 2]" 1
651 1 32 VAL MG1 1 33 ARG H . . 3.780 3.602 3.527 3.642 . 0 0 "[ . 1 . 2]" 1
652 1 32 VAL MG1 1 33 ARG HA . . 3.760 3.590 3.455 3.644 . 0 0 "[ . 1 . 2]" 1
653 1 32 VAL MG1 1 33 ARG HB2 . . 5.500 5.251 5.139 5.386 . 0 0 "[ . 1 . 2]" 1
654 1 32 VAL MG1 1 33 ARG HB3 . . 5.500 5.382 5.236 5.496 . 0 0 "[ . 1 . 2]" 1
655 1 32 VAL MG1 1 33 ARG QD . . 5.340 5.200 5.040 5.345 0.005 8 0 "[ . 1 . 2]" 1
656 1 32 VAL MG1 1 33 ARG QG . . 4.640 3.560 3.476 3.665 . 0 0 "[ . 1 . 2]" 1
657 1 32 VAL MG1 1 35 TRP H . . 5.500 5.143 5.010 5.289 . 0 0 "[ . 1 . 2]" 1
658 1 32 VAL MG1 1 35 TRP HB3 . . 4.600 4.201 3.991 4.415 . 0 0 "[ . 1 . 2]" 1
659 1 32 VAL MG1 1 35 TRP HE3 . . 4.090 3.186 3.007 3.435 . 0 0 "[ . 1 . 2]" 1
660 1 32 VAL MG1 1 35 TRP HZ3 . . 4.200 3.896 3.795 4.029 . 0 0 "[ . 1 . 2]" 1
661 1 32 VAL MG1 1 36 LEU H . . 4.630 4.410 4.310 4.533 . 0 0 "[ . 1 . 2]" 1
662 1 32 VAL MG1 1 36 LEU HA . . 5.500 5.368 5.274 5.476 . 0 0 "[ . 1 . 2]" 1
663 1 32 VAL MG1 1 36 LEU MD1 . . 3.290 3.188 3.104 3.257 . 0 0 "[ . 1 . 2]" 1
664 1 32 VAL MG1 1 53 PHE H . . 5.500 5.280 5.172 5.458 . 0 0 "[ . 1 . 2]" 1
665 1 32 VAL MG1 1 53 PHE HA . . 4.240 3.755 3.649 3.880 . 0 0 "[ . 1 . 2]" 1
666 1 32 VAL MG1 1 53 PHE HB2 . . 3.900 3.266 3.082 3.485 . 0 0 "[ . 1 . 2]" 1
667 1 32 VAL MG1 1 53 PHE HB3 . . 3.480 2.044 1.949 2.239 . 0 0 "[ . 1 . 2]" 1
668 1 32 VAL MG1 1 53 PHE QD . . 3.640 2.909 2.702 3.103 . 0 0 "[ . 1 . 2]" 1
669 1 32 VAL MG1 1 54 GLN HA . . 5.500 5.497 5.323 5.522 0.022 1 0 "[ . 1 . 2]" 1
670 1 32 VAL MG1 1 56 MET H . . 4.420 3.739 3.626 3.848 . 0 0 "[ . 1 . 2]" 1
671 1 32 VAL MG1 1 56 MET HA . . 5.040 4.687 4.625 4.780 . 0 0 "[ . 1 . 2]" 1
672 1 32 VAL MG1 1 56 MET HB3 . . 3.410 2.556 2.461 2.651 . 0 0 "[ . 1 . 2]" 1
673 1 32 VAL MG1 1 56 MET ME . . 4.950 3.910 3.756 4.018 . 0 0 "[ . 1 . 2]" 1
674 1 32 VAL MG1 1 56 MET HG2 . . 4.030 2.876 2.627 3.107 . 0 0 "[ . 1 . 2]" 1
675 1 32 VAL MG1 1 57 ASP H . . 5.500 5.091 5.015 5.225 . 0 0 "[ . 1 . 2]" 1
676 1 32 VAL MG1 1 58 GLY H . . 5.500 4.728 4.637 4.908 . 0 0 "[ . 1 . 2]" 1
677 1 32 VAL MG1 1 58 GLY HA2 . . 4.710 3.695 3.608 3.877 . 0 0 "[ . 1 . 2]" 1
678 1 32 VAL MG1 1 61 LEU H . . 5.500 4.511 4.431 4.816 . 0 0 "[ . 1 . 2]" 1
679 1 32 VAL MG1 1 61 LEU HA . . 4.780 4.050 3.889 4.428 . 0 0 "[ . 1 . 2]" 1
680 1 32 VAL MG1 1 61 LEU HB2 . . 3.700 2.111 1.973 2.579 . 0 0 "[ . 1 . 2]" 1
681 1 32 VAL MG1 1 61 LEU HB3 . . 3.920 3.234 3.038 3.492 . 0 0 "[ . 1 . 2]" 1
682 1 32 VAL MG1 1 61 LEU QD . . 3.560 1.894 1.722 3.013 . 0 0 "[ . 1 . 2]" 1
683 1 32 VAL MG1 1 61 LEU HG . . 4.040 3.732 2.292 4.004 . 0 0 "[ . 1 . 2]" 1
684 1 32 VAL MG1 1 69 PHE HZ . . 5.500 5.256 4.930 5.506 0.006 6 0 "[ . 1 . 2]" 1
685 1 32 VAL MG1 1 85 LEU QD . . 5.440 4.384 4.232 4.584 . 0 0 "[ . 1 . 2]" 1
686 1 32 VAL MG2 1 33 ARG H . . 4.060 3.971 3.944 4.021 . 0 0 "[ . 1 . 2]" 1
687 1 32 VAL MG2 1 33 ARG HA . . 5.500 5.429 5.416 5.435 . 0 0 "[ . 1 . 2]" 1
688 1 32 VAL MG2 1 33 ARG QG . . 5.340 4.603 4.417 4.788 . 0 0 "[ . 1 . 2]" 1
689 1 32 VAL MG2 1 35 TRP H . . 5.500 5.507 5.458 5.527 0.027 1 0 "[ . 1 . 2]" 1
690 1 32 VAL MG2 1 35 TRP HZ3 . . 5.500 5.515 5.501 5.531 0.031 5 0 "[ . 1 . 2]" 1
691 1 32 VAL MG2 1 36 LEU MD1 . . 5.500 5.246 5.102 5.348 . 0 0 "[ . 1 . 2]" 1
692 1 32 VAL MG2 1 56 MET ME . . 5.500 5.290 5.189 5.384 . 0 0 "[ . 1 . 2]" 1
693 1 32 VAL MG2 1 56 MET HG2 . . 4.490 3.880 3.724 4.032 . 0 0 "[ . 1 . 2]" 1
694 1 32 VAL MG2 1 57 ASP H . . 4.870 4.393 4.346 4.448 . 0 0 "[ . 1 . 2]" 1
695 1 32 VAL MG2 1 57 ASP HA . . 3.190 2.702 2.553 2.839 . 0 0 "[ . 1 . 2]" 1
696 1 32 VAL MG2 1 57 ASP HB2 . . 5.200 4.349 4.281 4.465 . 0 0 "[ . 1 . 2]" 1
697 1 32 VAL MG2 1 58 GLY H . . 3.530 2.354 2.287 2.498 . 0 0 "[ . 1 . 2]" 1
698 1 32 VAL MG2 1 58 GLY HA2 . . 3.660 1.985 1.921 2.119 . 0 0 "[ . 1 . 2]" 1
699 1 32 VAL MG2 1 58 GLY HA3 . . 3.660 2.939 2.884 3.064 . 0 0 "[ . 1 . 2]" 1
700 1 32 VAL MG2 1 59 LYS H . . 5.240 4.271 4.227 4.385 . 0 0 "[ . 1 . 2]" 1
701 1 32 VAL MG2 1 61 LEU H . . 4.280 3.856 3.759 4.112 . 0 0 "[ . 1 . 2]" 1
702 1 32 VAL MG2 1 61 LEU HB2 . . 3.660 2.508 2.276 2.810 . 0 0 "[ . 1 . 2]" 1
703 1 32 VAL MG2 1 61 LEU HB3 . . 3.640 2.631 2.431 2.785 . 0 0 "[ . 1 . 2]" 1
704 1 32 VAL MG2 1 61 LEU QD . . 3.290 2.068 1.863 3.291 0.001 17 0 "[ . 1 . 2]" 1
705 1 32 VAL MG2 1 62 CYS H . . 5.500 4.933 4.736 5.071 . 0 0 "[ . 1 . 2]" 1
706 1 32 VAL MG2 1 85 LEU QD . . 5.440 4.470 4.338 4.654 . 0 0 "[ . 1 . 2]" 1
707 1 33 ARG H 1 33 ARG HB2 . . 2.820 2.486 2.326 2.670 . 0 0 "[ . 1 . 2]" 1
708 1 33 ARG H 1 33 ARG HD2 . . 5.500 4.774 4.088 5.015 . 0 0 "[ . 1 . 2]" 1
709 1 33 ARG H 1 33 ARG QD . . 4.850 4.146 3.595 4.364 . 0 0 "[ . 1 . 2]" 1
710 1 33 ARG H 1 33 ARG HD3 . . 5.500 4.579 3.987 4.940 . 0 0 "[ . 1 . 2]" 1
711 1 33 ARG H 1 33 ARG HG2 . . 3.930 3.326 3.139 3.734 . 0 0 "[ . 1 . 2]" 1
712 1 33 ARG H 1 33 ARG QG . . 3.230 2.331 1.991 2.625 . 0 0 "[ . 1 . 2]" 1
713 1 33 ARG H 1 33 ARG HG3 . . 3.930 2.387 2.014 2.698 . 0 0 "[ . 1 . 2]" 1
714 1 33 ARG H 1 34 GLN H . . 3.270 2.564 2.436 2.727 . 0 0 "[ . 1 . 2]" 1
715 1 33 ARG H 1 34 GLN HB2 . . 4.700 4.389 4.286 4.522 . 0 0 "[ . 1 . 2]" 1
716 1 33 ARG H 1 35 TRP H . . 4.800 4.104 3.974 4.240 . 0 0 "[ . 1 . 2]" 1
717 1 33 ARG HA 1 33 ARG HB3 . . 2.890 2.465 2.373 2.556 . 0 0 "[ . 1 . 2]" 1
718 1 33 ARG HA 1 33 ARG QD . . 4.110 4.038 3.716 4.127 0.017 11 0 "[ . 1 . 2]" 1
719 1 33 ARG HA 1 33 ARG HG2 . . 3.600 2.494 2.335 2.702 . 0 0 "[ . 1 . 2]" 1
720 1 33 ARG HA 1 33 ARG QG . . 3.050 2.412 2.280 2.586 . 0 0 "[ . 1 . 2]" 1
721 1 33 ARG HA 1 33 ARG HG3 . . 3.600 3.256 2.859 3.434 . 0 0 "[ . 1 . 2]" 1
722 1 33 ARG HA 1 35 TRP H . . 5.040 4.661 4.463 4.890 . 0 0 "[ . 1 . 2]" 1
723 1 33 ARG HA 1 36 LEU H . . 3.940 3.572 3.471 3.695 . 0 0 "[ . 1 . 2]" 1
724 1 33 ARG HA 1 36 LEU HA . . 5.500 5.476 5.344 5.511 0.011 19 0 "[ . 1 . 2]" 1
725 1 33 ARG HA 1 36 LEU HB2 . . 3.740 2.881 2.764 2.952 . 0 0 "[ . 1 . 2]" 1
726 1 33 ARG HA 1 36 LEU HB3 . . 3.690 3.536 3.336 3.690 0.000 15 0 "[ . 1 . 2]" 1
727 1 33 ARG HA 1 36 LEU MD1 . . 4.470 4.311 4.204 4.421 . 0 0 "[ . 1 . 2]" 1
728 1 33 ARG HA 1 36 LEU MD2 . . 4.280 3.478 3.295 3.632 . 0 0 "[ . 1 . 2]" 1
729 1 33 ARG HA 1 37 GLU H . . 4.500 4.295 4.165 4.393 . 0 0 "[ . 1 . 2]" 1
730 1 33 ARG HA 1 50 THR MG . . 5.500 5.372 5.179 5.501 0.001 19 0 "[ . 1 . 2]" 1
731 1 33 ARG HA 1 53 PHE QD . . 5.500 5.382 5.265 5.475 . 0 0 "[ . 1 . 2]" 1
732 1 33 ARG HB2 1 33 ARG HE . . 5.310 3.126 1.949 4.602 . 0 0 "[ . 1 . 2]" 1
733 1 33 ARG HB2 1 34 GLN H . . 3.110 2.426 2.249 2.621 . 0 0 "[ . 1 . 2]" 1
734 1 33 ARG HB3 1 33 ARG QD . . 2.960 2.473 2.147 2.644 . 0 0 "[ . 1 . 2]" 1
735 1 33 ARG HB3 1 33 ARG HE . . 5.500 3.073 2.123 4.225 . 0 0 "[ . 1 . 2]" 1
736 1 33 ARG QD 1 34 GLN H . . 5.340 4.897 4.195 5.259 . 0 0 "[ . 1 . 2]" 1
737 1 33 ARG QD 1 54 GLN HA . . 3.960 2.216 1.970 3.286 . 0 0 "[ . 1 . 2]" 1
738 1 33 ARG QD 1 54 GLN QB . . 4.320 3.365 3.235 4.233 . 0 0 "[ . 1 . 2]" 1
739 1 33 ARG QG 1 34 GLN H . . 4.200 3.926 3.650 4.068 . 0 0 "[ . 1 . 2]" 1
740 1 33 ARG QG 1 54 GLN HA . . 3.840 2.683 2.256 2.903 . 0 0 "[ . 1 . 2]" 1
741 1 33 ARG HG2 1 34 GLN H . . 4.810 4.804 4.703 4.890 0.080 11 0 "[ . 1 . 2]" 1
742 1 33 ARG HG2 1 54 GLN HA . . 4.380 2.739 2.283 2.973 . 0 0 "[ . 1 . 2]" 1
743 1 33 ARG HG3 1 34 GLN H . . 4.810 4.172 3.803 4.383 . 0 0 "[ . 1 . 2]" 1
744 1 33 ARG HG3 1 54 GLN HA . . 4.380 3.896 3.425 4.302 . 0 0 "[ . 1 . 2]" 1
745 1 34 GLN H 1 34 GLN HB2 . . 3.060 2.221 2.140 2.393 . 0 0 "[ . 1 . 2]" 1
746 1 34 GLN H 1 34 GLN HB3 . . 3.670 3.508 3.451 3.576 . 0 0 "[ . 1 . 2]" 1
747 1 34 GLN H 1 34 GLN QG . . 3.140 2.755 2.442 2.982 . 0 0 "[ . 1 . 2]" 1
748 1 34 GLN H 1 35 TRP H . . 3.380 2.811 2.730 2.879 . 0 0 "[ . 1 . 2]" 1
749 1 34 GLN H 1 35 TRP HB3 . . 4.890 4.818 4.700 4.918 0.028 11 0 "[ . 1 . 2]" 1
750 1 34 GLN H 1 36 LEU H . . 4.700 4.113 3.911 4.265 . 0 0 "[ . 1 . 2]" 1
751 1 34 GLN HA 1 34 GLN HB3 . . 3.000 2.665 2.538 2.715 . 0 0 "[ . 1 . 2]" 1
752 1 34 GLN HA 1 34 GLN HG2 . . 3.480 2.449 2.174 3.185 . 0 0 "[ . 1 . 2]" 1
753 1 34 GLN HA 1 34 GLN QG . . 3.010 2.294 2.135 2.988 . 0 0 "[ . 1 . 2]" 1
754 1 34 GLN HA 1 34 GLN HG3 . . 3.480 2.805 2.613 3.617 0.137 1 0 "[ . 1 . 2]" 1
755 1 34 GLN HA 1 37 GLU H . . 3.760 3.741 3.671 3.763 0.003 7 0 "[ . 1 . 2]" 1
756 1 34 GLN HA 1 37 GLU QG . . 4.350 3.229 3.021 3.534 . 0 0 "[ . 1 . 2]" 1
757 1 34 GLN HA 1 38 TRP H . . 4.560 4.346 4.247 4.437 . 0 0 "[ . 1 . 2]" 1
758 1 34 GLN HB2 1 35 TRP H . . 3.570 2.662 2.404 2.766 . 0 0 "[ . 1 . 2]" 1
759 1 34 GLN HB2 1 35 TRP HB3 . . 5.200 4.965 4.652 5.076 . 0 0 "[ . 1 . 2]" 1
760 1 34 GLN HB3 1 35 TRP H . . 3.810 3.116 2.924 3.290 . 0 0 "[ . 1 . 2]" 1
761 1 34 GLN HB3 1 35 TRP HA . . 5.040 3.990 3.887 4.191 . 0 0 "[ . 1 . 2]" 1
762 1 34 GLN HB3 1 35 TRP HB3 . . 5.500 5.363 5.190 5.528 0.028 1 0 "[ . 1 . 2]" 1
763 1 34 GLN QG 1 35 TRP H . . 4.870 4.281 4.071 4.331 . 0 0 "[ . 1 . 2]" 1
764 1 35 TRP H 1 35 TRP HB2 . . 3.240 2.662 2.638 2.695 . 0 0 "[ . 1 . 2]" 1
765 1 35 TRP H 1 35 TRP HB3 . . 3.130 2.403 2.372 2.428 . 0 0 "[ . 1 . 2]" 1
766 1 35 TRP H 1 35 TRP HD1 . . 5.310 5.051 5.021 5.095 . 0 0 "[ . 1 . 2]" 1
767 1 35 TRP H 1 35 TRP HE3 . . 5.400 4.517 4.431 4.570 . 0 0 "[ . 1 . 2]" 1
768 1 35 TRP H 1 36 LEU H . . 3.430 2.742 2.710 2.769 . 0 0 "[ . 1 . 2]" 1
769 1 35 TRP H 1 36 LEU HB2 . . 4.860 4.643 4.596 4.689 . 0 0 "[ . 1 . 2]" 1
770 1 35 TRP H 1 37 GLU H . . 4.860 4.736 4.660 4.847 . 0 0 "[ . 1 . 2]" 1
771 1 35 TRP H 1 38 TRP HB2 . . 5.500 5.407 5.282 5.491 . 0 0 "[ . 1 . 2]" 1
772 1 35 TRP HA 1 35 TRP HD1 . . 3.810 2.972 2.898 3.061 . 0 0 "[ . 1 . 2]" 1
773 1 35 TRP HA 1 35 TRP HE3 . . 4.910 4.868 4.818 4.914 0.004 12 0 "[ . 1 . 2]" 1
774 1 35 TRP HA 1 36 LEU HA . . 5.200 4.805 4.788 4.813 . 0 0 "[ . 1 . 2]" 1
775 1 35 TRP HA 1 38 TRP H . . 3.820 3.589 3.539 3.616 . 0 0 "[ . 1 . 2]" 1
776 1 35 TRP HA 1 38 TRP HB2 . . 3.760 3.409 3.288 3.502 . 0 0 "[ . 1 . 2]" 1
777 1 35 TRP HA 1 38 TRP HB3 . . 3.440 2.471 2.400 2.551 . 0 0 "[ . 1 . 2]" 1
778 1 35 TRP HA 1 38 TRP HE3 . . 4.160 3.026 2.939 3.194 . 0 0 "[ . 1 . 2]" 1
779 1 35 TRP HA 1 39 ALA H . . 4.420 3.987 3.903 4.044 . 0 0 "[ . 1 . 2]" 1
780 1 35 TRP HB2 1 35 TRP HD1 . . 3.880 2.789 2.755 2.821 . 0 0 "[ . 1 . 2]" 1
781 1 35 TRP HB2 1 36 LEU H . . 4.280 4.044 3.996 4.106 . 0 0 "[ . 1 . 2]" 1
782 1 35 TRP HB2 1 38 TRP HB3 . . 5.040 4.762 4.661 4.851 . 0 0 "[ . 1 . 2]" 1
783 1 35 TRP HB3 1 35 TRP HE3 . . 3.720 2.452 2.433 2.475 . 0 0 "[ . 1 . 2]" 1
784 1 35 TRP HB3 1 36 LEU H . . 3.560 2.763 2.683 2.880 . 0 0 "[ . 1 . 2]" 1
785 1 35 TRP HB3 1 61 LEU QD . . 5.440 3.976 3.748 5.227 . 0 0 "[ . 1 . 2]" 1
786 1 35 TRP HD1 1 38 TRP HZ3 . . 5.040 2.741 2.605 3.022 . 0 0 "[ . 1 . 2]" 1
787 1 35 TRP HD1 1 39 ALA H . . 5.010 4.816 4.665 4.992 . 0 0 "[ . 1 . 2]" 1
788 1 35 TRP HD1 1 39 ALA MB . . 5.300 4.487 4.368 4.613 . 0 0 "[ . 1 . 2]" 1
789 1 35 TRP HD1 1 84 HIS HD1 . . 4.740 4.562 4.461 4.630 . 0 0 "[ . 1 . 2]" 1
790 1 35 TRP HD1 1 84 HIS HE1 . . 3.920 3.721 3.673 3.845 . 0 0 "[ . 1 . 2]" 1
791 1 35 TRP HD1 1 88 LEU QD . . 4.170 3.901 3.716 4.176 0.006 5 0 "[ . 1 . 2]" 1
792 1 35 TRP HE1 1 84 HIS HE1 . . 4.050 2.447 2.348 2.580 . 0 0 "[ . 1 . 2]" 1
793 1 35 TRP HE3 1 36 LEU H . . 3.640 3.245 3.186 3.350 . 0 0 "[ . 1 . 2]" 1
794 1 35 TRP HE3 1 36 LEU HA . . 4.240 3.513 3.403 3.626 . 0 0 "[ . 1 . 2]" 1
795 1 35 TRP HE3 1 36 LEU HB2 . . 4.240 3.559 3.451 3.740 . 0 0 "[ . 1 . 2]" 1
796 1 35 TRP HE3 1 36 LEU HB3 . . 5.500 5.114 5.014 5.251 . 0 0 "[ . 1 . 2]" 1
797 1 35 TRP HE3 1 36 LEU MD1 . . 4.630 2.704 2.517 2.808 . 0 0 "[ . 1 . 2]" 1
798 1 35 TRP HE3 1 36 LEU MD2 . . 5.140 4.810 4.608 4.968 . 0 0 "[ . 1 . 2]" 1
799 1 35 TRP HE3 1 36 LEU HG . . 5.200 5.206 5.199 5.214 0.014 5 0 "[ . 1 . 2]" 1
800 1 35 TRP HE3 1 61 LEU MD1 . . 4.710 3.810 3.552 4.225 . 0 0 "[ . 1 . 2]" 1
801 1 35 TRP HE3 1 61 LEU QD . . 4.100 2.749 2.465 3.901 . 0 0 "[ . 1 . 2]" 1
802 1 35 TRP HE3 1 61 LEU MD2 . . 4.710 2.866 2.502 4.594 . 0 0 "[ . 1 . 2]" 1
803 1 35 TRP HE3 1 81 LEU QD . . 5.290 4.172 4.028 4.297 . 0 0 "[ . 1 . 2]" 1
804 1 35 TRP HE3 1 85 LEU QD . . 4.990 3.926 3.773 4.043 . 0 0 "[ . 1 . 2]" 1
805 1 35 TRP HH2 1 36 LEU MD1 . . 4.660 3.933 3.839 4.068 . 0 0 "[ . 1 . 2]" 1
806 1 35 TRP HH2 1 39 ALA MB . . 4.800 4.738 4.566 4.806 0.006 6 0 "[ . 1 . 2]" 1
807 1 35 TRP HH2 1 61 LEU QD . . 4.600 3.488 3.265 3.737 . 0 0 "[ . 1 . 2]" 1
808 1 35 TRP HH2 1 61 LEU HG . . 5.500 5.115 4.798 5.418 . 0 0 "[ . 1 . 2]" 1
809 1 35 TRP HH2 1 69 PHE QE . . 4.710 4.294 4.006 4.416 . 0 0 "[ . 1 . 2]" 1
810 1 35 TRP HH2 1 69 PHE HZ . . 4.240 4.198 3.752 4.248 0.008 16 0 "[ . 1 . 2]" 1
811 1 35 TRP HH2 1 81 LEU HA . . 4.240 3.085 2.983 3.216 . 0 0 "[ . 1 . 2]" 1
812 1 35 TRP HH2 1 81 LEU HB2 . . 4.230 3.973 3.798 4.062 . 0 0 "[ . 1 . 2]" 1
813 1 35 TRP HH2 1 81 LEU HB3 . . 3.490 2.231 2.064 2.312 . 0 0 "[ . 1 . 2]" 1
814 1 35 TRP HH2 1 81 LEU MD1 . . 4.640 3.663 3.426 4.018 . 0 0 "[ . 1 . 2]" 1
815 1 35 TRP HH2 1 81 LEU QD . . 3.540 2.456 2.234 2.688 . 0 0 "[ . 1 . 2]" 1
816 1 35 TRP HH2 1 81 LEU MD2 . . 4.640 2.497 2.263 2.764 . 0 0 "[ . 1 . 2]" 1
817 1 35 TRP HH2 1 84 HIS HB2 . . 5.500 5.504 5.406 5.523 0.023 5 0 "[ . 1 . 2]" 1
818 1 35 TRP HH2 1 84 HIS HB3 . . 5.200 4.125 4.080 4.188 . 0 0 "[ . 1 . 2]" 1
819 1 35 TRP HH2 1 85 LEU H . . 4.860 4.156 4.085 4.309 . 0 0 "[ . 1 . 2]" 1
820 1 35 TRP HH2 1 85 LEU HB2 . . 4.430 3.444 3.337 3.635 . 0 0 "[ . 1 . 2]" 1
821 1 35 TRP HH2 1 85 LEU HB3 . . 5.350 5.098 4.989 5.273 . 0 0 "[ . 1 . 2]" 1
822 1 35 TRP HH2 1 85 LEU MD1 . . 4.780 2.383 2.270 2.478 . 0 0 "[ . 1 . 2]" 1
823 1 35 TRP HH2 1 85 LEU QD . . 3.830 2.376 2.265 2.467 . 0 0 "[ . 1 . 2]" 1
824 1 35 TRP HH2 1 85 LEU MD2 . . 4.780 4.587 4.479 4.673 . 0 0 "[ . 1 . 2]" 1
825 1 35 TRP HH2 1 85 LEU HG . . 5.500 5.105 5.008 5.287 . 0 0 "[ . 1 . 2]" 1
826 1 35 TRP HZ2 1 39 ALA MB . . 4.630 3.914 3.822 4.010 . 0 0 "[ . 1 . 2]" 1
827 1 35 TRP HZ2 1 81 LEU HA . . 4.160 3.091 2.965 3.227 . 0 0 "[ . 1 . 2]" 1
828 1 35 TRP HZ2 1 81 LEU HB2 . . 5.500 5.487 5.338 5.515 0.015 11 0 "[ . 1 . 2]" 1
829 1 35 TRP HZ2 1 81 LEU HB3 . . 4.200 4.034 3.899 4.084 . 0 0 "[ . 1 . 2]" 1
830 1 35 TRP HZ2 1 81 LEU QD . . 3.900 3.069 2.773 3.292 . 0 0 "[ . 1 . 2]" 1
831 1 35 TRP HZ2 1 84 HIS HB2 . . 3.900 3.792 3.716 3.884 . 0 0 "[ . 1 . 2]" 1
832 1 35 TRP HZ2 1 84 HIS HB3 . . 4.330 2.365 2.274 2.421 . 0 0 "[ . 1 . 2]" 1
833 1 35 TRP HZ2 1 84 HIS HD1 . . 4.330 2.482 2.208 2.749 . 0 0 "[ . 1 . 2]" 1
834 1 35 TRP HZ2 1 85 LEU H . . 4.230 3.406 3.300 3.533 . 0 0 "[ . 1 . 2]" 1
835 1 35 TRP HZ2 1 85 LEU HA . . 4.800 4.361 4.215 4.507 . 0 0 "[ . 1 . 2]" 1
836 1 35 TRP HZ2 1 85 LEU HB2 . . 4.200 3.748 3.610 3.847 . 0 0 "[ . 1 . 2]" 1
837 1 35 TRP HZ2 1 85 LEU HB3 . . 5.500 5.430 5.293 5.521 0.021 19 0 "[ . 1 . 2]" 1
838 1 35 TRP HZ2 1 85 LEU MD1 . . 5.500 2.805 2.608 2.951 . 0 0 "[ . 1 . 2]" 1
839 1 35 TRP HZ2 1 85 LEU QD . . 4.220 2.795 2.602 2.938 . 0 0 "[ . 1 . 2]" 1
840 1 35 TRP HZ2 1 85 LEU MD2 . . 5.500 5.358 5.245 5.445 . 0 0 "[ . 1 . 2]" 1
841 1 35 TRP HZ2 1 85 LEU HG . . 4.980 4.952 4.798 4.995 0.015 9 0 "[ . 1 . 2]" 1
842 1 35 TRP HZ2 1 88 LEU MD1 . . 5.500 4.507 3.351 4.766 . 0 0 "[ . 1 . 2]" 1
843 1 35 TRP HZ2 1 88 LEU QD . . 4.500 4.038 3.323 4.240 . 0 0 "[ . 1 . 2]" 1
844 1 35 TRP HZ2 1 88 LEU MD2 . . 5.500 4.630 4.260 5.505 0.005 20 0 "[ . 1 . 2]" 1
845 1 35 TRP HZ3 1 36 LEU H . . 5.400 5.300 5.234 5.406 0.006 19 0 "[ . 1 . 2]" 1
846 1 35 TRP HZ3 1 36 LEU HA . . 5.040 4.330 4.164 4.473 . 0 0 "[ . 1 . 2]" 1
847 1 35 TRP HZ3 1 36 LEU HB2 . . 5.220 4.815 4.667 5.072 . 0 0 "[ . 1 . 2]" 1
848 1 35 TRP HZ3 1 36 LEU MD1 . . 4.000 2.536 2.446 2.626 . 0 0 "[ . 1 . 2]" 1
849 1 35 TRP HZ3 1 36 LEU MD2 . . 5.430 4.878 4.686 5.076 . 0 0 "[ . 1 . 2]" 1
850 1 35 TRP HZ3 1 61 LEU MD1 . . 4.060 2.537 2.300 3.544 . 0 0 "[ . 1 . 2]" 1
851 1 35 TRP HZ3 1 61 LEU QD . . 3.240 2.340 2.200 2.885 . 0 0 "[ . 1 . 2]" 1
852 1 35 TRP HZ3 1 61 LEU MD2 . . 4.060 2.816 2.573 3.070 . 0 0 "[ . 1 . 2]" 1
853 1 35 TRP HZ3 1 61 LEU HG . . 5.500 4.106 3.630 4.455 . 0 0 "[ . 1 . 2]" 1
854 1 35 TRP HZ3 1 69 PHE QE . . 4.600 3.650 3.521 3.807 . 0 0 "[ . 1 . 2]" 1
855 1 35 TRP HZ3 1 69 PHE HZ . . 4.870 3.887 3.565 4.154 . 0 0 "[ . 1 . 2]" 1
856 1 35 TRP HZ3 1 81 LEU MD1 . . 5.500 3.734 3.407 4.157 . 0 0 "[ . 1 . 2]" 1
857 1 35 TRP HZ3 1 81 LEU QD . . 4.250 2.984 2.732 3.146 . 0 0 "[ . 1 . 2]" 1
858 1 35 TRP HZ3 1 81 LEU MD2 . . 5.500 3.162 2.807 3.461 . 0 0 "[ . 1 . 2]" 1
859 1 35 TRP HZ3 1 85 LEU MD1 . . 5.300 3.080 2.963 3.219 . 0 0 "[ . 1 . 2]" 1
860 1 35 TRP HZ3 1 85 LEU QD . . 4.180 3.053 2.942 3.187 . 0 0 "[ . 1 . 2]" 1
861 1 35 TRP HZ3 1 85 LEU MD2 . . 5.300 5.019 4.926 5.176 . 0 0 "[ . 1 . 2]" 1
862 1 36 LEU H 1 36 LEU HB2 . . 3.080 2.120 2.070 2.145 . 0 0 "[ . 1 . 2]" 1
863 1 36 LEU H 1 36 LEU HB3 . . 3.280 2.992 2.945 3.098 . 0 0 "[ . 1 . 2]" 1
864 1 36 LEU H 1 36 LEU MD1 . . 4.330 3.464 3.290 3.541 . 0 0 "[ . 1 . 2]" 1
865 1 36 LEU H 1 36 LEU MD2 . . 4.570 4.236 4.142 4.278 . 0 0 "[ . 1 . 2]" 1
866 1 36 LEU H 1 36 LEU HG . . 4.720 4.512 4.481 4.533 . 0 0 "[ . 1 . 2]" 1
867 1 36 LEU H 1 37 GLU H . . 3.480 2.888 2.847 2.917 . 0 0 "[ . 1 . 2]" 1
868 1 36 LEU H 1 37 GLU HB2 . . 5.180 5.028 4.881 5.091 . 0 0 "[ . 1 . 2]" 1
869 1 36 LEU H 1 39 ALA MB . . 5.290 5.023 4.932 5.144 . 0 0 "[ . 1 . 2]" 1
870 1 36 LEU HA 1 36 LEU MD1 . . 3.200 2.162 1.988 2.305 . 0 0 "[ . 1 . 2]" 1
871 1 36 LEU HA 1 36 LEU MD2 . . 3.940 3.806 3.787 3.815 . 0 0 "[ . 1 . 2]" 1
872 1 36 LEU HA 1 36 LEU HG . . 4.240 2.647 2.572 2.706 . 0 0 "[ . 1 . 2]" 1
873 1 36 LEU HA 1 37 GLU HA . . 4.920 4.799 4.785 4.814 . 0 0 "[ . 1 . 2]" 1
874 1 36 LEU HA 1 38 TRP HB3 . . 5.040 4.877 4.840 4.913 . 0 0 "[ . 1 . 2]" 1
875 1 36 LEU HA 1 39 ALA H . . 4.040 3.741 3.672 3.813 . 0 0 "[ . 1 . 2]" 1
876 1 36 LEU HA 1 39 ALA MB . . 3.280 3.106 2.964 3.226 . 0 0 "[ . 1 . 2]" 1
877 1 36 LEU HA 1 40 ILE H . . 4.710 4.356 4.228 4.448 . 0 0 "[ . 1 . 2]" 1
878 1 36 LEU HA 1 40 ILE MD . . 3.640 3.497 3.414 3.577 . 0 0 "[ . 1 . 2]" 1
879 1 36 LEU HA 1 48 ILE MD . . 5.460 4.555 4.453 4.668 . 0 0 "[ . 1 . 2]" 1
880 1 36 LEU HA 1 50 THR MG . . 5.500 5.218 4.871 5.473 . 0 0 "[ . 1 . 2]" 1
881 1 36 LEU HA 1 81 LEU QD . . 4.250 3.362 3.141 3.492 . 0 0 "[ . 1 . 2]" 1
882 1 36 LEU HB2 1 36 LEU MD1 . . 3.190 2.228 2.155 2.327 . 0 0 "[ . 1 . 2]" 1
883 1 36 LEU HB2 1 36 LEU MD2 . . 3.510 2.492 2.426 2.533 . 0 0 "[ . 1 . 2]" 1
884 1 36 LEU HB2 1 37 GLU H . . 3.600 3.208 3.092 3.274 . 0 0 "[ . 1 . 2]" 1
885 1 36 LEU HB2 1 37 GLU HA . . 5.500 5.350 5.271 5.385 . 0 0 "[ . 1 . 2]" 1
886 1 36 LEU HB2 1 37 GLU HG2 . . 5.120 4.840 4.645 5.121 0.001 13 0 "[ . 1 . 2]" 1
887 1 36 LEU HB2 1 37 GLU HG3 . . 5.120 4.870 4.434 5.120 0.000 13 0 "[ . 1 . 2]" 1
888 1 36 LEU HB2 1 50 THR HA . . 5.500 5.150 4.895 5.362 . 0 0 "[ . 1 . 2]" 1
889 1 36 LEU HB3 1 36 LEU MD1 . . 3.490 3.183 3.166 3.195 . 0 0 "[ . 1 . 2]" 1
890 1 36 LEU HB3 1 36 LEU MD2 . . 3.400 2.197 2.144 2.255 . 0 0 "[ . 1 . 2]" 1
891 1 36 LEU HB3 1 37 GLU H . . 3.520 2.157 2.111 2.213 . 0 0 "[ . 1 . 2]" 1
892 1 36 LEU HB3 1 37 GLU QG . . 4.790 3.043 2.945 3.206 . 0 0 "[ . 1 . 2]" 1
893 1 36 LEU HB3 1 40 ILE MD . . 3.600 2.932 2.786 3.093 . 0 0 "[ . 1 . 2]" 1
894 1 36 LEU HB3 1 50 THR HA . . 5.070 4.441 4.201 4.622 . 0 0 "[ . 1 . 2]" 1
895 1 36 LEU MD1 1 37 GLU H . . 5.080 4.575 4.533 4.607 . 0 0 "[ . 1 . 2]" 1
896 1 36 LEU MD1 1 40 ILE H . . 5.500 5.493 5.382 5.508 0.008 2 0 "[ . 1 . 2]" 1
897 1 36 LEU MD1 1 40 ILE MD . . 3.810 3.813 3.808 3.817 0.007 16 0 "[ . 1 . 2]" 1
898 1 36 LEU MD1 1 40 ILE HG13 . . 4.630 4.504 4.459 4.544 . 0 0 "[ . 1 . 2]" 1
899 1 36 LEU MD1 1 48 ILE MD . . 3.590 3.140 3.051 3.241 . 0 0 "[ . 1 . 2]" 1
900 1 36 LEU MD1 1 48 ILE MG . . 5.080 4.928 4.850 5.010 . 0 0 "[ . 1 . 2]" 1
901 1 36 LEU MD1 1 50 THR HA . . 4.550 4.380 4.279 4.480 . 0 0 "[ . 1 . 2]" 1
902 1 36 LEU MD1 1 50 THR HB . . 5.500 5.416 5.213 5.502 0.002 13 0 "[ . 1 . 2]" 1
903 1 36 LEU MD1 1 50 THR MG . . 4.530 4.376 4.193 4.531 0.001 13 0 "[ . 1 . 2]" 1
904 1 36 LEU MD1 1 53 PHE H . . 5.470 5.339 5.127 5.471 0.001 15 0 "[ . 1 . 2]" 1
905 1 36 LEU MD1 1 53 PHE HB2 . . 4.000 3.612 3.392 3.778 . 0 0 "[ . 1 . 2]" 1
906 1 36 LEU MD1 1 53 PHE HB3 . . 4.060 3.834 3.602 4.061 0.001 16 0 "[ . 1 . 2]" 1
907 1 36 LEU MD1 1 53 PHE QD . . 3.740 3.331 3.127 3.508 . 0 0 "[ . 1 . 2]" 1
908 1 36 LEU MD1 1 53 PHE QE . . 4.280 3.425 3.254 3.606 . 0 0 "[ . 1 . 2]" 1
909 1 36 LEU MD1 1 53 PHE HZ . . 4.910 3.982 3.756 4.209 . 0 0 "[ . 1 . 2]" 1
910 1 36 LEU MD1 1 61 LEU QD . . 3.920 3.052 2.926 3.571 . 0 0 "[ . 1 . 2]" 1
911 1 36 LEU MD1 1 69 PHE QD . . 5.320 4.585 4.373 4.828 . 0 0 "[ . 1 . 2]" 1
912 1 36 LEU MD1 1 69 PHE HZ . . 5.500 4.782 4.463 5.107 . 0 0 "[ . 1 . 2]" 1
913 1 36 LEU MD1 1 81 LEU QD . . 4.510 2.235 2.055 2.448 . 0 0 "[ . 1 . 2]" 1
914 1 36 LEU MD2 1 37 GLU H . . 5.040 4.009 3.929 4.119 . 0 0 "[ . 1 . 2]" 1
915 1 36 LEU MD2 1 40 ILE MD . . 3.690 3.140 2.842 3.375 . 0 0 "[ . 1 . 2]" 1
916 1 36 LEU MD2 1 48 ILE MD . . 3.880 3.220 2.993 3.430 . 0 0 "[ . 1 . 2]" 1
917 1 36 LEU MD2 1 48 ILE MG . . 3.870 3.776 3.574 3.874 0.004 2 0 "[ . 1 . 2]" 1
918 1 36 LEU MD2 1 50 THR HA . . 3.590 1.988 1.892 2.107 . 0 0 "[ . 1 . 2]" 1
919 1 36 LEU MD2 1 50 THR HB . . 4.160 2.678 2.485 2.818 . 0 0 "[ . 1 . 2]" 1
920 1 36 LEU MD2 1 50 THR MG . . 3.340 2.332 2.020 2.624 . 0 0 "[ . 1 . 2]" 1
921 1 36 LEU MD2 1 53 PHE H . . 4.800 3.588 3.522 3.664 . 0 0 "[ . 1 . 2]" 1
922 1 36 LEU MD2 1 53 PHE HB2 . . 3.810 2.053 1.956 2.271 . 0 0 "[ . 1 . 2]" 1
923 1 36 LEU MD2 1 53 PHE HB3 . . 4.030 3.198 2.965 3.458 . 0 0 "[ . 1 . 2]" 1
924 1 36 LEU MD2 1 53 PHE QD . . 3.600 2.090 1.998 2.184 . 0 0 "[ . 1 . 2]" 1
925 1 36 LEU MD2 1 53 PHE QE . . 4.120 2.992 2.778 3.192 . 0 0 "[ . 1 . 2]" 1
926 1 36 LEU MD2 1 53 PHE HZ . . 4.800 4.478 4.297 4.593 . 0 0 "[ . 1 . 2]" 1
927 1 36 LEU HG 1 37 GLU H . . 4.910 4.223 4.159 4.338 . 0 0 "[ . 1 . 2]" 1
928 1 36 LEU HG 1 39 ALA MB . . 4.770 4.667 4.478 4.774 0.004 10 0 "[ . 1 . 2]" 1
929 1 36 LEU HG 1 40 ILE MD . . 3.670 2.474 2.409 2.564 . 0 0 "[ . 1 . 2]" 1
930 1 36 LEU HG 1 50 THR MG . . 4.000 3.396 3.043 3.639 . 0 0 "[ . 1 . 2]" 1
931 1 36 LEU HG 1 81 LEU QD . . 5.070 3.468 3.191 3.714 . 0 0 "[ . 1 . 2]" 1
932 1 37 GLU H 1 37 GLU HB2 . . 3.000 2.644 2.491 2.698 . 0 0 "[ . 1 . 2]" 1
933 1 37 GLU H 1 37 GLU HB3 . . 3.620 3.586 3.579 3.591 . 0 0 "[ . 1 . 2]" 1
934 1 37 GLU H 1 37 GLU HG2 . . 3.790 2.533 2.313 2.799 . 0 0 "[ . 1 . 2]" 1
935 1 37 GLU H 1 37 GLU QG . . 3.250 2.181 2.084 2.401 . 0 0 "[ . 1 . 2]" 1
936 1 37 GLU H 1 37 GLU HG3 . . 3.790 2.417 2.150 2.638 . 0 0 "[ . 1 . 2]" 1
937 1 37 GLU H 1 38 TRP HB3 . . 5.000 4.833 4.803 4.866 . 0 0 "[ . 1 . 2]" 1
938 1 37 GLU H 1 40 ILE MD . . 4.560 3.339 3.272 3.434 . 0 0 "[ . 1 . 2]" 1
939 1 37 GLU H 1 50 THR MG . . 4.910 4.169 3.969 4.512 . 0 0 "[ . 1 . 2]" 1
940 1 37 GLU HA 1 37 GLU HB3 . . 3.000 2.429 2.400 2.501 . 0 0 "[ . 1 . 2]" 1
941 1 37 GLU HA 1 37 GLU HG2 . . 3.690 2.480 2.346 2.535 . 0 0 "[ . 1 . 2]" 1
942 1 37 GLU HA 1 37 GLU QG . . 3.120 2.437 2.314 2.491 . 0 0 "[ . 1 . 2]" 1
943 1 37 GLU HA 1 37 GLU HG3 . . 3.690 3.578 3.414 3.687 . 0 0 "[ . 1 . 2]" 1
944 1 37 GLU HA 1 39 ALA H . . 5.310 5.032 4.955 5.070 . 0 0 "[ . 1 . 2]" 1
945 1 37 GLU HA 1 40 ILE H . . 3.970 3.686 3.618 3.736 . 0 0 "[ . 1 . 2]" 1
946 1 37 GLU HA 1 40 ILE HA . . 5.500 5.450 5.368 5.500 0.000 15 0 "[ . 1 . 2]" 1
947 1 37 GLU HA 1 40 ILE HB . . 3.160 2.734 2.666 2.778 . 0 0 "[ . 1 . 2]" 1
948 1 37 GLU HA 1 40 ILE MD . . 3.160 1.916 1.895 1.933 . 0 0 "[ . 1 . 2]" 1
949 1 37 GLU HA 1 40 ILE HG12 . . 4.910 4.472 4.390 4.539 . 0 0 "[ . 1 . 2]" 1
950 1 37 GLU HA 1 40 ILE HG13 . . 4.710 3.701 3.605 3.790 . 0 0 "[ . 1 . 2]" 1
951 1 37 GLU HA 1 40 ILE MG . . 4.060 3.927 3.873 3.958 . 0 0 "[ . 1 . 2]" 1
952 1 37 GLU HA 1 41 LYS H . . 4.490 4.183 4.023 4.330 . 0 0 "[ . 1 . 2]" 1
953 1 37 GLU HA 1 50 THR MG . . 4.560 3.578 3.405 3.919 . 0 0 "[ . 1 . 2]" 1
954 1 37 GLU HB2 1 38 TRP H . . 3.370 2.927 2.879 2.994 . 0 0 "[ . 1 . 2]" 1
955 1 37 GLU HB2 1 38 TRP HA . . 4.970 4.249 4.199 4.399 . 0 0 "[ . 1 . 2]" 1
956 1 37 GLU HB2 1 38 TRP HB2 . . 4.800 4.538 4.465 4.638 . 0 0 "[ . 1 . 2]" 1
957 1 37 GLU HB2 1 38 TRP HB3 . . 5.220 4.999 4.946 5.066 . 0 0 "[ . 1 . 2]" 1
958 1 37 GLU HB2 1 40 ILE HB . . 5.400 5.344 5.268 5.401 0.001 14 0 "[ . 1 . 2]" 1
959 1 37 GLU HB2 1 40 ILE MD . . 4.600 4.439 4.387 4.479 . 0 0 "[ . 1 . 2]" 1
960 1 37 GLU HB3 1 38 TRP HA . . 5.450 4.632 4.481 4.713 . 0 0 "[ . 1 . 2]" 1
961 1 37 GLU HB3 1 40 ILE MG . . 5.300 5.194 5.085 5.279 . 0 0 "[ . 1 . 2]" 1
962 1 37 GLU QG 1 38 TRP H . . 4.620 4.020 3.953 4.194 . 0 0 "[ . 1 . 2]" 1
963 1 37 GLU QG 1 40 ILE MD . . 4.090 3.119 2.973 3.185 . 0 0 "[ . 1 . 2]" 1
964 1 37 GLU QG 1 50 THR MG . . 4.060 2.715 2.482 3.051 . 0 0 "[ . 1 . 2]" 1
965 1 37 GLU HG2 1 40 ILE MD . . 4.800 3.189 3.028 3.260 . 0 0 "[ . 1 . 2]" 1
966 1 37 GLU HG2 1 50 THR MG . . 4.710 2.752 2.511 3.109 . 0 0 "[ . 1 . 2]" 1
967 1 37 GLU HG3 1 40 ILE MD . . 4.800 4.426 4.260 4.568 . 0 0 "[ . 1 . 2]" 1
968 1 37 GLU HG3 1 50 THR MG . . 4.710 4.154 3.888 4.475 . 0 0 "[ . 1 . 2]" 1
969 1 38 TRP H 1 38 TRP HB2 . . 3.090 2.771 2.753 2.798 . 0 0 "[ . 1 . 2]" 1
970 1 38 TRP H 1 38 TRP HB3 . . 3.020 2.336 2.324 2.344 . 0 0 "[ . 1 . 2]" 1
971 1 38 TRP H 1 38 TRP HD1 . . 5.350 5.094 5.066 5.131 . 0 0 "[ . 1 . 2]" 1
972 1 38 TRP H 1 38 TRP HE3 . . 4.880 4.425 4.355 4.472 . 0 0 "[ . 1 . 2]" 1
973 1 38 TRP H 1 39 ALA H . . 3.280 2.789 2.721 2.825 . 0 0 "[ . 1 . 2]" 1
974 1 38 TRP H 1 39 ALA MB . . 4.550 4.271 4.228 4.350 . 0 0 "[ . 1 . 2]" 1
975 1 38 TRP H 1 40 ILE HB . . 5.360 4.849 4.830 4.861 . 0 0 "[ . 1 . 2]" 1
976 1 38 TRP H 1 40 ILE HG13 . . 5.500 5.028 4.990 5.065 . 0 0 "[ . 1 . 2]" 1
977 1 38 TRP HA 1 38 TRP HD1 . . 3.640 2.819 2.761 2.930 . 0 0 "[ . 1 . 2]" 1
978 1 38 TRP HA 1 38 TRP HE1 . . 5.170 5.075 5.049 5.126 . 0 0 "[ . 1 . 2]" 1
979 1 38 TRP HA 1 39 ALA HA . . 5.040 4.815 4.801 4.821 . 0 0 "[ . 1 . 2]" 1
980 1 38 TRP HA 1 40 ILE H . . 5.000 4.061 4.000 4.102 . 0 0 "[ . 1 . 2]" 1
981 1 38 TRP HA 1 40 ILE MD . . 5.500 5.493 5.465 5.511 0.011 9 0 "[ . 1 . 2]" 1
982 1 38 TRP HA 1 41 LYS H . . 4.200 3.520 3.466 3.685 . 0 0 "[ . 1 . 2]" 1
983 1 38 TRP HA 1 41 LYS HD2 . . 4.220 3.598 2.762 4.138 . 0 0 "[ . 1 . 2]" 1
984 1 38 TRP HA 1 41 LYS QD . . 3.640 2.655 2.524 3.280 . 0 0 "[ . 1 . 2]" 1
985 1 38 TRP HA 1 41 LYS HD3 . . 4.220 3.033 2.555 4.223 0.003 17 0 "[ . 1 . 2]" 1
986 1 38 TRP HA 1 41 LYS HE2 . . 5.500 4.537 2.700 5.298 . 0 0 "[ . 1 . 2]" 1
987 1 38 TRP HA 1 41 LYS QE . . 4.750 3.925 2.029 4.621 . 0 0 "[ . 1 . 2]" 1
988 1 38 TRP HA 1 41 LYS HE3 . . 5.500 4.400 2.097 5.281 . 0 0 "[ . 1 . 2]" 1
989 1 38 TRP HA 1 41 LYS QG . . 3.650 2.049 1.976 2.251 . 0 0 "[ . 1 . 2]" 1
990 1 38 TRP HA 1 42 GLU H . . 4.630 4.238 4.148 4.424 . 0 0 "[ . 1 . 2]" 1
991 1 38 TRP HB2 1 38 TRP HD1 . . 3.520 2.882 2.823 2.917 . 0 0 "[ . 1 . 2]" 1
992 1 38 TRP HB2 1 38 TRP HE1 . . 5.170 4.866 4.845 4.879 . 0 0 "[ . 1 . 2]" 1
993 1 38 TRP HB2 1 38 TRP HE3 . . 4.030 3.908 3.872 3.966 . 0 0 "[ . 1 . 2]" 1
994 1 38 TRP HB2 1 39 ALA H . . 3.900 3.739 3.719 3.776 . 0 0 "[ . 1 . 2]" 1
995 1 38 TRP HB2 1 39 ALA MB . . 5.330 5.258 5.228 5.294 . 0 0 "[ . 1 . 2]" 1
996 1 38 TRP HB3 1 38 TRP HE3 . . 3.950 2.411 2.403 2.432 . 0 0 "[ . 1 . 2]" 1
997 1 38 TRP HB3 1 39 ALA H . . 3.320 2.271 2.246 2.324 . 0 0 "[ . 1 . 2]" 1
998 1 38 TRP HB3 1 39 ALA HA . . 4.910 4.409 4.394 4.426 . 0 0 "[ . 1 . 2]" 1
999 1 38 TRP HB3 1 39 ALA MB . . 4.330 3.893 3.829 3.953 . 0 0 "[ . 1 . 2]" 1
1000 1 38 TRP HD1 1 41 LYS HD2 . . 5.500 4.323 2.563 5.339 . 0 0 "[ . 1 . 2]" 1
1001 1 38 TRP HD1 1 41 LYS HD3 . . 5.500 3.533 2.954 4.866 . 0 0 "[ . 1 . 2]" 1
1002 1 38 TRP HD1 1 42 GLU HB2 . . 5.040 3.766 3.483 3.963 . 0 0 "[ . 1 . 2]" 1
1003 1 38 TRP HE1 1 39 ALA HA . . 5.500 5.518 5.513 5.523 0.023 2 0 "[ . 1 . 2]" 1
1004 1 38 TRP HE1 1 42 GLU HB2 . . 4.570 3.425 3.340 3.613 . 0 0 "[ . 1 . 2]" 1
1005 1 38 TRP HE1 1 42 GLU HG3 . . 5.340 5.269 5.005 5.344 0.004 6 0 "[ . 1 . 2]" 1
1006 1 38 TRP HE3 1 39 ALA H . . 3.530 2.718 2.473 2.906 . 0 0 "[ . 1 . 2]" 1
1007 1 38 TRP HE3 1 39 ALA HA . . 4.010 3.821 3.568 4.004 . 0 0 "[ . 1 . 2]" 1
1008 1 38 TRP HE3 1 39 ALA MB . . 3.400 3.070 2.769 3.208 . 0 0 "[ . 1 . 2]" 1
1009 1 38 TRP HE3 1 42 GLU HB3 . . 5.500 5.507 5.504 5.509 0.009 13 0 "[ . 1 . 2]" 1
1010 1 38 TRP HH2 1 42 GLU HG2 . . 5.100 4.856 4.568 5.102 0.002 14 0 "[ . 1 . 2]" 1
1011 1 38 TRP HH2 1 43 TYR QE . . 4.870 4.665 4.449 4.848 . 0 0 "[ . 1 . 2]" 1
1012 1 38 TRP HH2 1 84 HIS HD2 . . 4.910 4.484 4.141 4.911 0.001 12 0 "[ . 1 . 2]" 1
1013 1 38 TRP HH2 1 84 HIS HE1 . . 4.560 3.121 2.851 3.345 . 0 0 "[ . 1 . 2]" 1
1014 1 38 TRP HZ2 1 42 GLU HB2 . . 5.300 4.620 4.462 4.867 . 0 0 "[ . 1 . 2]" 1
1015 1 38 TRP HZ2 1 42 GLU HB3 . . 5.400 5.117 5.036 5.253 . 0 0 "[ . 1 . 2]" 1
1016 1 38 TRP HZ2 1 42 GLU HG2 . . 4.560 3.856 3.337 4.393 . 0 0 "[ . 1 . 2]" 1
1017 1 38 TRP HZ3 1 39 ALA MB . . 4.710 3.598 3.252 3.785 . 0 0 "[ . 1 . 2]" 1
1018 1 38 TRP HZ3 1 84 HIS HE1 . . 4.200 2.330 2.052 2.543 . 0 0 "[ . 1 . 2]" 1
1019 1 39 ALA H 1 39 ALA MB . . 2.890 2.117 2.031 2.233 . 0 0 "[ . 1 . 2]" 1
1020 1 39 ALA H 1 40 ILE H . . 3.400 2.763 2.719 2.780 . 0 0 "[ . 1 . 2]" 1
1021 1 39 ALA H 1 40 ILE HB . . 5.100 5.046 5.004 5.063 . 0 0 "[ . 1 . 2]" 1
1022 1 39 ALA H 1 40 ILE HG13 . . 4.640 4.374 4.308 4.429 . 0 0 "[ . 1 . 2]" 1
1023 1 39 ALA H 1 41 LYS H . . 4.770 4.573 4.477 4.777 0.007 2 0 "[ . 1 . 2]" 1
1024 1 39 ALA H 1 81 LEU QD . . 5.120 4.634 4.358 4.808 . 0 0 "[ . 1 . 2]" 1
1025 1 39 ALA HA 1 40 ILE HA . . 5.050 4.762 4.747 4.777 . 0 0 "[ . 1 . 2]" 1
1026 1 39 ALA HA 1 40 ILE HG13 . . 5.400 5.190 5.168 5.230 . 0 0 "[ . 1 . 2]" 1
1027 1 39 ALA HA 1 42 GLU H . . 3.910 3.459 3.347 3.603 . 0 0 "[ . 1 . 2]" 1
1028 1 39 ALA HA 1 42 GLU HA . . 5.500 5.214 5.117 5.273 . 0 0 "[ . 1 . 2]" 1
1029 1 39 ALA HA 1 42 GLU HB2 . . 3.810 3.517 3.315 3.603 . 0 0 "[ . 1 . 2]" 1
1030 1 39 ALA HA 1 42 GLU HB3 . . 3.510 2.322 2.211 2.448 . 0 0 "[ . 1 . 2]" 1
1031 1 39 ALA HA 1 42 GLU HG2 . . 4.430 3.903 3.718 4.244 . 0 0 "[ . 1 . 2]" 1
1032 1 39 ALA HA 1 42 GLU HG3 . . 5.100 4.699 4.032 5.017 . 0 0 "[ . 1 . 2]" 1
1033 1 39 ALA HA 1 43 TYR H . . 4.190 3.361 3.221 3.547 . 0 0 "[ . 1 . 2]" 1
1034 1 39 ALA HA 1 43 TYR QD . . 3.540 3.309 2.856 3.542 0.002 14 0 "[ . 1 . 2]" 1
1035 1 39 ALA HA 1 43 TYR QE . . 4.000 3.225 2.762 3.556 . 0 0 "[ . 1 . 2]" 1
1036 1 39 ALA HA 1 81 LEU QD . . 5.070 4.798 4.453 5.005 . 0 0 "[ . 1 . 2]" 1
1037 1 39 ALA MB 1 40 ILE H . . 3.170 2.865 2.780 2.936 . 0 0 "[ . 1 . 2]" 1
1038 1 39 ALA MB 1 40 ILE HG13 . . 3.830 3.360 3.257 3.401 . 0 0 "[ . 1 . 2]" 1
1039 1 39 ALA MB 1 42 GLU H . . 4.650 4.522 4.444 4.596 . 0 0 "[ . 1 . 2]" 1
1040 1 39 ALA MB 1 42 GLU HB2 . . 5.040 4.983 4.819 5.042 0.002 13 0 "[ . 1 . 2]" 1
1041 1 39 ALA MB 1 42 GLU HB3 . . 4.800 3.929 3.840 3.984 . 0 0 "[ . 1 . 2]" 1
1042 1 39 ALA MB 1 43 TYR H . . 4.560 4.091 3.981 4.174 . 0 0 "[ . 1 . 2]" 1
1043 1 39 ALA MB 1 43 TYR HB2 . . 5.040 3.988 3.788 4.104 . 0 0 "[ . 1 . 2]" 1
1044 1 39 ALA MB 1 43 TYR HB3 . . 5.260 5.173 5.013 5.265 0.005 8 0 "[ . 1 . 2]" 1
1045 1 39 ALA MB 1 43 TYR QD . . 3.420 2.339 2.049 2.598 . 0 0 "[ . 1 . 2]" 1
1046 1 39 ALA MB 1 43 TYR QE . . 3.690 2.206 1.941 2.570 . 0 0 "[ . 1 . 2]" 1
1047 1 39 ALA MB 1 80 VAL QG . . 4.670 3.249 3.000 3.446 . 0 0 "[ . 1 . 2]" 1
1048 1 39 ALA MB 1 81 LEU HA . . 4.280 4.167 3.966 4.276 . 0 0 "[ . 1 . 2]" 1
1049 1 39 ALA MB 1 81 LEU QD . . 2.940 2.422 2.171 2.568 . 0 0 "[ . 1 . 2]" 1
1050 1 39 ALA MB 1 81 LEU HG . . 4.370 4.333 4.104 4.383 0.013 5 0 "[ . 1 . 2]" 1
1051 1 39 ALA MB 1 84 HIS HE1 . . 5.350 5.178 4.804 5.342 . 0 0 "[ . 1 . 2]" 1
1052 1 40 ILE H 1 40 ILE HB . . 2.950 2.501 2.490 2.508 . 0 0 "[ . 1 . 2]" 1
1053 1 40 ILE H 1 40 ILE MD . . 3.590 3.246 3.233 3.275 . 0 0 "[ . 1 . 2]" 1
1054 1 40 ILE H 1 40 ILE HG12 . . 3.830 3.703 3.682 3.740 . 0 0 "[ . 1 . 2]" 1
1055 1 40 ILE H 1 40 ILE HG13 . . 3.120 2.235 2.211 2.280 . 0 0 "[ . 1 . 2]" 1
1056 1 40 ILE H 1 40 ILE MG . . 3.810 3.764 3.761 3.766 . 0 0 "[ . 1 . 2]" 1
1057 1 40 ILE H 1 41 LYS H . . 3.360 2.654 2.613 2.731 . 0 0 "[ . 1 . 2]" 1
1058 1 40 ILE H 1 45 LEU MD1 . . 4.310 3.574 3.322 3.714 . 0 0 "[ . 1 . 2]" 1
1059 1 40 ILE H 1 48 ILE MD . . 5.500 5.148 5.066 5.244 . 0 0 "[ . 1 . 2]" 1
1060 1 40 ILE HA 1 40 ILE HG12 . . 3.640 2.779 2.769 2.787 . 0 0 "[ . 1 . 2]" 1
1061 1 40 ILE HA 1 40 ILE HG13 . . 3.560 2.713 2.694 2.732 . 0 0 "[ . 1 . 2]" 1
1062 1 40 ILE HA 1 40 ILE MG . . 3.080 2.351 2.331 2.359 . 0 0 "[ . 1 . 2]" 1
1063 1 40 ILE HA 1 41 LYS HA . . 5.240 4.706 4.679 4.717 . 0 0 "[ . 1 . 2]" 1
1064 1 40 ILE HA 1 43 TYR H . . 4.910 3.821 3.715 3.942 . 0 0 "[ . 1 . 2]" 1
1065 1 40 ILE HA 1 43 TYR HB2 . . 5.040 3.904 3.785 4.259 . 0 0 "[ . 1 . 2]" 1
1066 1 40 ILE HA 1 44 SER H . . 4.710 4.232 4.129 4.419 . 0 0 "[ . 1 . 2]" 1
1067 1 40 ILE HA 1 44 SER HA . . 5.500 4.654 4.456 4.875 . 0 0 "[ . 1 . 2]" 1
1068 1 40 ILE HA 1 45 LEU H . . 3.310 2.422 2.317 2.638 . 0 0 "[ . 1 . 2]" 1
1069 1 40 ILE HA 1 45 LEU HA . . 4.560 4.374 4.318 4.441 . 0 0 "[ . 1 . 2]" 1
1070 1 40 ILE HA 1 45 LEU HB2 . . 2.810 2.041 1.995 2.170 . 0 0 "[ . 1 . 2]" 1
1071 1 40 ILE HA 1 45 LEU HB3 . . 3.720 3.613 3.556 3.720 . 0 0 "[ . 1 . 2]" 1
1072 1 40 ILE HA 1 45 LEU MD1 . . 3.230 2.367 2.066 2.537 . 0 0 "[ . 1 . 2]" 1
1073 1 40 ILE HA 1 45 LEU HG . . 3.520 2.105 2.023 2.218 . 0 0 "[ . 1 . 2]" 1
1074 1 40 ILE HA 1 48 ILE MD . . 5.500 4.647 4.487 4.799 . 0 0 "[ . 1 . 2]" 1
1075 1 40 ILE HA 1 48 ILE MG . . 4.770 4.481 4.348 4.695 . 0 0 "[ . 1 . 2]" 1
1076 1 40 ILE HB 1 40 ILE MD . . 2.760 2.142 2.128 2.157 . 0 0 "[ . 1 . 2]" 1
1077 1 40 ILE HB 1 41 LYS H . . 2.820 2.407 2.205 2.515 . 0 0 "[ . 1 . 2]" 1
1078 1 40 ILE HB 1 41 LYS HA . . 4.710 4.311 4.282 4.354 . 0 0 "[ . 1 . 2]" 1
1079 1 40 ILE HB 1 41 LYS QG . . 4.520 4.025 3.760 4.157 . 0 0 "[ . 1 . 2]" 1
1080 1 40 ILE HB 1 45 LEU H . . 4.910 4.656 4.470 4.772 . 0 0 "[ . 1 . 2]" 1
1081 1 40 ILE HB 1 45 LEU MD1 . . 4.710 4.422 4.217 4.535 . 0 0 "[ . 1 . 2]" 1
1082 1 40 ILE HB 1 50 THR MG . . 5.500 4.787 4.598 5.036 . 0 0 "[ . 1 . 2]" 1
1083 1 40 ILE MD 1 41 LYS H . . 4.280 4.154 4.004 4.238 . 0 0 "[ . 1 . 2]" 1
1084 1 40 ILE MD 1 45 LEU H . . 5.500 5.410 5.243 5.504 0.004 13 0 "[ . 1 . 2]" 1
1085 1 40 ILE MD 1 45 LEU MD1 . . 3.890 3.859 3.720 3.899 0.009 2 0 "[ . 1 . 2]" 1
1086 1 40 ILE MD 1 48 ILE HG12 . . 4.200 3.183 3.080 3.384 . 0 0 "[ . 1 . 2]" 1
1087 1 40 ILE MD 1 48 ILE HG13 . . 5.180 4.551 4.464 4.710 . 0 0 "[ . 1 . 2]" 1
1088 1 40 ILE MD 1 50 THR H . . 5.040 4.637 4.440 4.920 . 0 0 "[ . 1 . 2]" 1
1089 1 40 ILE MD 1 50 THR HA . . 4.710 4.297 4.136 4.462 . 0 0 "[ . 1 . 2]" 1
1090 1 40 ILE MD 1 50 THR HB . . 4.630 4.286 4.077 4.484 . 0 0 "[ . 1 . 2]" 1
1091 1 40 ILE MD 1 50 THR MG . . 2.880 2.259 2.095 2.403 . 0 0 "[ . 1 . 2]" 1
1092 1 40 ILE HG12 1 41 LYS H . . 5.200 4.998 4.885 5.060 . 0 0 "[ . 1 . 2]" 1
1093 1 40 ILE HG12 1 45 LEU HB2 . . 3.430 2.401 2.292 2.494 . 0 0 "[ . 1 . 2]" 1
1094 1 40 ILE HG12 1 45 LEU HB3 . . 4.440 3.593 3.505 3.651 . 0 0 "[ . 1 . 2]" 1
1095 1 40 ILE HG12 1 45 LEU MD1 . . 4.060 2.787 2.667 2.863 . 0 0 "[ . 1 . 2]" 1
1096 1 40 ILE HG13 1 41 LYS H . . 4.800 4.247 4.209 4.286 . 0 0 "[ . 1 . 2]" 1
1097 1 40 ILE HG13 1 45 LEU HB3 . . 5.350 4.717 4.611 4.787 . 0 0 "[ . 1 . 2]" 1
1098 1 40 ILE HG13 1 45 LEU MD1 . . 3.240 2.637 2.415 2.734 . 0 0 "[ . 1 . 2]" 1
1099 1 40 ILE HG13 1 50 THR MG . . 5.500 4.579 4.356 4.779 . 0 0 "[ . 1 . 2]" 1
1100 1 40 ILE MG 1 41 LYS H . . 3.630 3.310 3.116 3.385 . 0 0 "[ . 1 . 2]" 1
1101 1 40 ILE MG 1 41 LYS HA . . 3.540 3.524 3.442 3.554 0.014 19 0 "[ . 1 . 2]" 1
1102 1 40 ILE MG 1 41 LYS QG . . 5.160 4.643 4.394 4.756 . 0 0 "[ . 1 . 2]" 1
1103 1 40 ILE MG 1 44 SER H . . 5.040 4.517 4.434 4.723 . 0 0 "[ . 1 . 2]" 1
1104 1 40 ILE MG 1 45 LEU H . . 3.660 2.441 2.062 2.681 . 0 0 "[ . 1 . 2]" 1
1105 1 40 ILE MG 1 45 LEU HA . . 4.800 4.029 3.866 4.112 . 0 0 "[ . 1 . 2]" 1
1106 1 40 ILE MG 1 45 LEU HB2 . . 2.920 2.308 2.179 2.372 . 0 0 "[ . 1 . 2]" 1
1107 1 40 ILE MG 1 45 LEU HB3 . . 3.660 3.620 3.518 3.665 0.005 1 0 "[ . 1 . 2]" 1
1108 1 40 ILE MG 1 45 LEU MD1 . . 3.950 3.639 3.521 3.752 . 0 0 "[ . 1 . 2]" 1
1109 1 41 LYS H 1 41 LYS HB3 . . 3.060 2.606 2.555 2.690 . 0 0 "[ . 1 . 2]" 1
1110 1 41 LYS H 1 41 LYS HD2 . . 5.500 4.313 4.051 4.811 . 0 0 "[ . 1 . 2]" 1
1111 1 41 LYS H 1 41 LYS QD . . 4.720 3.855 3.645 4.164 . 0 0 "[ . 1 . 2]" 1
1112 1 41 LYS H 1 41 LYS HD3 . . 5.500 4.357 3.954 4.652 . 0 0 "[ . 1 . 2]" 1
1113 1 41 LYS H 1 41 LYS HG2 . . 4.280 2.373 2.062 3.174 . 0 0 "[ . 1 . 2]" 1
1114 1 41 LYS H 1 41 LYS QG . . 3.620 2.092 1.929 2.268 . 0 0 "[ . 1 . 2]" 1
1115 1 41 LYS H 1 41 LYS HG3 . . 4.280 2.889 1.946 3.349 . 0 0 "[ . 1 . 2]" 1
1116 1 41 LYS H 1 42 GLU H . . 3.200 2.492 2.425 2.579 . 0 0 "[ . 1 . 2]" 1
1117 1 41 LYS H 1 42 GLU HA . . 5.500 5.094 5.036 5.156 . 0 0 "[ . 1 . 2]" 1
1118 1 41 LYS H 1 42 GLU HB2 . . 4.840 4.800 4.630 4.845 0.005 15 0 "[ . 1 . 2]" 1
1119 1 41 LYS H 1 42 GLU HB3 . . 5.000 4.708 4.579 4.892 . 0 0 "[ . 1 . 2]" 1
1120 1 41 LYS H 1 43 TYR H . . 4.700 4.457 4.249 4.614 . 0 0 "[ . 1 . 2]" 1
1121 1 41 LYS H 1 44 SER H . . 5.000 4.788 4.686 4.990 . 0 0 "[ . 1 . 2]" 1
1122 1 41 LYS H 1 45 LEU H . . 5.050 4.718 4.653 4.777 . 0 0 "[ . 1 . 2]" 1
1123 1 41 LYS HA 1 41 LYS HB2 . . 2.980 2.440 2.420 2.480 . 0 0 "[ . 1 . 2]" 1
1124 1 41 LYS HA 1 42 GLU HA . . 4.770 4.654 4.597 4.680 . 0 0 "[ . 1 . 2]" 1
1125 1 41 LYS HA 1 43 TYR H . . 5.130 4.916 4.628 5.022 . 0 0 "[ . 1 . 2]" 1
1126 1 41 LYS HB2 1 41 LYS HE2 . . 5.500 3.415 2.189 4.421 . 0 0 "[ . 1 . 2]" 1
1127 1 41 LYS HB2 1 41 LYS HE3 . . 5.500 3.203 2.077 4.607 . 0 0 "[ . 1 . 2]" 1
1128 1 41 LYS HB2 1 42 GLU H . . 4.690 4.133 4.042 4.286 . 0 0 "[ . 1 . 2]" 1
1129 1 41 LYS HB2 1 42 GLU HA . . 4.800 4.684 4.625 4.776 . 0 0 "[ . 1 . 2]" 1
1130 1 41 LYS HB2 1 42 GLU HB2 . . 5.500 5.467 5.365 5.506 0.006 3 0 "[ . 1 . 2]" 1
1131 1 41 LYS HB3 1 42 GLU H . . 5.030 4.185 4.098 4.351 . 0 0 "[ . 1 . 2]" 1
1132 1 41 LYS QE 1 41 LYS QG . . 3.250 2.152 1.993 2.500 . 0 0 "[ . 1 . 2]" 1
1133 1 41 LYS QG 1 42 GLU H . . 4.490 2.633 2.445 2.944 . 0 0 "[ . 1 . 2]" 1
1134 1 41 LYS QG 1 42 GLU HA . . 4.500 3.619 3.344 4.383 . 0 0 "[ . 1 . 2]" 1
1135 1 41 LYS HG2 1 42 GLU H . . 5.190 3.427 3.065 4.606 . 0 0 "[ . 1 . 2]" 1
1136 1 41 LYS HG3 1 42 GLU H . . 5.190 2.784 2.489 3.421 . 0 0 "[ . 1 . 2]" 1
1137 1 42 GLU H 1 42 GLU HB2 . . 3.150 2.762 2.578 2.918 . 0 0 "[ . 1 . 2]" 1
1138 1 42 GLU H 1 42 GLU HB3 . . 3.280 2.465 2.411 2.596 . 0 0 "[ . 1 . 2]" 1
1139 1 42 GLU H 1 42 GLU HG2 . . 4.840 4.597 4.477 4.718 . 0 0 "[ . 1 . 2]" 1
1140 1 42 GLU H 1 42 GLU HG3 . . 4.500 4.404 4.336 4.456 . 0 0 "[ . 1 . 2]" 1
1141 1 42 GLU H 1 43 TYR H . . 3.390 2.449 2.339 2.517 . 0 0 "[ . 1 . 2]" 1
1142 1 42 GLU H 1 43 TYR QD . . 5.040 4.881 4.578 5.040 . 0 0 "[ . 1 . 2]" 1
1143 1 42 GLU H 1 44 SER H . . 4.570 3.379 3.280 3.440 . 0 0 "[ . 1 . 2]" 1
1144 1 42 GLU HA 1 42 GLU HG2 . . 3.890 3.745 3.674 3.800 . 0 0 "[ . 1 . 2]" 1
1145 1 42 GLU HA 1 42 GLU HG3 . . 3.830 2.840 2.560 3.370 . 0 0 "[ . 1 . 2]" 1
1146 1 42 GLU HA 1 43 TYR HA . . 5.040 4.614 4.580 4.623 . 0 0 "[ . 1 . 2]" 1
1147 1 42 GLU HA 1 43 TYR QD . . 5.350 5.158 5.025 5.357 0.007 19 0 "[ . 1 . 2]" 1
1148 1 42 GLU HA 1 44 SER H . . 4.710 3.847 3.800 3.967 . 0 0 "[ . 1 . 2]" 1
1149 1 42 GLU HB2 1 43 TYR H . . 4.040 3.756 3.638 3.906 . 0 0 "[ . 1 . 2]" 1
1150 1 42 GLU HB2 1 43 TYR QD . . 5.120 5.123 5.117 5.129 0.009 17 0 "[ . 1 . 2]" 1
1151 1 42 GLU HB2 1 44 SER H . . 5.490 5.272 5.193 5.410 . 0 0 "[ . 1 . 2]" 1
1152 1 42 GLU HB3 1 43 TYR H . . 3.460 2.356 2.277 2.574 . 0 0 "[ . 1 . 2]" 1
1153 1 42 GLU HB3 1 43 TYR QD . . 4.090 3.785 3.608 3.861 . 0 0 "[ . 1 . 2]" 1
1154 1 42 GLU HB3 1 43 TYR QE . . 4.430 4.073 3.938 4.187 . 0 0 "[ . 1 . 2]" 1
1155 1 42 GLU HB3 1 44 SER H . . 5.170 4.477 4.414 4.619 . 0 0 "[ . 1 . 2]" 1
1156 1 42 GLU HG2 1 43 TYR H . . 5.040 4.069 3.623 4.533 . 0 0 "[ . 1 . 2]" 1
1157 1 42 GLU HG2 1 43 TYR QD . . 4.450 3.774 3.150 4.392 . 0 0 "[ . 1 . 2]" 1
1158 1 42 GLU HG2 1 43 TYR QE . . 4.060 3.222 2.693 3.773 . 0 0 "[ . 1 . 2]" 1
1159 1 42 GLU HG3 1 43 TYR H . . 4.460 3.662 3.222 3.945 . 0 0 "[ . 1 . 2]" 1
1160 1 42 GLU HG3 1 43 TYR QD . . 4.560 3.323 2.688 4.036 . 0 0 "[ . 1 . 2]" 1
1161 1 42 GLU HG3 1 43 TYR QE . . 4.200 3.567 2.797 4.177 . 0 0 "[ . 1 . 2]" 1
1162 1 43 TYR H 1 43 TYR HB2 . . 3.270 2.606 2.581 2.643 . 0 0 "[ . 1 . 2]" 1
1163 1 43 TYR H 1 43 TYR HB3 . . 3.790 3.658 3.647 3.703 . 0 0 "[ . 1 . 2]" 1
1164 1 43 TYR H 1 43 TYR QD . . 3.440 3.171 2.985 3.260 . 0 0 "[ . 1 . 2]" 1
1165 1 43 TYR H 1 43 TYR QE . . 4.860 4.530 4.437 4.652 . 0 0 "[ . 1 . 2]" 1
1166 1 43 TYR H 1 44 SER H . . 3.070 2.535 2.386 2.599 . 0 0 "[ . 1 . 2]" 1
1167 1 43 TYR H 1 44 SER HA . . 5.460 4.637 4.470 4.666 . 0 0 "[ . 1 . 2]" 1
1168 1 43 TYR H 1 44 SER QB . . 5.340 5.196 4.923 5.337 . 0 0 "[ . 1 . 2]" 1
1169 1 43 TYR H 1 45 LEU H . . 4.360 3.977 3.621 4.360 . 0 0 "[ . 1 . 2]" 1
1170 1 43 TYR H 1 45 LEU MD1 . . 4.650 4.219 3.984 4.383 . 0 0 "[ . 1 . 2]" 1
1171 1 43 TYR H 1 45 LEU MD2 . . 4.710 4.147 3.966 4.291 . 0 0 "[ . 1 . 2]" 1
1172 1 43 TYR H 1 45 LEU HG . . 4.030 3.443 3.307 3.621 . 0 0 "[ . 1 . 2]" 1
1173 1 43 TYR HA 1 43 TYR QD . . 3.200 2.280 2.152 2.500 . 0 0 "[ . 1 . 2]" 1
1174 1 43 TYR HA 1 43 TYR QE . . 4.650 4.518 4.456 4.615 . 0 0 "[ . 1 . 2]" 1
1175 1 43 TYR HA 1 45 LEU MD2 . . 4.710 4.088 3.904 4.372 . 0 0 "[ . 1 . 2]" 1
1176 1 43 TYR HA 1 45 LEU HG . . 4.910 4.751 4.640 4.902 . 0 0 "[ . 1 . 2]" 1
1177 1 43 TYR HA 1 80 VAL QG . . 4.870 4.538 4.309 4.678 . 0 0 "[ . 1 . 2]" 1
1178 1 43 TYR HB2 1 44 SER H . . 4.230 3.753 3.710 3.843 . 0 0 "[ . 1 . 2]" 1
1179 1 43 TYR HB2 1 45 LEU H . . 4.630 3.815 3.394 4.435 . 0 0 "[ . 1 . 2]" 1
1180 1 43 TYR HB2 1 45 LEU HB2 . . 5.100 4.623 4.438 4.941 . 0 0 "[ . 1 . 2]" 1
1181 1 43 TYR HB2 1 45 LEU MD1 . . 4.000 2.874 2.726 2.980 . 0 0 "[ . 1 . 2]" 1
1182 1 43 TYR HB2 1 45 LEU MD2 . . 3.240 2.033 1.959 2.223 . 0 0 "[ . 1 . 2]" 1
1183 1 43 TYR HB2 1 45 LEU HG . . 3.490 2.201 2.007 2.495 . 0 0 "[ . 1 . 2]" 1
1184 1 43 TYR HB2 1 76 TYR QE . . 5.500 4.955 4.765 5.227 . 0 0 "[ . 1 . 2]" 1
1185 1 43 TYR HB2 1 80 VAL HB . . 5.500 4.932 4.589 5.077 . 0 0 "[ . 1 . 2]" 1
1186 1 43 TYR HB2 1 80 VAL MG1 . . 4.380 3.217 2.810 3.432 . 0 0 "[ . 1 . 2]" 1
1187 1 43 TYR HB2 1 80 VAL QG . . 3.590 3.076 2.687 3.275 . 0 0 "[ . 1 . 2]" 1
1188 1 43 TYR HB2 1 80 VAL MG2 . . 4.380 3.917 3.417 4.163 . 0 0 "[ . 1 . 2]" 1
1189 1 43 TYR HB3 1 44 SER H . . 4.600 4.443 4.423 4.481 . 0 0 "[ . 1 . 2]" 1
1190 1 43 TYR HB3 1 45 LEU MD1 . . 4.420 4.074 3.904 4.229 . 0 0 "[ . 1 . 2]" 1
1191 1 43 TYR HB3 1 45 LEU MD2 . . 3.180 2.494 2.319 2.810 . 0 0 "[ . 1 . 2]" 1
1192 1 43 TYR HB3 1 45 LEU HG . . 4.120 3.766 3.573 4.064 . 0 0 "[ . 1 . 2]" 1
1193 1 43 TYR HB3 1 76 TYR QE . . 5.040 4.166 3.911 4.572 . 0 0 "[ . 1 . 2]" 1
1194 1 43 TYR HB3 1 80 VAL HB . . 5.400 5.110 4.818 5.246 . 0 0 "[ . 1 . 2]" 1
1195 1 43 TYR HB3 1 80 VAL MG1 . . 4.710 3.010 2.723 3.204 . 0 0 "[ . 1 . 2]" 1
1196 1 43 TYR HB3 1 80 VAL QG . . 3.560 2.789 2.524 2.962 . 0 0 "[ . 1 . 2]" 1
1197 1 43 TYR HB3 1 80 VAL MG2 . . 4.710 3.305 2.950 3.567 . 0 0 "[ . 1 . 2]" 1
1198 1 43 TYR QD 1 44 SER H . . 5.500 4.715 4.683 4.778 . 0 0 "[ . 1 . 2]" 1
1199 1 43 TYR QD 1 45 LEU MD1 . . 4.000 2.403 2.141 2.650 . 0 0 "[ . 1 . 2]" 1
1200 1 43 TYR QD 1 45 LEU MD2 . . 4.070 3.283 2.913 3.524 . 0 0 "[ . 1 . 2]" 1
1201 1 43 TYR QD 1 45 LEU HG . . 4.120 3.385 3.124 3.656 . 0 0 "[ . 1 . 2]" 1
1202 1 43 TYR QD 1 80 VAL HB . . 5.170 4.186 4.013 4.527 . 0 0 "[ . 1 . 2]" 1
1203 1 43 TYR QD 1 80 VAL MG1 . . 4.520 2.291 2.121 2.595 . 0 0 "[ . 1 . 2]" 1
1204 1 43 TYR QD 1 80 VAL QG . . 3.470 2.276 2.112 2.568 . 0 0 "[ . 1 . 2]" 1
1205 1 43 TYR QD 1 80 VAL MG2 . . 4.520 3.951 3.867 4.152 . 0 0 "[ . 1 . 2]" 1
1206 1 43 TYR QD 1 81 LEU QD . . 4.740 3.840 3.416 4.135 . 0 0 "[ . 1 . 2]" 1
1207 1 43 TYR QD 1 81 LEU HG . . 5.500 5.256 5.050 5.502 0.002 3 0 "[ . 1 . 2]" 1
1208 1 43 TYR QE 1 80 VAL QG . . 3.980 2.782 2.609 2.997 . 0 0 "[ . 1 . 2]" 1
1209 1 43 TYR QE 1 81 LEU QD . . 4.390 3.891 3.501 4.391 0.001 8 0 "[ . 1 . 2]" 1
1210 1 43 TYR QE 1 84 HIS HB2 . . 4.710 3.658 3.337 4.021 . 0 0 "[ . 1 . 2]" 1
1211 1 43 TYR QE 1 84 HIS HB3 . . 4.870 4.459 4.206 4.768 . 0 0 "[ . 1 . 2]" 1
1212 1 43 TYR QE 1 84 HIS HD2 . . 4.460 3.796 3.266 4.437 . 0 0 "[ . 1 . 2]" 1
1213 1 43 TYR QE 1 84 HIS HE1 . . 5.500 5.391 5.015 5.504 0.004 19 0 "[ . 1 . 2]" 1
1214 1 44 SER H 1 44 SER HA . . 2.590 2.280 2.279 2.281 . 0 0 "[ . 1 . 2]" 1
1215 1 44 SER H 1 44 SER QB . . 3.400 3.237 2.866 3.353 . 0 0 "[ . 1 . 2]" 1
1216 1 44 SER H 1 45 LEU H . . 3.330 2.961 2.842 3.162 . 0 0 "[ . 1 . 2]" 1
1217 1 44 SER H 1 45 LEU MD1 . . 5.240 5.210 5.049 5.249 0.009 1 0 "[ . 1 . 2]" 1
1218 1 44 SER H 1 45 LEU MD2 . . 4.980 4.325 4.101 4.646 . 0 0 "[ . 1 . 2]" 1
1219 1 44 SER H 1 45 LEU HG . . 4.210 3.913 3.803 3.952 . 0 0 "[ . 1 . 2]" 1
1220 1 44 SER HA 1 45 LEU H . . 3.020 2.606 2.421 2.745 . 0 0 "[ . 1 . 2]" 1
1221 1 44 SER HA 1 45 LEU HG . . 5.110 4.628 4.376 4.749 . 0 0 "[ . 1 . 2]" 1
1222 1 44 SER HA 1 46 MET QG . . 5.340 4.496 4.374 4.643 . 0 0 "[ . 1 . 2]" 1
1223 1 44 SER QB 1 45 LEU H . . 4.270 3.906 3.882 3.978 . 0 0 "[ . 1 . 2]" 1
1224 1 44 SER QB 1 46 MET ME . . 4.040 3.568 2.777 4.042 0.002 15 0 "[ . 1 . 2]" 1
1225 1 44 SER QB 1 46 MET QG . . 4.760 4.104 3.777 4.587 . 0 0 "[ . 1 . 2]" 1
1226 1 45 LEU H 1 45 LEU HB2 . . 3.100 2.587 2.551 2.638 . 0 0 "[ . 1 . 2]" 1
1227 1 45 LEU H 1 45 LEU HB3 . . 3.920 3.640 3.596 3.712 . 0 0 "[ . 1 . 2]" 1
1228 1 45 LEU H 1 45 LEU MD1 . . 4.090 3.754 3.583 3.920 . 0 0 "[ . 1 . 2]" 1
1229 1 45 LEU H 1 45 LEU MD2 . . 3.650 3.217 3.108 3.434 . 0 0 "[ . 1 . 2]" 1
1230 1 45 LEU H 1 45 LEU HG . . 3.000 2.320 2.109 2.570 . 0 0 "[ . 1 . 2]" 1
1231 1 45 LEU H 1 46 MET H . . 4.610 4.585 4.526 4.621 0.011 20 0 "[ . 1 . 2]" 1
1232 1 45 LEU HA 1 45 LEU MD1 . . 4.280 3.866 3.839 3.910 . 0 0 "[ . 1 . 2]" 1
1233 1 45 LEU HA 1 45 LEU MD2 . . 2.830 1.982 1.965 2.022 . 0 0 "[ . 1 . 2]" 1
1234 1 45 LEU HA 1 45 LEU HG . . 3.950 3.309 3.214 3.374 . 0 0 "[ . 1 . 2]" 1
1235 1 45 LEU HA 1 46 MET H . . 2.780 2.265 2.187 2.301 . 0 0 "[ . 1 . 2]" 1
1236 1 45 LEU HA 1 46 MET HB2 . . 5.000 4.556 4.433 4.729 . 0 0 "[ . 1 . 2]" 1
1237 1 45 LEU HA 1 46 MET HG2 . . 4.710 4.316 3.997 4.408 . 0 0 "[ . 1 . 2]" 1
1238 1 45 LEU HA 1 46 MET HG3 . . 4.710 3.835 3.605 4.096 . 0 0 "[ . 1 . 2]" 1
1239 1 45 LEU HA 1 76 TYR QE . . 4.920 4.764 4.572 4.923 0.003 20 0 "[ . 1 . 2]" 1
1240 1 45 LEU HA 1 77 ASN HD22 . . 4.700 3.309 3.154 3.456 . 0 0 "[ . 1 . 2]" 1
1241 1 45 LEU HB2 1 45 LEU MD1 . . 3.420 2.361 2.294 2.413 . 0 0 "[ . 1 . 2]" 1
1242 1 45 LEU HB2 1 45 LEU MD2 . . 3.570 3.180 3.176 3.191 . 0 0 "[ . 1 . 2]" 1
1243 1 45 LEU HB2 1 46 MET H . . 4.320 3.774 3.699 4.000 . 0 0 "[ . 1 . 2]" 1
1244 1 45 LEU HB3 1 45 LEU MD1 . . 3.290 2.342 2.289 2.407 . 0 0 "[ . 1 . 2]" 1
1245 1 45 LEU HB3 1 45 LEU MD2 . . 3.260 2.393 2.372 2.416 . 0 0 "[ . 1 . 2]" 1
1246 1 45 LEU HB3 1 46 MET H . . 3.650 2.805 2.695 3.073 . 0 0 "[ . 1 . 2]" 1
1247 1 45 LEU HB3 1 48 ILE H . . 5.500 5.475 5.374 5.502 0.002 8 0 "[ . 1 . 2]" 1
1248 1 45 LEU HB3 1 48 ILE HB . . 4.330 3.675 3.500 3.776 . 0 0 "[ . 1 . 2]" 1
1249 1 45 LEU HB3 1 48 ILE MD . . 3.580 3.495 3.267 3.581 0.001 18 0 "[ . 1 . 2]" 1
1250 1 45 LEU HB3 1 77 ASN HA . . 5.040 4.290 4.109 4.437 . 0 0 "[ . 1 . 2]" 1
1251 1 45 LEU HB3 1 77 ASN HD21 . . 5.040 3.041 2.914 3.114 . 0 0 "[ . 1 . 2]" 1
1252 1 45 LEU HB3 1 77 ASN HD22 . . 4.430 2.329 2.246 2.451 . 0 0 "[ . 1 . 2]" 1
1253 1 45 LEU MD1 1 46 MET H . . 5.400 4.694 4.582 4.956 . 0 0 "[ . 1 . 2]" 1
1254 1 45 LEU MD1 1 48 ILE MD . . 3.350 2.819 2.663 2.899 . 0 0 "[ . 1 . 2]" 1
1255 1 45 LEU MD1 1 48 ILE HG13 . . 5.400 5.318 5.170 5.398 . 0 0 "[ . 1 . 2]" 1
1256 1 45 LEU MD1 1 73 THR MG . . 4.630 4.642 4.633 4.650 0.020 14 0 "[ . 1 . 2]" 1
1257 1 45 LEU MD1 1 77 ASN HA . . 3.920 3.170 2.901 3.471 . 0 0 "[ . 1 . 2]" 1
1258 1 45 LEU MD1 1 77 ASN HB2 . . 4.560 3.974 3.813 4.137 . 0 0 "[ . 1 . 2]" 1
1259 1 45 LEU MD1 1 77 ASN HB3 . . 3.950 2.464 2.331 2.562 . 0 0 "[ . 1 . 2]" 1
1260 1 45 LEU MD1 1 77 ASN HD22 . . 4.430 3.954 3.800 4.227 . 0 0 "[ . 1 . 2]" 1
1261 1 45 LEU MD1 1 80 VAL QG . . 3.610 2.704 2.502 2.834 . 0 0 "[ . 1 . 2]" 1
1262 1 45 LEU MD1 1 81 LEU HG . . 4.170 3.126 2.969 3.278 . 0 0 "[ . 1 . 2]" 1
1263 1 45 LEU MD2 1 46 MET H . . 3.810 3.563 3.480 3.707 . 0 0 "[ . 1 . 2]" 1
1264 1 45 LEU MD2 1 76 TYR QD . . 3.770 2.966 2.852 3.071 . 0 0 "[ . 1 . 2]" 1
1265 1 45 LEU MD2 1 76 TYR QE . . 3.240 2.843 2.763 3.012 . 0 0 "[ . 1 . 2]" 1
1266 1 45 LEU MD2 1 77 ASN HA . . 3.330 2.598 2.116 2.852 . 0 0 "[ . 1 . 2]" 1
1267 1 45 LEU MD2 1 77 ASN HB2 . . 4.560 4.364 3.864 4.561 0.001 7 0 "[ . 1 . 2]" 1
1268 1 45 LEU MD2 1 77 ASN HB3 . . 3.710 3.460 2.810 3.715 0.005 12 0 "[ . 1 . 2]" 1
1269 1 45 LEU MD2 1 77 ASN HD21 . . 4.490 4.291 3.954 4.444 . 0 0 "[ . 1 . 2]" 1
1270 1 45 LEU MD2 1 77 ASN HD22 . . 4.140 3.592 3.512 3.696 . 0 0 "[ . 1 . 2]" 1
1271 1 45 LEU MD2 1 80 VAL H . . 5.220 4.685 4.398 4.848 . 0 0 "[ . 1 . 2]" 1
1272 1 45 LEU MD2 1 80 VAL HB . . 3.770 3.077 2.886 3.223 . 0 0 "[ . 1 . 2]" 1
1273 1 45 LEU MD2 1 80 VAL QG . . 3.120 2.439 2.290 2.550 . 0 0 "[ . 1 . 2]" 1
1274 1 45 LEU MD2 1 81 LEU H . . 5.100 4.780 4.423 5.020 . 0 0 "[ . 1 . 2]" 1
1275 1 45 LEU HG 1 76 TYR QE . . 5.500 5.503 5.485 5.506 0.006 8 0 "[ . 1 . 2]" 1
1276 1 45 LEU HG 1 77 ASN HA . . 5.500 5.322 5.092 5.467 . 0 0 "[ . 1 . 2]" 1
1277 1 45 LEU HG 1 80 VAL QG . . 4.970 4.038 3.902 4.175 . 0 0 "[ . 1 . 2]" 1
1278 1 45 LEU HG 1 81 LEU QD . . 5.440 4.753 4.551 4.978 . 0 0 "[ . 1 . 2]" 1
1279 1 46 MET H 1 46 MET HB2 . . 3.300 2.850 2.798 2.877 . 0 0 "[ . 1 . 2]" 1
1280 1 46 MET H 1 46 MET HB3 . . 3.900 3.889 3.851 3.907 0.007 15 0 "[ . 1 . 2]" 1
1281 1 46 MET H 1 46 MET HG2 . . 3.710 3.650 3.277 3.711 0.001 11 0 "[ . 1 . 2]" 1
1282 1 46 MET H 1 46 MET HG3 . . 3.710 3.291 2.810 3.565 . 0 0 "[ . 1 . 2]" 1
1283 1 46 MET H 1 47 GLU H . . 4.570 4.424 4.414 4.460 . 0 0 "[ . 1 . 2]" 1
1284 1 46 MET H 1 47 GLU HG2 . . 5.500 5.379 5.236 5.490 . 0 0 "[ . 1 . 2]" 1
1285 1 46 MET H 1 47 GLU HG3 . . 5.500 4.649 4.529 4.765 . 0 0 "[ . 1 . 2]" 1
1286 1 46 MET H 1 77 ASN HD21 . . 4.490 3.638 3.588 3.738 . 0 0 "[ . 1 . 2]" 1
1287 1 46 MET H 1 77 ASN HD22 . . 3.840 1.939 1.898 2.026 . 0 0 "[ . 1 . 2]" 1
1288 1 46 MET HA 1 46 MET ME . . 4.770 4.520 4.171 4.757 . 0 0 "[ . 1 . 2]" 1
1289 1 46 MET HA 1 46 MET HG2 . . 3.640 2.463 2.358 2.616 . 0 0 "[ . 1 . 2]" 1
1290 1 46 MET HA 1 46 MET HG3 . . 3.640 3.486 3.406 3.629 . 0 0 "[ . 1 . 2]" 1
1291 1 46 MET HA 1 47 GLU H . . 3.250 2.429 2.377 2.453 . 0 0 "[ . 1 . 2]" 1
1292 1 46 MET HA 1 47 GLU HA . . 4.710 4.548 4.514 4.563 . 0 0 "[ . 1 . 2]" 1
1293 1 46 MET HA 1 47 GLU HG2 . . 5.500 4.547 4.449 4.674 . 0 0 "[ . 1 . 2]" 1
1294 1 46 MET HA 1 47 GLU HG3 . . 5.500 4.860 4.751 5.009 . 0 0 "[ . 1 . 2]" 1
1295 1 46 MET HA 1 48 ILE H . . 4.460 3.306 3.197 3.472 . 0 0 "[ . 1 . 2]" 1
1296 1 46 MET HA 1 48 ILE MG . . 4.430 3.531 3.455 3.654 . 0 0 "[ . 1 . 2]" 1
1297 1 46 MET HB2 1 47 GLU H . . 4.210 3.489 3.413 3.581 . 0 0 "[ . 1 . 2]" 1
1298 1 46 MET HB2 1 47 GLU HA . . 5.350 5.133 5.044 5.255 . 0 0 "[ . 1 . 2]" 1
1299 1 46 MET HB2 1 77 ASN HD22 . . 5.040 4.342 4.259 4.429 . 0 0 "[ . 1 . 2]" 1
1300 1 46 MET HB3 1 47 GLU H . . 3.400 2.405 2.345 2.564 . 0 0 "[ . 1 . 2]" 1
1301 1 46 MET HB3 1 47 GLU HA . . 5.040 4.369 4.287 4.531 . 0 0 "[ . 1 . 2]" 1
1302 1 46 MET HB3 1 48 ILE MG . . 5.500 5.385 5.309 5.500 0.000 5 0 "[ . 1 . 2]" 1
1303 1 46 MET QG 1 47 GLU H . . 4.950 4.054 3.973 4.220 . 0 0 "[ . 1 . 2]" 1
1304 1 46 MET QG 1 77 ASN HD22 . . 5.340 4.709 4.493 4.914 . 0 0 "[ . 1 . 2]" 1
1305 1 47 GLU H 1 47 GLU HG2 . . 4.550 2.663 2.606 2.727 . 0 0 "[ . 1 . 2]" 1
1306 1 47 GLU H 1 47 GLU QG . . 3.680 2.600 2.561 2.644 . 0 0 "[ . 1 . 2]" 1
1307 1 47 GLU H 1 47 GLU HG3 . . 4.550 3.655 3.551 3.763 . 0 0 "[ . 1 . 2]" 1
1308 1 47 GLU H 1 48 ILE H . . 3.560 2.618 2.608 2.641 . 0 0 "[ . 1 . 2]" 1
1309 1 47 GLU H 1 48 ILE MG . . 4.750 3.968 3.934 4.004 . 0 0 "[ . 1 . 2]" 1
1310 1 47 GLU HA 1 47 GLU HB3 . . 2.810 2.386 2.376 2.399 . 0 0 "[ . 1 . 2]" 1
1311 1 47 GLU HA 1 47 GLU QG . . 3.060 2.542 2.512 2.570 . 0 0 "[ . 1 . 2]" 1
1312 1 47 GLU HA 1 48 ILE H . . 3.090 2.915 2.832 2.977 . 0 0 "[ . 1 . 2]" 1
1313 1 47 GLU HA 1 48 ILE HA . . 4.710 4.538 4.494 4.570 . 0 0 "[ . 1 . 2]" 1
1314 1 47 GLU HA 1 48 ILE MG . . 4.770 4.585 4.541 4.636 . 0 0 "[ . 1 . 2]" 1
1315 1 47 GLU HB2 1 48 ILE H . . 4.180 4.088 4.017 4.176 . 0 0 "[ . 1 . 2]" 1
1316 1 47 GLU HB2 1 48 ILE MG . . 5.500 5.436 5.397 5.484 . 0 0 "[ . 1 . 2]" 1
1317 1 47 GLU HB2 1 74 THR H . . 4.570 3.811 3.686 3.935 . 0 0 "[ . 1 . 2]" 1
1318 1 47 GLU HB2 1 74 THR MG . . 3.190 2.837 2.635 3.089 . 0 0 "[ . 1 . 2]" 1
1319 1 47 GLU HB2 1 77 ASN HD21 . . 4.700 4.356 4.244 4.473 . 0 0 "[ . 1 . 2]" 1
1320 1 47 GLU HB2 1 77 ASN HD22 . . 4.460 4.125 4.050 4.246 . 0 0 "[ . 1 . 2]" 1
1321 1 47 GLU HG2 1 48 ILE H . . 5.500 4.699 4.640 4.742 . 0 0 "[ . 1 . 2]" 1
1322 1 47 GLU HG2 1 74 THR MG . . 5.500 5.090 4.963 5.374 . 0 0 "[ . 1 . 2]" 1
1323 1 47 GLU HG3 1 48 ILE H . . 5.500 5.271 5.148 5.350 . 0 0 "[ . 1 . 2]" 1
1324 1 47 GLU HG3 1 74 THR MG . . 5.500 3.906 3.717 4.149 . 0 0 "[ . 1 . 2]" 1
1325 1 48 ILE H 1 48 ILE HB . . 3.340 2.824 2.773 2.907 . 0 0 "[ . 1 . 2]" 1
1326 1 48 ILE H 1 48 ILE MD . . 4.650 4.526 4.488 4.587 . 0 0 "[ . 1 . 2]" 1
1327 1 48 ILE H 1 48 ILE HG12 . . 4.790 4.594 4.582 4.607 . 0 0 "[ . 1 . 2]" 1
1328 1 48 ILE H 1 48 ILE HG13 . . 4.600 4.491 4.473 4.523 . 0 0 "[ . 1 . 2]" 1
1329 1 48 ILE H 1 48 ILE MG . . 3.100 2.019 1.996 2.063 . 0 0 "[ . 1 . 2]" 1
1330 1 48 ILE H 1 49 ASP H . . 4.810 4.497 4.459 4.552 . 0 0 "[ . 1 . 2]" 1
1331 1 48 ILE H 1 50 THR MG . . 5.500 5.022 4.922 5.093 . 0 0 "[ . 1 . 2]" 1
1332 1 48 ILE H 1 73 THR HG1 . . 5.080 4.436 4.376 4.549 . 0 0 "[ . 1 . 2]" 1
1333 1 48 ILE HA 1 48 ILE MD . . 3.850 3.457 3.414 3.508 . 0 0 "[ . 1 . 2]" 1
1334 1 48 ILE HA 1 48 ILE HG12 . . 4.030 3.348 3.309 3.374 . 0 0 "[ . 1 . 2]" 1
1335 1 48 ILE HA 1 48 ILE HG13 . . 3.590 2.239 2.231 2.251 . 0 0 "[ . 1 . 2]" 1
1336 1 48 ILE HA 1 48 ILE MG . . 3.510 3.191 3.187 3.193 . 0 0 "[ . 1 . 2]" 1
1337 1 48 ILE HA 1 49 ASP H . . 3.210 2.191 2.181 2.283 . 0 0 "[ . 1 . 2]" 1
1338 1 48 ILE HA 1 49 ASP QB . . 4.460 4.019 3.969 4.130 . 0 0 "[ . 1 . 2]" 1
1339 1 48 ILE HA 1 72 ALA MB . . 5.210 4.942 4.798 5.109 . 0 0 "[ . 1 . 2]" 1
1340 1 48 ILE HA 1 73 THR HA . . 4.330 2.232 2.173 2.321 . 0 0 "[ . 1 . 2]" 1
1341 1 48 ILE HA 1 73 THR HB . . 3.520 3.524 3.521 3.528 0.008 18 0 "[ . 1 . 2]" 1
1342 1 48 ILE HA 1 73 THR HG1 . . 3.920 2.386 2.230 2.550 . 0 0 "[ . 1 . 2]" 1
1343 1 48 ILE HA 1 74 THR H . . 3.930 3.389 3.296 3.514 . 0 0 "[ . 1 . 2]" 1
1344 1 48 ILE HA 1 77 ASN HD22 . . 4.910 4.754 4.630 4.831 . 0 0 "[ . 1 . 2]" 1
1345 1 48 ILE HB 1 48 ILE MD . . 2.880 2.139 2.084 2.194 . 0 0 "[ . 1 . 2]" 1
1346 1 48 ILE HB 1 49 ASP H . . 4.560 4.151 3.988 4.170 . 0 0 "[ . 1 . 2]" 1
1347 1 48 ILE HB 1 73 THR HA . . 5.040 4.002 3.848 4.147 . 0 0 "[ . 1 . 2]" 1
1348 1 48 ILE HB 1 73 THR HB . . 4.120 4.071 3.977 4.117 . 0 0 "[ . 1 . 2]" 1
1349 1 48 ILE HB 1 73 THR HG1 . . 3.830 2.425 2.264 2.565 . 0 0 "[ . 1 . 2]" 1
1350 1 48 ILE HB 1 73 THR MG . . 5.250 4.792 4.721 4.850 . 0 0 "[ . 1 . 2]" 1
1351 1 48 ILE HB 1 74 THR H . . 4.930 4.225 4.118 4.323 . 0 0 "[ . 1 . 2]" 1
1352 1 48 ILE HB 1 77 ASN HB2 . . 4.630 4.367 4.240 4.472 . 0 0 "[ . 1 . 2]" 1
1353 1 48 ILE HB 1 77 ASN HB3 . . 4.750 4.140 4.042 4.258 . 0 0 "[ . 1 . 2]" 1
1354 1 48 ILE HB 1 77 ASN HD21 . . 3.880 2.314 2.162 2.413 . 0 0 "[ . 1 . 2]" 1
1355 1 48 ILE HB 1 77 ASN HD22 . . 4.140 3.164 3.022 3.251 . 0 0 "[ . 1 . 2]" 1
1356 1 48 ILE MD 1 49 ASP H . . 4.490 4.014 3.705 4.083 . 0 0 "[ . 1 . 2]" 1
1357 1 48 ILE MD 1 53 PHE QE . . 3.810 3.660 3.464 3.806 . 0 0 "[ . 1 . 2]" 1
1358 1 48 ILE MD 1 73 THR HA . . 5.040 3.815 3.757 3.913 . 0 0 "[ . 1 . 2]" 1
1359 1 48 ILE MD 1 73 THR HB . . 3.470 2.276 2.189 2.361 . 0 0 "[ . 1 . 2]" 1
1360 1 48 ILE MD 1 73 THR HG1 . . 4.430 2.353 2.067 2.575 . 0 0 "[ . 1 . 2]" 1
1361 1 48 ILE MD 1 73 THR MG . . 3.050 2.967 2.896 3.004 . 0 0 "[ . 1 . 2]" 1
1362 1 48 ILE MD 1 74 THR H . . 4.850 4.314 4.255 4.416 . 0 0 "[ . 1 . 2]" 1
1363 1 48 ILE MD 1 77 ASN H . . 5.500 5.455 5.385 5.493 . 0 0 "[ . 1 . 2]" 1
1364 1 48 ILE MD 1 77 ASN HA . . 4.800 4.793 4.749 4.804 0.004 17 0 "[ . 1 . 2]" 1
1365 1 48 ILE MD 1 77 ASN HB2 . . 4.060 3.422 3.293 3.482 . 0 0 "[ . 1 . 2]" 1
1366 1 48 ILE MD 1 77 ASN HB3 . . 3.830 2.647 2.571 2.669 . 0 0 "[ . 1 . 2]" 1
1367 1 48 ILE MD 1 77 ASN HD21 . . 3.920 2.670 2.573 2.761 . 0 0 "[ . 1 . 2]" 1
1368 1 48 ILE MD 1 77 ASN HD22 . . 3.900 3.828 3.769 3.894 . 0 0 "[ . 1 . 2]" 1
1369 1 48 ILE MD 1 78 THR HG1 . . 5.500 5.333 5.282 5.396 . 0 0 "[ . 1 . 2]" 1
1370 1 48 ILE MD 1 81 LEU QD . . 4.130 2.094 1.969 2.216 . 0 0 "[ . 1 . 2]" 1
1371 1 48 ILE HG12 1 48 ILE MG . . 2.860 2.037 2.013 2.069 . 0 0 "[ . 1 . 2]" 1
1372 1 48 ILE HG12 1 49 ASP H . . 4.320 3.154 2.767 3.223 . 0 0 "[ . 1 . 2]" 1
1373 1 48 ILE HG12 1 50 THR HA . . 4.800 3.664 3.554 3.793 . 0 0 "[ . 1 . 2]" 1
1374 1 48 ILE HG12 1 50 THR MG . . 3.690 2.950 2.748 3.284 . 0 0 "[ . 1 . 2]" 1
1375 1 48 ILE HG12 1 53 PHE QD . . 4.710 4.568 4.422 4.705 . 0 0 "[ . 1 . 2]" 1
1376 1 48 ILE HG12 1 53 PHE QE . . 4.710 3.881 3.564 4.060 . 0 0 "[ . 1 . 2]" 1
1377 1 48 ILE HG12 1 73 THR HB . . 4.120 3.594 3.507 3.632 . 0 0 "[ . 1 . 2]" 1
1378 1 48 ILE HG12 1 73 THR HG1 . . 4.630 3.881 3.669 4.048 . 0 0 "[ . 1 . 2]" 1
1379 1 48 ILE HG12 1 77 ASN HD21 . . 5.000 4.906 4.801 4.956 . 0 0 "[ . 1 . 2]" 1
1380 1 48 ILE HG13 1 48 ILE MG . . 3.530 3.111 3.096 3.129 . 0 0 "[ . 1 . 2]" 1
1381 1 48 ILE HG13 1 49 ASP H . . 4.090 2.355 2.000 2.451 . 0 0 "[ . 1 . 2]" 1
1382 1 48 ILE HG13 1 50 THR HA . . 5.500 4.953 4.859 5.124 . 0 0 "[ . 1 . 2]" 1
1383 1 48 ILE HG13 1 50 THR MG . . 4.800 4.434 4.301 4.686 . 0 0 "[ . 1 . 2]" 1
1384 1 48 ILE HG13 1 53 PHE QD . . 5.500 5.222 5.092 5.374 . 0 0 "[ . 1 . 2]" 1
1385 1 48 ILE HG13 1 53 PHE QE . . 4.490 3.720 3.490 3.948 . 0 0 "[ . 1 . 2]" 1
1386 1 48 ILE HG13 1 72 ALA MB . . 4.490 4.069 3.977 4.170 . 0 0 "[ . 1 . 2]" 1
1387 1 48 ILE HG13 1 73 THR HB . . 3.600 2.092 2.001 2.137 . 0 0 "[ . 1 . 2]" 1
1388 1 48 ILE HG13 1 73 THR HG1 . . 4.710 2.435 2.201 2.578 . 0 0 "[ . 1 . 2]" 1
1389 1 48 ILE HG13 1 77 ASN HD21 . . 4.560 3.988 3.862 4.060 . 0 0 "[ . 1 . 2]" 1
1390 1 48 ILE HG13 1 77 ASN HD22 . . 5.500 5.457 5.338 5.502 0.002 7 0 "[ . 1 . 2]" 1
1391 1 48 ILE HG13 1 81 LEU QD . . 5.390 3.996 3.907 4.108 . 0 0 "[ . 1 . 2]" 1
1392 1 48 ILE MG 1 49 ASP H . . 4.240 3.772 3.545 3.813 . 0 0 "[ . 1 . 2]" 1
1393 1 48 ILE MG 1 49 ASP QB . . 5.340 4.922 4.790 5.005 . 0 0 "[ . 1 . 2]" 1
1394 1 48 ILE MG 1 50 THR H . . 4.430 3.385 3.250 3.613 . 0 0 "[ . 1 . 2]" 1
1395 1 48 ILE MG 1 50 THR HA . . 4.090 4.091 4.045 4.096 0.006 9 0 "[ . 1 . 2]" 1
1396 1 48 ILE MG 1 50 THR HB . . 5.120 4.823 4.743 4.931 . 0 0 "[ . 1 . 2]" 1
1397 1 48 ILE MG 1 50 THR MG . . 3.090 2.266 2.114 2.389 . 0 0 "[ . 1 . 2]" 1
1398 1 48 ILE MG 1 73 THR HB . . 4.750 4.746 4.694 4.755 0.005 7 0 "[ . 1 . 2]" 1
1399 1 48 ILE MG 1 73 THR HG1 . . 4.630 3.980 3.831 4.104 . 0 0 "[ . 1 . 2]" 1
1400 1 48 ILE MG 1 77 ASN HB3 . . 5.350 5.131 5.038 5.222 . 0 0 "[ . 1 . 2]" 1
1401 1 48 ILE MG 1 77 ASN HD21 . . 4.710 3.889 3.738 3.978 . 0 0 "[ . 1 . 2]" 1
1402 1 48 ILE MG 1 77 ASN HD22 . . 4.350 4.131 3.915 4.247 . 0 0 "[ . 1 . 2]" 1
1403 1 49 ASP H 1 49 ASP HB2 . . 3.480 2.574 2.221 2.781 . 0 0 "[ . 1 . 2]" 1
1404 1 49 ASP H 1 49 ASP QB . . 3.040 2.345 2.197 2.444 . 0 0 "[ . 1 . 2]" 1
1405 1 49 ASP H 1 49 ASP HB3 . . 3.480 2.768 2.538 3.483 0.003 8 0 "[ . 1 . 2]" 1
1406 1 49 ASP H 1 72 ALA HA . . 4.910 4.001 3.916 4.143 . 0 0 "[ . 1 . 2]" 1
1407 1 49 ASP H 1 72 ALA MB . . 4.630 3.460 3.328 3.646 . 0 0 "[ . 1 . 2]" 1
1408 1 49 ASP H 1 73 THR HB . . 4.380 3.597 3.375 3.685 . 0 0 "[ . 1 . 2]" 1
1409 1 49 ASP H 1 73 THR MG . . 5.040 4.905 4.772 4.970 . 0 0 "[ . 1 . 2]" 1
1410 1 49 ASP HA 1 50 THR H . . 2.830 2.241 2.191 2.278 . 0 0 "[ . 1 . 2]" 1
1411 1 49 ASP HA 1 50 THR HA . . 4.910 4.493 4.454 4.519 . 0 0 "[ . 1 . 2]" 1
1412 1 49 ASP HA 1 50 THR MG . . 4.240 3.999 3.839 4.125 . 0 0 "[ . 1 . 2]" 1
1413 1 49 ASP HA 1 51 SER H . . 4.100 3.356 3.264 3.430 . 0 0 "[ . 1 . 2]" 1
1414 1 49 ASP QB 1 50 THR H . . 4.170 3.976 3.729 4.022 . 0 0 "[ . 1 . 2]" 1
1415 1 49 ASP QB 1 52 PHE H . . 4.190 3.234 2.655 3.484 . 0 0 "[ . 1 . 2]" 1
1416 1 49 ASP QB 1 52 PHE HB3 . . 4.410 3.666 3.368 3.924 . 0 0 "[ . 1 . 2]" 1
1417 1 49 ASP QB 1 52 PHE QD . . 5.080 3.654 3.231 4.112 . 0 0 "[ . 1 . 2]" 1
1418 1 49 ASP QB 1 53 PHE QE . . 4.720 4.062 3.758 4.253 . 0 0 "[ . 1 . 2]" 1
1419 1 49 ASP QB 1 72 ALA H . . 5.340 4.890 4.756 4.977 . 0 0 "[ . 1 . 2]" 1
1420 1 49 ASP QB 1 72 ALA HA . . 3.660 2.551 2.467 2.624 . 0 0 "[ . 1 . 2]" 1
1421 1 49 ASP QB 1 72 ALA MB . . 3.710 2.305 2.068 2.622 . 0 0 "[ . 1 . 2]" 1
1422 1 49 ASP QB 1 73 THR H . . 5.170 4.713 4.563 4.816 . 0 0 "[ . 1 . 2]" 1
1423 1 49 ASP HB2 1 50 THR H . . 4.800 4.615 4.559 4.653 . 0 0 "[ . 1 . 2]" 1
1424 1 49 ASP HB2 1 52 PHE H . . 4.810 4.707 4.124 4.813 0.003 6 0 "[ . 1 . 2]" 1
1425 1 49 ASP HB2 1 72 ALA HA . . 4.330 3.140 2.503 3.458 . 0 0 "[ . 1 . 2]" 1
1426 1 49 ASP HB2 1 72 ALA MB . . 4.380 3.579 2.399 4.059 . 0 0 "[ . 1 . 2]" 1
1427 1 49 ASP HB3 1 50 THR H . . 4.800 4.344 3.942 4.454 . 0 0 "[ . 1 . 2]" 1
1428 1 49 ASP HB3 1 52 PHE H . . 4.810 3.296 2.688 3.576 . 0 0 "[ . 1 . 2]" 1
1429 1 49 ASP HB3 1 72 ALA HA . . 4.330 2.763 2.551 3.760 . 0 0 "[ . 1 . 2]" 1
1430 1 49 ASP HB3 1 72 ALA MB . . 4.380 2.367 2.086 3.035 . 0 0 "[ . 1 . 2]" 1
1431 1 50 THR H 1 50 THR MG . . 3.220 2.252 2.087 2.378 . 0 0 "[ . 1 . 2]" 1
1432 1 50 THR H 1 51 SER H . . 3.500 2.585 2.496 2.635 . 0 0 "[ . 1 . 2]" 1
1433 1 50 THR H 1 52 PHE H . . 4.800 4.263 4.173 4.398 . 0 0 "[ . 1 . 2]" 1
1434 1 50 THR H 1 53 PHE QD . . 5.440 4.887 4.780 4.967 . 0 0 "[ . 1 . 2]" 1
1435 1 50 THR HA 1 50 THR HB . . 2.980 2.444 2.416 2.464 . 0 0 "[ . 1 . 2]" 1
1436 1 50 THR HA 1 50 THR MG . . 2.940 2.320 2.254 2.401 . 0 0 "[ . 1 . 2]" 1
1437 1 50 THR HA 1 52 PHE H . . 4.120 3.830 3.693 4.035 . 0 0 "[ . 1 . 2]" 1
1438 1 50 THR HA 1 52 PHE HB3 . . 5.040 4.835 4.690 4.959 . 0 0 "[ . 1 . 2]" 1
1439 1 50 THR HA 1 53 PHE H . . 3.940 3.515 3.387 3.603 . 0 0 "[ . 1 . 2]" 1
1440 1 50 THR HA 1 53 PHE HB2 . . 4.240 3.744 3.518 3.821 . 0 0 "[ . 1 . 2]" 1
1441 1 50 THR HA 1 53 PHE HB3 . . 5.500 5.438 5.215 5.502 0.002 19 0 "[ . 1 . 2]" 1
1442 1 50 THR HA 1 53 PHE QD . . 2.890 2.505 2.418 2.555 . 0 0 "[ . 1 . 2]" 1
1443 1 50 THR HA 1 53 PHE QE . . 4.000 3.997 3.897 4.006 0.006 16 0 "[ . 1 . 2]" 1
1444 1 50 THR HB 1 51 SER H . . 4.570 3.978 3.907 4.055 . 0 0 "[ . 1 . 2]" 1
1445 1 50 THR HB 1 53 PHE QD . . 4.650 4.529 4.463 4.597 . 0 0 "[ . 1 . 2]" 1
1446 1 50 THR MG 1 51 SER H . . 4.460 3.966 3.907 4.041 . 0 0 "[ . 1 . 2]" 1
1447 1 50 THR MG 1 51 SER QB . . 5.340 5.265 5.162 5.330 . 0 0 "[ . 1 . 2]" 1
1448 1 50 THR MG 1 53 PHE H . . 5.500 5.273 5.163 5.376 . 0 0 "[ . 1 . 2]" 1
1449 1 50 THR MG 1 53 PHE QD . . 4.350 4.290 4.190 4.350 0.000 4 0 "[ . 1 . 2]" 1
1450 1 51 SER H 1 51 SER HB2 . . 3.640 2.918 2.071 3.530 . 0 0 "[ . 1 . 2]" 1
1451 1 51 SER H 1 51 SER QB . . 3.040 2.098 2.049 2.217 . 0 0 "[ . 1 . 2]" 1
1452 1 51 SER H 1 51 SER HB3 . . 3.640 2.458 2.109 3.329 . 0 0 "[ . 1 . 2]" 1
1453 1 51 SER H 1 52 PHE H . . 3.260 2.650 2.581 2.729 . 0 0 "[ . 1 . 2]" 1
1454 1 51 SER H 1 52 PHE HB2 . . 4.860 4.605 4.515 4.695 . 0 0 "[ . 1 . 2]" 1
1455 1 51 SER H 1 53 PHE H . . 5.020 4.179 4.123 4.213 . 0 0 "[ . 1 . 2]" 1
1456 1 51 SER H 1 72 ALA MB . . 5.500 5.502 5.500 5.507 0.007 7 0 "[ . 1 . 2]" 1
1457 1 51 SER HA 1 51 SER HB2 . . 2.950 2.431 2.261 2.883 . 0 0 "[ . 1 . 2]" 1
1458 1 51 SER HA 1 51 SER QB . . 2.560 2.284 2.160 2.541 . 0 0 "[ . 1 . 2]" 1
1459 1 51 SER HA 1 51 SER HB3 . . 2.950 2.840 2.634 2.950 0.000 16 0 "[ . 1 . 2]" 1
1460 1 51 SER HA 1 53 PHE H . . 4.330 3.777 3.689 3.872 . 0 0 "[ . 1 . 2]" 1
1461 1 51 SER HA 1 54 GLN H . . 3.870 3.374 3.258 3.468 . 0 0 "[ . 1 . 2]" 1
1462 1 51 SER HA 1 54 GLN HB2 . . 3.880 3.796 3.697 3.885 0.005 10 0 "[ . 1 . 2]" 1
1463 1 51 SER HA 1 54 GLN HB3 . . 3.880 2.187 2.107 2.256 . 0 0 "[ . 1 . 2]" 1
1464 1 51 SER HA 1 54 GLN QG . . 3.760 3.730 3.505 3.770 0.010 4 0 "[ . 1 . 2]" 1
1465 1 51 SER QB 1 52 PHE H . . 3.470 3.171 2.922 3.470 . 0 0 "[ . 1 . 2]" 1
1466 1 51 SER QB 1 54 GLN QB . . 4.510 3.702 3.372 4.129 . 0 0 "[ . 1 . 2]" 1
1467 1 51 SER QB 1 54 GLN QE . . 4.740 4.275 3.316 4.739 . 0 0 "[ . 1 . 2]" 1
1468 1 52 PHE H 1 52 PHE HB2 . . 2.920 2.216 2.174 2.336 . 0 0 "[ . 1 . 2]" 1
1469 1 52 PHE H 1 52 PHE HB3 . . 2.960 2.912 2.768 2.963 0.003 17 0 "[ . 1 . 2]" 1
1470 1 52 PHE H 1 52 PHE QD . . 4.300 3.951 3.857 4.094 . 0 0 "[ . 1 . 2]" 1
1471 1 52 PHE H 1 54 GLN H . . 4.700 4.116 3.927 4.229 . 0 0 "[ . 1 . 2]" 1
1472 1 52 PHE H 1 72 ALA MB . . 4.490 3.786 3.718 3.859 . 0 0 "[ . 1 . 2]" 1
1473 1 52 PHE HA 1 52 PHE QD . . 3.450 2.956 2.830 3.060 . 0 0 "[ . 1 . 2]" 1
1474 1 52 PHE HA 1 52 PHE QE . . 4.800 4.490 4.432 4.548 . 0 0 "[ . 1 . 2]" 1
1475 1 52 PHE HA 1 53 PHE HA . . 4.800 4.548 4.536 4.570 . 0 0 "[ . 1 . 2]" 1
1476 1 52 PHE HA 1 53 PHE QD . . 5.500 4.924 4.876 4.994 . 0 0 "[ . 1 . 2]" 1
1477 1 52 PHE HA 1 54 GLN H . . 4.190 3.859 3.808 3.910 . 0 0 "[ . 1 . 2]" 1
1478 1 52 PHE HA 1 54 GLN QG . . 4.910 4.255 4.156 4.352 . 0 0 "[ . 1 . 2]" 1
1479 1 52 PHE HA 1 56 MET ME . . 4.770 4.539 4.287 4.772 0.002 13 0 "[ . 1 . 2]" 1
1480 1 52 PHE HA 1 72 ALA MB . . 4.710 4.246 4.185 4.402 . 0 0 "[ . 1 . 2]" 1
1481 1 52 PHE HB2 1 53 PHE H . . 4.090 3.799 3.747 3.890 . 0 0 "[ . 1 . 2]" 1
1482 1 52 PHE HB2 1 53 PHE QD . . 4.710 4.086 3.992 4.183 . 0 0 "[ . 1 . 2]" 1
1483 1 52 PHE HB2 1 53 PHE QE . . 4.800 3.982 3.891 4.205 . 0 0 "[ . 1 . 2]" 1
1484 1 52 PHE HB2 1 54 GLN H . . 5.500 5.493 5.435 5.513 0.013 1 0 "[ . 1 . 2]" 1
1485 1 52 PHE HB2 1 56 MET ME . . 5.490 5.040 4.877 5.252 . 0 0 "[ . 1 . 2]" 1
1486 1 52 PHE HB2 1 72 ALA HA . . 4.910 3.615 3.387 3.830 . 0 0 "[ . 1 . 2]" 1
1487 1 52 PHE HB2 1 72 ALA MB . . 3.660 2.179 2.064 2.361 . 0 0 "[ . 1 . 2]" 1
1488 1 52 PHE HB3 1 53 PHE H . . 3.660 3.067 2.993 3.123 . 0 0 "[ . 1 . 2]" 1
1489 1 52 PHE HB3 1 53 PHE HA . . 4.800 4.319 4.284 4.356 . 0 0 "[ . 1 . 2]" 1
1490 1 52 PHE HB3 1 53 PHE QD . . 3.760 3.006 2.897 3.113 . 0 0 "[ . 1 . 2]" 1
1491 1 52 PHE HB3 1 53 PHE QE . . 4.200 2.989 2.915 3.079 . 0 0 "[ . 1 . 2]" 1
1492 1 52 PHE HB3 1 53 PHE HZ . . 5.500 4.097 3.986 4.388 . 0 0 "[ . 1 . 2]" 1
1493 1 52 PHE HB3 1 54 GLN H . . 5.220 5.007 4.912 5.038 . 0 0 "[ . 1 . 2]" 1
1494 1 52 PHE HB3 1 64 MET ME . . 4.710 4.287 4.103 4.484 . 0 0 "[ . 1 . 2]" 1
1495 1 52 PHE HB3 1 72 ALA MB . . 3.660 2.260 2.059 2.395 . 0 0 "[ . 1 . 2]" 1
1496 1 52 PHE QD 1 53 PHE H . . 4.700 4.433 4.270 4.560 . 0 0 "[ . 1 . 2]" 1
1497 1 52 PHE QD 1 53 PHE HA . . 4.490 4.192 3.879 4.486 . 0 0 "[ . 1 . 2]" 1
1498 1 52 PHE QD 1 53 PHE QD . . 4.240 4.058 3.912 4.238 . 0 0 "[ . 1 . 2]" 1
1499 1 52 PHE QD 1 53 PHE QE . . 4.310 3.834 3.687 4.075 . 0 0 "[ . 1 . 2]" 1
1500 1 52 PHE QD 1 53 PHE HZ . . 4.710 4.224 3.973 4.639 . 0 0 "[ . 1 . 2]" 1
1501 1 52 PHE QD 1 56 MET ME . . 3.660 2.214 2.014 2.529 . 0 0 "[ . 1 . 2]" 1
1502 1 52 PHE QD 1 64 MET ME . . 4.120 2.901 2.676 3.322 . 0 0 "[ . 1 . 2]" 1
1503 1 52 PHE QD 1 72 ALA HA . . 4.490 3.581 3.174 4.040 . 0 0 "[ . 1 . 2]" 1
1504 1 52 PHE QD 1 72 ALA MB . . 3.790 2.722 2.597 2.871 . 0 0 "[ . 1 . 2]" 1
1505 1 52 PHE QE 1 56 MET ME . . 3.330 2.752 2.348 3.000 . 0 0 "[ . 1 . 2]" 1
1506 1 52 PHE QE 1 64 MET ME . . 3.700 3.175 2.880 3.538 . 0 0 "[ . 1 . 2]" 1
1507 1 52 PHE QE 1 71 ARG HB2 . . 4.560 3.888 3.542 4.103 . 0 0 "[ . 1 . 2]" 1
1508 1 52 PHE QE 1 71 ARG HB3 . . 4.930 3.653 3.184 4.060 . 0 0 "[ . 1 . 2]" 1
1509 1 52 PHE QE 1 71 ARG HD2 . . 5.500 5.057 4.832 5.431 . 0 0 "[ . 1 . 2]" 1
1510 1 52 PHE QE 1 71 ARG HD3 . . 5.040 4.716 4.475 4.905 . 0 0 "[ . 1 . 2]" 1
1511 1 52 PHE QE 1 72 ALA MB . . 4.910 3.511 3.407 3.685 . 0 0 "[ . 1 . 2]" 1
1512 1 52 PHE HZ 1 68 ASP QB . . 4.910 4.759 4.448 4.911 0.001 15 0 "[ . 1 . 2]" 1
1513 1 52 PHE HZ 1 71 ARG HB2 . . 4.790 3.591 3.416 3.889 . 0 0 "[ . 1 . 2]" 1
1514 1 52 PHE HZ 1 71 ARG HB3 . . 5.450 3.886 3.641 4.294 . 0 0 "[ . 1 . 2]" 1
1515 1 52 PHE HZ 1 71 ARG HD2 . . 5.200 4.347 4.107 4.811 . 0 0 "[ . 1 . 2]" 1
1516 1 52 PHE HZ 1 71 ARG HD3 . . 5.500 4.483 4.169 4.889 . 0 0 "[ . 1 . 2]" 1
1517 1 53 PHE H 1 53 PHE HB2 . . 3.190 2.700 2.613 2.737 . 0 0 "[ . 1 . 2]" 1
1518 1 53 PHE H 1 53 PHE HB3 . . 3.850 3.760 3.720 3.781 . 0 0 "[ . 1 . 2]" 1
1519 1 53 PHE H 1 53 PHE QE . . 4.650 4.343 4.279 4.388 . 0 0 "[ . 1 . 2]" 1
1520 1 53 PHE H 1 54 GLN H . . 2.950 2.464 2.355 2.568 . 0 0 "[ . 1 . 2]" 1
1521 1 53 PHE H 1 54 GLN HA . . 4.560 4.427 4.364 4.504 . 0 0 "[ . 1 . 2]" 1
1522 1 53 PHE H 1 54 GLN QB . . 4.520 4.076 4.034 4.185 . 0 0 "[ . 1 . 2]" 1
1523 1 53 PHE H 1 55 ASN H . . 5.500 4.699 4.576 4.790 . 0 0 "[ . 1 . 2]" 1
1524 1 53 PHE H 1 56 MET ME . . 5.000 4.334 4.190 4.458 . 0 0 "[ . 1 . 2]" 1
1525 1 53 PHE HA 1 53 PHE QD . . 3.470 3.062 3.029 3.080 . 0 0 "[ . 1 . 2]" 1
1526 1 53 PHE HA 1 53 PHE QE . . 5.100 4.799 4.765 4.816 . 0 0 "[ . 1 . 2]" 1
1527 1 53 PHE HA 1 54 GLN HA . . 4.980 4.761 4.730 4.797 . 0 0 "[ . 1 . 2]" 1
1528 1 53 PHE HA 1 55 ASN H . . 4.670 3.345 3.196 3.507 . 0 0 "[ . 1 . 2]" 1
1529 1 53 PHE HA 1 56 MET H . . 3.860 3.064 2.825 3.387 . 0 0 "[ . 1 . 2]" 1
1530 1 53 PHE HA 1 56 MET HB2 . . 4.890 2.306 2.157 2.520 . 0 0 "[ . 1 . 2]" 1
1531 1 53 PHE HA 1 56 MET HB3 . . 3.330 2.407 2.209 2.606 . 0 0 "[ . 1 . 2]" 1
1532 1 53 PHE HA 1 56 MET ME . . 2.960 2.429 2.279 2.530 . 0 0 "[ . 1 . 2]" 1
1533 1 53 PHE HA 1 56 MET HG2 . . 4.180 4.051 3.888 4.177 . 0 0 "[ . 1 . 2]" 1
1534 1 53 PHE HB2 1 54 GLN H . . 4.070 3.962 3.786 4.020 . 0 0 "[ . 1 . 2]" 1
1535 1 53 PHE HB2 1 56 MET HB3 . . 4.910 4.184 4.025 4.390 . 0 0 "[ . 1 . 2]" 1
1536 1 53 PHE HB3 1 54 GLN H . . 4.570 4.503 4.434 4.520 . 0 0 "[ . 1 . 2]" 1
1537 1 53 PHE HB3 1 54 GLN HA . . 5.500 5.143 5.019 5.184 . 0 0 "[ . 1 . 2]" 1
1538 1 53 PHE HB3 1 56 MET HB3 . . 4.290 2.594 2.411 2.841 . 0 0 "[ . 1 . 2]" 1
1539 1 53 PHE HB3 1 56 MET ME . . 4.200 3.494 3.374 3.701 . 0 0 "[ . 1 . 2]" 1
1540 1 53 PHE HB3 1 56 MET HG2 . . 5.040 3.916 3.688 4.232 . 0 0 "[ . 1 . 2]" 1
1541 1 53 PHE HB3 1 61 LEU QD . . 4.400 3.663 3.356 4.391 . 0 0 "[ . 1 . 2]" 1
1542 1 53 PHE QD 1 56 MET HB3 . . 4.480 2.846 2.590 3.019 . 0 0 "[ . 1 . 2]" 1
1543 1 53 PHE QD 1 56 MET ME . . 3.360 2.171 2.010 2.404 . 0 0 "[ . 1 . 2]" 1
1544 1 53 PHE QD 1 56 MET HG2 . . 4.800 2.647 2.340 2.929 . 0 0 "[ . 1 . 2]" 1
1545 1 53 PHE QD 1 56 MET HG3 . . 5.500 4.302 4.009 4.570 . 0 0 "[ . 1 . 2]" 1
1546 1 53 PHE QD 1 61 LEU HA . . 4.710 4.074 3.847 4.290 . 0 0 "[ . 1 . 2]" 1
1547 1 53 PHE QD 1 61 LEU HB2 . . 4.710 3.709 3.387 4.254 . 0 0 "[ . 1 . 2]" 1
1548 1 53 PHE QD 1 61 LEU QD . . 3.210 2.561 2.417 2.809 . 0 0 "[ . 1 . 2]" 1
1549 1 53 PHE QD 1 61 LEU HG . . 5.370 5.207 3.806 5.380 0.010 10 0 "[ . 1 . 2]" 1
1550 1 53 PHE QD 1 64 MET ME . . 4.110 3.621 3.472 3.833 . 0 0 "[ . 1 . 2]" 1
1551 1 53 PHE QD 1 72 ALA MB . . 4.170 3.795 3.591 3.946 . 0 0 "[ . 1 . 2]" 1
1552 1 53 PHE QE 1 56 MET ME . . 3.720 2.334 2.234 2.533 . 0 0 "[ . 1 . 2]" 1
1553 1 53 PHE QE 1 61 LEU HA . . 5.040 4.168 3.773 4.513 . 0 0 "[ . 1 . 2]" 1
1554 1 53 PHE QE 1 61 LEU HB2 . . 5.500 4.906 4.489 5.487 . 0 0 "[ . 1 . 2]" 1
1555 1 53 PHE QE 1 61 LEU QD . . 3.180 2.675 2.349 2.844 . 0 0 "[ . 1 . 2]" 1
1556 1 53 PHE QE 1 61 LEU HG . . 5.500 5.355 4.508 5.503 0.003 11 0 "[ . 1 . 2]" 1
1557 1 53 PHE QE 1 64 MET ME . . 3.130 1.983 1.880 2.241 . 0 0 "[ . 1 . 2]" 1
1558 1 53 PHE QE 1 64 MET HG3 . . 5.310 3.429 3.106 3.750 . 0 0 "[ . 1 . 2]" 1
1559 1 53 PHE QE 1 69 PHE HA . . 4.800 4.076 3.859 4.262 . 0 0 "[ . 1 . 2]" 1
1560 1 53 PHE QE 1 69 PHE QE . . 4.000 2.636 1.996 3.290 . 0 0 "[ . 1 . 2]" 1
1561 1 53 PHE QE 1 69 PHE HZ . . 3.900 3.555 3.297 3.808 . 0 0 "[ . 1 . 2]" 1
1562 1 53 PHE QE 1 72 ALA MB . . 3.120 2.395 2.274 2.556 . 0 0 "[ . 1 . 2]" 1
1563 1 53 PHE QE 1 73 THR HB . . 4.910 3.592 3.418 3.759 . 0 0 "[ . 1 . 2]" 1
1564 1 53 PHE QE 1 73 THR MG . . 4.710 4.211 4.041 4.342 . 0 0 "[ . 1 . 2]" 1
1565 1 53 PHE QE 1 81 LEU QD . . 5.020 3.897 3.765 3.958 . 0 0 "[ . 1 . 2]" 1
1566 1 53 PHE HZ 1 64 MET ME . . 4.090 2.701 2.436 3.013 . 0 0 "[ . 1 . 2]" 1
1567 1 53 PHE HZ 1 69 PHE HA . . 4.380 3.118 2.944 3.360 . 0 0 "[ . 1 . 2]" 1
1568 1 53 PHE HZ 1 69 PHE QD . . 3.920 2.281 2.000 2.818 . 0 0 "[ . 1 . 2]" 1
1569 1 53 PHE HZ 1 69 PHE QE . . 4.470 2.859 2.690 3.147 . 0 0 "[ . 1 . 2]" 1
1570 1 53 PHE HZ 1 72 ALA MB . . 3.520 2.693 2.429 2.890 . 0 0 "[ . 1 . 2]" 1
1571 1 53 PHE HZ 1 73 THR MG . . 4.200 3.770 3.560 4.026 . 0 0 "[ . 1 . 2]" 1
1572 1 53 PHE HZ 1 81 LEU QD . . 5.060 3.748 3.566 3.849 . 0 0 "[ . 1 . 2]" 1
1573 1 54 GLN H 1 54 GLN HB2 . . 3.740 3.585 3.575 3.597 . 0 0 "[ . 1 . 2]" 1
1574 1 54 GLN H 1 54 GLN QB . . 2.940 2.401 2.352 2.464 . 0 0 "[ . 1 . 2]" 1
1575 1 54 GLN H 1 54 GLN HB3 . . 3.740 2.439 2.386 2.509 . 0 0 "[ . 1 . 2]" 1
1576 1 54 GLN H 1 54 GLN HG2 . . 3.950 2.410 2.171 2.869 . 0 0 "[ . 1 . 2]" 1
1577 1 54 GLN H 1 54 GLN QG . . 3.250 2.308 2.152 2.378 . 0 0 "[ . 1 . 2]" 1
1578 1 54 GLN H 1 54 GLN HG3 . . 3.950 3.341 2.514 3.693 . 0 0 "[ . 1 . 2]" 1
1579 1 54 GLN H 1 55 ASN H . . 3.640 2.595 2.530 2.649 . 0 0 "[ . 1 . 2]" 1
1580 1 54 GLN H 1 56 MET H . . 4.860 4.115 3.927 4.376 . 0 0 "[ . 1 . 2]" 1
1581 1 54 GLN H 1 56 MET ME . . 5.310 4.896 4.794 4.989 . 0 0 "[ . 1 . 2]" 1
1582 1 54 GLN HA 1 54 GLN HG2 . . 4.060 3.843 3.700 4.113 0.053 1 0 "[ . 1 . 2]" 1
1583 1 54 GLN HA 1 54 GLN QG . . 3.490 3.335 3.326 3.361 . 0 0 "[ . 1 . 2]" 1
1584 1 54 GLN HA 1 54 GLN HG3 . . 4.060 3.669 3.564 3.794 . 0 0 "[ . 1 . 2]" 1
1585 1 54 GLN HA 1 56 MET H . . 4.500 4.363 4.316 4.428 . 0 0 "[ . 1 . 2]" 1
1586 1 54 GLN HB2 1 55 ASN H . . 4.090 4.048 3.945 4.095 0.005 17 0 "[ . 1 . 2]" 1
1587 1 54 GLN HB3 1 55 ASN H . . 4.090 3.987 3.929 4.094 0.004 10 0 "[ . 1 . 2]" 1
1588 1 54 GLN QG 1 55 ASN H . . 3.830 2.353 2.163 2.464 . 0 0 "[ . 1 . 2]" 1
1589 1 54 GLN QG 1 55 ASN QD . . 4.620 3.449 2.400 4.422 . 0 0 "[ . 1 . 2]" 1
1590 1 54 GLN HG2 1 55 ASN H . . 4.360 2.838 2.472 3.812 . 0 0 "[ . 1 . 2]" 1
1591 1 54 GLN HG3 1 55 ASN H . . 4.360 2.625 2.175 3.002 . 0 0 "[ . 1 . 2]" 1
1592 1 55 ASN H 1 55 ASN HB2 . . 3.980 3.311 2.718 3.938 . 0 0 "[ . 1 . 2]" 1
1593 1 55 ASN H 1 55 ASN QB . . 3.340 2.870 2.636 3.220 . 0 0 "[ . 1 . 2]" 1
1594 1 55 ASN H 1 55 ASN HB3 . . 3.980 3.318 2.951 3.854 . 0 0 "[ . 1 . 2]" 1
1595 1 55 ASN H 1 55 ASN QD . . 4.950 4.252 3.591 4.800 . 0 0 "[ . 1 . 2]" 1
1596 1 55 ASN H 1 56 MET H . . 3.220 2.376 2.129 2.659 . 0 0 "[ . 1 . 2]" 1
1597 1 55 ASN QB 1 56 MET H . . 4.160 3.919 3.771 4.051 . 0 0 "[ . 1 . 2]" 1
1598 1 55 ASN HB2 1 56 MET H . . 4.920 4.412 4.104 4.588 . 0 0 "[ . 1 . 2]" 1
1599 1 55 ASN HB3 1 56 MET H . . 4.920 4.416 4.125 4.665 . 0 0 "[ . 1 . 2]" 1
1600 1 56 MET H 1 56 MET HB2 . . 3.390 2.835 2.701 2.993 . 0 0 "[ . 1 . 2]" 1
1601 1 56 MET H 1 56 MET HB3 . . 3.520 2.516 2.439 2.591 . 0 0 "[ . 1 . 2]" 1
1602 1 56 MET H 1 56 MET ME . . 4.870 4.378 4.248 4.496 . 0 0 "[ . 1 . 2]" 1
1603 1 56 MET H 1 56 MET HG3 . . 5.500 4.424 4.393 4.464 . 0 0 "[ . 1 . 2]" 1
1604 1 56 MET HA 1 56 MET HG3 . . 3.400 2.527 2.443 2.604 . 0 0 "[ . 1 . 2]" 1
1605 1 56 MET HA 1 57 ASP H . . 3.070 2.186 2.173 2.200 . 0 0 "[ . 1 . 2]" 1
1606 1 56 MET HA 1 60 GLU HB2 . . 4.120 3.264 3.214 3.323 . 0 0 "[ . 1 . 2]" 1
1607 1 56 MET HA 1 60 GLU HB3 . . 4.060 4.075 4.026 4.088 0.028 10 0 "[ . 1 . 2]" 1
1608 1 56 MET HA 1 60 GLU HG2 . . 5.500 5.526 5.519 5.540 0.040 19 0 "[ . 1 . 2]" 1
1609 1 56 MET HA 1 60 GLU QG . . 4.830 4.323 4.010 4.831 0.001 19 0 "[ . 1 . 2]" 1
1610 1 56 MET HA 1 60 GLU HG3 . . 5.500 4.563 4.116 5.321 . 0 0 "[ . 1 . 2]" 1
1611 1 56 MET HB2 1 56 MET ME . . 3.570 2.058 1.979 2.174 . 0 0 "[ . 1 . 2]" 1
1612 1 56 MET HB2 1 57 ASP H . . 4.830 4.487 4.452 4.537 . 0 0 "[ . 1 . 2]" 1
1613 1 56 MET HB3 1 56 MET ME . . 4.080 2.741 2.630 2.903 . 0 0 "[ . 1 . 2]" 1
1614 1 56 MET HB3 1 57 ASP H . . 5.170 4.432 4.405 4.473 . 0 0 "[ . 1 . 2]" 1
1615 1 56 MET HB3 1 61 LEU QD . . 4.450 3.944 3.658 4.370 . 0 0 "[ . 1 . 2]" 1
1616 1 56 MET ME 1 56 MET HG2 . . 3.000 2.535 2.472 2.571 . 0 0 "[ . 1 . 2]" 1
1617 1 56 MET ME 1 56 MET HG3 . . 3.420 3.393 3.388 3.398 . 0 0 "[ . 1 . 2]" 1
1618 1 56 MET ME 1 61 LEU H . . 5.410 5.408 5.342 5.421 0.011 1 0 "[ . 1 . 2]" 1
1619 1 56 MET ME 1 61 LEU HA . . 3.740 3.544 3.454 3.620 . 0 0 "[ . 1 . 2]" 1
1620 1 56 MET ME 1 61 LEU QD . . 3.790 3.252 2.987 3.533 . 0 0 "[ . 1 . 2]" 1
1621 1 56 MET ME 1 64 MET ME . . 3.120 2.175 2.025 2.353 . 0 0 "[ . 1 . 2]" 1
1622 1 56 MET ME 1 64 MET HG3 . . 3.590 2.729 2.546 3.154 . 0 0 "[ . 1 . 2]" 1
1623 1 56 MET ME 1 68 ASP QB . . 5.340 4.361 4.289 4.494 . 0 0 "[ . 1 . 2]" 1
1624 1 56 MET ME 1 69 PHE QD . . 5.500 5.046 4.680 5.442 . 0 0 "[ . 1 . 2]" 1
1625 1 56 MET HG2 1 57 ASP H . . 4.800 4.769 4.698 4.806 0.006 11 0 "[ . 1 . 2]" 1
1626 1 56 MET HG2 1 60 GLU H . . 5.300 5.145 5.047 5.265 . 0 0 "[ . 1 . 2]" 1
1627 1 56 MET HG2 1 61 LEU H . . 4.630 3.866 3.761 3.973 . 0 0 "[ . 1 . 2]" 1
1628 1 56 MET HG2 1 61 LEU HB2 . . 4.500 2.344 2.025 2.528 . 0 0 "[ . 1 . 2]" 1
1629 1 56 MET HG2 1 61 LEU HB3 . . 5.300 3.936 3.679 4.192 . 0 0 "[ . 1 . 2]" 1
1630 1 56 MET HG2 1 61 LEU QD . . 5.440 3.006 2.680 3.245 . 0 0 "[ . 1 . 2]" 1
1631 1 56 MET HG3 1 57 ASP H . . 3.880 3.288 3.222 3.363 . 0 0 "[ . 1 . 2]" 1
1632 1 56 MET HG3 1 60 GLU H . . 4.860 3.860 3.778 3.952 . 0 0 "[ . 1 . 2]" 1
1633 1 56 MET HG3 1 60 GLU HA . . 5.500 4.494 4.400 4.613 . 0 0 "[ . 1 . 2]" 1
1634 1 56 MET HG3 1 60 GLU HB2 . . 3.060 2.209 2.058 2.345 . 0 0 "[ . 1 . 2]" 1
1635 1 56 MET HG3 1 60 GLU HB3 . . 3.830 2.840 2.714 2.993 . 0 0 "[ . 1 . 2]" 1
1636 1 56 MET HG3 1 61 LEU H . . 4.090 3.455 3.259 3.554 . 0 0 "[ . 1 . 2]" 1
1637 1 56 MET HG3 1 61 LEU HA . . 4.710 3.549 3.368 3.640 . 0 0 "[ . 1 . 2]" 1
1638 1 56 MET HG3 1 61 LEU HB2 . . 4.490 3.245 2.970 3.409 . 0 0 "[ . 1 . 2]" 1
1639 1 56 MET HG3 1 61 LEU HB3 . . 4.910 4.378 4.125 4.614 . 0 0 "[ . 1 . 2]" 1
1640 1 56 MET HG3 1 61 LEU MD1 . . 5.500 4.530 4.047 5.500 . 0 0 "[ . 1 . 2]" 1
1641 1 56 MET HG3 1 61 LEU QD . . 4.520 4.158 3.868 4.348 . 0 0 "[ . 1 . 2]" 1
1642 1 56 MET HG3 1 61 LEU MD2 . . 5.500 4.993 4.297 5.218 . 0 0 "[ . 1 . 2]" 1
1643 1 57 ASP H 1 57 ASP HB3 . . 3.310 2.768 2.756 2.776 . 0 0 "[ . 1 . 2]" 1
1644 1 57 ASP H 1 60 GLU HB2 . . 3.770 2.979 2.924 3.066 . 0 0 "[ . 1 . 2]" 1
1645 1 57 ASP H 1 60 GLU HB3 . . 4.730 4.491 4.415 4.597 . 0 0 "[ . 1 . 2]" 1
1646 1 57 ASP HA 1 58 GLY H . . 3.090 2.284 2.280 2.288 . 0 0 "[ . 1 . 2]" 1
1647 1 57 ASP HA 1 60 GLU H . . 5.140 4.640 4.600 4.703 . 0 0 "[ . 1 . 2]" 1
1648 1 57 ASP HA 1 61 LEU HB2 . . 5.500 5.400 5.260 5.508 0.008 7 0 "[ . 1 . 2]" 1
1649 1 57 ASP HB2 1 58 GLY H . . 3.060 2.772 2.762 2.787 . 0 0 "[ . 1 . 2]" 1
1650 1 57 ASP HB2 1 59 LYS H . . 3.940 2.652 2.612 2.746 . 0 0 "[ . 1 . 2]" 1
1651 1 57 ASP HB2 1 59 LYS QG . . 4.910 3.583 3.131 3.825 . 0 0 "[ . 1 . 2]" 1
1652 1 57 ASP HB3 1 58 GLY H . . 3.900 3.766 3.757 3.779 . 0 0 "[ . 1 . 2]" 1
1653 1 57 ASP HB3 1 59 LYS H . . 4.810 4.347 4.303 4.454 . 0 0 "[ . 1 . 2]" 1
1654 1 57 ASP HB3 1 59 LYS QG . . 5.340 5.005 4.642 5.291 . 0 0 "[ . 1 . 2]" 1
1655 1 58 GLY H 1 59 LYS H . . 3.280 2.909 2.882 2.957 . 0 0 "[ . 1 . 2]" 1
1656 1 58 GLY H 1 61 LEU HB3 . . 4.800 4.641 4.398 4.819 0.019 1 0 "[ . 1 . 2]" 1
1657 1 58 GLY HA2 1 60 GLU H . . 4.860 4.536 4.469 4.654 . 0 0 "[ . 1 . 2]" 1
1658 1 58 GLY HA2 1 61 LEU H . . 3.810 3.374 3.309 3.428 . 0 0 "[ . 1 . 2]" 1
1659 1 58 GLY HA2 1 61 LEU HB2 . . 3.920 3.326 3.034 3.460 . 0 0 "[ . 1 . 2]" 1
1660 1 58 GLY HA2 1 61 LEU HB3 . . 3.560 2.225 2.060 2.322 . 0 0 "[ . 1 . 2]" 1
1661 1 58 GLY HA2 1 61 LEU QD . . 4.140 2.634 2.428 3.138 . 0 0 "[ . 1 . 2]" 1
1662 1 58 GLY HA2 1 61 LEU HG . . 4.710 4.258 3.953 4.536 . 0 0 "[ . 1 . 2]" 1
1663 1 58 GLY HA2 1 62 CYS H . . 4.330 4.109 3.641 4.347 0.017 13 0 "[ . 1 . 2]" 1
1664 1 58 GLY HA2 1 85 LEU QD . . 5.440 4.721 4.540 4.811 . 0 0 "[ . 1 . 2]" 1
1665 1 58 GLY HA3 1 59 LYS H . . 3.500 2.877 2.813 2.906 . 0 0 "[ . 1 . 2]" 1
1666 1 58 GLY HA3 1 59 LYS HA . . 5.040 4.347 4.336 4.353 . 0 0 "[ . 1 . 2]" 1
1667 1 58 GLY HA3 1 60 GLU H . . 5.500 4.888 4.816 4.974 . 0 0 "[ . 1 . 2]" 1
1668 1 58 GLY HA3 1 61 LEU H . . 4.790 4.433 4.380 4.486 . 0 0 "[ . 1 . 2]" 1
1669 1 58 GLY HA3 1 61 LEU HB2 . . 5.500 5.048 4.750 5.190 . 0 0 "[ . 1 . 2]" 1
1670 1 58 GLY HA3 1 61 LEU HB3 . . 4.280 3.819 3.710 3.871 . 0 0 "[ . 1 . 2]" 1
1671 1 58 GLY HA3 1 61 LEU QD . . 4.760 3.967 3.788 4.231 . 0 0 "[ . 1 . 2]" 1
1672 1 58 GLY HA3 1 62 CYS H . . 5.170 4.933 4.543 5.147 . 0 0 "[ . 1 . 2]" 1
1673 1 59 LYS H 1 59 LYS HB2 . . 3.010 2.488 2.387 2.624 . 0 0 "[ . 1 . 2]" 1
1674 1 59 LYS H 1 59 LYS HB3 . . 3.690 3.587 3.576 3.592 . 0 0 "[ . 1 . 2]" 1
1675 1 59 LYS H 1 59 LYS HD2 . . 5.260 4.515 3.306 4.857 . 0 0 "[ . 1 . 2]" 1
1676 1 59 LYS H 1 59 LYS QD . . 4.450 4.051 3.141 4.335 . 0 0 "[ . 1 . 2]" 1
1677 1 59 LYS H 1 59 LYS HD3 . . 5.260 4.604 3.884 4.875 . 0 0 "[ . 1 . 2]" 1
1678 1 59 LYS H 1 59 LYS HE2 . . 5.500 4.206 3.690 5.503 0.003 8 0 "[ . 1 . 2]" 1
1679 1 59 LYS H 1 59 LYS HE3 . . 5.500 5.347 3.950 5.504 0.004 8 0 "[ . 1 . 2]" 1
1680 1 59 LYS H 1 59 LYS HG2 . . 3.950 2.275 1.981 2.419 . 0 0 "[ . 1 . 2]" 1
1681 1 59 LYS H 1 59 LYS QG . . 3.270 2.234 1.970 2.362 . 0 0 "[ . 1 . 2]" 1
1682 1 59 LYS H 1 59 LYS HG3 . . 3.950 3.310 3.150 3.703 . 0 0 "[ . 1 . 2]" 1
1683 1 59 LYS H 1 60 GLU HA . . 5.500 5.310 5.269 5.370 . 0 0 "[ . 1 . 2]" 1
1684 1 59 LYS H 1 60 GLU HB2 . . 4.990 4.791 4.746 4.865 . 0 0 "[ . 1 . 2]" 1
1685 1 59 LYS H 1 60 GLU QG . . 5.040 4.724 4.655 4.854 . 0 0 "[ . 1 . 2]" 1
1686 1 59 LYS H 1 61 LEU H . . 4.150 3.734 3.705 3.779 . 0 0 "[ . 1 . 2]" 1
1687 1 59 LYS H 1 61 LEU HB3 . . 5.480 4.707 4.599 4.837 . 0 0 "[ . 1 . 2]" 1
1688 1 59 LYS H 1 62 CYS H . . 5.220 4.787 4.697 4.873 . 0 0 "[ . 1 . 2]" 1
1689 1 59 LYS HA 1 59 LYS QD . . 4.570 3.091 2.017 3.498 . 0 0 "[ . 1 . 2]" 1
1690 1 59 LYS HA 1 59 LYS HG2 . . 4.000 2.749 2.600 3.188 . 0 0 "[ . 1 . 2]" 1
1691 1 59 LYS HA 1 59 LYS QG . . 3.320 2.681 2.555 3.036 . 0 0 "[ . 1 . 2]" 1
1692 1 59 LYS HA 1 59 LYS HG3 . . 4.000 3.769 3.714 3.816 . 0 0 "[ . 1 . 2]" 1
1693 1 59 LYS HA 1 61 LEU H . . 4.430 3.865 3.815 3.933 . 0 0 "[ . 1 . 2]" 1
1694 1 59 LYS HA 1 62 CYS H . . 4.000 3.578 3.524 3.723 . 0 0 "[ . 1 . 2]" 1
1695 1 59 LYS HA 1 62 CYS QB . . 3.950 3.728 3.225 3.979 0.029 17 0 "[ . 1 . 2]" 1
1696 1 59 LYS HA 1 63 LYS H . . 4.860 4.680 4.373 4.798 . 0 0 "[ . 1 . 2]" 1
1697 1 59 LYS HB2 1 59 LYS QD . . 3.660 3.295 3.264 3.448 . 0 0 "[ . 1 . 2]" 1
1698 1 59 LYS HB2 1 59 LYS QE . . 4.040 3.831 3.458 4.043 0.003 7 0 "[ . 1 . 2]" 1
1699 1 59 LYS HB2 1 60 GLU H . . 3.420 2.506 2.432 2.603 . 0 0 "[ . 1 . 2]" 1
1700 1 59 LYS HB2 1 60 GLU HA . . 4.710 4.348 4.190 4.472 . 0 0 "[ . 1 . 2]" 1
1701 1 59 LYS HB2 1 61 LEU H . . 5.040 4.595 4.541 4.670 . 0 0 "[ . 1 . 2]" 1
1702 1 59 LYS HB3 1 59 LYS QD . . 3.530 2.322 2.229 2.791 . 0 0 "[ . 1 . 2]" 1
1703 1 59 LYS HB3 1 59 LYS QE . . 5.040 2.949 2.025 3.410 . 0 0 "[ . 1 . 2]" 1
1704 1 59 LYS HB3 1 60 GLU H . . 3.850 3.551 3.479 3.733 . 0 0 "[ . 1 . 2]" 1
1705 1 59 LYS HB3 1 60 GLU HA . . 5.500 4.392 4.293 4.581 . 0 0 "[ . 1 . 2]" 1
1706 1 59 LYS HB3 1 61 LEU H . . 5.500 5.113 5.056 5.231 . 0 0 "[ . 1 . 2]" 1
1707 1 59 LYS QE 1 59 LYS QG . . 3.130 2.236 2.008 2.598 . 0 0 "[ . 1 . 2]" 1
1708 1 59 LYS QG 1 60 GLU H . . 4.480 3.984 3.796 4.134 . 0 0 "[ . 1 . 2]" 1
1709 1 59 LYS HG2 1 60 GLU H . . 5.350 4.342 4.003 4.450 . 0 0 "[ . 1 . 2]" 1
1710 1 59 LYS HG3 1 60 GLU H . . 5.350 4.650 4.532 4.937 . 0 0 "[ . 1 . 2]" 1
1711 1 60 GLU H 1 60 GLU HB2 . . 3.020 2.340 2.315 2.368 . 0 0 "[ . 1 . 2]" 1
1712 1 60 GLU H 1 60 GLU HB3 . . 3.620 3.575 3.564 3.584 . 0 0 "[ . 1 . 2]" 1
1713 1 60 GLU H 1 60 GLU HG2 . . 3.840 3.110 2.623 3.876 0.036 16 0 "[ . 1 . 2]" 1
1714 1 60 GLU H 1 60 GLU QG . . 3.290 2.588 2.507 2.651 . 0 0 "[ . 1 . 2]" 1
1715 1 60 GLU H 1 60 GLU HG3 . . 3.840 3.166 2.541 3.545 . 0 0 "[ . 1 . 2]" 1
1716 1 60 GLU H 1 61 LEU H . . 3.080 2.490 2.457 2.531 . 0 0 "[ . 1 . 2]" 1
1717 1 60 GLU H 1 61 LEU HA . . 5.400 5.060 5.029 5.103 . 0 0 "[ . 1 . 2]" 1
1718 1 60 GLU H 1 61 LEU HB2 . . 5.400 4.890 4.725 4.987 . 0 0 "[ . 1 . 2]" 1
1719 1 60 GLU H 1 61 LEU HB3 . . 5.500 4.521 4.390 4.723 . 0 0 "[ . 1 . 2]" 1
1720 1 60 GLU H 1 62 CYS H . . 4.800 4.246 4.161 4.504 . 0 0 "[ . 1 . 2]" 1
1721 1 60 GLU H 1 63 LYS QG . . 5.340 4.469 4.427 4.521 . 0 0 "[ . 1 . 2]" 1
1722 1 60 GLU HA 1 60 GLU HB3 . . 2.860 2.549 2.531 2.567 . 0 0 "[ . 1 . 2]" 1
1723 1 60 GLU HA 1 60 GLU HG2 . . 3.670 2.582 2.482 2.639 . 0 0 "[ . 1 . 2]" 1
1724 1 60 GLU HA 1 60 GLU QG . . 3.200 2.477 2.391 2.571 . 0 0 "[ . 1 . 2]" 1
1725 1 60 GLU HA 1 60 GLU HG3 . . 3.670 3.386 2.769 3.723 0.053 17 0 "[ . 1 . 2]" 1
1726 1 60 GLU HA 1 61 LEU HA . . 5.050 4.657 4.648 4.665 . 0 0 "[ . 1 . 2]" 1
1727 1 60 GLU HA 1 63 LYS QB . . 3.690 3.344 3.262 3.454 . 0 0 "[ . 1 . 2]" 1
1728 1 60 GLU HA 1 63 LYS HD2 . . 4.200 2.718 2.324 2.824 . 0 0 "[ . 1 . 2]" 1
1729 1 60 GLU HA 1 63 LYS QD . . 3.660 2.030 1.959 2.099 . 0 0 "[ . 1 . 2]" 1
1730 1 60 GLU HA 1 63 LYS HD3 . . 4.200 2.106 1.998 2.371 . 0 0 "[ . 1 . 2]" 1
1731 1 60 GLU HA 1 63 LYS QG . . 3.440 2.001 1.983 2.157 . 0 0 "[ . 1 . 2]" 1
1732 1 60 GLU HB2 1 61 LEU H . . 3.410 3.332 3.263 3.354 . 0 0 "[ . 1 . 2]" 1
1733 1 60 GLU HB2 1 61 LEU HB2 . . 5.350 4.714 4.613 4.797 . 0 0 "[ . 1 . 2]" 1
1734 1 60 GLU HB2 1 63 LYS QD . . 5.340 4.275 4.208 4.488 . 0 0 "[ . 1 . 2]" 1
1735 1 60 GLU HB2 1 63 LYS QG . . 5.340 4.485 4.460 4.605 . 0 0 "[ . 1 . 2]" 1
1736 1 60 GLU HB3 1 61 LEU H . . 4.100 4.044 4.007 4.071 . 0 0 "[ . 1 . 2]" 1
1737 1 60 GLU HB3 1 63 LYS H . . 5.500 5.345 5.230 5.575 0.075 17 0 "[ . 1 . 2]" 1
1738 1 60 GLU HB3 1 64 MET HG3 . . 5.500 4.706 4.406 5.500 . 0 0 "[ . 1 . 2]" 1
1739 1 60 GLU QG 1 61 LEU H . . 4.530 4.394 4.355 4.423 . 0 0 "[ . 1 . 2]" 1
1740 1 60 GLU QG 1 63 LYS QG . . 5.180 4.023 3.690 4.380 . 0 0 "[ . 1 . 2]" 1
1741 1 60 GLU HG2 1 61 LEU H . . 5.300 4.917 4.666 5.340 0.040 15 0 "[ . 1 . 2]" 1
1742 1 60 GLU HG3 1 61 LEU H . . 5.300 5.086 4.649 5.325 0.025 10 0 "[ . 1 . 2]" 1
1743 1 61 LEU H 1 61 LEU HB2 . . 3.140 2.891 2.722 2.988 . 0 0 "[ . 1 . 2]" 1
1744 1 61 LEU H 1 61 LEU HB3 . . 2.890 2.324 2.256 2.443 . 0 0 "[ . 1 . 2]" 1
1745 1 61 LEU H 1 61 LEU MD1 . . 4.340 4.200 3.693 4.295 . 0 0 "[ . 1 . 2]" 1
1746 1 61 LEU H 1 61 LEU MD2 . . 4.340 4.183 4.146 4.225 . 0 0 "[ . 1 . 2]" 1
1747 1 61 LEU H 1 61 LEU HG . . 4.820 4.324 4.183 4.696 . 0 0 "[ . 1 . 2]" 1
1748 1 61 LEU H 1 62 CYS H . . 3.320 2.294 2.257 2.454 . 0 0 "[ . 1 . 2]" 1
1749 1 61 LEU H 1 62 CYS QB . . 5.080 4.443 4.379 4.531 . 0 0 "[ . 1 . 2]" 1
1750 1 61 LEU H 1 62 CYS HG . . 5.370 3.788 3.661 4.657 . 0 0 "[ . 1 . 2]" 1
1751 1 61 LEU H 1 63 LYS H . . 4.650 3.604 3.489 3.669 . 0 0 "[ . 1 . 2]" 1
1752 1 61 LEU H 1 64 MET HG3 . . 5.500 4.862 4.667 4.962 . 0 0 "[ . 1 . 2]" 1
1753 1 61 LEU HA 1 61 LEU MD1 . . 4.200 2.256 1.995 3.475 . 0 0 "[ . 1 . 2]" 1
1754 1 61 LEU HA 1 61 LEU QD . . 2.820 2.100 1.989 2.189 . 0 0 "[ . 1 . 2]" 1
1755 1 61 LEU HA 1 61 LEU MD2 . . 4.200 3.744 2.003 3.965 . 0 0 "[ . 1 . 2]" 1
1756 1 61 LEU HA 1 61 LEU HG . . 3.810 3.326 3.116 3.751 . 0 0 "[ . 1 . 2]" 1
1757 1 61 LEU HA 1 64 MET H . . 4.030 3.499 3.306 3.706 . 0 0 "[ . 1 . 2]" 1
1758 1 61 LEU HA 1 64 MET HB2 . . 4.490 3.390 3.272 3.751 . 0 0 "[ . 1 . 2]" 1
1759 1 61 LEU HA 1 64 MET ME . . 5.020 4.020 3.841 4.138 . 0 0 "[ . 1 . 2]" 1
1760 1 61 LEU HA 1 64 MET HG2 . . 4.030 3.462 2.770 3.849 . 0 0 "[ . 1 . 2]" 1
1761 1 61 LEU HA 1 64 MET HG3 . . 3.260 2.309 1.985 2.478 . 0 0 "[ . 1 . 2]" 1
1762 1 61 LEU HA 1 85 LEU QD . . 5.440 4.475 4.227 4.912 . 0 0 "[ . 1 . 2]" 1
1763 1 61 LEU HB2 1 61 LEU MD1 . . 3.350 2.464 2.340 3.135 . 0 0 "[ . 1 . 2]" 1
1764 1 61 LEU HB2 1 61 LEU QD . . 2.760 2.171 2.118 2.406 . 0 0 "[ . 1 . 2]" 1
1765 1 61 LEU HB2 1 61 LEU MD2 . . 3.350 2.437 2.347 2.500 . 0 0 "[ . 1 . 2]" 1
1766 1 61 LEU HB2 1 62 CYS H . . 4.120 4.059 3.844 4.127 0.007 7 0 "[ . 1 . 2]" 1
1767 1 61 LEU HB2 1 63 LYS H . . 5.500 5.529 5.398 5.558 0.058 1 0 "[ . 1 . 2]" 1
1768 1 61 LEU HB2 1 64 MET HG3 . . 5.140 4.437 4.083 4.706 . 0 0 "[ . 1 . 2]" 1
1769 1 61 LEU HB2 1 69 PHE HZ . . 5.500 5.072 4.914 5.482 . 0 0 "[ . 1 . 2]" 1
1770 1 61 LEU HB2 1 85 LEU QD . . 5.440 4.479 4.303 4.877 . 0 0 "[ . 1 . 2]" 1
1771 1 61 LEU HB3 1 61 LEU MD1 . . 3.410 3.078 2.053 3.194 . 0 0 "[ . 1 . 2]" 1
1772 1 61 LEU HB3 1 61 LEU MD2 . . 3.410 2.297 2.129 3.164 . 0 0 "[ . 1 . 2]" 1
1773 1 61 LEU HB3 1 62 CYS H . . 3.270 2.810 2.425 2.922 . 0 0 "[ . 1 . 2]" 1
1774 1 61 LEU HB3 1 62 CYS HA . . 4.800 4.539 4.418 4.650 . 0 0 "[ . 1 . 2]" 1
1775 1 61 LEU HB3 1 63 LYS H . . 4.990 4.834 4.616 4.893 . 0 0 "[ . 1 . 2]" 1
1776 1 61 LEU HB3 1 64 MET HG3 . . 5.500 5.296 4.780 5.493 . 0 0 "[ . 1 . 2]" 1
1777 1 61 LEU HB3 1 85 LEU MD1 . . 5.220 4.347 4.011 4.818 . 0 0 "[ . 1 . 2]" 1
1778 1 61 LEU HB3 1 85 LEU QD . . 4.500 3.800 3.480 4.135 . 0 0 "[ . 1 . 2]" 1
1779 1 61 LEU HB3 1 85 LEU MD2 . . 5.220 4.200 3.787 4.542 . 0 0 "[ . 1 . 2]" 1
1780 1 61 LEU QD 1 62 CYS H . . 4.180 3.765 2.316 4.099 . 0 0 "[ . 1 . 2]" 1
1781 1 61 LEU QD 1 62 CYS HA . . 4.470 3.916 2.373 4.358 . 0 0 "[ . 1 . 2]" 1
1782 1 61 LEU QD 1 62 CYS HG . . 5.440 4.789 3.528 5.466 0.026 16 0 "[ . 1 . 2]" 1
1783 1 61 LEU QD 1 64 MET H . . 4.950 4.325 3.526 4.606 . 0 0 "[ . 1 . 2]" 1
1784 1 61 LEU QD 1 64 MET HB2 . . 4.350 3.293 2.765 3.584 . 0 0 "[ . 1 . 2]" 1
1785 1 61 LEU QD 1 64 MET HB3 . . 4.760 4.346 3.806 4.593 . 0 0 "[ . 1 . 2]" 1
1786 1 61 LEU QD 1 64 MET HG2 . . 4.830 4.416 3.517 4.834 0.004 15 0 "[ . 1 . 2]" 1
1787 1 61 LEU QD 1 64 MET HG3 . . 3.980 2.993 2.154 3.394 . 0 0 "[ . 1 . 2]" 1
1788 1 61 LEU QD 1 69 PHE QE . . 3.670 2.664 2.549 2.768 . 0 0 "[ . 1 . 2]" 1
1789 1 61 LEU QD 1 69 PHE HZ . . 3.120 1.901 1.877 2.082 . 0 0 "[ . 1 . 2]" 1
1790 1 61 LEU QD 1 85 LEU HA . . 5.440 5.429 5.135 5.484 0.044 6 0 "[ . 1 . 2]" 1
1791 1 61 LEU QD 1 85 LEU QD . . 2.760 2.002 1.773 2.110 . 0 0 "[ . 1 . 2]" 1
1792 1 61 LEU MD1 1 62 CYS H . . 4.840 4.204 2.334 4.623 . 0 0 "[ . 1 . 2]" 1
1793 1 61 LEU MD1 1 62 CYS HA . . 5.150 4.239 2.405 4.871 . 0 0 "[ . 1 . 2]" 1
1794 1 61 LEU MD1 1 85 LEU MD1 . . 3.710 2.741 1.993 3.079 . 0 0 "[ . 1 . 2]" 1
1795 1 61 LEU MD1 1 85 LEU MD2 . . 3.710 3.382 2.011 3.714 0.004 20 0 "[ . 1 . 2]" 1
1796 1 61 LEU MD2 1 62 CYS H . . 4.840 4.355 3.871 4.602 . 0 0 "[ . 1 . 2]" 1
1797 1 61 LEU MD2 1 62 CYS HA . . 5.150 4.687 3.628 4.962 . 0 0 "[ . 1 . 2]" 1
1798 1 61 LEU MD2 1 85 LEU MD1 . . 3.710 2.238 1.984 3.291 . 0 0 "[ . 1 . 2]" 1
1799 1 61 LEU MD2 1 85 LEU MD2 . . 3.710 3.385 3.188 3.658 . 0 0 "[ . 1 . 2]" 1
1800 1 61 LEU HG 1 62 CYS H . . 4.850 3.769 3.445 4.507 . 0 0 "[ . 1 . 2]" 1
1801 1 61 LEU HG 1 62 CYS HA . . 5.170 3.719 3.355 5.219 0.049 17 0 "[ . 1 . 2]" 1
1802 1 61 LEU HG 1 62 CYS QB . . 5.340 4.548 3.929 5.451 0.111 19 0 "[ . 1 . 2]" 1
1803 1 61 LEU HG 1 69 PHE QE . . 5.020 4.591 4.266 4.945 . 0 0 "[ . 1 . 2]" 1
1804 1 61 LEU HG 1 69 PHE HZ . . 4.280 3.528 3.113 4.191 . 0 0 "[ . 1 . 2]" 1
1805 1 62 CYS H 1 62 CYS HB2 . . 3.660 3.228 2.480 3.630 . 0 0 "[ . 1 . 2]" 1
1806 1 62 CYS H 1 62 CYS QB . . 2.910 2.473 2.348 2.524 . 0 0 "[ . 1 . 2]" 1
1807 1 62 CYS H 1 62 CYS HB3 . . 3.660 2.910 2.381 3.641 . 0 0 "[ . 1 . 2]" 1
1808 1 62 CYS H 1 62 CYS HG . . 3.500 2.468 2.322 3.138 . 0 0 "[ . 1 . 2]" 1
1809 1 62 CYS H 1 63 LYS H . . 3.230 2.405 2.299 2.628 . 0 0 "[ . 1 . 2]" 1
1810 1 62 CYS H 1 63 LYS QB . . 4.920 4.378 4.241 4.604 . 0 0 "[ . 1 . 2]" 1
1811 1 62 CYS H 1 64 MET H . . 4.420 4.020 3.950 4.124 . 0 0 "[ . 1 . 2]" 1
1812 1 62 CYS H 1 85 LEU MD1 . . 5.500 5.115 4.949 5.264 . 0 0 "[ . 1 . 2]" 1
1813 1 62 CYS H 1 85 LEU QD . . 4.630 3.709 3.625 3.765 . 0 0 "[ . 1 . 2]" 1
1814 1 62 CYS H 1 85 LEU MD2 . . 5.500 3.808 3.708 3.881 . 0 0 "[ . 1 . 2]" 1
1815 1 62 CYS H 1 89 ARG HD2 . . 5.500 5.169 4.955 5.366 . 0 0 "[ . 1 . 2]" 1
1816 1 62 CYS HA 1 62 CYS HG . . 4.490 3.869 2.700 4.163 . 0 0 "[ . 1 . 2]" 1
1817 1 62 CYS HA 1 64 MET H . . 4.320 4.121 3.516 4.271 . 0 0 "[ . 1 . 2]" 1
1818 1 62 CYS HA 1 85 LEU HB2 . . 5.500 5.440 5.229 5.510 0.010 1 0 "[ . 1 . 2]" 1
1819 1 62 CYS HA 1 85 LEU HB3 . . 5.110 4.561 4.353 4.707 . 0 0 "[ . 1 . 2]" 1
1820 1 62 CYS HA 1 85 LEU MD1 . . 4.630 3.971 3.754 4.167 . 0 0 "[ . 1 . 2]" 1
1821 1 62 CYS HA 1 85 LEU QD . . 3.920 2.033 1.950 2.180 . 0 0 "[ . 1 . 2]" 1
1822 1 62 CYS HA 1 85 LEU MD2 . . 4.630 2.039 1.956 2.187 . 0 0 "[ . 1 . 2]" 1
1823 1 62 CYS HA 1 85 LEU HG . . 5.500 4.624 4.518 4.908 . 0 0 "[ . 1 . 2]" 1
1824 1 62 CYS HA 1 89 ARG HD2 . . 4.030 2.806 2.508 3.176 . 0 0 "[ . 1 . 2]" 1
1825 1 62 CYS HA 1 89 ARG HD3 . . 4.430 4.191 3.838 4.424 . 0 0 "[ . 1 . 2]" 1
1826 1 62 CYS HA 1 89 ARG HG2 . . 4.920 4.720 4.363 4.942 0.022 5 0 "[ . 1 . 2]" 1
1827 1 62 CYS HA 1 89 ARG HG3 . . 5.500 4.446 4.206 4.620 . 0 0 "[ . 1 . 2]" 1
1828 1 62 CYS QB 1 63 LYS H . . 3.740 3.498 3.079 3.732 . 0 0 "[ . 1 . 2]" 1
1829 1 62 CYS QB 1 63 LYS HA . . 4.590 4.386 4.028 4.576 . 0 0 "[ . 1 . 2]" 1
1830 1 62 CYS QB 1 89 ARG HA . . 5.340 4.954 4.515 5.227 . 0 0 "[ . 1 . 2]" 1
1831 1 62 CYS QB 1 89 ARG HD2 . . 4.690 2.056 1.984 2.205 . 0 0 "[ . 1 . 2]" 1
1832 1 62 CYS QB 1 89 ARG HD3 . . 5.340 3.666 3.548 3.830 . 0 0 "[ . 1 . 2]" 1
1833 1 62 CYS HB2 1 63 LYS H . . 4.280 3.863 3.175 4.236 . 0 0 "[ . 1 . 2]" 1
1834 1 62 CYS HB3 1 63 LYS H . . 4.280 4.121 4.013 4.165 . 0 0 "[ . 1 . 2]" 1
1835 1 63 LYS H 1 63 LYS HB2 . . 3.630 3.649 3.628 3.663 0.033 7 0 "[ . 1 . 2]" 1
1836 1 63 LYS H 1 63 LYS QB . . 2.870 2.533 2.450 2.563 . 0 0 "[ . 1 . 2]" 1
1837 1 63 LYS H 1 63 LYS HB3 . . 3.630 2.583 2.491 2.617 . 0 0 "[ . 1 . 2]" 1
1838 1 63 LYS H 1 63 LYS HD2 . . 5.500 4.262 4.168 4.301 . 0 0 "[ . 1 . 2]" 1
1839 1 63 LYS H 1 63 LYS QD . . 4.690 3.892 3.873 3.915 . 0 0 "[ . 1 . 2]" 1
1840 1 63 LYS H 1 63 LYS HD3 . . 5.500 4.502 4.447 4.753 . 0 0 "[ . 1 . 2]" 1
1841 1 63 LYS H 1 63 LYS QG . . 3.230 2.253 2.226 2.360 . 0 0 "[ . 1 . 2]" 1
1842 1 63 LYS H 1 64 MET HB2 . . 4.890 4.408 4.333 4.675 . 0 0 "[ . 1 . 2]" 1
1843 1 63 LYS H 1 89 ARG HD2 . . 5.500 5.498 5.427 5.520 0.020 3 0 "[ . 1 . 2]" 1
1844 1 63 LYS HA 1 63 LYS HD2 . . 5.500 4.649 4.608 4.832 . 0 0 "[ . 1 . 2]" 1
1845 1 63 LYS HA 1 63 LYS QD . . 4.740 4.413 4.381 4.540 . 0 0 "[ . 1 . 2]" 1
1846 1 63 LYS HA 1 63 LYS HD3 . . 5.500 5.496 5.480 5.516 0.016 17 0 "[ . 1 . 2]" 1
1847 1 63 LYS HA 1 63 LYS HE2 . . 5.500 4.914 4.283 5.380 . 0 0 "[ . 1 . 2]" 1
1848 1 63 LYS HA 1 63 LYS HE3 . . 5.500 5.136 4.753 5.498 . 0 0 "[ . 1 . 2]" 1
1849 1 63 LYS HA 1 63 LYS HG2 . . 3.880 3.812 3.802 3.821 . 0 0 "[ . 1 . 2]" 1
1850 1 63 LYS HA 1 63 LYS QG . . 3.410 3.327 3.314 3.331 . 0 0 "[ . 1 . 2]" 1
1851 1 63 LYS HA 1 63 LYS HG3 . . 3.880 3.667 3.636 3.674 . 0 0 "[ . 1 . 2]" 1
1852 1 63 LYS QB 1 63 LYS QD . . 3.130 2.197 2.168 2.334 . 0 0 "[ . 1 . 2]" 1
1853 1 63 LYS QB 1 63 LYS QE . . 3.780 2.402 1.999 2.516 . 0 0 "[ . 1 . 2]" 1
1854 1 63 LYS QB 1 64 MET H . . 4.120 3.590 3.510 3.866 . 0 0 "[ . 1 . 2]" 1
1855 1 63 LYS HB2 1 63 LYS HE2 . . 5.350 2.868 2.096 3.413 . 0 0 "[ . 1 . 2]" 1
1856 1 63 LYS HB2 1 63 LYS HE3 . . 5.350 2.783 2.417 3.141 . 0 0 "[ . 1 . 2]" 1
1857 1 63 LYS HB3 1 63 LYS HE2 . . 5.350 3.972 3.388 4.339 . 0 0 "[ . 1 . 2]" 1
1858 1 63 LYS HB3 1 63 LYS HE3 . . 5.350 3.716 3.361 3.997 . 0 0 "[ . 1 . 2]" 1
1859 1 63 LYS QE 1 63 LYS QG . . 3.310 2.080 2.016 2.285 . 0 0 "[ . 1 . 2]" 1
1860 1 63 LYS QG 1 64 MET H . . 4.220 2.454 2.281 3.133 . 0 0 "[ . 1 . 2]" 1
1861 1 63 LYS QG 1 64 MET HG2 . . 5.340 2.856 2.676 3.081 . 0 0 "[ . 1 . 2]" 1
1862 1 63 LYS QG 1 64 MET HG3 . . 5.340 4.006 3.663 4.365 . 0 0 "[ . 1 . 2]" 1
1863 1 63 LYS HG2 1 64 MET H . . 4.860 2.706 2.555 3.447 . 0 0 "[ . 1 . 2]" 1
1864 1 63 LYS HG3 1 64 MET H . . 4.860 2.812 2.566 3.597 . 0 0 "[ . 1 . 2]" 1
1865 1 64 MET H 1 64 MET HB2 . . 3.050 2.432 2.402 2.482 . 0 0 "[ . 1 . 2]" 1
1866 1 64 MET H 1 64 MET HB3 . . 3.620 3.584 3.580 3.589 . 0 0 "[ . 1 . 2]" 1
1867 1 64 MET H 1 64 MET ME . . 4.930 4.592 4.477 4.641 . 0 0 "[ . 1 . 2]" 1
1868 1 64 MET H 1 64 MET HG2 . . 3.470 2.540 2.482 2.661 . 0 0 "[ . 1 . 2]" 1
1869 1 64 MET H 1 64 MET HG3 . . 3.150 3.083 2.889 3.172 0.022 19 0 "[ . 1 . 2]" 1
1870 1 64 MET H 1 65 ASN H . . 4.730 4.639 4.611 4.648 . 0 0 "[ . 1 . 2]" 1
1871 1 64 MET H 1 68 ASP QB . . 5.340 5.136 5.016 5.314 . 0 0 "[ . 1 . 2]" 1
1872 1 64 MET HA 1 64 MET ME . . 4.230 4.009 3.963 4.058 . 0 0 "[ . 1 . 2]" 1
1873 1 64 MET HA 1 64 MET HG2 . . 3.350 2.426 2.370 2.480 . 0 0 "[ . 1 . 2]" 1
1874 1 64 MET HA 1 64 MET HG3 . . 3.770 3.660 3.623 3.695 . 0 0 "[ . 1 . 2]" 1
1875 1 64 MET HA 1 65 ASN H . . 2.800 2.288 2.202 2.384 . 0 0 "[ . 1 . 2]" 1
1876 1 64 MET HA 1 65 ASN HA . . 4.910 4.408 4.379 4.442 . 0 0 "[ . 1 . 2]" 1
1877 1 64 MET HA 1 65 ASN HB2 . . 5.500 5.060 4.200 5.587 0.087 9 0 "[ . 1 . 2]" 1
1878 1 64 MET HA 1 65 ASN QB . . 4.700 4.546 4.056 4.636 . 0 0 "[ . 1 . 2]" 1
1879 1 64 MET HA 1 65 ASN HB3 . . 5.500 5.329 4.168 5.566 0.066 16 0 "[ . 1 . 2]" 1
1880 1 64 MET HA 1 68 ASP H . . 5.500 5.135 5.001 5.364 . 0 0 "[ . 1 . 2]" 1
1881 1 64 MET HA 1 68 ASP HB2 . . 4.240 3.080 2.916 3.411 . 0 0 "[ . 1 . 2]" 1
1882 1 64 MET HA 1 68 ASP QB . . 3.550 2.975 2.825 3.275 . 0 0 "[ . 1 . 2]" 1
1883 1 64 MET HA 1 68 ASP HB3 . . 4.240 3.934 3.782 4.224 . 0 0 "[ . 1 . 2]" 1
1884 1 64 MET HA 1 69 PHE H . . 5.500 5.482 5.241 5.510 0.010 19 0 "[ . 1 . 2]" 1
1885 1 64 MET HB2 1 64 MET ME . . 3.290 2.774 2.595 2.875 . 0 0 "[ . 1 . 2]" 1
1886 1 64 MET HB2 1 65 ASN H . . 4.120 3.941 3.714 4.132 0.012 16 0 "[ . 1 . 2]" 1
1887 1 64 MET HB2 1 68 ASP QB . . 4.120 4.117 3.982 4.129 0.009 19 0 "[ . 1 . 2]" 1
1888 1 64 MET HB2 1 69 PHE QD . . 4.160 3.571 3.308 3.956 . 0 0 "[ . 1 . 2]" 1
1889 1 64 MET HB2 1 69 PHE QE . . 3.920 2.345 2.094 2.761 . 0 0 "[ . 1 . 2]" 1
1890 1 64 MET HB2 1 69 PHE HZ . . 4.570 3.331 3.010 4.080 . 0 0 "[ . 1 . 2]" 1
1891 1 64 MET HB2 1 82 LEU QD . . 4.990 4.265 4.052 4.476 . 0 0 "[ . 1 . 2]" 1
1892 1 64 MET HB2 1 85 LEU QD . . 5.150 4.620 4.424 4.915 . 0 0 "[ . 1 . 2]" 1
1893 1 64 MET HB3 1 64 MET ME . . 3.290 2.158 2.065 2.238 . 0 0 "[ . 1 . 2]" 1
1894 1 64 MET HB3 1 65 ASN H . . 3.700 2.743 2.478 3.033 . 0 0 "[ . 1 . 2]" 1
1895 1 64 MET HB3 1 68 ASP HB2 . . 3.770 2.587 2.476 2.647 . 0 0 "[ . 1 . 2]" 1
1896 1 64 MET HB3 1 68 ASP QB . . 3.290 2.543 2.419 2.598 . 0 0 "[ . 1 . 2]" 1
1897 1 64 MET HB3 1 68 ASP HB3 . . 3.770 3.749 3.400 3.776 0.006 18 0 "[ . 1 . 2]" 1
1898 1 64 MET HB3 1 69 PHE H . . 4.210 3.997 3.762 4.128 . 0 0 "[ . 1 . 2]" 1
1899 1 64 MET HB3 1 69 PHE HA . . 4.800 4.228 4.072 4.319 . 0 0 "[ . 1 . 2]" 1
1900 1 64 MET HB3 1 69 PHE QD . . 4.160 2.980 2.682 3.316 . 0 0 "[ . 1 . 2]" 1
1901 1 64 MET HB3 1 69 PHE QE . . 4.120 3.098 2.864 3.483 . 0 0 "[ . 1 . 2]" 1
1902 1 64 MET ME 1 64 MET HG2 . . 3.520 3.370 3.368 3.373 . 0 0 "[ . 1 . 2]" 1
1903 1 64 MET ME 1 64 MET HG3 . . 3.920 2.436 2.378 2.492 . 0 0 "[ . 1 . 2]" 1
1904 1 64 MET ME 1 65 ASN H . . 4.500 4.035 3.791 4.290 . 0 0 "[ . 1 . 2]" 1
1905 1 64 MET ME 1 68 ASP HA . . 4.280 3.988 3.879 4.135 . 0 0 "[ . 1 . 2]" 1
1906 1 64 MET ME 1 68 ASP HB2 . . 3.180 2.744 2.543 3.010 . 0 0 "[ . 1 . 2]" 1
1907 1 64 MET ME 1 68 ASP HB3 . . 3.180 2.995 2.834 3.176 . 0 0 "[ . 1 . 2]" 1
1908 1 64 MET ME 1 69 PHE H . . 3.560 3.239 3.073 3.381 . 0 0 "[ . 1 . 2]" 1
1909 1 64 MET ME 1 69 PHE HA . . 3.020 2.151 2.012 2.287 . 0 0 "[ . 1 . 2]" 1
1910 1 64 MET ME 1 69 PHE HB2 . . 4.330 3.797 3.650 3.933 . 0 0 "[ . 1 . 2]" 1
1911 1 64 MET ME 1 69 PHE HB3 . . 4.550 4.116 3.980 4.331 . 0 0 "[ . 1 . 2]" 1
1912 1 64 MET ME 1 69 PHE QD . . 3.410 2.996 2.733 3.198 . 0 0 "[ . 1 . 2]" 1
1913 1 64 MET ME 1 69 PHE QE . . 3.580 3.123 2.839 3.408 . 0 0 "[ . 1 . 2]" 1
1914 1 64 MET ME 1 69 PHE HZ . . 4.280 3.568 3.351 3.951 . 0 0 "[ . 1 . 2]" 1
1915 1 64 MET ME 1 70 LEU H . . 5.000 4.697 4.586 4.780 . 0 0 "[ . 1 . 2]" 1
1916 1 64 MET ME 1 72 ALA H . . 5.080 4.876 4.780 5.000 . 0 0 "[ . 1 . 2]" 1
1917 1 64 MET ME 1 72 ALA MB . . 3.670 3.342 3.220 3.504 . 0 0 "[ . 1 . 2]" 1
1918 1 64 MET HG2 1 65 ASN H . . 4.810 4.375 4.308 4.454 . 0 0 "[ . 1 . 2]" 1
1919 1 64 MET HG2 1 68 ASP QB . . 4.260 3.776 3.629 3.990 . 0 0 "[ . 1 . 2]" 1
1920 1 64 MET HG3 1 65 ASN H . . 5.500 5.133 4.987 5.300 . 0 0 "[ . 1 . 2]" 1
1921 1 64 MET HG3 1 68 ASP QB . . 4.820 4.305 4.279 4.459 . 0 0 "[ . 1 . 2]" 1
1922 1 65 ASN H 1 65 ASN HB2 . . 3.880 3.063 2.307 3.776 . 0 0 "[ . 1 . 2]" 1
1923 1 65 ASN H 1 65 ASN QB . . 3.350 2.850 2.277 3.169 . 0 0 "[ . 1 . 2]" 1
1924 1 65 ASN H 1 65 ASN HB3 . . 3.880 3.660 2.737 3.852 . 0 0 "[ . 1 . 2]" 1
1925 1 65 ASN H 1 65 ASN HD21 . . 5.000 3.440 2.022 3.940 . 0 0 "[ . 1 . 2]" 1
1926 1 65 ASN H 1 65 ASN QD . . 4.360 3.210 2.010 3.774 . 0 0 "[ . 1 . 2]" 1
1927 1 65 ASN H 1 65 ASN HD22 . . 5.000 3.906 3.378 5.013 0.013 16 0 "[ . 1 . 2]" 1
1928 1 65 ASN H 1 67 GLU H . . 5.080 4.565 4.433 4.879 . 0 0 "[ . 1 . 2]" 1
1929 1 65 ASN H 1 68 ASP H . . 3.960 3.196 3.122 3.389 . 0 0 "[ . 1 . 2]" 1
1930 1 65 ASN H 1 68 ASP HB2 . . 3.810 2.125 1.948 2.380 . 0 0 "[ . 1 . 2]" 1
1931 1 65 ASN H 1 68 ASP QB . . 3.010 2.112 1.939 2.358 . 0 0 "[ . 1 . 2]" 1
1932 1 65 ASN H 1 68 ASP HB3 . . 3.810 3.679 3.513 3.811 0.001 17 0 "[ . 1 . 2]" 1
1933 1 65 ASN H 1 69 PHE H . . 4.510 3.743 3.527 4.046 . 0 0 "[ . 1 . 2]" 1
1934 1 65 ASN HA 1 65 ASN QD . . 4.580 4.038 3.682 4.222 . 0 0 "[ . 1 . 2]" 1
1935 1 65 ASN HA 1 65 ASN HD22 . . 5.310 4.894 4.340 5.042 . 0 0 "[ . 1 . 2]" 1
1936 1 65 ASN HA 1 66 LYS HA . . 4.710 4.306 4.300 4.314 . 0 0 "[ . 1 . 2]" 1
1937 1 65 ASN HA 1 66 LYS HB2 . . 5.100 4.731 4.689 4.797 . 0 0 "[ . 1 . 2]" 1
1938 1 65 ASN HA 1 67 GLU H . . 4.800 4.486 4.271 4.649 . 0 0 "[ . 1 . 2]" 1
1939 1 65 ASN HA 1 68 ASP H . . 5.500 4.935 4.746 5.044 . 0 0 "[ . 1 . 2]" 1
1940 1 65 ASN HA 1 69 PHE H . . 5.500 4.964 4.832 5.052 . 0 0 "[ . 1 . 2]" 1
1941 1 65 ASN HA 1 82 LEU MD1 . . 4.560 2.987 2.616 3.776 . 0 0 "[ . 1 . 2]" 1
1942 1 65 ASN HA 1 82 LEU QD . . 3.860 2.821 2.473 3.249 . 0 0 "[ . 1 . 2]" 1
1943 1 65 ASN HA 1 82 LEU MD2 . . 4.560 3.970 2.554 4.502 . 0 0 "[ . 1 . 2]" 1
1944 1 65 ASN QB 1 65 ASN QD . . 3.090 2.096 2.063 2.313 . 0 0 "[ . 1 . 2]" 1
1945 1 65 ASN QB 1 66 LYS H . . 3.410 2.225 2.048 2.288 . 0 0 "[ . 1 . 2]" 1
1946 1 65 ASN QB 1 66 LYS HA . . 4.790 4.389 4.338 4.699 . 0 0 "[ . 1 . 2]" 1
1947 1 65 ASN QB 1 66 LYS HB2 . . 4.590 4.225 3.986 4.366 . 0 0 "[ . 1 . 2]" 1
1948 1 65 ASN QB 1 66 LYS HB3 . . 4.890 3.965 3.790 4.342 . 0 0 "[ . 1 . 2]" 1
1949 1 65 ASN QB 1 67 GLU H . . 3.830 2.633 2.395 3.569 . 0 0 "[ . 1 . 2]" 1
1950 1 65 ASN QB 1 68 ASP H . . 4.440 3.170 2.801 4.125 . 0 0 "[ . 1 . 2]" 1
1951 1 65 ASN QB 1 82 LEU QD . . 4.800 4.003 3.626 4.362 . 0 0 "[ . 1 . 2]" 1
1952 1 65 ASN HB2 1 66 LYS H . . 3.910 2.759 2.070 3.739 . 0 0 "[ . 1 . 2]" 1
1953 1 65 ASN HB2 1 68 ASP H . . 5.240 3.269 2.829 4.845 . 0 0 "[ . 1 . 2]" 1
1954 1 65 ASN HB3 1 66 LYS H . . 3.910 2.601 2.280 3.703 . 0 0 "[ . 1 . 2]" 1
1955 1 65 ASN HB3 1 68 ASP H . . 5.240 4.640 3.618 4.891 . 0 0 "[ . 1 . 2]" 1
1956 1 65 ASN QD 1 66 LYS H . . 5.030 4.750 4.155 4.916 . 0 0 "[ . 1 . 2]" 1
1957 1 65 ASN QD 1 67 GLU H . . 5.100 4.337 2.944 5.003 . 0 0 "[ . 1 . 2]" 1
1958 1 65 ASN QD 1 67 GLU HB2 . . 4.870 3.879 1.941 4.879 0.009 16 0 "[ . 1 . 2]" 1
1959 1 66 LYS H 1 66 LYS HB2 . . 4.010 2.372 2.280 2.464 . 0 0 "[ . 1 . 2]" 1
1960 1 66 LYS H 1 66 LYS HB3 . . 3.590 2.687 2.584 2.798 . 0 0 "[ . 1 . 2]" 1
1961 1 66 LYS H 1 66 LYS HG2 . . 5.300 4.628 4.592 4.646 . 0 0 "[ . 1 . 2]" 1
1962 1 66 LYS H 1 66 LYS HG3 . . 5.500 4.401 4.373 4.422 . 0 0 "[ . 1 . 2]" 1
1963 1 66 LYS H 1 67 GLU H . . 3.870 2.812 2.766 2.864 . 0 0 "[ . 1 . 2]" 1
1964 1 66 LYS H 1 82 LEU QD . . 4.760 3.155 2.594 3.482 . 0 0 "[ . 1 . 2]" 1
1965 1 66 LYS HA 1 66 LYS HD2 . . 4.970 2.957 2.658 3.222 . 0 0 "[ . 1 . 2]" 1
1966 1 66 LYS HA 1 66 LYS QD . . 4.140 2.884 2.609 3.118 . 0 0 "[ . 1 . 2]" 1
1967 1 66 LYS HA 1 66 LYS HD3 . . 4.970 4.022 3.793 4.176 . 0 0 "[ . 1 . 2]" 1
1968 1 66 LYS HA 1 66 LYS HG3 . . 3.130 2.468 2.367 2.550 . 0 0 "[ . 1 . 2]" 1
1969 1 66 LYS HA 1 69 PHE H . . 4.050 3.687 3.606 3.730 . 0 0 "[ . 1 . 2]" 1
1970 1 66 LYS HA 1 69 PHE HB2 . . 3.530 2.619 2.495 2.727 . 0 0 "[ . 1 . 2]" 1
1971 1 66 LYS HA 1 69 PHE HB3 . . 4.090 3.797 3.681 3.933 . 0 0 "[ . 1 . 2]" 1
1972 1 66 LYS HA 1 69 PHE QD . . 4.010 3.522 3.199 3.782 . 0 0 "[ . 1 . 2]" 1
1973 1 66 LYS HA 1 70 LEU H . . 4.710 4.072 3.996 4.161 . 0 0 "[ . 1 . 2]" 1
1974 1 66 LYS HA 1 70 LEU QD . . 4.960 4.426 4.262 4.586 . 0 0 "[ . 1 . 2]" 1
1975 1 66 LYS HA 1 70 LEU HG . . 4.710 4.306 4.111 4.480 . 0 0 "[ . 1 . 2]" 1
1976 1 66 LYS HA 1 78 THR MG . . 3.010 2.325 2.161 2.567 . 0 0 "[ . 1 . 2]" 1
1977 1 66 LYS HA 1 82 LEU MD1 . . 3.720 3.432 1.889 3.727 0.007 19 0 "[ . 1 . 2]" 1
1978 1 66 LYS HA 1 82 LEU QD . . 2.930 2.547 1.884 2.744 . 0 0 "[ . 1 . 2]" 1
1979 1 66 LYS HA 1 82 LEU MD2 . . 3.720 2.874 2.521 3.724 0.004 12 0 "[ . 1 . 2]" 1
1980 1 66 LYS HA 1 82 LEU HG . . 4.960 3.318 2.973 4.118 . 0 0 "[ . 1 . 2]" 1
1981 1 66 LYS HB2 1 66 LYS QE . . 4.880 3.937 3.913 3.978 . 0 0 "[ . 1 . 2]" 1
1982 1 66 LYS HB2 1 69 PHE HB2 . . 5.330 5.108 5.008 5.204 . 0 0 "[ . 1 . 2]" 1
1983 1 66 LYS HB2 1 78 THR MG . . 3.820 3.604 3.421 3.822 0.002 19 0 "[ . 1 . 2]" 1
1984 1 66 LYS HB2 1 82 LEU MD1 . . 4.390 3.724 2.658 4.023 . 0 0 "[ . 1 . 2]" 1
1985 1 66 LYS HB2 1 82 LEU QD . . 3.860 3.470 2.637 3.710 . 0 0 "[ . 1 . 2]" 1
1986 1 66 LYS HB2 1 82 LEU MD2 . . 4.390 4.279 3.971 4.396 0.006 7 0 "[ . 1 . 2]" 1
1987 1 66 LYS HB3 1 67 GLU H . . 3.200 2.631 2.444 2.828 . 0 0 "[ . 1 . 2]" 1
1988 1 66 LYS HB3 1 67 GLU QG . . 4.690 4.140 3.663 4.419 . 0 0 "[ . 1 . 2]" 1
1989 1 66 LYS HB3 1 68 ASP H . . 5.500 5.360 5.228 5.448 . 0 0 "[ . 1 . 2]" 1
1990 1 66 LYS HB3 1 69 PHE H . . 5.500 5.483 5.393 5.515 0.015 19 0 "[ . 1 . 2]" 1
1991 1 66 LYS HB3 1 70 LEU QD . . 4.730 4.105 3.799 4.294 . 0 0 "[ . 1 . 2]" 1
1992 1 66 LYS HB3 1 78 THR MG . . 4.940 4.113 3.959 4.357 . 0 0 "[ . 1 . 2]" 1
1993 1 66 LYS QD 1 70 LEU QD . . 4.640 4.109 3.908 4.384 . 0 0 "[ . 1 . 2]" 1
1994 1 66 LYS QD 1 75 LEU QD . . 4.090 3.699 3.606 3.923 . 0 0 "[ . 1 . 2]" 1
1995 1 66 LYS QD 1 78 THR HB . . 5.210 3.931 3.798 4.167 . 0 0 "[ . 1 . 2]" 1
1996 1 66 LYS QD 1 78 THR MG . . 3.380 2.050 1.957 2.295 . 0 0 "[ . 1 . 2]" 1
1997 1 66 LYS QD 1 79 GLU H . . 5.340 4.947 4.629 5.262 . 0 0 "[ . 1 . 2]" 1
1998 1 66 LYS QD 1 79 GLU HA . . 5.340 3.804 3.512 4.137 . 0 0 "[ . 1 . 2]" 1
1999 1 66 LYS QD 1 79 GLU HG2 . . 4.410 3.600 3.353 4.008 . 0 0 "[ . 1 . 2]" 1
2000 1 66 LYS QD 1 82 LEU QD . . 4.310 3.225 1.921 3.643 . 0 0 "[ . 1 . 2]" 1
2001 1 66 LYS QD 1 82 LEU HG . . 4.290 3.150 2.673 4.299 0.009 6 0 "[ . 1 . 2]" 1
2002 1 66 LYS QE 1 66 LYS HG2 . . 3.210 2.439 2.236 2.842 . 0 0 "[ . 1 . 2]" 1
2003 1 66 LYS QE 1 66 LYS HG3 . . 3.340 2.375 2.243 2.503 . 0 0 "[ . 1 . 2]" 1
2004 1 66 LYS QE 1 70 LEU QD . . 3.360 2.918 2.415 3.332 . 0 0 "[ . 1 . 2]" 1
2005 1 66 LYS QE 1 70 LEU HG . . 4.800 3.530 3.115 3.833 . 0 0 "[ . 1 . 2]" 1
2006 1 66 LYS QE 1 75 LEU QD . . 2.910 2.005 1.862 2.247 . 0 0 "[ . 1 . 2]" 1
2007 1 66 LYS QE 1 78 THR MG . . 3.550 2.297 1.961 2.600 . 0 0 "[ . 1 . 2]" 1
2008 1 66 LYS QE 1 79 GLU HA . . 4.080 3.423 2.799 3.969 . 0 0 "[ . 1 . 2]" 1
2009 1 66 LYS QE 1 79 GLU HG2 . . 3.910 2.352 2.000 2.818 . 0 0 "[ . 1 . 2]" 1
2010 1 66 LYS QE 1 79 GLU HG3 . . 4.890 3.209 2.608 3.968 . 0 0 "[ . 1 . 2]" 1
2011 1 66 LYS QE 1 82 LEU QD . . 4.710 4.285 3.147 4.676 . 0 0 "[ . 1 . 2]" 1
2012 1 66 LYS HE2 1 78 THR MG . . 4.040 2.898 2.405 3.235 . 0 0 "[ . 1 . 2]" 1
2013 1 66 LYS HE3 1 78 THR MG . . 4.040 2.475 1.982 3.258 . 0 0 "[ . 1 . 2]" 1
2014 1 66 LYS HG2 1 67 GLU H . . 4.990 4.369 4.199 4.627 . 0 0 "[ . 1 . 2]" 1
2015 1 66 LYS HG2 1 67 GLU HA . . 5.330 4.640 4.418 5.007 . 0 0 "[ . 1 . 2]" 1
2016 1 66 LYS HG2 1 67 GLU QG . . 5.340 4.820 4.509 5.214 . 0 0 "[ . 1 . 2]" 1
2017 1 66 LYS HG2 1 70 LEU QD . . 3.670 2.993 2.674 3.410 . 0 0 "[ . 1 . 2]" 1
2018 1 66 LYS HG3 1 67 GLU H . . 5.320 4.242 4.070 4.386 . 0 0 "[ . 1 . 2]" 1
2019 1 66 LYS HG3 1 67 GLU HA . . 5.500 4.368 4.168 4.594 . 0 0 "[ . 1 . 2]" 1
2020 1 66 LYS HG3 1 67 GLU QG . . 5.340 5.258 5.077 5.341 0.001 14 0 "[ . 1 . 2]" 1
2021 1 66 LYS HG3 1 69 PHE HB2 . . 4.910 4.382 4.252 4.556 . 0 0 "[ . 1 . 2]" 1
2022 1 66 LYS HG3 1 70 LEU H . . 5.500 4.334 4.187 4.477 . 0 0 "[ . 1 . 2]" 1
2023 1 66 LYS HG3 1 70 LEU QD . . 3.870 2.864 2.746 3.109 . 0 0 "[ . 1 . 2]" 1
2024 1 66 LYS HG3 1 70 LEU HG . . 3.940 2.818 2.696 3.001 . 0 0 "[ . 1 . 2]" 1
2025 1 66 LYS HG3 1 78 THR HB . . 4.800 3.927 3.595 4.360 . 0 0 "[ . 1 . 2]" 1
2026 1 66 LYS HG3 1 78 THR MG . . 3.250 2.072 1.884 2.344 . 0 0 "[ . 1 . 2]" 1
2027 1 66 LYS HG3 1 82 LEU QD . . 4.590 4.112 3.316 4.431 . 0 0 "[ . 1 . 2]" 1
2028 1 67 GLU H 1 67 GLU HB2 . . 3.010 2.107 2.069 2.215 . 0 0 "[ . 1 . 2]" 1
2029 1 67 GLU H 1 67 GLU HB3 . . 3.520 3.384 3.297 3.512 . 0 0 "[ . 1 . 2]" 1
2030 1 67 GLU H 1 67 GLU HG2 . . 4.090 3.621 3.011 4.090 . 0 0 "[ . 1 . 2]" 1
2031 1 67 GLU H 1 67 GLU QG . . 3.420 3.169 2.853 3.351 . 0 0 "[ . 1 . 2]" 1
2032 1 67 GLU H 1 67 GLU HG3 . . 4.090 3.622 3.050 4.023 . 0 0 "[ . 1 . 2]" 1
2033 1 67 GLU H 1 68 ASP H . . 3.180 2.813 2.655 2.934 . 0 0 "[ . 1 . 2]" 1
2034 1 67 GLU H 1 68 ASP QB . . 5.200 4.862 4.754 4.999 . 0 0 "[ . 1 . 2]" 1
2035 1 67 GLU H 1 69 PHE HB2 . . 5.280 4.709 4.603 4.862 . 0 0 "[ . 1 . 2]" 1
2036 1 67 GLU H 1 70 LEU QD . . 4.760 4.558 4.299 4.701 . 0 0 "[ . 1 . 2]" 1
2037 1 67 GLU HA 1 67 GLU HB3 . . 2.920 2.765 2.644 2.828 . 0 0 "[ . 1 . 2]" 1
2038 1 67 GLU HA 1 67 GLU HG2 . . 3.620 2.179 2.023 2.507 . 0 0 "[ . 1 . 2]" 1
2039 1 67 GLU HA 1 67 GLU QG . . 3.130 2.146 2.003 2.463 . 0 0 "[ . 1 . 2]" 1
2040 1 67 GLU HA 1 67 GLU HG3 . . 3.620 3.310 2.812 3.614 . 0 0 "[ . 1 . 2]" 1
2041 1 67 GLU HA 1 68 ASP HA . . 4.910 4.799 4.771 4.812 . 0 0 "[ . 1 . 2]" 1
2042 1 67 GLU HA 1 70 LEU H . . 3.590 3.318 3.251 3.465 . 0 0 "[ . 1 . 2]" 1
2043 1 67 GLU HA 1 70 LEU HA . . 5.500 5.334 5.197 5.478 . 0 0 "[ . 1 . 2]" 1
2044 1 67 GLU HA 1 70 LEU HB2 . . 3.170 2.503 2.359 2.665 . 0 0 "[ . 1 . 2]" 1
2045 1 67 GLU HA 1 70 LEU HB3 . . 4.190 3.969 3.842 4.172 . 0 0 "[ . 1 . 2]" 1
2046 1 67 GLU HA 1 70 LEU QD . . 3.030 2.993 2.823 3.034 0.004 18 0 "[ . 1 . 2]" 1
2047 1 67 GLU HA 1 70 LEU HG . . 4.380 4.264 3.986 4.384 0.004 2 0 "[ . 1 . 2]" 1
2048 1 67 GLU HA 1 71 ARG H . . 5.040 4.594 4.465 4.792 . 0 0 "[ . 1 . 2]" 1
2049 1 67 GLU HB2 1 68 ASP H . . 3.850 2.700 2.443 2.850 . 0 0 "[ . 1 . 2]" 1
2050 1 67 GLU HB2 1 70 LEU QD . . 5.250 5.210 5.012 5.255 0.005 16 0 "[ . 1 . 2]" 1
2051 1 67 GLU HB3 1 68 ASP H . . 3.900 2.652 2.455 3.007 . 0 0 "[ . 1 . 2]" 1
2052 1 67 GLU HB3 1 70 LEU QD . . 5.440 5.232 4.970 5.370 . 0 0 "[ . 1 . 2]" 1
2053 1 67 GLU HB3 1 71 ARG HD2 . . 5.470 4.854 4.653 5.018 . 0 0 "[ . 1 . 2]" 1
2054 1 67 GLU QG 1 70 LEU QD . . 4.210 3.620 3.417 3.746 . 0 0 "[ . 1 . 2]" 1
2055 1 67 GLU HG2 1 68 ASP H . . 5.000 4.745 4.635 4.866 . 0 0 "[ . 1 . 2]" 1
2056 1 67 GLU HG3 1 68 ASP H . . 5.000 4.772 4.647 4.879 . 0 0 "[ . 1 . 2]" 1
2057 1 68 ASP H 1 68 ASP HB2 . . 4.160 2.732 2.667 2.769 . 0 0 "[ . 1 . 2]" 1
2058 1 68 ASP H 1 68 ASP QB . . 3.300 2.650 2.599 2.679 . 0 0 "[ . 1 . 2]" 1
2059 1 68 ASP H 1 68 ASP HB3 . . 4.160 3.573 3.566 3.585 . 0 0 "[ . 1 . 2]" 1
2060 1 68 ASP H 1 69 PHE HB2 . . 5.500 4.633 4.506 4.699 . 0 0 "[ . 1 . 2]" 1
2061 1 68 ASP H 1 70 LEU HB2 . . 5.500 5.094 4.979 5.176 . 0 0 "[ . 1 . 2]" 1
2062 1 68 ASP H 1 71 ARG HG3 . . 4.650 4.588 4.340 4.651 0.001 13 0 "[ . 1 . 2]" 1
2063 1 68 ASP HA 1 69 PHE HA . . 5.040 4.707 4.679 4.774 . 0 0 "[ . 1 . 2]" 1
2064 1 68 ASP HA 1 70 LEU H . . 4.600 4.374 4.262 4.451 . 0 0 "[ . 1 . 2]" 1
2065 1 68 ASP HA 1 71 ARG H . . 4.050 3.660 3.500 3.746 . 0 0 "[ . 1 . 2]" 1
2066 1 68 ASP HA 1 71 ARG HB2 . . 4.160 3.151 2.843 3.530 . 0 0 "[ . 1 . 2]" 1
2067 1 68 ASP HA 1 71 ARG HD2 . . 4.360 3.218 3.104 3.302 . 0 0 "[ . 1 . 2]" 1
2068 1 68 ASP HA 1 71 ARG HG2 . . 4.910 4.576 3.986 4.745 . 0 0 "[ . 1 . 2]" 1
2069 1 68 ASP HA 1 71 ARG HG3 . . 4.000 2.864 2.268 3.082 . 0 0 "[ . 1 . 2]" 1
2070 1 68 ASP QB 1 69 PHE H . . 3.270 2.800 2.567 2.931 . 0 0 "[ . 1 . 2]" 1
2071 1 68 ASP QB 1 69 PHE HA . . 4.530 3.931 3.847 3.974 . 0 0 "[ . 1 . 2]" 1
2072 1 68 ASP QB 1 69 PHE QD . . 4.600 3.987 3.849 4.201 . 0 0 "[ . 1 . 2]" 1
2073 1 68 ASP QB 1 71 ARG HB2 . . 4.910 4.514 4.205 4.685 . 0 0 "[ . 1 . 2]" 1
2074 1 68 ASP QB 1 71 ARG HD2 . . 4.880 4.850 4.744 4.881 0.001 16 0 "[ . 1 . 2]" 1
2075 1 69 PHE H 1 69 PHE HB2 . . 2.970 2.150 2.099 2.178 . 0 0 "[ . 1 . 2]" 1
2076 1 69 PHE H 1 69 PHE HB3 . . 3.600 3.437 3.393 3.465 . 0 0 "[ . 1 . 2]" 1
2077 1 69 PHE H 1 69 PHE QD . . 3.490 3.287 3.187 3.412 . 0 0 "[ . 1 . 2]" 1
2078 1 69 PHE H 1 70 LEU H . . 3.190 2.424 2.343 2.617 . 0 0 "[ . 1 . 2]" 1
2079 1 69 PHE H 1 70 LEU HA . . 5.500 5.074 4.999 5.240 . 0 0 "[ . 1 . 2]" 1
2080 1 69 PHE H 1 70 LEU HB2 . . 5.500 4.258 4.178 4.488 . 0 0 "[ . 1 . 2]" 1
2081 1 69 PHE H 1 70 LEU QD . . 5.440 5.037 4.933 5.153 . 0 0 "[ . 1 . 2]" 1
2082 1 69 PHE H 1 70 LEU HG . . 5.500 5.181 5.014 5.290 . 0 0 "[ . 1 . 2]" 1
2083 1 69 PHE H 1 71 ARG H . . 4.390 3.836 3.773 3.931 . 0 0 "[ . 1 . 2]" 1
2084 1 69 PHE H 1 71 ARG HB2 . . 5.500 5.172 5.040 5.468 . 0 0 "[ . 1 . 2]" 1
2085 1 69 PHE H 1 78 THR MG . . 4.090 4.019 3.756 4.098 0.008 17 0 "[ . 1 . 2]" 1
2086 1 69 PHE H 1 82 LEU QD . . 4.820 4.240 4.155 4.311 . 0 0 "[ . 1 . 2]" 1
2087 1 69 PHE HA 1 69 PHE QD . . 3.670 2.561 2.343 2.695 . 0 0 "[ . 1 . 2]" 1
2088 1 69 PHE HA 1 69 PHE QE . . 5.040 4.314 4.247 4.342 . 0 0 "[ . 1 . 2]" 1
2089 1 69 PHE HA 1 70 LEU HB2 . . 5.500 5.565 5.554 5.596 0.096 17 0 "[ . 1 . 2]" 1
2090 1 69 PHE HA 1 71 ARG H . . 4.140 3.790 3.749 3.825 . 0 0 "[ . 1 . 2]" 1
2091 1 69 PHE HA 1 72 ALA H . . 3.890 3.860 3.821 3.893 0.003 17 0 "[ . 1 . 2]" 1
2092 1 69 PHE HA 1 72 ALA MB . . 3.480 3.336 3.247 3.400 . 0 0 "[ . 1 . 2]" 1
2093 1 69 PHE HA 1 73 THR H . . 4.460 3.994 3.973 4.007 . 0 0 "[ . 1 . 2]" 1
2094 1 69 PHE HA 1 73 THR MG . . 4.200 3.700 3.642 3.758 . 0 0 "[ . 1 . 2]" 1
2095 1 69 PHE HA 1 78 THR MG . . 4.710 4.473 4.183 4.598 . 0 0 "[ . 1 . 2]" 1
2096 1 69 PHE HB2 1 70 LEU H . . 3.560 3.023 2.965 3.122 . 0 0 "[ . 1 . 2]" 1
2097 1 69 PHE HB2 1 70 LEU HA . . 5.390 4.844 4.792 4.950 . 0 0 "[ . 1 . 2]" 1
2098 1 69 PHE HB2 1 70 LEU MD1 . . 5.500 5.498 5.456 5.508 0.008 17 0 "[ . 1 . 2]" 1
2099 1 69 PHE HB2 1 70 LEU MD2 . . 5.500 5.509 5.501 5.515 0.015 17 0 "[ . 1 . 2]" 1
2100 1 69 PHE HB2 1 70 LEU HG . . 4.910 4.681 4.651 4.700 . 0 0 "[ . 1 . 2]" 1
2101 1 69 PHE HB2 1 71 ARG H . . 5.310 5.010 4.972 5.092 . 0 0 "[ . 1 . 2]" 1
2102 1 69 PHE HB2 1 73 THR MG . . 4.490 4.207 4.132 4.316 . 0 0 "[ . 1 . 2]" 1
2103 1 69 PHE HB2 1 78 THR HA . . 4.900 4.552 4.362 4.771 . 0 0 "[ . 1 . 2]" 1
2104 1 69 PHE HB2 1 78 THR HB . . 5.500 5.399 5.055 5.502 0.002 19 0 "[ . 1 . 2]" 1
2105 1 69 PHE HB2 1 78 THR MG . . 2.970 2.544 2.253 2.686 . 0 0 "[ . 1 . 2]" 1
2106 1 69 PHE HB2 1 82 LEU MD1 . . 5.210 4.221 2.892 4.504 . 0 0 "[ . 1 . 2]" 1
2107 1 69 PHE HB2 1 82 LEU QD . . 4.090 2.663 2.568 2.930 . 0 0 "[ . 1 . 2]" 1
2108 1 69 PHE HB2 1 82 LEU MD2 . . 5.210 2.838 2.586 3.965 . 0 0 "[ . 1 . 2]" 1
2109 1 69 PHE HB3 1 70 LEU H . . 3.890 3.353 3.185 3.416 . 0 0 "[ . 1 . 2]" 1
2110 1 69 PHE HB3 1 70 LEU HA . . 4.810 4.046 3.964 4.085 . 0 0 "[ . 1 . 2]" 1
2111 1 69 PHE HB3 1 70 LEU QD . . 5.050 4.595 4.410 4.675 . 0 0 "[ . 1 . 2]" 1
2112 1 69 PHE HB3 1 72 ALA MB . . 5.100 4.946 4.851 5.089 . 0 0 "[ . 1 . 2]" 1
2113 1 69 PHE HB3 1 73 THR MG . . 3.830 2.774 2.697 2.896 . 0 0 "[ . 1 . 2]" 1
2114 1 69 PHE HB3 1 78 THR HA . . 4.060 3.215 3.019 3.349 . 0 0 "[ . 1 . 2]" 1
2115 1 69 PHE HB3 1 78 THR HB . . 5.270 4.571 4.200 4.709 . 0 0 "[ . 1 . 2]" 1
2116 1 69 PHE HB3 1 78 THR MG . . 3.150 2.225 1.917 2.500 . 0 0 "[ . 1 . 2]" 1
2117 1 69 PHE HB3 1 82 LEU QD . . 4.530 3.056 2.970 3.534 . 0 0 "[ . 1 . 2]" 1
2118 1 69 PHE HB3 1 82 LEU HG . . 5.230 5.048 4.011 5.237 0.007 18 0 "[ . 1 . 2]" 1
2119 1 69 PHE QD 1 72 ALA MB . . 4.710 3.823 3.641 3.980 . 0 0 "[ . 1 . 2]" 1
2120 1 69 PHE QD 1 73 THR MG . . 3.710 2.577 2.122 2.846 . 0 0 "[ . 1 . 2]" 1
2121 1 69 PHE QD 1 78 THR HA . . 4.380 4.178 3.721 4.337 . 0 0 "[ . 1 . 2]" 1
2122 1 69 PHE QD 1 78 THR MG . . 3.830 3.597 3.266 3.771 . 0 0 "[ . 1 . 2]" 1
2123 1 69 PHE QD 1 81 LEU HB2 . . 4.710 4.258 4.007 4.393 . 0 0 "[ . 1 . 2]" 1
2124 1 69 PHE QD 1 81 LEU HB3 . . 5.070 4.609 4.442 4.792 . 0 0 "[ . 1 . 2]" 1
2125 1 69 PHE QD 1 81 LEU QD . . 3.830 2.744 2.430 3.211 . 0 0 "[ . 1 . 2]" 1
2126 1 69 PHE QD 1 82 LEU MD1 . . 4.070 3.139 2.467 3.382 . 0 0 "[ . 1 . 2]" 1
2127 1 69 PHE QD 1 82 LEU QD . . 3.300 2.246 1.982 2.382 . 0 0 "[ . 1 . 2]" 1
2128 1 69 PHE QD 1 82 LEU MD2 . . 4.070 2.302 2.089 2.434 . 0 0 "[ . 1 . 2]" 1
2129 1 69 PHE QD 1 82 LEU HG . . 4.800 4.059 2.663 4.441 . 0 0 "[ . 1 . 2]" 1
2130 1 69 PHE QE 1 73 THR MG . . 4.670 4.263 3.739 4.450 . 0 0 "[ . 1 . 2]" 1
2131 1 69 PHE QE 1 78 THR MG . . 5.220 5.025 4.669 5.221 0.001 14 0 "[ . 1 . 2]" 1
2132 1 69 PHE QE 1 81 LEU HB2 . . 4.710 4.230 3.619 4.441 . 0 0 "[ . 1 . 2]" 1
2133 1 69 PHE QE 1 81 LEU HB3 . . 4.800 3.696 3.200 3.902 . 0 0 "[ . 1 . 2]" 1
2134 1 69 PHE QE 1 81 LEU QD . . 4.000 2.625 1.997 2.989 . 0 0 "[ . 1 . 2]" 1
2135 1 69 PHE QE 1 82 LEU HA . . 4.800 4.489 3.783 4.730 . 0 0 "[ . 1 . 2]" 1
2136 1 69 PHE QE 1 82 LEU MD1 . . 4.580 3.384 3.171 4.055 . 0 0 "[ . 1 . 2]" 1
2137 1 69 PHE QE 1 82 LEU QD . . 3.300 2.561 1.962 2.773 . 0 0 "[ . 1 . 2]" 1
2138 1 69 PHE QE 1 82 LEU MD2 . . 4.580 2.690 1.968 2.908 . 0 0 "[ . 1 . 2]" 1
2139 1 69 PHE QE 1 85 LEU MD1 . . 4.560 4.199 4.104 4.556 . 0 0 "[ . 1 . 2]" 1
2140 1 69 PHE QE 1 85 LEU MD2 . . 4.560 3.989 3.748 4.271 . 0 0 "[ . 1 . 2]" 1
2141 1 69 PHE HZ 1 81 LEU HB3 . . 5.350 4.169 3.478 4.346 . 0 0 "[ . 1 . 2]" 1
2142 1 69 PHE HZ 1 81 LEU QD . . 5.440 4.080 3.573 4.361 . 0 0 "[ . 1 . 2]" 1
2143 1 69 PHE HZ 1 82 LEU MD1 . . 5.500 4.984 4.732 5.524 0.024 6 0 "[ . 1 . 2]" 1
2144 1 69 PHE HZ 1 82 LEU QD . . 4.690 3.723 3.620 3.869 . 0 0 "[ . 1 . 2]" 1
2145 1 69 PHE HZ 1 82 LEU MD2 . . 5.500 3.852 3.671 4.005 . 0 0 "[ . 1 . 2]" 1
2146 1 69 PHE HZ 1 85 LEU MD1 . . 4.010 3.448 3.258 3.816 . 0 0 "[ . 1 . 2]" 1
2147 1 69 PHE HZ 1 85 LEU MD2 . . 4.010 3.873 3.502 4.018 0.008 16 0 "[ . 1 . 2]" 1
2148 1 70 LEU H 1 70 LEU HB2 . . 2.980 2.113 2.099 2.136 . 0 0 "[ . 1 . 2]" 1
2149 1 70 LEU H 1 70 LEU HB3 . . 3.550 3.429 3.410 3.456 . 0 0 "[ . 1 . 2]" 1
2150 1 70 LEU H 1 70 LEU MD1 . . 4.190 3.851 3.813 3.878 . 0 0 "[ . 1 . 2]" 1
2151 1 70 LEU H 1 70 LEU MD2 . . 4.190 4.008 3.961 4.038 . 0 0 "[ . 1 . 2]" 1
2152 1 70 LEU H 1 70 LEU HG . . 3.330 3.175 3.085 3.232 . 0 0 "[ . 1 . 2]" 1
2153 1 70 LEU H 1 71 ARG H . . 3.300 2.541 2.526 2.551 . 0 0 "[ . 1 . 2]" 1
2154 1 70 LEU H 1 71 ARG HB2 . . 5.040 4.760 4.666 5.000 . 0 0 "[ . 1 . 2]" 1
2155 1 70 LEU H 1 72 ALA H . . 4.750 4.144 4.122 4.166 . 0 0 "[ . 1 . 2]" 1
2156 1 70 LEU H 1 78 THR MG . . 4.090 3.341 3.104 3.473 . 0 0 "[ . 1 . 2]" 1
2157 1 70 LEU HA 1 70 LEU MD1 . . 4.060 3.797 3.791 3.804 . 0 0 "[ . 1 . 2]" 1
2158 1 70 LEU HA 1 70 LEU QD . . 2.670 2.092 2.049 2.167 . 0 0 "[ . 1 . 2]" 1
2159 1 70 LEU HA 1 70 LEU MD2 . . 4.060 2.102 2.057 2.179 . 0 0 "[ . 1 . 2]" 1
2160 1 70 LEU HA 1 70 LEU HG . . 3.880 2.716 2.700 2.749 . 0 0 "[ . 1 . 2]" 1
2161 1 70 LEU HA 1 72 ALA H . . 4.070 3.416 3.403 3.430 . 0 0 "[ . 1 . 2]" 1
2162 1 70 LEU HA 1 73 THR H . . 3.370 3.269 3.256 3.286 . 0 0 "[ . 1 . 2]" 1
2163 1 70 LEU HA 1 73 THR MG . . 5.040 2.949 2.863 3.130 . 0 0 "[ . 1 . 2]" 1
2164 1 70 LEU HB2 1 70 LEU QD . . 2.920 2.272 2.202 2.317 . 0 0 "[ . 1 . 2]" 1
2165 1 70 LEU HB2 1 71 ARG H . . 4.330 3.319 3.270 3.346 . 0 0 "[ . 1 . 2]" 1
2166 1 70 LEU HB2 1 78 THR MG . . 4.800 3.938 3.770 4.274 . 0 0 "[ . 1 . 2]" 1
2167 1 70 LEU HB3 1 70 LEU MD1 . . 3.130 2.371 2.311 2.439 . 0 0 "[ . 1 . 2]" 1
2168 1 70 LEU HB3 1 70 LEU QD . . 2.720 2.066 2.038 2.098 . 0 0 "[ . 1 . 2]" 1
2169 1 70 LEU HB3 1 70 LEU MD2 . . 3.130 2.276 2.254 2.298 . 0 0 "[ . 1 . 2]" 1
2170 1 70 LEU HB3 1 71 ARG H . . 4.630 3.653 3.625 3.705 . 0 0 "[ . 1 . 2]" 1
2171 1 70 LEU HB3 1 73 THR H . . 5.500 5.529 5.521 5.543 0.043 12 0 "[ . 1 . 2]" 1
2172 1 70 LEU QD 1 71 ARG H . . 4.510 4.344 4.332 4.358 . 0 0 "[ . 1 . 2]" 1
2173 1 70 LEU QD 1 71 ARG HA . . 5.290 4.817 4.775 4.884 . 0 0 "[ . 1 . 2]" 1
2174 1 70 LEU QD 1 73 THR H . . 4.800 4.460 4.408 4.517 . 0 0 "[ . 1 . 2]" 1
2175 1 70 LEU QD 1 73 THR MG . . 3.790 3.472 3.384 3.647 . 0 0 "[ . 1 . 2]" 1
2176 1 70 LEU QD 1 74 THR H . . 5.050 4.701 4.644 4.828 . 0 0 "[ . 1 . 2]" 1
2177 1 70 LEU QD 1 74 THR HA . . 3.700 3.126 3.047 3.266 . 0 0 "[ . 1 . 2]" 1
2178 1 70 LEU QD 1 75 LEU H . . 4.030 2.731 2.513 2.838 . 0 0 "[ . 1 . 2]" 1
2179 1 70 LEU QD 1 75 LEU HA . . 2.770 1.909 1.882 1.980 . 0 0 "[ . 1 . 2]" 1
2180 1 70 LEU QD 1 75 LEU HB2 . . 3.690 2.055 1.953 2.116 . 0 0 "[ . 1 . 2]" 1
2181 1 70 LEU QD 1 75 LEU HB3 . . 3.900 3.333 3.223 3.406 . 0 0 "[ . 1 . 2]" 1
2182 1 70 LEU QD 1 76 TYR H . . 4.660 4.371 4.283 4.442 . 0 0 "[ . 1 . 2]" 1
2183 1 70 LEU QD 1 77 ASN HB2 . . 5.440 5.241 5.159 5.396 . 0 0 "[ . 1 . 2]" 1
2184 1 70 LEU QD 1 78 THR H . . 4.200 3.969 3.902 4.110 . 0 0 "[ . 1 . 2]" 1
2185 1 70 LEU QD 1 78 THR HB . . 4.310 3.168 3.045 3.320 . 0 0 "[ . 1 . 2]" 1
2186 1 70 LEU MD1 1 71 ARG H . . 5.460 5.070 5.036 5.095 . 0 0 "[ . 1 . 2]" 1
2187 1 70 LEU MD2 1 71 ARG H . . 5.460 4.724 4.702 4.750 . 0 0 "[ . 1 . 2]" 1
2188 1 70 LEU HG 1 75 LEU QD . . 4.640 3.488 3.155 3.638 . 0 0 "[ . 1 . 2]" 1
2189 1 70 LEU HG 1 78 THR MG . . 3.360 2.391 2.181 2.796 . 0 0 "[ . 1 . 2]" 1
2190 1 70 LEU HG 1 82 LEU QD . . 5.290 5.246 4.933 5.302 0.012 1 0 "[ . 1 . 2]" 1
2191 1 71 ARG H 1 71 ARG HB2 . . 2.850 2.443 2.362 2.641 . 0 0 "[ . 1 . 2]" 1
2192 1 71 ARG H 1 71 ARG HD2 . . 4.710 4.570 4.493 4.636 . 0 0 "[ . 1 . 2]" 1
2193 1 71 ARG H 1 71 ARG HD3 . . 5.000 4.911 4.723 5.000 . 0 0 "[ . 1 . 2]" 1
2194 1 71 ARG H 1 71 ARG HG2 . . 3.490 3.316 2.722 3.492 0.002 10 0 "[ . 1 . 2]" 1
2195 1 71 ARG H 1 71 ARG HG3 . . 3.140 2.608 2.472 2.722 . 0 0 "[ . 1 . 2]" 1
2196 1 71 ARG H 1 72 ALA H . . 2.920 2.527 2.525 2.530 . 0 0 "[ . 1 . 2]" 1
2197 1 71 ARG H 1 72 ALA MB . . 4.160 4.072 4.055 4.081 . 0 0 "[ . 1 . 2]" 1
2198 1 71 ARG H 1 73 THR H . . 4.050 4.010 3.995 4.023 . 0 0 "[ . 1 . 2]" 1
2199 1 71 ARG HA 1 71 ARG HB3 . . 2.830 2.485 2.384 2.533 . 0 0 "[ . 1 . 2]" 1
2200 1 71 ARG HA 1 71 ARG HD3 . . 4.200 3.982 3.810 4.040 . 0 0 "[ . 1 . 2]" 1
2201 1 71 ARG HA 1 71 ARG HG2 . . 3.130 2.399 2.332 2.569 . 0 0 "[ . 1 . 2]" 1
2202 1 71 ARG HA 1 71 ARG HG3 . . 3.640 3.346 3.256 3.634 . 0 0 "[ . 1 . 2]" 1
2203 1 71 ARG HA 1 72 ALA H . . 3.520 3.237 3.227 3.247 . 0 0 "[ . 1 . 2]" 1
2204 1 71 ARG HA 1 73 THR H . . 5.000 4.888 4.862 4.903 . 0 0 "[ . 1 . 2]" 1
2205 1 71 ARG HB2 1 71 ARG HG3 . . 2.680 2.306 2.253 2.323 . 0 0 "[ . 1 . 2]" 1
2206 1 71 ARG HB2 1 72 ALA H . . 3.740 3.605 3.591 3.628 . 0 0 "[ . 1 . 2]" 1
2207 1 71 ARG HB2 1 72 ALA HA . . 5.110 4.876 4.700 4.962 . 0 0 "[ . 1 . 2]" 1
2208 1 71 ARG HB2 1 72 ALA MB . . 4.090 3.849 3.737 3.899 . 0 0 "[ . 1 . 2]" 1
2209 1 71 ARG HB2 1 73 THR H . . 5.500 5.424 5.403 5.449 . 0 0 "[ . 1 . 2]" 1
2210 1 71 ARG HB3 1 71 ARG HD3 . . 3.310 2.165 2.010 2.234 . 0 0 "[ . 1 . 2]" 1
2211 1 71 ARG HB3 1 71 ARG HG2 . . 2.740 2.605 2.579 2.691 . 0 0 "[ . 1 . 2]" 1
2212 1 71 ARG HB3 1 72 ALA HA . . 5.500 4.816 4.733 5.009 . 0 0 "[ . 1 . 2]" 1
2213 1 71 ARG HG2 1 72 ALA H . . 5.140 4.995 4.701 5.067 . 0 0 "[ . 1 . 2]" 1
2214 1 71 ARG HG3 1 72 ALA H . . 4.910 4.832 4.708 4.914 0.004 19 0 "[ . 1 . 2]" 1
2215 1 72 ALA H 1 72 ALA MB . . 2.920 2.588 2.578 2.600 . 0 0 "[ . 1 . 2]" 1
2216 1 72 ALA H 1 73 THR H . . 2.720 1.881 1.875 1.887 . 0 0 "[ . 1 . 2]" 1
2217 1 72 ALA H 1 73 THR HA . . 4.800 4.503 4.486 4.515 . 0 0 "[ . 1 . 2]" 1
2218 1 72 ALA H 1 73 THR HB . . 4.910 4.758 4.735 4.797 . 0 0 "[ . 1 . 2]" 1
2219 1 72 ALA H 1 73 THR MG . . 3.830 3.706 3.680 3.757 . 0 0 "[ . 1 . 2]" 1
2220 1 72 ALA MB 1 73 THR H . . 3.280 2.581 2.574 2.589 . 0 0 "[ . 1 . 2]" 1
2221 1 72 ALA MB 1 73 THR HA . . 4.800 4.088 4.060 4.126 . 0 0 "[ . 1 . 2]" 1
2222 1 72 ALA MB 1 73 THR HB . . 4.030 3.439 3.407 3.464 . 0 0 "[ . 1 . 2]" 1
2223 1 72 ALA MB 1 73 THR MG . . 3.840 3.600 3.533 3.643 . 0 0 "[ . 1 . 2]" 1
2224 1 73 THR H 1 73 THR HB . . 3.720 2.983 2.951 3.039 . 0 0 "[ . 1 . 2]" 1
2225 1 73 THR H 1 73 THR HG1 . . 4.860 4.451 4.415 4.513 . 0 0 "[ . 1 . 2]" 1
2226 1 73 THR H 1 73 THR MG . . 3.110 2.281 2.267 2.303 . 0 0 "[ . 1 . 2]" 1
2227 1 73 THR H 1 78 THR HG1 . . 4.940 4.410 4.279 4.571 . 0 0 "[ . 1 . 2]" 1
2228 1 73 THR HA 1 73 THR MG . . 3.660 3.183 3.182 3.184 . 0 0 "[ . 1 . 2]" 1
2229 1 73 THR HA 1 74 THR H . . 3.170 2.329 2.325 2.334 . 0 0 "[ . 1 . 2]" 1
2230 1 73 THR HA 1 74 THR MG . . 4.390 4.097 4.045 4.162 . 0 0 "[ . 1 . 2]" 1
2231 1 73 THR HA 1 77 ASN HD21 . . 4.930 3.999 3.862 4.173 . 0 0 "[ . 1 . 2]" 1
2232 1 73 THR HB 1 74 THR H . . 4.060 3.964 3.957 3.972 . 0 0 "[ . 1 . 2]" 1
2233 1 73 THR HB 1 77 ASN HB2 . . 4.910 4.135 4.074 4.162 . 0 0 "[ . 1 . 2]" 1
2234 1 73 THR HB 1 77 ASN HD21 . . 4.560 4.286 4.213 4.395 . 0 0 "[ . 1 . 2]" 1
2235 1 73 THR HB 1 81 LEU QD . . 4.870 3.201 3.082 3.317 . 0 0 "[ . 1 . 2]" 1
2236 1 73 THR HG1 1 74 THR H . . 3.090 2.297 2.145 2.552 . 0 0 "[ . 1 . 2]" 1
2237 1 73 THR HG1 1 74 THR MG . . 4.000 3.202 2.999 3.361 . 0 0 "[ . 1 . 2]" 1
2238 1 73 THR HG1 1 77 ASN HB2 . . 5.040 2.780 2.696 2.892 . 0 0 "[ . 1 . 2]" 1
2239 1 73 THR HG1 1 77 ASN HB3 . . 5.040 3.303 3.220 3.522 . 0 0 "[ . 1 . 2]" 1
2240 1 73 THR HG1 1 77 ASN HD21 . . 3.770 2.022 1.949 2.180 . 0 0 "[ . 1 . 2]" 1
2241 1 73 THR HG1 1 77 ASN HD22 . . 3.870 3.701 3.620 3.869 . 0 0 "[ . 1 . 2]" 1
2242 1 73 THR MG 1 74 THR H . . 3.500 3.374 3.349 3.395 . 0 0 "[ . 1 . 2]" 1
2243 1 73 THR MG 1 75 LEU HA . . 4.880 4.413 4.390 4.426 . 0 0 "[ . 1 . 2]" 1
2244 1 73 THR MG 1 77 ASN H . . 4.900 4.097 4.015 4.172 . 0 0 "[ . 1 . 2]" 1
2245 1 73 THR MG 1 77 ASN HA . . 4.710 4.424 4.340 4.491 . 0 0 "[ . 1 . 2]" 1
2246 1 73 THR MG 1 77 ASN HB2 . . 3.090 2.482 2.357 2.554 . 0 0 "[ . 1 . 2]" 1
2247 1 73 THR MG 1 77 ASN HB3 . . 3.280 3.042 2.964 3.132 . 0 0 "[ . 1 . 2]" 1
2248 1 73 THR MG 1 77 ASN HD21 . . 4.140 3.990 3.880 4.047 . 0 0 "[ . 1 . 2]" 1
2249 1 73 THR MG 1 78 THR H . . 3.540 2.651 2.619 2.699 . 0 0 "[ . 1 . 2]" 1
2250 1 73 THR MG 1 78 THR HA . . 3.690 2.483 2.438 2.529 . 0 0 "[ . 1 . 2]" 1
2251 1 73 THR MG 1 78 THR HB . . 3.900 3.778 3.673 3.891 . 0 0 "[ . 1 . 2]" 1
2252 1 73 THR MG 1 78 THR HG1 . . 3.050 1.905 1.892 1.963 . 0 0 "[ . 1 . 2]" 1
2253 1 73 THR MG 1 78 THR MG . . 3.470 3.316 3.247 3.358 . 0 0 "[ . 1 . 2]" 1
2254 1 73 THR MG 1 79 GLU H . . 4.800 4.685 4.570 4.804 0.004 20 0 "[ . 1 . 2]" 1
2255 1 73 THR MG 1 80 VAL QG . . 5.380 5.372 5.332 5.387 0.007 5 0 "[ . 1 . 2]" 1
2256 1 73 THR MG 1 81 LEU QD . . 3.010 2.289 2.107 2.480 . 0 0 "[ . 1 . 2]" 1
2257 1 73 THR MG 1 81 LEU HG . . 5.500 3.964 3.828 4.134 . 0 0 "[ . 1 . 2]" 1
2258 1 74 THR H 1 74 THR HG1 . . 4.500 4.352 4.330 4.382 . 0 0 "[ . 1 . 2]" 1
2259 1 74 THR H 1 74 THR MG . . 2.760 2.183 2.084 2.276 . 0 0 "[ . 1 . 2]" 1
2260 1 74 THR H 1 75 LEU H . . 5.080 4.629 4.625 4.638 . 0 0 "[ . 1 . 2]" 1
2261 1 74 THR H 1 77 ASN H . . 4.730 4.287 4.273 4.304 . 0 0 "[ . 1 . 2]" 1
2262 1 74 THR H 1 77 ASN HB2 . . 3.470 3.053 3.012 3.194 . 0 0 "[ . 1 . 2]" 1
2263 1 74 THR H 1 77 ASN HB3 . . 4.680 4.489 4.422 4.682 0.002 19 0 "[ . 1 . 2]" 1
2264 1 74 THR H 1 77 ASN HD21 . . 3.630 2.982 2.814 3.116 . 0 0 "[ . 1 . 2]" 1
2265 1 74 THR H 1 77 ASN HD22 . . 4.730 4.195 3.972 4.440 . 0 0 "[ . 1 . 2]" 1
2266 1 74 THR H 1 78 THR HG1 . . 4.930 4.360 4.242 4.458 . 0 0 "[ . 1 . 2]" 1
2267 1 74 THR HA 1 74 THR MG . . 3.300 3.192 3.189 3.194 . 0 0 "[ . 1 . 2]" 1
2268 1 74 THR HA 1 75 LEU H . . 3.280 2.413 2.355 2.436 . 0 0 "[ . 1 . 2]" 1
2269 1 74 THR HA 1 75 LEU HB2 . . 4.920 4.815 4.687 4.844 . 0 0 "[ . 1 . 2]" 1
2270 1 74 THR HA 1 76 TYR H . . 4.940 4.648 4.540 4.703 . 0 0 "[ . 1 . 2]" 1
2271 1 74 THR HG1 1 74 THR MG . . 3.390 2.052 1.964 2.165 . 0 0 "[ . 1 . 2]" 1
2272 1 74 THR HG1 1 76 TYR H . . 4.460 2.082 1.992 2.129 . 0 0 "[ . 1 . 2]" 1
2273 1 74 THR HG1 1 77 ASN H . . 3.860 3.409 3.326 3.538 . 0 0 "[ . 1 . 2]" 1
2274 1 74 THR MG 1 75 LEU H . . 4.280 3.450 3.373 3.595 . 0 0 "[ . 1 . 2]" 1
2275 1 74 THR MG 1 75 LEU HA . . 5.040 4.531 4.476 4.639 . 0 0 "[ . 1 . 2]" 1
2276 1 74 THR MG 1 76 TYR H . . 4.250 2.807 2.665 2.997 . 0 0 "[ . 1 . 2]" 1
2277 1 74 THR MG 1 76 TYR QB . . 4.530 2.199 2.128 2.287 . 0 0 "[ . 1 . 2]" 1
2278 1 74 THR MG 1 76 TYR QD . . 5.040 3.631 3.521 3.734 . 0 0 "[ . 1 . 2]" 1
2279 1 74 THR MG 1 77 ASN H . . 3.860 1.854 1.837 1.917 . 0 0 "[ . 1 . 2]" 1
2280 1 74 THR MG 1 77 ASN HB2 . . 4.000 1.998 1.970 2.193 . 0 0 "[ . 1 . 2]" 1
2281 1 74 THR MG 1 77 ASN HB3 . . 5.040 3.440 3.358 3.584 . 0 0 "[ . 1 . 2]" 1
2282 1 74 THR MG 1 77 ASN HD21 . . 4.200 2.502 2.392 2.600 . 0 0 "[ . 1 . 2]" 1
2283 1 74 THR MG 1 77 ASN HD22 . . 4.210 2.652 2.487 2.809 . 0 0 "[ . 1 . 2]" 1
2284 1 75 LEU H 1 75 LEU HB2 . . 3.450 2.689 2.554 2.723 . 0 0 "[ . 1 . 2]" 1
2285 1 75 LEU H 1 75 LEU HB3 . . 3.550 2.331 2.301 2.452 . 0 0 "[ . 1 . 2]" 1
2286 1 75 LEU H 1 75 LEU MD1 . . 4.760 4.172 4.105 4.221 . 0 0 "[ . 1 . 2]" 1
2287 1 75 LEU H 1 75 LEU QD . . 4.180 3.724 3.698 3.750 . 0 0 "[ . 1 . 2]" 1
2288 1 75 LEU H 1 75 LEU MD2 . . 4.760 4.190 4.131 4.234 . 0 0 "[ . 1 . 2]" 1
2289 1 75 LEU H 1 75 LEU HG . . 4.710 4.355 4.327 4.456 . 0 0 "[ . 1 . 2]" 1
2290 1 75 LEU H 1 76 TYR H . . 3.690 2.843 2.798 2.904 . 0 0 "[ . 1 . 2]" 1
2291 1 75 LEU H 1 77 ASN H . . 5.080 4.423 4.355 4.565 . 0 0 "[ . 1 . 2]" 1
2292 1 75 LEU HA 1 75 LEU HB2 . . 3.010 2.346 2.334 2.409 . 0 0 "[ . 1 . 2]" 1
2293 1 75 LEU HA 1 75 LEU MD1 . . 4.090 2.259 2.083 2.375 . 0 0 "[ . 1 . 2]" 1
2294 1 75 LEU HA 1 75 LEU QD . . 2.790 2.246 2.074 2.356 . 0 0 "[ . 1 . 2]" 1
2295 1 75 LEU HA 1 75 LEU MD2 . . 4.090 3.931 3.866 3.957 . 0 0 "[ . 1 . 2]" 1
2296 1 75 LEU HA 1 75 LEU HG . . 3.720 3.335 3.240 3.433 . 0 0 "[ . 1 . 2]" 1
2297 1 75 LEU HA 1 77 ASN H . . 5.350 4.618 4.569 4.720 . 0 0 "[ . 1 . 2]" 1
2298 1 75 LEU HA 1 78 THR H . . 3.520 3.359 3.317 3.381 . 0 0 "[ . 1 . 2]" 1
2299 1 75 LEU HA 1 78 THR HA . . 5.300 5.040 4.946 5.088 . 0 0 "[ . 1 . 2]" 1
2300 1 75 LEU HA 1 78 THR HB . . 3.030 2.442 2.305 2.607 . 0 0 "[ . 1 . 2]" 1
2301 1 75 LEU HA 1 78 THR HG1 . . 3.600 3.074 3.014 3.135 . 0 0 "[ . 1 . 2]" 1
2302 1 75 LEU HA 1 78 THR MG . . 3.970 3.700 3.579 3.815 . 0 0 "[ . 1 . 2]" 1
2303 1 75 LEU HA 1 79 GLU H . . 4.430 4.350 4.254 4.438 0.008 12 0 "[ . 1 . 2]" 1
2304 1 75 LEU HB2 1 75 LEU MD1 . . 3.060 2.305 2.212 2.365 . 0 0 "[ . 1 . 2]" 1
2305 1 75 LEU HB2 1 75 LEU MD2 . . 3.060 2.372 2.236 2.472 . 0 0 "[ . 1 . 2]" 1
2306 1 75 LEU HB2 1 76 TYR H . . 4.160 3.868 3.820 3.882 . 0 0 "[ . 1 . 2]" 1
2307 1 75 LEU HB2 1 78 THR H . . 5.500 5.526 5.505 5.544 0.044 13 0 "[ . 1 . 2]" 1
2308 1 75 LEU HB2 1 78 THR HB . . 5.500 4.633 4.554 4.761 . 0 0 "[ . 1 . 2]" 1
2309 1 75 LEU HB3 1 75 LEU MD1 . . 3.370 3.186 3.173 3.196 . 0 0 "[ . 1 . 2]" 1
2310 1 75 LEU HB3 1 75 LEU QD . . 2.890 2.257 2.151 2.371 . 0 0 "[ . 1 . 2]" 1
2311 1 75 LEU HB3 1 75 LEU MD2 . . 3.370 2.309 2.187 2.447 . 0 0 "[ . 1 . 2]" 1
2312 1 75 LEU HB3 1 76 TYR H . . 3.220 2.461 2.426 2.480 . 0 0 "[ . 1 . 2]" 1
2313 1 75 LEU HB3 1 76 TYR HB2 . . 5.040 4.412 4.310 4.449 . 0 0 "[ . 1 . 2]" 1
2314 1 75 LEU HB3 1 76 TYR QB . . 4.370 4.147 4.081 4.171 . 0 0 "[ . 1 . 2]" 1
2315 1 75 LEU HB3 1 76 TYR HB3 . . 5.040 5.042 5.032 5.051 0.011 11 0 "[ . 1 . 2]" 1
2316 1 75 LEU QD 1 76 TYR H . . 4.190 3.587 3.525 3.767 . 0 0 "[ . 1 . 2]" 1
2317 1 75 LEU QD 1 76 TYR HA . . 4.740 3.853 3.735 4.081 . 0 0 "[ . 1 . 2]" 1
2318 1 75 LEU QD 1 76 TYR QB . . 5.280 4.314 4.230 4.562 . 0 0 "[ . 1 . 2]" 1
2319 1 75 LEU QD 1 78 THR H . . 4.670 4.310 4.192 4.482 . 0 0 "[ . 1 . 2]" 1
2320 1 75 LEU QD 1 78 THR HB . . 3.550 2.838 2.544 3.043 . 0 0 "[ . 1 . 2]" 1
2321 1 75 LEU QD 1 78 THR HG1 . . 4.610 4.433 4.271 4.522 . 0 0 "[ . 1 . 2]" 1
2322 1 75 LEU QD 1 79 GLU H . . 4.320 3.786 3.442 4.129 . 0 0 "[ . 1 . 2]" 1
2323 1 75 LEU QD 1 79 GLU HA . . 4.880 4.587 4.466 4.763 . 0 0 "[ . 1 . 2]" 1
2324 1 75 LEU QD 1 79 GLU HB2 . . 4.960 4.241 4.039 4.565 . 0 0 "[ . 1 . 2]" 1
2325 1 75 LEU QD 1 79 GLU HG2 . . 3.610 3.146 2.815 3.451 . 0 0 "[ . 1 . 2]" 1
2326 1 75 LEU QD 1 79 GLU HG3 . . 3.320 2.674 2.297 3.199 . 0 0 "[ . 1 . 2]" 1
2327 1 75 LEU MD1 1 76 TYR H . . 4.800 4.154 4.021 4.318 . 0 0 "[ . 1 . 2]" 1
2328 1 75 LEU MD1 1 76 TYR HA . . 5.460 4.209 3.940 4.488 . 0 0 "[ . 1 . 2]" 1
2329 1 75 LEU MD2 1 76 TYR H . . 4.800 3.927 3.816 4.187 . 0 0 "[ . 1 . 2]" 1
2330 1 75 LEU MD2 1 76 TYR HA . . 5.460 4.481 4.377 4.688 . 0 0 "[ . 1 . 2]" 1
2331 1 75 LEU HG 1 76 TYR H . . 4.590 3.137 3.049 3.478 . 0 0 "[ . 1 . 2]" 1
2332 1 75 LEU HG 1 76 TYR HA . . 4.200 3.216 3.146 3.518 . 0 0 "[ . 1 . 2]" 1
2333 1 75 LEU HG 1 78 THR HB . . 4.800 4.511 4.339 4.678 . 0 0 "[ . 1 . 2]" 1
2334 1 75 LEU HG 1 79 GLU H . . 5.500 4.696 4.502 4.892 . 0 0 "[ . 1 . 2]" 1
2335 1 75 LEU HG 1 79 GLU HG2 . . 4.950 4.685 4.144 4.931 . 0 0 "[ . 1 . 2]" 1
2336 1 75 LEU HG 1 79 GLU HG3 . . 4.140 3.333 3.162 3.523 . 0 0 "[ . 1 . 2]" 1
2337 1 76 TYR H 1 76 TYR HB2 . . 3.020 2.446 2.415 2.465 . 0 0 "[ . 1 . 2]" 1
2338 1 76 TYR H 1 76 TYR HB3 . . 3.020 2.627 2.606 2.663 . 0 0 "[ . 1 . 2]" 1
2339 1 76 TYR H 1 76 TYR QD . . 4.250 4.193 4.185 4.197 . 0 0 "[ . 1 . 2]" 1
2340 1 76 TYR H 1 77 ASN H . . 3.390 2.942 2.924 2.975 . 0 0 "[ . 1 . 2]" 1
2341 1 76 TYR H 1 79 GLU H . . 5.050 4.958 4.908 5.005 . 0 0 "[ . 1 . 2]" 1
2342 1 76 TYR HA 1 76 TYR QD . . 3.310 3.124 3.110 3.142 . 0 0 "[ . 1 . 2]" 1
2343 1 76 TYR HA 1 76 TYR QE . . 4.840 4.732 4.717 4.741 . 0 0 "[ . 1 . 2]" 1
2344 1 76 TYR HA 1 78 THR H . . 5.040 4.389 4.309 4.440 . 0 0 "[ . 1 . 2]" 1
2345 1 76 TYR HA 1 79 GLU H . . 4.060 3.732 3.667 3.826 . 0 0 "[ . 1 . 2]" 1
2346 1 76 TYR HA 1 79 GLU HB2 . . 3.690 3.292 3.118 3.495 . 0 0 "[ . 1 . 2]" 1
2347 1 76 TYR HA 1 79 GLU HG2 . . 5.500 5.123 4.825 5.428 . 0 0 "[ . 1 . 2]" 1
2348 1 76 TYR HA 1 79 GLU HG3 . . 4.430 3.568 3.318 3.867 . 0 0 "[ . 1 . 2]" 1
2349 1 76 TYR QB 1 77 ASN H . . 3.140 2.329 2.254 2.360 . 0 0 "[ . 1 . 2]" 1
2350 1 76 TYR HB2 1 77 ASN H . . 3.960 3.735 3.691 3.758 . 0 0 "[ . 1 . 2]" 1
2351 1 76 TYR HB3 1 77 ASN H . . 3.960 2.352 2.274 2.386 . 0 0 "[ . 1 . 2]" 1
2352 1 76 TYR QD 1 77 ASN H . . 3.760 3.058 2.930 3.164 . 0 0 "[ . 1 . 2]" 1
2353 1 76 TYR QD 1 77 ASN HA . . 3.660 2.745 2.710 2.773 . 0 0 "[ . 1 . 2]" 1
2354 1 76 TYR QD 1 77 ASN HB3 . . 4.910 4.723 4.640 4.830 . 0 0 "[ . 1 . 2]" 1
2355 1 76 TYR QD 1 79 GLU HB2 . . 5.500 4.963 4.908 5.003 . 0 0 "[ . 1 . 2]" 1
2356 1 76 TYR QD 1 80 VAL HB . . 5.220 4.718 4.645 4.760 . 0 0 "[ . 1 . 2]" 1
2357 1 76 TYR QD 1 80 VAL QG . . 3.930 3.046 2.902 3.148 . 0 0 "[ . 1 . 2]" 1
2358 1 76 TYR QE 1 77 ASN H . . 5.500 5.341 5.219 5.443 . 0 0 "[ . 1 . 2]" 1
2359 1 76 TYR QE 1 77 ASN HA . . 4.430 4.267 4.163 4.370 . 0 0 "[ . 1 . 2]" 1
2360 1 76 TYR QE 1 80 VAL H . . 5.500 5.530 5.523 5.540 0.040 13 0 "[ . 1 . 2]" 1
2361 1 76 TYR QE 1 80 VAL HB . . 5.500 4.975 4.840 5.103 . 0 0 "[ . 1 . 2]" 1
2362 1 76 TYR QE 1 80 VAL QG . . 3.360 2.741 2.703 2.802 . 0 0 "[ . 1 . 2]" 1
2363 1 77 ASN H 1 77 ASN HB2 . . 3.120 2.434 2.397 2.492 . 0 0 "[ . 1 . 2]" 1
2364 1 77 ASN H 1 77 ASN HB3 . . 3.770 3.585 3.580 3.594 . 0 0 "[ . 1 . 2]" 1
2365 1 77 ASN H 1 77 ASN HD21 . . 4.730 4.078 3.989 4.151 . 0 0 "[ . 1 . 2]" 1
2366 1 77 ASN H 1 78 THR H . . 3.240 2.610 2.571 2.633 . 0 0 "[ . 1 . 2]" 1
2367 1 77 ASN H 1 78 THR HA . . 5.470 5.210 5.171 5.231 . 0 0 "[ . 1 . 2]" 1
2368 1 77 ASN H 1 78 THR HB . . 5.050 4.865 4.801 4.922 . 0 0 "[ . 1 . 2]" 1
2369 1 77 ASN H 1 78 THR HG1 . . 4.650 4.210 4.170 4.240 . 0 0 "[ . 1 . 2]" 1
2370 1 77 ASN H 1 79 GLU H . . 5.050 4.215 4.132 4.348 . 0 0 "[ . 1 . 2]" 1
2371 1 77 ASN H 1 80 VAL HB . . 5.500 5.518 5.509 5.528 0.028 9 0 "[ . 1 . 2]" 1
2372 1 77 ASN HA 1 77 ASN HD21 . . 4.710 4.441 4.431 4.470 . 0 0 "[ . 1 . 2]" 1
2373 1 77 ASN HA 1 78 THR HA . . 4.920 4.837 4.808 4.854 . 0 0 "[ . 1 . 2]" 1
2374 1 77 ASN HA 1 79 GLU H . . 4.710 4.100 3.885 4.347 . 0 0 "[ . 1 . 2]" 1
2375 1 77 ASN HA 1 80 VAL H . . 3.670 3.261 3.186 3.356 . 0 0 "[ . 1 . 2]" 1
2376 1 77 ASN HA 1 80 VAL HA . . 5.500 5.325 5.277 5.365 . 0 0 "[ . 1 . 2]" 1
2377 1 77 ASN HA 1 80 VAL HB . . 3.680 2.814 2.782 2.854 . 0 0 "[ . 1 . 2]" 1
2378 1 77 ASN HA 1 80 VAL MG1 . . 4.380 4.191 4.160 4.218 . 0 0 "[ . 1 . 2]" 1
2379 1 77 ASN HA 1 80 VAL QG . . 2.950 2.641 2.551 2.709 . 0 0 "[ . 1 . 2]" 1
2380 1 77 ASN HA 1 80 VAL MG2 . . 4.380 2.670 2.574 2.742 . 0 0 "[ . 1 . 2]" 1
2381 1 77 ASN HA 1 81 LEU H . . 4.840 3.980 3.839 4.138 . 0 0 "[ . 1 . 2]" 1
2382 1 77 ASN HA 1 81 LEU QD . . 4.370 4.292 4.077 4.372 0.002 5 0 "[ . 1 . 2]" 1
2383 1 77 ASN HB2 1 77 ASN HD22 . . 3.900 3.544 3.527 3.563 . 0 0 "[ . 1 . 2]" 1
2384 1 77 ASN HB2 1 78 THR H . . 3.500 2.770 2.715 2.866 . 0 0 "[ . 1 . 2]" 1
2385 1 77 ASN HB2 1 78 THR HA . . 5.250 4.335 4.248 4.405 . 0 0 "[ . 1 . 2]" 1
2386 1 77 ASN HB2 1 78 THR HG1 . . 5.040 3.578 3.496 3.646 . 0 0 "[ . 1 . 2]" 1
2387 1 77 ASN HB2 1 79 GLU H . . 5.470 5.101 5.028 5.226 . 0 0 "[ . 1 . 2]" 1
2388 1 77 ASN HB2 1 80 VAL H . . 5.500 5.509 5.493 5.526 0.026 17 0 "[ . 1 . 2]" 1
2389 1 77 ASN HB2 1 81 LEU QD . . 4.670 3.925 3.614 4.190 . 0 0 "[ . 1 . 2]" 1
2390 1 77 ASN HB3 1 77 ASN HD22 . . 4.030 3.679 3.656 3.701 . 0 0 "[ . 1 . 2]" 1
2391 1 77 ASN HB3 1 78 THR H . . 3.940 3.721 3.694 3.784 . 0 0 "[ . 1 . 2]" 1
2392 1 77 ASN HB3 1 81 LEU QD . . 3.980 3.001 2.680 3.223 . 0 0 "[ . 1 . 2]" 1
2393 1 77 ASN HB3 1 81 LEU HG . . 5.390 3.390 3.234 3.621 . 0 0 "[ . 1 . 2]" 1
2394 1 78 THR H 1 78 THR HB . . 2.940 2.557 2.527 2.613 . 0 0 "[ . 1 . 2]" 1
2395 1 78 THR H 1 78 THR HG1 . . 2.920 2.056 1.973 2.100 . 0 0 "[ . 1 . 2]" 1
2396 1 78 THR H 1 78 THR MG . . 3.780 3.765 3.765 3.766 . 0 0 "[ . 1 . 2]" 1
2397 1 78 THR H 1 79 GLU H . . 3.310 2.710 2.620 2.788 . 0 0 "[ . 1 . 2]" 1
2398 1 78 THR H 1 79 GLU HB2 . . 5.000 4.730 4.559 4.842 . 0 0 "[ . 1 . 2]" 1
2399 1 78 THR H 1 80 VAL H . . 4.570 4.189 4.136 4.290 . 0 0 "[ . 1 . 2]" 1
2400 1 78 THR H 1 81 LEU HB2 . . 5.500 5.488 5.424 5.507 0.007 11 0 "[ . 1 . 2]" 1
2401 1 78 THR H 1 81 LEU QD . . 4.870 4.483 4.073 4.727 . 0 0 "[ . 1 . 2]" 1
2402 1 78 THR HA 1 78 THR HG1 . . 3.670 2.683 2.601 2.795 . 0 0 "[ . 1 . 2]" 1
2403 1 78 THR HA 1 78 THR MG . . 3.060 2.347 2.288 2.418 . 0 0 "[ . 1 . 2]" 1
2404 1 78 THR HA 1 80 VAL H . . 4.800 4.395 4.325 4.547 . 0 0 "[ . 1 . 2]" 1
2405 1 78 THR HA 1 81 LEU H . . 4.150 3.854 3.680 4.004 . 0 0 "[ . 1 . 2]" 1
2406 1 78 THR HA 1 81 LEU HB2 . . 3.760 3.147 3.066 3.237 . 0 0 "[ . 1 . 2]" 1
2407 1 78 THR HA 1 81 LEU HB3 . . 5.120 4.815 4.731 4.912 . 0 0 "[ . 1 . 2]" 1
2408 1 78 THR HA 1 81 LEU QD . . 3.810 3.038 2.490 3.413 . 0 0 "[ . 1 . 2]" 1
2409 1 78 THR HA 1 82 LEU H . . 4.140 3.796 3.710 3.903 . 0 0 "[ . 1 . 2]" 1
2410 1 78 THR HA 1 82 LEU QD . . 4.440 3.209 3.072 3.809 . 0 0 "[ . 1 . 2]" 1
2411 1 78 THR HA 1 82 LEU HG . . 5.500 4.995 3.956 5.248 . 0 0 "[ . 1 . 2]" 1
2412 1 78 THR HB 1 79 GLU H . . 3.200 2.758 2.538 2.960 . 0 0 "[ . 1 . 2]" 1
2413 1 78 THR HB 1 79 GLU HA . . 4.490 4.307 4.196 4.387 . 0 0 "[ . 1 . 2]" 1
2414 1 78 THR HB 1 79 GLU HB2 . . 4.910 4.738 4.617 4.882 . 0 0 "[ . 1 . 2]" 1
2415 1 78 THR HB 1 79 GLU HG2 . . 4.910 4.157 3.750 4.558 . 0 0 "[ . 1 . 2]" 1
2416 1 78 THR HB 1 79 GLU HG3 . . 4.710 4.249 3.935 4.576 . 0 0 "[ . 1 . 2]" 1
2417 1 78 THR HB 1 82 LEU QD . . 5.370 4.398 4.024 4.546 . 0 0 "[ . 1 . 2]" 1
2418 1 78 THR HG1 1 79 GLU H . . 4.650 4.199 4.104 4.250 . 0 0 "[ . 1 . 2]" 1
2419 1 78 THR MG 1 79 GLU H . . 4.030 3.579 3.476 3.709 . 0 0 "[ . 1 . 2]" 1
2420 1 78 THR MG 1 79 GLU HA . . 3.810 3.568 3.441 3.682 . 0 0 "[ . 1 . 2]" 1
2421 1 78 THR MG 1 79 GLU HG2 . . 4.120 3.911 3.674 4.082 . 0 0 "[ . 1 . 2]" 1
2422 1 78 THR MG 1 79 GLU HG3 . . 5.120 4.700 4.397 4.996 . 0 0 "[ . 1 . 2]" 1
2423 1 78 THR MG 1 80 VAL H . . 5.500 5.068 4.992 5.143 . 0 0 "[ . 1 . 2]" 1
2424 1 78 THR MG 1 82 LEU H . . 4.360 3.922 3.608 4.117 . 0 0 "[ . 1 . 2]" 1
2425 1 78 THR MG 1 82 LEU HB2 . . 4.240 3.541 3.288 3.704 . 0 0 "[ . 1 . 2]" 1
2426 1 78 THR MG 1 82 LEU HB3 . . 4.710 4.620 4.453 4.715 0.005 15 0 "[ . 1 . 2]" 1
2427 1 78 THR MG 1 82 LEU QD . . 2.910 2.103 1.877 2.304 . 0 0 "[ . 1 . 2]" 1
2428 1 79 GLU H 1 79 GLU HB2 . . 3.040 2.283 2.185 2.372 . 0 0 "[ . 1 . 2]" 1
2429 1 79 GLU H 1 79 GLU HB3 . . 3.600 3.543 3.484 3.576 . 0 0 "[ . 1 . 2]" 1
2430 1 79 GLU H 1 79 GLU HG2 . . 3.660 3.242 2.845 3.631 . 0 0 "[ . 1 . 2]" 1
2431 1 79 GLU H 1 79 GLU HG3 . . 3.710 3.050 2.769 3.392 . 0 0 "[ . 1 . 2]" 1
2432 1 79 GLU H 1 80 VAL H . . 3.200 2.537 2.389 2.666 . 0 0 "[ . 1 . 2]" 1
2433 1 79 GLU H 1 80 VAL HB . . 5.100 4.743 4.600 4.895 . 0 0 "[ . 1 . 2]" 1
2434 1 79 GLU H 1 80 VAL QG . . 4.300 3.971 3.850 4.078 . 0 0 "[ . 1 . 2]" 1
2435 1 79 GLU H 1 82 LEU HB2 . . 5.500 4.917 4.799 5.022 . 0 0 "[ . 1 . 2]" 1
2436 1 79 GLU H 1 82 LEU QD . . 4.820 4.799 4.643 4.834 0.014 3 0 "[ . 1 . 2]" 1
2437 1 79 GLU HA 1 79 GLU HG2 . . 3.000 2.223 2.125 2.341 . 0 0 "[ . 1 . 2]" 1
2438 1 79 GLU HA 1 79 GLU HG3 . . 3.630 3.422 3.234 3.602 . 0 0 "[ . 1 . 2]" 1
2439 1 79 GLU HA 1 80 VAL HA . . 4.920 4.777 4.752 4.800 . 0 0 "[ . 1 . 2]" 1
2440 1 79 GLU HA 1 80 VAL QG . . 5.070 4.806 4.784 4.831 . 0 0 "[ . 1 . 2]" 1
2441 1 79 GLU HA 1 82 LEU H . . 4.230 4.016 3.913 4.190 . 0 0 "[ . 1 . 2]" 1
2442 1 79 GLU HA 1 82 LEU HB2 . . 3.480 2.923 2.826 3.064 . 0 0 "[ . 1 . 2]" 1
2443 1 79 GLU HA 1 82 LEU HB3 . . 4.640 4.220 4.068 4.444 . 0 0 "[ . 1 . 2]" 1
2444 1 79 GLU HA 1 82 LEU QD . . 4.440 3.977 3.222 4.124 . 0 0 "[ . 1 . 2]" 1
2445 1 79 GLU HA 1 82 LEU HG . . 5.210 4.476 4.311 5.036 . 0 0 "[ . 1 . 2]" 1
2446 1 79 GLU HA 1 83 SER H . . 4.030 3.841 3.723 3.933 . 0 0 "[ . 1 . 2]" 1
2447 1 79 GLU HB2 1 80 VAL H . . 3.610 2.794 2.660 2.950 . 0 0 "[ . 1 . 2]" 1
2448 1 79 GLU HB2 1 80 VAL HA . . 4.910 4.556 4.438 4.742 . 0 0 "[ . 1 . 2]" 1
2449 1 79 GLU HB2 1 80 VAL QG . . 4.500 3.508 3.429 3.630 . 0 0 "[ . 1 . 2]" 1
2450 1 79 GLU HB3 1 80 VAL H . . 4.190 3.508 3.409 3.603 . 0 0 "[ . 1 . 2]" 1
2451 1 79 GLU HB3 1 80 VAL HA . . 4.800 4.209 4.110 4.301 . 0 0 "[ . 1 . 2]" 1
2452 1 79 GLU HB3 1 80 VAL QG . . 5.160 3.968 3.812 4.068 . 0 0 "[ . 1 . 2]" 1
2453 1 79 GLU HB3 1 83 SER H . . 5.470 4.990 4.882 5.119 . 0 0 "[ . 1 . 2]" 1
2454 1 79 GLU HB3 1 83 SER QB . . 4.730 4.216 3.978 4.614 . 0 0 "[ . 1 . 2]" 1
2455 1 79 GLU HG2 1 80 VAL H . . 5.100 4.827 4.663 4.957 . 0 0 "[ . 1 . 2]" 1
2456 1 79 GLU HG2 1 82 LEU QD . . 5.440 5.153 4.062 5.376 . 0 0 "[ . 1 . 2]" 1
2457 1 79 GLU HG3 1 80 VAL H . . 5.220 4.751 4.606 4.968 . 0 0 "[ . 1 . 2]" 1
2458 1 80 VAL H 1 80 VAL HB . . 2.850 2.489 2.465 2.510 . 0 0 "[ . 1 . 2]" 1
2459 1 80 VAL H 1 80 VAL MG1 . . 3.810 3.760 3.757 3.763 . 0 0 "[ . 1 . 2]" 1
2460 1 80 VAL H 1 80 VAL QG . . 2.780 2.268 2.237 2.323 . 0 0 "[ . 1 . 2]" 1
2461 1 80 VAL H 1 80 VAL MG2 . . 3.810 2.286 2.254 2.345 . 0 0 "[ . 1 . 2]" 1
2462 1 80 VAL H 1 81 LEU H . . 3.270 2.771 2.702 2.853 . 0 0 "[ . 1 . 2]" 1
2463 1 80 VAL H 1 81 LEU HA . . 5.500 5.336 5.284 5.398 . 0 0 "[ . 1 . 2]" 1
2464 1 80 VAL H 1 81 LEU QD . . 4.800 4.769 4.608 4.808 0.008 5 0 "[ . 1 . 2]" 1
2465 1 80 VAL H 1 81 LEU HG . . 5.500 4.474 4.310 4.538 . 0 0 "[ . 1 . 2]" 1
2466 1 80 VAL H 1 82 LEU H . . 4.800 4.318 4.278 4.361 . 0 0 "[ . 1 . 2]" 1
2467 1 80 VAL H 1 82 LEU HB2 . . 4.990 5.004 4.997 5.012 0.022 8 0 "[ . 1 . 2]" 1
2468 1 80 VAL HA 1 80 VAL MG1 . . 3.280 2.345 2.323 2.385 . 0 0 "[ . 1 . 2]" 1
2469 1 80 VAL HA 1 80 VAL QG . . 2.830 2.050 2.045 2.063 . 0 0 "[ . 1 . 2]" 1
2470 1 80 VAL HA 1 80 VAL MG2 . . 3.280 2.263 2.250 2.275 . 0 0 "[ . 1 . 2]" 1
2471 1 80 VAL HA 1 81 LEU HA . . 4.900 4.813 4.790 4.827 . 0 0 "[ . 1 . 2]" 1
2472 1 80 VAL HA 1 83 SER H . . 4.380 3.736 3.648 3.808 . 0 0 "[ . 1 . 2]" 1
2473 1 80 VAL HA 1 83 SER HB2 . . 4.060 3.549 2.591 4.044 . 0 0 "[ . 1 . 2]" 1
2474 1 80 VAL HA 1 83 SER HB3 . . 4.060 3.092 2.697 4.062 0.002 2 0 "[ . 1 . 2]" 1
2475 1 80 VAL HA 1 84 HIS H . . 4.700 3.944 3.879 3.988 . 0 0 "[ . 1 . 2]" 1
2476 1 80 VAL HB 1 81 LEU H . . 2.940 2.280 2.236 2.340 . 0 0 "[ . 1 . 2]" 1
2477 1 80 VAL HB 1 81 LEU QD . . 5.440 3.736 3.484 3.893 . 0 0 "[ . 1 . 2]" 1
2478 1 80 VAL QG 1 81 LEU H . . 3.560 2.964 2.879 3.034 . 0 0 "[ . 1 . 2]" 1
2479 1 80 VAL QG 1 81 LEU HA . . 3.670 3.318 3.145 3.390 . 0 0 "[ . 1 . 2]" 1
2480 1 80 VAL QG 1 81 LEU HB3 . . 5.440 4.995 4.930 5.059 . 0 0 "[ . 1 . 2]" 1
2481 1 80 VAL QG 1 81 LEU HG . . 5.350 3.599 3.478 3.715 . 0 0 "[ . 1 . 2]" 1
2482 1 80 VAL QG 1 82 LEU H . . 5.220 4.742 4.685 4.784 . 0 0 "[ . 1 . 2]" 1
2483 1 80 VAL QG 1 84 HIS H . . 4.660 3.799 3.745 3.858 . 0 0 "[ . 1 . 2]" 1
2484 1 80 VAL QG 1 84 HIS HB2 . . 4.870 3.169 3.105 3.277 . 0 0 "[ . 1 . 2]" 1
2485 1 80 VAL QG 1 84 HIS HB3 . . 5.290 4.245 4.202 4.381 . 0 0 "[ . 1 . 2]" 1
2486 1 80 VAL QG 1 84 HIS HD2 . . 5.440 4.451 4.264 4.740 . 0 0 "[ . 1 . 2]" 1
2487 1 80 VAL MG1 1 81 LEU H . . 4.190 3.109 2.993 3.209 . 0 0 "[ . 1 . 2]" 1
2488 1 80 VAL MG1 1 83 SER H . . 5.500 4.816 4.699 4.910 . 0 0 "[ . 1 . 2]" 1
2489 1 80 VAL MG1 1 84 HIS H . . 5.500 3.870 3.808 3.938 . 0 0 "[ . 1 . 2]" 1
2490 1 80 VAL MG2 1 81 LEU H . . 4.190 3.738 3.723 3.758 . 0 0 "[ . 1 . 2]" 1
2491 1 80 VAL MG2 1 83 SER H . . 5.500 5.331 5.278 5.366 . 0 0 "[ . 1 . 2]" 1
2492 1 80 VAL MG2 1 84 HIS H . . 5.500 5.535 5.519 5.552 0.052 5 0 "[ . 1 . 2]" 1
2493 1 81 LEU H 1 81 LEU HB2 . . 3.460 2.550 2.492 2.597 . 0 0 "[ . 1 . 2]" 1
2494 1 81 LEU H 1 81 LEU HB3 . . 3.790 3.586 3.583 3.588 . 0 0 "[ . 1 . 2]" 1
2495 1 81 LEU H 1 81 LEU MD1 . . 4.580 3.544 3.330 3.688 . 0 0 "[ . 1 . 2]" 1
2496 1 81 LEU H 1 81 LEU QD . . 3.620 2.993 2.905 3.063 . 0 0 "[ . 1 . 2]" 1
2497 1 81 LEU H 1 81 LEU MD2 . . 4.580 3.243 3.053 3.406 . 0 0 "[ . 1 . 2]" 1
2498 1 81 LEU H 1 81 LEU HG . . 3.130 2.136 2.029 2.246 . 0 0 "[ . 1 . 2]" 1
2499 1 81 LEU H 1 82 LEU H . . 3.350 2.921 2.846 2.990 . 0 0 "[ . 1 . 2]" 1
2500 1 81 LEU H 1 83 SER H . . 4.870 4.258 4.181 4.330 . 0 0 "[ . 1 . 2]" 1
2501 1 81 LEU H 1 84 HIS H . . 5.100 4.676 4.638 4.705 . 0 0 "[ . 1 . 2]" 1
2502 1 81 LEU HA 1 81 LEU MD1 . . 4.120 3.887 3.834 3.946 . 0 0 "[ . 1 . 2]" 1
2503 1 81 LEU HA 1 81 LEU QD . . 2.840 2.020 1.954 2.182 . 0 0 "[ . 1 . 2]" 1
2504 1 81 LEU HA 1 81 LEU MD2 . . 4.120 2.027 1.959 2.192 . 0 0 "[ . 1 . 2]" 1
2505 1 81 LEU HA 1 81 LEU HG . . 3.720 3.101 3.012 3.214 . 0 0 "[ . 1 . 2]" 1
2506 1 81 LEU HA 1 84 HIS H . . 3.790 3.575 3.551 3.596 . 0 0 "[ . 1 . 2]" 1
2507 1 81 LEU HA 1 84 HIS HA . . 5.500 5.509 5.480 5.527 0.027 6 0 "[ . 1 . 2]" 1
2508 1 81 LEU HA 1 84 HIS HB2 . . 3.920 3.418 3.359 3.472 . 0 0 "[ . 1 . 2]" 1
2509 1 81 LEU HA 1 84 HIS HB3 . . 4.120 2.990 2.939 3.102 . 0 0 "[ . 1 . 2]" 1
2510 1 81 LEU HB2 1 81 LEU QD . . 3.040 2.189 2.069 2.353 . 0 0 "[ . 1 . 2]" 1
2511 1 81 LEU HB2 1 82 LEU H . . 3.070 2.264 2.219 2.302 . 0 0 "[ . 1 . 2]" 1
2512 1 81 LEU HB2 1 83 SER H . . 5.180 4.875 4.809 4.908 . 0 0 "[ . 1 . 2]" 1
2513 1 81 LEU HB2 1 84 HIS H . . 5.500 5.504 5.482 5.520 0.020 2 0 "[ . 1 . 2]" 1
2514 1 81 LEU HB3 1 81 LEU MD1 . . 3.430 2.432 2.229 2.588 . 0 0 "[ . 1 . 2]" 1
2515 1 81 LEU HB3 1 81 LEU MD2 . . 3.430 2.362 2.294 2.413 . 0 0 "[ . 1 . 2]" 1
2516 1 81 LEU HB3 1 82 LEU H . . 3.770 3.359 3.246 3.443 . 0 0 "[ . 1 . 2]" 1
2517 1 81 LEU QD 1 82 LEU H . . 4.140 3.850 3.742 3.906 . 0 0 "[ . 1 . 2]" 1
2518 1 81 LEU QD 1 83 SER H . . 5.440 5.444 5.414 5.454 0.014 11 0 "[ . 1 . 2]" 1
2519 1 81 LEU QD 1 84 HIS H . . 5.440 4.961 4.891 5.120 . 0 0 "[ . 1 . 2]" 1
2520 1 81 LEU QD 1 84 HIS HB2 . . 5.050 4.397 4.255 4.617 . 0 0 "[ . 1 . 2]" 1
2521 1 81 LEU MD1 1 82 LEU H . . 5.500 4.144 3.944 4.266 . 0 0 "[ . 1 . 2]" 1
2522 1 81 LEU MD2 1 82 LEU H . . 5.500 4.582 4.524 4.651 . 0 0 "[ . 1 . 2]" 1
2523 1 81 LEU HG 1 82 LEU H . . 5.210 4.202 4.144 4.268 . 0 0 "[ . 1 . 2]" 1
2524 1 82 LEU H 1 82 LEU HB2 . . 3.130 2.201 2.172 2.296 . 0 0 "[ . 1 . 2]" 1
2525 1 82 LEU H 1 82 LEU HB3 . . 4.110 3.504 3.488 3.549 . 0 0 "[ . 1 . 2]" 1
2526 1 82 LEU H 1 82 LEU MD1 . . 4.110 3.900 3.594 3.971 . 0 0 "[ . 1 . 2]" 1
2527 1 82 LEU H 1 82 LEU QD . . 3.600 2.132 1.920 3.292 . 0 0 "[ . 1 . 2]" 1
2528 1 82 LEU H 1 82 LEU MD2 . . 4.110 2.210 1.924 3.817 . 0 0 "[ . 1 . 2]" 1
2529 1 82 LEU H 1 82 LEU HG . . 4.120 3.714 2.624 3.940 . 0 0 "[ . 1 . 2]" 1
2530 1 82 LEU H 1 83 SER H . . 3.170 2.831 2.794 2.872 . 0 0 "[ . 1 . 2]" 1
2531 1 82 LEU H 1 84 HIS H . . 4.610 4.294 4.252 4.349 . 0 0 "[ . 1 . 2]" 1
2532 1 82 LEU H 1 85 LEU HB2 . . 5.340 5.107 5.026 5.226 . 0 0 "[ . 1 . 2]" 1
2533 1 82 LEU HA 1 82 LEU MD1 . . 3.800 2.445 2.079 3.841 0.041 7 0 "[ . 1 . 2]" 1
2534 1 82 LEU HA 1 82 LEU QD . . 2.720 2.040 1.969 2.108 . 0 0 "[ . 1 . 2]" 1
2535 1 82 LEU HA 1 82 LEU MD2 . . 3.800 2.368 2.000 2.474 . 0 0 "[ . 1 . 2]" 1
2536 1 82 LEU HA 1 82 LEU HG . . 3.770 3.546 2.739 3.688 . 0 0 "[ . 1 . 2]" 1
2537 1 82 LEU HA 1 85 LEU H . . 3.860 3.855 3.775 3.880 0.020 9 0 "[ . 1 . 2]" 1
2538 1 82 LEU HA 1 85 LEU HB2 . . 3.470 3.447 3.331 3.483 0.013 5 0 "[ . 1 . 2]" 1
2539 1 82 LEU HA 1 85 LEU HB3 . . 3.790 3.636 3.567 3.707 . 0 0 "[ . 1 . 2]" 1
2540 1 82 LEU HA 1 85 LEU MD1 . . 4.870 4.523 4.325 4.692 . 0 0 "[ . 1 . 2]" 1
2541 1 82 LEU HA 1 85 LEU MD2 . . 4.870 4.405 4.332 4.491 . 0 0 "[ . 1 . 2]" 1
2542 1 82 LEU HA 1 86 SER H . . 4.220 4.006 3.808 4.223 0.003 6 0 "[ . 1 . 2]" 1
2543 1 82 LEU HB2 1 82 LEU MD1 . . 3.430 3.032 2.143 3.185 . 0 0 "[ . 1 . 2]" 1
2544 1 82 LEU HB2 1 82 LEU QD . . 2.880 2.278 2.111 2.309 . 0 0 "[ . 1 . 2]" 1
2545 1 82 LEU HB2 1 82 LEU MD2 . . 3.430 2.483 2.333 3.189 . 0 0 "[ . 1 . 2]" 1
2546 1 82 LEU HB2 1 83 SER H . . 3.460 2.702 2.579 2.765 . 0 0 "[ . 1 . 2]" 1
2547 1 82 LEU HB3 1 82 LEU QD . . 2.900 2.159 2.066 2.234 . 0 0 "[ . 1 . 2]" 1
2548 1 82 LEU HB3 1 83 SER H . . 3.710 3.148 3.071 3.278 . 0 0 "[ . 1 . 2]" 1
2549 1 82 LEU QD 1 85 LEU H . . 5.340 4.784 4.718 5.064 . 0 0 "[ . 1 . 2]" 1
2550 1 82 LEU QD 1 85 LEU HB2 . . 4.770 4.147 4.079 4.336 . 0 0 "[ . 1 . 2]" 1
2551 1 82 LEU QD 1 85 LEU HB3 . . 4.100 3.980 3.885 4.104 0.004 12 0 "[ . 1 . 2]" 1
2552 1 82 LEU MD1 1 83 SER H . . 4.650 4.585 4.375 4.636 . 0 0 "[ . 1 . 2]" 1
2553 1 82 LEU MD2 1 83 SER H . . 4.650 4.212 4.124 4.667 0.017 6 0 "[ . 1 . 2]" 1
2554 1 82 LEU HG 1 83 SER H . . 5.040 4.945 4.637 5.041 0.001 17 0 "[ . 1 . 2]" 1
2555 1 83 SER H 1 83 SER HB2 . . 4.000 2.494 2.183 2.728 . 0 0 "[ . 1 . 2]" 1
2556 1 83 SER H 1 83 SER QB . . 3.170 2.234 2.162 2.261 . 0 0 "[ . 1 . 2]" 1
2557 1 83 SER H 1 83 SER HB3 . . 4.000 2.744 2.364 3.538 . 0 0 "[ . 1 . 2]" 1
2558 1 83 SER H 1 84 HIS H . . 3.340 2.726 2.694 2.763 . 0 0 "[ . 1 . 2]" 1
2559 1 83 SER H 1 84 HIS HB3 . . 5.310 5.137 5.093 5.183 . 0 0 "[ . 1 . 2]" 1
2560 1 83 SER H 1 85 LEU H . . 4.940 4.496 4.423 4.571 . 0 0 "[ . 1 . 2]" 1
2561 1 83 SER H 1 86 SER H . . 5.500 4.631 4.562 4.689 . 0 0 "[ . 1 . 2]" 1
2562 1 83 SER HA 1 86 SER H . . 3.960 3.621 3.526 3.730 . 0 0 "[ . 1 . 2]" 1
2563 1 83 SER QB 1 84 HIS H . . 3.550 2.523 2.463 2.628 . 0 0 "[ . 1 . 2]" 1
2564 1 83 SER HG 1 86 SER QB . . 4.910 4.357 3.610 4.817 . 0 0 "[ . 1 . 2]" 1
2565 1 84 HIS H 1 84 HIS HB2 . . 3.280 2.340 2.317 2.375 . 0 0 "[ . 1 . 2]" 1
2566 1 84 HIS H 1 84 HIS HB3 . . 3.170 2.739 2.696 2.764 . 0 0 "[ . 1 . 2]" 1
2567 1 84 HIS H 1 84 HIS HD2 . . 5.230 4.800 4.761 4.878 . 0 0 "[ . 1 . 2]" 1
2568 1 84 HIS H 1 85 LEU H . . 3.360 2.854 2.824 2.890 . 0 0 "[ . 1 . 2]" 1
2569 1 84 HIS H 1 85 LEU HB2 . . 5.000 4.693 4.653 4.738 . 0 0 "[ . 1 . 2]" 1
2570 1 84 HIS H 1 86 SER QB . . 4.800 4.411 4.329 4.604 . 0 0 "[ . 1 . 2]" 1
2571 1 84 HIS HA 1 84 HIS HD2 . . 4.330 3.063 2.783 3.256 . 0 0 "[ . 1 . 2]" 1
2572 1 84 HIS HA 1 86 SER H . . 4.750 4.167 4.018 4.314 . 0 0 "[ . 1 . 2]" 1
2573 1 84 HIS HA 1 87 TYR H . . 3.850 3.810 3.734 3.860 0.010 17 0 "[ . 1 . 2]" 1
2574 1 84 HIS HA 1 87 TYR HB3 . . 4.060 3.803 3.657 3.994 . 0 0 "[ . 1 . 2]" 1
2575 1 84 HIS HA 1 87 TYR QD . . 5.140 5.070 4.897 5.143 0.003 6 0 "[ . 1 . 2]" 1
2576 1 84 HIS HA 1 88 LEU H . . 4.930 4.668 4.590 4.782 . 0 0 "[ . 1 . 2]" 1
2577 1 84 HIS HB2 1 85 LEU H . . 3.730 3.533 3.502 3.603 . 0 0 "[ . 1 . 2]" 1
2578 1 84 HIS HB2 1 85 LEU QD . . 5.440 5.346 5.152 5.425 . 0 0 "[ . 1 . 2]" 1
2579 1 84 HIS HB3 1 85 LEU H . . 3.820 2.198 2.137 2.258 . 0 0 "[ . 1 . 2]" 1
2580 1 84 HIS HB3 1 85 LEU HA . . 4.490 4.016 3.988 4.066 . 0 0 "[ . 1 . 2]" 1
2581 1 84 HIS HB3 1 85 LEU HG . . 5.500 5.498 5.431 5.528 0.028 6 0 "[ . 1 . 2]" 1
2582 1 84 HIS HD2 1 88 LEU MD1 . . 5.500 4.097 3.861 4.896 . 0 0 "[ . 1 . 2]" 1
2583 1 84 HIS HD2 1 88 LEU MD2 . . 5.500 5.508 5.501 5.516 0.016 5 0 "[ . 1 . 2]" 1
2584 1 84 HIS HE1 1 85 LEU QD . . 5.440 5.346 5.205 5.444 0.004 11 0 "[ . 1 . 2]" 1
2585 1 84 HIS HE1 1 88 LEU MD1 . . 3.920 2.621 2.446 2.840 . 0 0 "[ . 1 . 2]" 1
2586 1 84 HIS HE1 1 88 LEU QD . . 3.240 2.188 2.010 2.456 . 0 0 "[ . 1 . 2]" 1
2587 1 84 HIS HE1 1 88 LEU MD2 . . 3.920 2.349 2.137 2.701 . 0 0 "[ . 1 . 2]" 1
2588 1 84 HIS HE1 1 88 LEU HG . . 4.770 4.476 3.997 4.775 0.005 5 0 "[ . 1 . 2]" 1
2589 1 85 LEU H 1 85 LEU HB2 . . 3.120 2.059 2.051 2.066 . 0 0 "[ . 1 . 2]" 1
2590 1 85 LEU H 1 85 LEU HB3 . . 3.390 3.128 3.107 3.163 . 0 0 "[ . 1 . 2]" 1
2591 1 85 LEU H 1 85 LEU MD1 . . 4.600 3.380 3.186 3.452 . 0 0 "[ . 1 . 2]" 1
2592 1 85 LEU H 1 85 LEU QD . . 3.940 3.278 3.117 3.338 . 0 0 "[ . 1 . 2]" 1
2593 1 85 LEU H 1 85 LEU MD2 . . 4.600 4.422 4.410 4.440 . 0 0 "[ . 1 . 2]" 1
2594 1 85 LEU H 1 85 LEU HG . . 4.250 4.181 4.160 4.208 . 0 0 "[ . 1 . 2]" 1
2595 1 85 LEU H 1 86 SER H . . 3.320 2.687 2.646 2.724 . 0 0 "[ . 1 . 2]" 1
2596 1 85 LEU H 1 87 TYR H . . 4.570 4.429 4.255 4.579 0.009 4 0 "[ . 1 . 2]" 1
2597 1 85 LEU H 1 88 LEU QD . . 5.440 3.876 3.371 4.028 . 0 0 "[ . 1 . 2]" 1
2598 1 85 LEU HA 1 85 LEU MD1 . . 3.690 2.950 2.874 3.002 . 0 0 "[ . 1 . 2]" 1
2599 1 85 LEU HA 1 85 LEU QD . . 2.980 2.812 2.762 2.842 . 0 0 "[ . 1 . 2]" 1
2600 1 85 LEU HA 1 85 LEU MD2 . . 3.690 3.546 3.509 3.577 . 0 0 "[ . 1 . 2]" 1
2601 1 85 LEU HA 1 85 LEU HG . . 3.720 2.186 2.171 2.205 . 0 0 "[ . 1 . 2]" 1
2602 1 85 LEU HA 1 87 TYR H . . 4.800 4.024 3.760 4.315 . 0 0 "[ . 1 . 2]" 1
2603 1 85 LEU HA 1 88 LEU H . . 3.880 3.309 3.113 3.435 . 0 0 "[ . 1 . 2]" 1
2604 1 85 LEU HA 1 88 LEU QB . . 3.900 2.347 2.225 2.547 . 0 0 "[ . 1 . 2]" 1
2605 1 85 LEU HA 1 88 LEU MD1 . . 4.300 2.697 1.909 2.871 . 0 0 "[ . 1 . 2]" 1
2606 1 85 LEU HA 1 88 LEU QD . . 3.470 2.608 1.907 2.749 . 0 0 "[ . 1 . 2]" 1
2607 1 85 LEU HA 1 88 LEU MD2 . . 4.300 3.554 3.404 4.311 0.011 20 0 "[ . 1 . 2]" 1
2608 1 85 LEU HA 1 88 LEU HG . . 5.050 4.930 3.296 5.081 0.031 6 0 "[ . 1 . 2]" 1
2609 1 85 LEU HA 1 89 ARG H . . 4.200 3.697 3.431 4.012 . 0 0 "[ . 1 . 2]" 1
2610 1 85 LEU HB2 1 85 LEU MD1 . . 3.370 2.097 1.985 2.151 . 0 0 "[ . 1 . 2]" 1
2611 1 85 LEU HB2 1 85 LEU MD2 . . 3.370 2.819 2.781 2.882 . 0 0 "[ . 1 . 2]" 1
2612 1 85 LEU HB2 1 85 LEU HG . . 2.960 2.903 2.889 2.921 . 0 0 "[ . 1 . 2]" 1
2613 1 85 LEU HB2 1 86 SER H . . 3.560 3.486 3.416 3.563 0.003 2 0 "[ . 1 . 2]" 1
2614 1 85 LEU HB2 1 86 SER HA . . 5.500 5.269 5.217 5.303 . 0 0 "[ . 1 . 2]" 1
2615 1 85 LEU HB3 1 85 LEU MD1 . . 3.470 3.019 2.993 3.057 . 0 0 "[ . 1 . 2]" 1
2616 1 85 LEU HB3 1 85 LEU QD . . 2.970 1.990 1.924 2.100 . 0 0 "[ . 1 . 2]" 1
2617 1 85 LEU HB3 1 85 LEU MD2 . . 3.470 2.019 1.948 2.140 . 0 0 "[ . 1 . 2]" 1
2618 1 85 LEU HB3 1 86 SER H . . 3.620 3.023 2.912 3.158 . 0 0 "[ . 1 . 2]" 1
2619 1 85 LEU HB3 1 86 SER HA . . 5.270 3.882 3.845 3.926 . 0 0 "[ . 1 . 2]" 1
2620 1 85 LEU HB3 1 87 TYR H . . 5.500 5.111 4.883 5.305 . 0 0 "[ . 1 . 2]" 1
2621 1 85 LEU HB3 1 89 ARG HD2 . . 5.040 3.984 3.582 4.299 . 0 0 "[ . 1 . 2]" 1
2622 1 85 LEU HB3 1 89 ARG HD3 . . 5.040 3.444 2.781 3.882 . 0 0 "[ . 1 . 2]" 1
2623 1 85 LEU QD 1 88 LEU H . . 5.440 5.100 4.937 5.206 . 0 0 "[ . 1 . 2]" 1
2624 1 85 LEU QD 1 88 LEU QB . . 5.270 3.721 3.582 3.832 . 0 0 "[ . 1 . 2]" 1
2625 1 85 LEU QD 1 88 LEU QD . . 3.840 3.392 2.673 3.543 . 0 0 "[ . 1 . 2]" 1
2626 1 85 LEU QD 1 89 ARG H . . 5.440 4.297 3.887 4.591 . 0 0 "[ . 1 . 2]" 1
2627 1 85 LEU QD 1 89 ARG HD2 . . 4.260 2.152 1.893 2.402 . 0 0 "[ . 1 . 2]" 1
2628 1 85 LEU QD 1 89 ARG HD3 . . 4.660 2.659 1.995 2.984 . 0 0 "[ . 1 . 2]" 1
2629 1 85 LEU QD 1 89 ARG HG2 . . 3.790 3.313 2.888 3.803 0.013 16 0 "[ . 1 . 2]" 1
2630 1 85 LEU MD1 1 86 SER H . . 5.100 4.918 4.847 4.976 . 0 0 "[ . 1 . 2]" 1
2631 1 85 LEU MD1 1 89 ARG HD2 . . 5.120 4.861 4.524 5.122 0.002 17 0 "[ . 1 . 2]" 1
2632 1 85 LEU MD1 1 89 ARG HD3 . . 5.500 5.215 4.502 5.478 . 0 0 "[ . 1 . 2]" 1
2633 1 85 LEU MD2 1 86 SER H . . 5.100 4.558 4.424 4.700 . 0 0 "[ . 1 . 2]" 1
2634 1 85 LEU MD2 1 89 ARG HD2 . . 5.120 2.155 1.895 2.407 . 0 0 "[ . 1 . 2]" 1
2635 1 85 LEU MD2 1 89 ARG HD3 . . 5.500 2.667 1.998 2.997 . 0 0 "[ . 1 . 2]" 1
2636 1 85 LEU HG 1 86 SER H . . 5.090 4.930 4.887 4.974 . 0 0 "[ . 1 . 2]" 1
2637 1 85 LEU HG 1 89 ARG H . . 5.370 4.337 3.844 4.786 . 0 0 "[ . 1 . 2]" 1
2638 1 85 LEU HG 1 89 ARG HD2 . . 4.630 4.335 4.013 4.636 0.006 5 0 "[ . 1 . 2]" 1
2639 1 85 LEU HG 1 89 ARG HD3 . . 4.710 4.502 3.623 4.738 0.028 6 0 "[ . 1 . 2]" 1
2640 1 86 SER H 1 87 TYR H . . 3.270 2.787 2.726 2.867 . 0 0 "[ . 1 . 2]" 1
2641 1 86 SER H 1 87 TYR HB3 . . 5.000 4.937 4.908 4.967 . 0 0 "[ . 1 . 2]" 1
2642 1 86 SER HA 1 87 TYR H . . 3.560 3.520 3.485 3.553 . 0 0 "[ . 1 . 2]" 1
2643 1 86 SER HA 1 88 LEU H . . 5.340 5.044 4.849 5.135 . 0 0 "[ . 1 . 2]" 1
2644 1 86 SER HA 1 89 ARG H . . 4.260 3.988 3.764 4.211 . 0 0 "[ . 1 . 2]" 1
2645 1 86 SER HA 1 89 ARG HB2 . . 3.620 3.006 2.744 3.281 . 0 0 "[ . 1 . 2]" 1
2646 1 86 SER HA 1 89 ARG HB3 . . 4.810 4.364 3.982 4.630 . 0 0 "[ . 1 . 2]" 1
2647 1 86 SER HA 1 89 ARG HD3 . . 4.600 3.411 3.092 3.699 . 0 0 "[ . 1 . 2]" 1
2648 1 86 SER HA 1 89 ARG HG3 . . 5.500 4.614 4.061 5.446 . 0 0 "[ . 1 . 2]" 1
2649 1 87 TYR H 1 87 TYR HB2 . . 3.110 2.788 2.690 2.888 . 0 0 "[ . 1 . 2]" 1
2650 1 87 TYR H 1 87 TYR HB3 . . 3.210 2.377 2.364 2.402 . 0 0 "[ . 1 . 2]" 1
2651 1 87 TYR H 1 87 TYR QD . . 4.380 4.177 4.144 4.193 . 0 0 "[ . 1 . 2]" 1
2652 1 87 TYR H 1 88 LEU H . . 3.250 2.573 2.414 2.726 . 0 0 "[ . 1 . 2]" 1
2653 1 87 TYR H 1 88 LEU QD . . 5.030 3.545 3.357 4.138 . 0 0 "[ . 1 . 2]" 1
2654 1 87 TYR H 1 89 ARG HB2 . . 5.080 4.740 4.523 4.935 . 0 0 "[ . 1 . 2]" 1
2655 1 87 TYR HA 1 87 TYR HB2 . . 3.020 2.397 2.388 2.414 . 0 0 "[ . 1 . 2]" 1
2656 1 87 TYR HA 1 87 TYR QD . . 3.330 2.547 2.312 2.760 . 0 0 "[ . 1 . 2]" 1
2657 1 87 TYR HA 1 87 TYR QE . . 4.710 4.625 4.544 4.714 0.004 15 0 "[ . 1 . 2]" 1
2658 1 87 TYR HA 1 88 LEU HA . . 5.200 4.832 4.817 4.841 . 0 0 "[ . 1 . 2]" 1
2659 1 87 TYR HA 1 88 LEU QD . . 5.340 4.568 4.495 5.336 . 0 0 "[ . 1 . 2]" 1
2660 1 87 TYR HA 1 90 GLU H . . 4.100 3.330 3.212 3.566 . 0 0 "[ . 1 . 2]" 1
2661 1 87 TYR HA 1 90 GLU QB . . 3.490 3.022 2.867 3.162 . 0 0 "[ . 1 . 2]" 1
2662 1 87 TYR HA 1 90 GLU HG2 . . 4.910 4.461 3.638 4.827 . 0 0 "[ . 1 . 2]" 1
2663 1 87 TYR HA 1 90 GLU QG . . 4.320 3.937 3.222 4.288 . 0 0 "[ . 1 . 2]" 1
2664 1 87 TYR HA 1 90 GLU HG3 . . 4.910 4.411 3.596 4.831 . 0 0 "[ . 1 . 2]" 1
2665 1 87 TYR HB2 1 90 GLU QB . . 5.340 5.199 5.053 5.334 . 0 0 "[ . 1 . 2]" 1
2666 1 87 TYR HB3 1 88 LEU H . . 3.370 2.386 2.330 2.507 . 0 0 "[ . 1 . 2]" 1
2667 1 87 TYR HB3 1 88 LEU HA . . 4.800 4.335 4.301 4.359 . 0 0 "[ . 1 . 2]" 1
2668 1 87 TYR HB3 1 88 LEU QD . . 4.440 2.599 2.493 3.854 . 0 0 "[ . 1 . 2]" 1
2669 1 87 TYR HB3 1 88 LEU HG . . 5.260 4.788 3.245 4.908 . 0 0 "[ . 1 . 2]" 1
2670 1 87 TYR HB3 1 89 ARG H . . 5.080 4.795 4.663 5.081 0.001 20 0 "[ . 1 . 2]" 1
2671 1 87 TYR QD 1 88 LEU H . . 3.920 3.213 3.000 3.472 . 0 0 "[ . 1 . 2]" 1
2672 1 87 TYR QD 1 88 LEU HA . . 4.410 3.615 3.273 4.037 . 0 0 "[ . 1 . 2]" 1
2673 1 87 TYR QD 1 88 LEU QD . . 3.430 2.179 1.984 2.996 . 0 0 "[ . 1 . 2]" 1
2674 1 87 TYR QD 1 88 LEU HG . . 4.070 3.646 3.099 4.068 . 0 0 "[ . 1 . 2]" 1
2675 1 87 TYR QD 1 90 GLU QB . . 4.290 4.024 3.707 4.292 0.002 11 0 "[ . 1 . 2]" 1
2676 1 87 TYR QD 1 91 SER QB . . 4.950 3.960 3.342 4.333 . 0 0 "[ . 1 . 2]" 1
2677 1 87 TYR QE 1 88 LEU HA . . 5.140 4.470 4.222 4.734 . 0 0 "[ . 1 . 2]" 1
2678 1 87 TYR QE 1 88 LEU QD . . 3.880 3.827 3.732 3.883 0.003 11 0 "[ . 1 . 2]" 1
2679 1 87 TYR QE 1 88 LEU HG . . 5.500 4.565 4.315 5.088 . 0 0 "[ . 1 . 2]" 1
2680 1 87 TYR QE 1 90 GLU QB . . 5.340 5.134 4.885 5.303 . 0 0 "[ . 1 . 2]" 1
2681 1 87 TYR QE 1 91 SER HB2 . . 5.100 4.012 3.222 4.609 . 0 0 "[ . 1 . 2]" 1
2682 1 87 TYR QE 1 91 SER QB . . 4.450 3.755 3.066 4.282 . 0 0 "[ . 1 . 2]" 1
2683 1 87 TYR QE 1 91 SER HB3 . . 5.100 4.634 3.474 5.092 . 0 0 "[ . 1 . 2]" 1
2684 1 88 LEU H 1 88 LEU HB2 . . 3.700 2.352 2.330 2.632 . 0 0 "[ . 1 . 2]" 1
2685 1 88 LEU H 1 88 LEU HB3 . . 3.700 3.562 3.559 3.581 . 0 0 "[ . 1 . 2]" 1
2686 1 88 LEU H 1 88 LEU MD1 . . 4.010 1.944 1.878 3.088 . 0 0 "[ . 1 . 2]" 1
2687 1 88 LEU H 1 88 LEU QD . . 3.310 1.931 1.874 2.897 . 0 0 "[ . 1 . 2]" 1
2688 1 88 LEU H 1 88 LEU MD2 . . 4.010 3.926 3.508 3.964 . 0 0 "[ . 1 . 2]" 1
2689 1 88 LEU H 1 88 LEU HG . . 3.500 3.448 2.001 3.545 0.045 19 0 "[ . 1 . 2]" 1
2690 1 88 LEU HA 1 88 LEU MD1 . . 4.420 2.912 2.820 3.957 . 0 0 "[ . 1 . 2]" 1
2691 1 88 LEU HA 1 88 LEU QD . . 2.910 2.760 2.589 2.793 . 0 0 "[ . 1 . 2]" 1
2692 1 88 LEU HA 1 88 LEU MD2 . . 4.420 3.662 2.624 3.728 . 0 0 "[ . 1 . 2]" 1
2693 1 88 LEU HA 1 88 LEU HG . . 4.240 2.430 2.393 2.916 . 0 0 "[ . 1 . 2]" 1
2694 1 88 LEU HA 1 90 GLU H . . 4.360 4.231 3.977 4.351 . 0 0 "[ . 1 . 2]" 1
2695 1 88 LEU HA 1 91 SER H . . 4.240 3.956 3.027 4.225 . 0 0 "[ . 1 . 2]" 1
2696 1 88 LEU QB 1 88 LEU QD . . 2.580 1.878 1.791 1.892 . 0 0 "[ . 1 . 2]" 1
2697 1 88 LEU HB2 1 88 LEU MD1 . . 3.510 2.247 2.070 2.268 . 0 0 "[ . 1 . 2]" 1
2698 1 88 LEU HB2 1 88 LEU MD2 . . 3.510 2.487 2.433 3.113 . 0 0 "[ . 1 . 2]" 1
2699 1 88 LEU HB3 1 88 LEU MD1 . . 3.510 3.152 2.618 3.183 . 0 0 "[ . 1 . 2]" 1
2700 1 88 LEU HB3 1 88 LEU MD2 . . 3.510 2.173 2.052 2.212 . 0 0 "[ . 1 . 2]" 1
2701 1 88 LEU QD 1 89 ARG H . . 4.770 3.828 3.706 3.876 . 0 0 "[ . 1 . 2]" 1
2702 1 88 LEU QD 1 91 SER QB . . 5.280 4.249 3.894 4.693 . 0 0 "[ . 1 . 2]" 1
2703 1 88 LEU MD1 1 89 ARG H . . 5.490 4.017 3.930 4.044 . 0 0 "[ . 1 . 2]" 1
2704 1 88 LEU MD2 1 89 ARG H . . 5.490 4.823 4.539 4.970 . 0 0 "[ . 1 . 2]" 1
2705 1 89 ARG H 1 89 ARG HB2 . . 2.790 2.176 2.072 2.263 . 0 0 "[ . 1 . 2]" 1
2706 1 89 ARG H 1 89 ARG HB3 . . 3.590 3.469 3.345 3.536 . 0 0 "[ . 1 . 2]" 1
2707 1 89 ARG H 1 89 ARG HD2 . . 5.500 5.078 4.567 5.306 . 0 0 "[ . 1 . 2]" 1
2708 1 89 ARG H 1 89 ARG HD3 . . 4.490 4.248 3.981 4.513 0.023 3 0 "[ . 1 . 2]" 1
2709 1 89 ARG H 1 89 ARG HG2 . . 4.440 4.028 3.779 4.434 . 0 0 "[ . 1 . 2]" 1
2710 1 89 ARG H 1 89 ARG HG3 . . 3.780 3.041 2.671 3.439 . 0 0 "[ . 1 . 2]" 1
2711 1 89 ARG H 1 90 GLU QB . . 5.090 4.687 4.448 4.913 . 0 0 "[ . 1 . 2]" 1
2712 1 89 ARG HA 1 89 ARG HD2 . . 4.900 4.587 4.430 4.687 . 0 0 "[ . 1 . 2]" 1
2713 1 89 ARG HA 1 89 ARG HD3 . . 4.640 4.513 4.305 4.612 . 0 0 "[ . 1 . 2]" 1
2714 1 89 ARG HA 1 89 ARG HG2 . . 3.770 2.451 2.264 2.740 . 0 0 "[ . 1 . 2]" 1
2715 1 89 ARG HA 1 89 ARG HG3 . . 3.250 2.738 2.311 3.048 . 0 0 "[ . 1 . 2]" 1
2716 1 89 ARG HA 1 91 SER H . . 4.230 3.763 3.647 4.234 0.004 15 0 "[ . 1 . 2]" 1
2717 1 89 ARG HB2 1 89 ARG HD3 . . 3.880 2.520 2.132 2.692 . 0 0 "[ . 1 . 2]" 1
2718 1 89 ARG HB2 1 90 GLU H . . 3.460 2.986 2.849 3.226 . 0 0 "[ . 1 . 2]" 1
2719 1 89 ARG HB3 1 89 ARG HD2 . . 3.830 3.686 3.600 3.845 0.015 16 0 "[ . 1 . 2]" 1
2720 1 89 ARG HB3 1 89 ARG HD3 . . 3.470 3.003 2.706 3.479 0.009 5 0 "[ . 1 . 2]" 1
2721 1 89 ARG HB3 1 90 GLU HA . . 5.150 4.215 4.045 4.340 . 0 0 "[ . 1 . 2]" 1
2722 1 89 ARG HG3 1 90 GLU H . . 5.000 4.833 4.698 5.017 0.017 15 0 "[ . 1 . 2]" 1
2723 1 90 GLU H 1 90 GLU QB . . 2.860 2.457 2.364 2.549 . 0 0 "[ . 1 . 2]" 1
2724 1 90 GLU H 1 90 GLU HG2 . . 4.000 2.650 2.334 2.850 . 0 0 "[ . 1 . 2]" 1
2725 1 90 GLU H 1 90 GLU HG3 . . 4.000 3.787 3.199 3.960 . 0 0 "[ . 1 . 2]" 1
2726 1 90 GLU H 1 91 SER H . . 3.290 2.834 2.262 3.027 . 0 0 "[ . 1 . 2]" 1
2727 1 90 GLU HA 1 90 GLU QB . . 2.610 2.369 2.334 2.413 . 0 0 "[ . 1 . 2]" 1
2728 1 90 GLU HA 1 90 GLU HG2 . . 3.880 2.904 2.595 3.073 . 0 0 "[ . 1 . 2]" 1
2729 1 90 GLU HA 1 90 GLU QG . . 3.290 2.812 2.552 2.952 . 0 0 "[ . 1 . 2]" 1
2730 1 90 GLU HA 1 90 GLU HG3 . . 3.880 3.777 3.724 3.828 . 0 0 "[ . 1 . 2]" 1
2731 1 90 GLU HA 1 91 SER QB . . 5.340 4.789 4.495 5.263 . 0 0 "[ . 1 . 2]" 1
2732 1 90 GLU QB 1 91 SER H . . 4.030 3.759 2.946 3.869 . 0 0 "[ . 1 . 2]" 1
2733 1 90 GLU QB 1 91 SER HA . . 4.830 4.311 4.026 4.600 . 0 0 "[ . 1 . 2]" 1
2734 1 90 GLU QB 1 91 SER QB . . 5.180 4.291 3.631 4.808 . 0 0 "[ . 1 . 2]" 1
2735 1 90 GLU HB2 1 91 SER HA . . 5.500 4.877 4.405 5.269 . 0 0 "[ . 1 . 2]" 1
2736 1 90 GLU HB3 1 91 SER HA . . 5.500 4.814 4.658 5.071 . 0 0 "[ . 1 . 2]" 1
2737 1 91 SER H 1 91 SER HB2 . . 3.710 2.931 2.245 3.718 0.008 17 0 "[ . 1 . 2]" 1
2738 1 91 SER H 1 91 SER HB3 . . 3.710 3.041 2.223 3.694 . 0 0 "[ . 1 . 2]" 1
2739 1 91 SER H 1 92 SER H . . 4.430 3.739 2.121 4.429 . 0 0 "[ . 1 . 2]" 1
2740 1 91 SER QB 1 92 SER HA . . 5.340 4.403 3.936 5.126 . 0 0 "[ . 1 . 2]" 1
2741 1 92 SER H 1 92 SER QB . . 3.620 2.885 2.104 3.315 . 0 0 "[ . 1 . 2]" 1
2742 1 92 SER HB2 1 93 SER H . . 5.260 4.000 2.731 4.658 . 0 0 "[ . 1 . 2]" 1
2743 1 92 SER HB3 1 93 SER H . . 5.260 3.728 2.120 4.655 . 0 0 "[ . 1 . 2]" 1
2744 1 93 SER HB2 1 94 GLY H . . 5.500 3.872 2.096 4.639 . 0 0 "[ . 1 . 2]" 1
2745 1 93 SER HB3 1 94 GLY H . . 5.500 3.560 2.221 4.471 . 0 0 "[ . 1 . 2]" 1
2746 1 94 GLY QA 1 95 PRO QD . . 2.820 2.031 1.965 2.166 . 0 0 "[ . 1 . 2]" 1
2747 1 94 GLY QA 1 95 PRO QG . . 4.510 3.721 3.676 3.964 . 0 0 "[ . 1 . 2]" 1
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