NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483396 |
1x6c   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6c
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 2108
_Distance_constraint_stats_list.Viol_count 2654
_Distance_constraint_stats_list.Viol_total 2850.167
_Distance_constraint_stats_list.Viol_max 0.839
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0537
_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 6 SER 0.002 0.002 5 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TRP 1.130 0.069 18 0 "[ . 1 . 2]"
1 9 TYR 0.565 0.069 18 0 "[ . 1 . 2]"
1 10 HIS 2.754 0.123 18 0 "[ . 1 . 2]"
1 11 GLY 0.001 0.001 12 0 "[ . 1 . 2]"
1 12 HIS 0.043 0.024 3 0 "[ . 1 . 2]"
1 13 MET 9.040 0.496 17 0 "[ . 1 . 2]"
1 14 SER 0.190 0.042 19 0 "[ . 1 . 2]"
1 15 GLY 0.108 0.029 10 0 "[ . 1 . 2]"
1 16 GLY 0.314 0.039 19 0 "[ . 1 . 2]"
1 17 GLN 1.343 0.218 15 0 "[ . 1 . 2]"
1 18 ALA 4.618 0.536 4 1 "[ +. 1 . 2]"
1 19 GLU 2.498 0.536 4 1 "[ +. 1 . 2]"
1 20 THR 0.480 0.071 4 0 "[ . 1 . 2]"
1 21 LEU 12.749 0.209 19 0 "[ . 1 . 2]"
1 22 LEU 1.065 0.059 16 0 "[ . 1 . 2]"
1 23 GLN 1.302 0.201 19 0 "[ . 1 . 2]"
1 24 ALA 0.071 0.015 15 0 "[ . 1 . 2]"
1 25 LYS 1.990 0.424 6 0 "[ . 1 . 2]"
1 26 GLY 1.694 0.333 6 0 "[ . 1 . 2]"
1 27 GLU 3.412 0.424 6 0 "[ . 1 . 2]"
1 28 PRO 2.186 0.124 15 0 "[ . 1 . 2]"
1 29 TRP 3.487 0.116 19 0 "[ . 1 . 2]"
1 30 THR 11.843 0.324 20 0 "[ . 1 . 2]"
1 31 PHE 3.187 0.108 11 0 "[ . 1 . 2]"
1 32 LEU 5.990 0.123 18 0 "[ . 1 . 2]"
1 33 VAL 1.256 0.037 15 0 "[ . 1 . 2]"
1 34 ARG 1.654 0.496 17 0 "[ . 1 . 2]"
1 35 GLU 6.164 0.384 11 0 "[ . 1 . 2]"
1 36 SER 1.930 0.291 4 0 "[ . 1 . 2]"
1 37 LEU 0.308 0.075 20 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 2.029 0.544 1 1 "[+ . 1 . 2]"
1 40 PRO 1.165 0.219 2 0 "[ . 1 . 2]"
1 41 GLY 0.781 0.112 4 0 "[ . 1 . 2]"
1 42 ASP 1.624 0.544 1 1 "[+ . 1 . 2]"
1 43 PHE 0.252 0.028 1 0 "[ . 1 . 2]"
1 44 VAL 0.690 0.037 15 0 "[ . 1 . 2]"
1 45 LEU 2.410 0.058 3 0 "[ . 1 . 2]"
1 46 SER 1.112 0.058 3 0 "[ . 1 . 2]"
1 47 VAL 3.437 0.095 18 0 "[ . 1 . 2]"
1 48 LEU 2.437 0.084 17 0 "[ . 1 . 2]"
1 49 SER 0.230 0.046 4 0 "[ . 1 . 2]"
1 50 ASP 5.622 0.620 7 4 "[ . + - * * 2]"
1 51 GLN 7.832 0.620 7 4 "[ . + - * * 2]"
1 52 PRO 2.065 0.104 2 0 "[ . 1 . 2]"
1 53 LYS 0.544 0.037 15 0 "[ . 1 . 2]"
1 54 ALA 1.493 0.104 2 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.275 0.074 2 0 "[ . 1 . 2]"
1 59 PRO 0.353 0.128 2 0 "[ . 1 . 2]"
1 60 LEU 3.038 0.128 2 0 "[ . 1 . 2]"
1 61 ARG 6.437 0.363 3 0 "[ . 1 . 2]"
1 62 VAL 4.184 0.363 3 0 "[ . 1 . 2]"
1 63 THR 0.412 0.034 10 0 "[ . 1 . 2]"
1 64 HIS 0.625 0.038 12 0 "[ . 1 . 2]"
1 65 ILE 1.459 0.056 12 0 "[ . 1 . 2]"
1 66 LYS 0.051 0.012 15 0 "[ . 1 . 2]"
1 67 VAL 0.164 0.016 2 0 "[ . 1 . 2]"
1 68 MET 0.302 0.036 19 0 "[ . 1 . 2]"
1 69 CYS 0.579 0.106 14 0 "[ . 1 . 2]"
1 70 GLU 0.258 0.071 16 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 3.217 0.523 11 2 "[ - . 1+ . 2]"
1 74 TYR 0.287 0.017 2 0 "[ . 1 . 2]"
1 75 THR 0.443 0.030 2 0 "[ . 1 . 2]"
1 76 VAL 0.126 0.013 19 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 3.320 0.788 3 1 "[ + . 1 . 2]"
1 79 LEU 1.074 0.788 3 1 "[ + . 1 . 2]"
1 80 GLU 14.662 0.700 3 3 "[*-+ . 1 . 2]"
1 81 THR 6.842 0.700 3 3 "[*-+ . 1 . 2]"
1 82 PHE 6.615 0.336 2 0 "[ . 1 . 2]"
1 83 ASP 3.033 0.589 16 1 "[ . 1 .+ 2]"
1 84 SER 4.972 0.589 16 1 "[ . 1 .+ 2]"
1 85 LEU 1.258 0.282 13 0 "[ . 1 . 2]"
1 86 THR 0.592 0.177 15 0 "[ . 1 . 2]"
1 87 ASP 0.196 0.024 9 0 "[ . 1 . 2]"
1 88 LEU 0.388 0.035 2 0 "[ . 1 . 2]"
1 89 VAL 1.216 0.277 17 0 "[ . 1 . 2]"
1 90 GLU 0.566 0.277 17 0 "[ . 1 . 2]"
1 91 HIS 1.124 0.288 8 0 "[ . 1 . 2]"
1 92 PHE 2.324 0.121 14 0 "[ . 1 . 2]"
1 93 LYS 0.930 0.226 2 0 "[ . 1 . 2]"
1 94 LYS 6.971 0.839 8 5 "[ -. + 1 ** . *]"
1 95 THR 6.284 0.839 8 5 "[ -. + 1 ** . *]"
1 96 GLY 0.197 0.034 1 0 "[ . 1 . 2]"
1 97 ILE 0.996 0.042 7 0 "[ . 1 . 2]"
1 98 GLU 0.428 0.042 7 0 "[ . 1 . 2]"
1 99 GLU 0.073 0.020 19 0 "[ . 1 . 2]"
1 100 ALA 4.250 0.775 1 6 "[+ *-* * * . 2]"
1 101 SER 4.606 0.775 1 6 "[+ *-* * * . 2]"
1 102 GLY 0.002 0.002 20 0 "[ . 1 . 2]"
1 103 ALA 0.227 0.091 4 0 "[ . 1 . 2]"
1 104 PHE 0.174 0.020 20 0 "[ . 1 . 2]"
1 105 VAL 1.537 0.116 19 0 "[ . 1 . 2]"
1 106 TYR 8.052 0.598 16 2 "[ . 1 -+ 2]"
1 107 LEU 1.448 0.094 16 0 "[ . 1 . 2]"
1 108 ARG 7.890 0.598 16 2 "[ . 1 -+ 2]"
1 109 GLN 10.191 0.324 20 0 "[ . 1 . 2]"
1 110 PRO 3.953 0.151 6 0 "[ . 1 . 2]"
1 111 TYR 7.487 0.394 18 0 "[ . 1 . 2]"
1 112 TYR 0.864 0.284 12 0 "[ . 1 . 2]"
1 113 SER 1.345 0.394 18 0 "[ . 1 . 2]"
1 114 GLY 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 6 SER HA 1 8 TRP HE1 . . 5.500 3.635 2.557 5.182 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER QB 1 7 GLY QA . . 4.540 3.809 3.463 4.463 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER QB 1 8 TRP H . . 4.620 3.553 2.846 4.620 . 8 0 "[ . 1 . 2]" 1
4 1 6 SER QB 1 8 TRP HE1 . . 5.450 2.748 1.881 4.141 . 0 0 "[ . 1 . 2]" 1
5 1 6 SER QB 1 8 TRP HH2 . . 4.770 3.969 2.903 4.772 0.002 5 0 "[ . 1 . 2]" 1
6 1 6 SER QB 1 9 TYR H . . 5.500 4.515 2.801 5.396 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY QA 1 8 TRP H . . 3.510 2.548 2.235 2.842 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY QA 1 9 TYR H . . 4.800 3.488 3.008 4.216 . 0 0 "[ . 1 . 2]" 1
9 1 8 TRP H 1 8 TRP HD1 . . 4.470 3.849 2.646 4.437 . 0 0 "[ . 1 . 2]" 1
10 1 8 TRP H 1 9 TYR H . . 3.980 1.966 1.852 2.910 . 0 0 "[ . 1 . 2]" 1
11 1 8 TRP H 1 110 PRO HB3 . . 5.500 5.091 3.696 5.513 0.013 11 0 "[ . 1 . 2]" 1
12 1 8 TRP HA 1 33 VAL H . . 5.500 4.265 3.980 4.542 . 0 0 "[ . 1 . 2]" 1
13 1 8 TRP HB2 1 8 TRP HD1 . . 3.750 3.731 3.622 3.805 0.055 8 0 "[ . 1 . 2]" 1
14 1 8 TRP HB2 1 8 TRP HE3 . . 4.020 2.735 2.591 2.932 . 0 0 "[ . 1 . 2]" 1
15 1 8 TRP HB2 1 9 TYR H . . 5.400 3.563 3.240 4.047 . 0 0 "[ . 1 . 2]" 1
16 1 8 TRP HB2 1 32 LEU HA . . 4.220 2.402 2.163 2.638 . 0 0 "[ . 1 . 2]" 1
17 1 8 TRP HB2 1 33 VAL H . . 5.170 2.277 2.108 2.614 . 0 0 "[ . 1 . 2]" 1
18 1 8 TRP HB2 1 33 VAL MG2 . . 4.360 2.436 2.273 2.925 . 0 0 "[ . 1 . 2]" 1
19 1 8 TRP HB2 1 110 PRO HB2 . . 4.680 3.752 3.556 4.231 . 0 0 "[ . 1 . 2]" 1
20 1 8 TRP HB2 1 111 TYR H . . 5.500 4.195 3.916 4.545 . 0 0 "[ . 1 . 2]" 1
21 1 8 TRP HB3 1 8 TRP HD1 . . 3.360 2.638 2.603 2.681 . 0 0 "[ . 1 . 2]" 1
22 1 8 TRP HB3 1 32 LEU HA . . 4.530 3.165 2.809 3.710 . 0 0 "[ . 1 . 2]" 1
23 1 8 TRP HB3 1 33 VAL H . . 5.420 3.908 3.746 4.253 . 0 0 "[ . 1 . 2]" 1
24 1 8 TRP HB3 1 33 VAL MG2 . . 4.660 3.874 3.702 4.315 . 0 0 "[ . 1 . 2]" 1
25 1 8 TRP HB3 1 110 PRO HA . . 4.280 3.687 3.319 4.009 . 0 0 "[ . 1 . 2]" 1
26 1 8 TRP HB3 1 110 PRO HB2 . . 4.050 2.095 1.994 2.548 . 0 0 "[ . 1 . 2]" 1
27 1 8 TRP HB3 1 110 PRO HB3 . . 3.820 2.078 1.976 2.357 . 0 0 "[ . 1 . 2]" 1
28 1 8 TRP HB3 1 110 PRO HG2 . . 4.560 3.966 3.655 4.439 . 0 0 "[ . 1 . 2]" 1
29 1 8 TRP HB3 1 110 PRO HG3 . . 4.580 3.740 3.241 3.964 . 0 0 "[ . 1 . 2]" 1
30 1 8 TRP HB3 1 111 TYR H . . 5.080 3.346 2.931 3.983 . 0 0 "[ . 1 . 2]" 1
31 1 8 TRP HD1 1 31 PHE QE . . 3.910 3.299 3.167 3.396 . 0 0 "[ . 1 . 2]" 1
32 1 8 TRP HD1 1 89 VAL MG1 . . 4.110 3.816 3.431 4.050 . 0 0 "[ . 1 . 2]" 1
33 1 8 TRP HD1 1 110 PRO HA . . 4.640 4.552 4.360 4.665 0.025 18 0 "[ . 1 . 2]" 1
34 1 8 TRP HD1 1 110 PRO HB2 . . 4.080 3.095 2.695 3.615 . 0 0 "[ . 1 . 2]" 1
35 1 8 TRP HD1 1 110 PRO HB3 . . 3.630 2.278 2.075 2.503 . 0 0 "[ . 1 . 2]" 1
36 1 8 TRP HD1 1 110 PRO HG2 . . 3.790 3.336 3.061 3.793 0.003 2 0 "[ . 1 . 2]" 1
37 1 8 TRP HD1 1 110 PRO HG3 . . 4.540 2.186 1.999 2.486 . 0 0 "[ . 1 . 2]" 1
38 1 8 TRP HE1 1 31 PHE QE . . 5.430 3.994 3.801 4.248 . 0 0 "[ . 1 . 2]" 1
39 1 8 TRP HE1 1 86 THR MG . . 5.500 4.161 3.548 4.705 . 0 0 "[ . 1 . 2]" 1
40 1 8 TRP HE1 1 89 VAL MG1 . . 4.860 3.139 2.852 3.408 . 0 0 "[ . 1 . 2]" 1
41 1 8 TRP HE3 1 9 TYR H . . 4.900 2.206 2.099 2.434 . 0 0 "[ . 1 . 2]" 1
42 1 8 TRP HE3 1 9 TYR HA . . 4.030 2.728 2.493 2.885 . 0 0 "[ . 1 . 2]" 1
43 1 8 TRP HE3 1 9 TYR HB2 . . 4.470 2.714 2.612 2.817 . 0 0 "[ . 1 . 2]" 1
44 1 8 TRP HE3 1 9 TYR HB3 . . 4.690 3.998 3.932 4.118 . 0 0 "[ . 1 . 2]" 1
45 1 8 TRP HE3 1 9 TYR QD . . 4.020 3.730 3.310 4.025 0.005 10 0 "[ . 1 . 2]" 1
46 1 8 TRP HE3 1 10 HIS H . . 5.500 4.662 4.398 4.788 . 0 0 "[ . 1 . 2]" 1
47 1 8 TRP HE3 1 33 VAL H . . 4.290 2.984 2.607 3.316 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP HE3 1 33 VAL HB . . 3.340 2.066 1.988 2.283 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP HE3 1 33 VAL MG1 . . 4.090 3.476 3.348 3.598 . 0 0 "[ . 1 . 2]" 1
50 1 8 TRP HE3 1 33 VAL MG2 . . 3.390 2.106 1.911 2.538 . 0 0 "[ . 1 . 2]" 1
51 1 8 TRP HH2 1 33 VAL MG2 . . 3.780 3.757 3.556 3.816 0.036 19 0 "[ . 1 . 2]" 1
52 1 8 TRP HH2 1 85 LEU HB2 . . 3.850 3.262 2.789 3.623 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HH2 1 85 LEU HB3 . . 3.770 2.817 2.442 3.239 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP HH2 1 86 THR H . . 4.290 3.039 2.765 3.432 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP HH2 1 86 THR HA . . 3.440 2.976 2.518 3.325 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP HH2 1 86 THR HB . . 4.550 4.206 3.934 4.525 . 0 0 "[ . 1 . 2]" 1
57 1 8 TRP HH2 1 86 THR MG . . 4.700 4.094 3.479 4.628 . 0 0 "[ . 1 . 2]" 1
58 1 8 TRP HZ2 1 86 THR HA . . 3.000 2.276 1.997 2.662 . 0 0 "[ . 1 . 2]" 1
59 1 8 TRP HZ2 1 86 THR HB . . 4.500 4.227 3.930 4.529 0.029 20 0 "[ . 1 . 2]" 1
60 1 8 TRP HZ2 1 86 THR MG . . 3.380 2.731 2.116 3.380 0.000 18 0 "[ . 1 . 2]" 1
61 1 8 TRP HZ2 1 89 VAL HB . . 3.850 3.564 3.248 3.855 0.005 2 0 "[ . 1 . 2]" 1
62 1 8 TRP HZ2 1 89 VAL MG1 . . 3.800 3.804 3.769 3.816 0.016 13 0 "[ . 1 . 2]" 1
63 1 8 TRP HZ2 1 89 VAL MG2 . . 4.660 4.183 3.699 4.523 . 0 0 "[ . 1 . 2]" 1
64 1 8 TRP HZ3 1 9 TYR HB2 . . 4.200 2.704 2.520 2.793 . 0 0 "[ . 1 . 2]" 1
65 1 8 TRP HZ3 1 9 TYR HB3 . . 4.410 4.414 4.260 4.479 0.069 18 0 "[ . 1 . 2]" 1
66 1 8 TRP HZ3 1 33 VAL H . . 5.500 5.083 4.790 5.336 . 0 0 "[ . 1 . 2]" 1
67 1 8 TRP HZ3 1 33 VAL HB . . 4.000 3.002 2.706 3.275 . 0 0 "[ . 1 . 2]" 1
68 1 8 TRP HZ3 1 33 VAL MG1 . . 3.500 2.842 2.660 3.007 . 0 0 "[ . 1 . 2]" 1
69 1 8 TRP HZ3 1 33 VAL MG2 . . 3.510 2.531 2.317 2.679 . 0 0 "[ . 1 . 2]" 1
70 1 9 TYR H 1 9 TYR HB2 . . 3.910 2.192 2.070 2.291 . 0 0 "[ . 1 . 2]" 1
71 1 9 TYR H 1 9 TYR HB3 . . 3.720 2.470 2.356 2.632 . 0 0 "[ . 1 . 2]" 1
72 1 9 TYR H 1 9 TYR QD . . 4.870 4.025 3.928 4.068 . 0 0 "[ . 1 . 2]" 1
73 1 9 TYR H 1 10 HIS H . . 5.420 4.363 4.326 4.413 . 0 0 "[ . 1 . 2]" 1
74 1 9 TYR HA 1 9 TYR QD . . 3.360 2.793 2.421 2.993 . 0 0 "[ . 1 . 2]" 1
75 1 9 TYR HA 1 10 HIS H . . 3.500 2.228 2.210 2.244 . 0 0 "[ . 1 . 2]" 1
76 1 9 TYR HA 1 33 VAL H . . 4.650 3.195 3.037 3.439 . 0 0 "[ . 1 . 2]" 1
77 1 9 TYR HA 1 33 VAL HB . . 4.080 2.180 1.991 2.386 . 0 0 "[ . 1 . 2]" 1
78 1 9 TYR HB2 1 33 VAL H . . 5.500 5.036 4.781 5.347 . 0 0 "[ . 1 . 2]" 1
79 1 9 TYR HB3 1 10 HIS H . . 5.440 4.459 4.407 4.500 . 0 0 "[ . 1 . 2]" 1
80 1 9 TYR QD 1 10 HIS H . . 4.900 4.200 3.813 4.269 . 0 0 "[ . 1 . 2]" 1
81 1 9 TYR QD 1 33 VAL H . . 5.500 5.044 4.812 5.254 . 0 0 "[ . 1 . 2]" 1
82 1 9 TYR QD 1 33 VAL HB . . 3.420 2.724 2.527 2.972 . 0 0 "[ . 1 . 2]" 1
83 1 9 TYR QD 1 33 VAL MG1 . . 3.290 2.351 1.969 2.768 . 0 0 "[ . 1 . 2]" 1
84 1 9 TYR QD 1 33 VAL MG2 . . 4.010 3.924 3.671 4.030 0.020 18 0 "[ . 1 . 2]" 1
85 1 9 TYR QE 1 10 HIS H . . 5.500 5.461 5.229 5.520 0.020 20 0 "[ . 1 . 2]" 1
86 1 9 TYR QE 1 11 GLY HA2 . . 3.690 2.650 2.373 2.972 . 0 0 "[ . 1 . 2]" 1
87 1 9 TYR QE 1 11 GLY HA3 . . 3.910 3.673 3.458 3.911 0.001 12 0 "[ . 1 . 2]" 1
88 1 9 TYR QE 1 33 VAL MG1 . . 3.500 3.322 3.038 3.508 0.008 2 0 "[ . 1 . 2]" 1
89 1 10 HIS H 1 10 HIS HB2 . . 4.030 2.355 2.300 2.435 . 0 0 "[ . 1 . 2]" 1
90 1 10 HIS H 1 10 HIS HD2 . . 4.780 2.743 2.503 3.118 . 0 0 "[ . 1 . 2]" 1
91 1 10 HIS H 1 11 GLY H . . 4.500 2.413 2.248 2.646 . 0 0 "[ . 1 . 2]" 1
92 1 10 HIS H 1 32 LEU HB2 . . 5.280 4.453 4.303 4.684 . 0 0 "[ . 1 . 2]" 1
93 1 10 HIS H 1 32 LEU MD1 . . 5.500 3.462 3.147 3.962 . 0 0 "[ . 1 . 2]" 1
94 1 10 HIS H 1 33 VAL H . . 4.970 3.761 3.595 3.907 . 0 0 "[ . 1 . 2]" 1
95 1 10 HIS H 1 33 VAL HB . . 5.120 3.929 3.657 4.095 . 0 0 "[ . 1 . 2]" 1
96 1 10 HIS H 1 33 VAL MG1 . . 5.500 4.678 4.433 4.903 . 0 0 "[ . 1 . 2]" 1
97 1 10 HIS H 1 34 ARG HA . . 4.590 3.282 3.061 3.571 . 0 0 "[ . 1 . 2]" 1
98 1 10 HIS HB2 1 10 HIS HD2 . . 3.930 2.834 2.745 2.901 . 0 0 "[ . 1 . 2]" 1
99 1 10 HIS HB2 1 13 MET ME . . 3.930 2.700 2.350 3.288 . 0 0 "[ . 1 . 2]" 1
100 1 10 HIS HB2 1 32 LEU MD1 . . 4.310 3.135 2.830 3.586 . 0 0 "[ . 1 . 2]" 1
101 1 10 HIS HB2 1 32 LEU MD2 . . 4.870 4.500 4.027 4.879 0.009 11 0 "[ . 1 . 2]" 1
102 1 10 HIS HB2 1 33 VAL H . . 5.420 5.318 5.167 5.448 0.028 19 0 "[ . 1 . 2]" 1
103 1 10 HIS HB3 1 13 MET ME . . 3.140 2.144 1.962 2.527 . 0 0 "[ . 1 . 2]" 1
104 1 10 HIS HB3 1 32 LEU MD1 . . 4.660 4.271 3.879 4.662 0.002 18 0 "[ . 1 . 2]" 1
105 1 10 HIS HD2 1 32 LEU H . . 5.500 5.546 5.515 5.600 0.100 20 0 "[ . 1 . 2]" 1
106 1 10 HIS HD2 1 32 LEU HA . . 4.270 3.739 3.542 4.095 . 0 0 "[ . 1 . 2]" 1
107 1 10 HIS HD2 1 32 LEU HB2 . . 3.170 1.959 1.941 1.979 . 0 0 "[ . 1 . 2]" 1
108 1 10 HIS HD2 1 32 LEU HB3 . . 3.570 3.652 3.589 3.693 0.123 18 0 "[ . 1 . 2]" 1
109 1 10 HIS HD2 1 32 LEU MD1 . . 4.390 1.930 1.800 2.318 . 0 0 "[ . 1 . 2]" 1
110 1 10 HIS HD2 1 32 LEU MD2 . . 4.220 3.158 2.735 3.502 . 0 0 "[ . 1 . 2]" 1
111 1 10 HIS HD2 1 33 VAL H . . 4.050 3.289 2.909 3.724 . 0 0 "[ . 1 . 2]" 1
112 1 10 HIS HE1 1 111 TYR QD . . 3.540 2.776 2.237 3.077 . 0 0 "[ . 1 . 2]" 1
113 1 10 HIS HE1 1 111 TYR QE . . 3.930 3.609 3.020 3.948 0.018 1 0 "[ . 1 . 2]" 1
114 1 10 HIS HE1 1 113 SER HA . . 4.220 3.877 2.528 4.244 0.024 2 0 "[ . 1 . 2]" 1
115 1 10 HIS HE1 1 113 SER HB2 . . 4.540 3.165 1.986 4.410 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLY HA2 1 35 GLU H . . 5.010 3.874 3.328 4.981 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLY HA3 1 35 GLU H . . 5.430 4.725 4.329 5.396 . 0 0 "[ . 1 . 2]" 1
118 1 12 HIS HA 1 12 HIS HD2 . . 4.180 3.082 1.997 4.173 . 0 0 "[ . 1 . 2]" 1
119 1 12 HIS HA 1 13 MET H . . 3.310 2.308 2.213 2.366 . 0 0 "[ . 1 . 2]" 1
120 1 12 HIS HA 1 35 GLU H . . 4.370 2.903 2.099 3.463 . 0 0 "[ . 1 . 2]" 1
121 1 12 HIS HA 1 35 GLU HB2 . . 4.190 2.582 1.991 3.526 . 0 0 "[ . 1 . 2]" 1
122 1 12 HIS HA 1 35 GLU HB3 . . 4.270 3.001 2.250 3.851 . 0 0 "[ . 1 . 2]" 1
123 1 12 HIS HA 1 37 LEU QD . . 4.460 3.296 2.372 3.946 . 0 0 "[ . 1 . 2]" 1
124 1 12 HIS HB2 1 13 MET H . . 5.080 4.592 4.192 4.734 . 0 0 "[ . 1 . 2]" 1
125 1 12 HIS HB2 1 37 LEU QD . . 4.440 3.741 2.029 4.309 . 0 0 "[ . 1 . 2]" 1
126 1 12 HIS HB3 1 12 HIS HD2 . . 3.980 3.243 2.725 4.000 0.020 19 0 "[ . 1 . 2]" 1
127 1 12 HIS HB3 1 13 MET H . . 4.690 4.279 4.023 4.714 0.024 3 0 "[ . 1 . 2]" 1
128 1 12 HIS HB3 1 37 LEU QD . . 4.280 2.940 1.976 4.144 . 0 0 "[ . 1 . 2]" 1
129 1 12 HIS HD2 1 37 LEU QD . . 4.180 2.832 1.905 3.985 . 0 0 "[ . 1 . 2]" 1
130 1 13 MET H 1 13 MET HB2 . . 3.950 2.771 2.297 3.011 . 0 0 "[ . 1 . 2]" 1
131 1 13 MET H 1 13 MET HB3 . . 3.920 2.575 2.459 2.793 . 0 0 "[ . 1 . 2]" 1
132 1 13 MET H 1 13 MET ME . . 4.960 5.001 4.917 5.037 0.077 7 0 "[ . 1 . 2]" 1
133 1 13 MET H 1 13 MET HG2 . . 4.700 4.587 4.281 4.772 0.072 14 0 "[ . 1 . 2]" 1
134 1 13 MET H 1 13 MET HG3 . . 4.970 4.498 4.390 4.653 . 0 0 "[ . 1 . 2]" 1
135 1 13 MET H 1 14 SER H . . 5.170 4.529 4.430 4.609 . 0 0 "[ . 1 . 2]" 1
136 1 13 MET H 1 34 ARG HB3 . . 5.160 3.754 2.901 4.315 . 0 0 "[ . 1 . 2]" 1
137 1 13 MET H 1 35 GLU H . . 4.730 2.888 2.286 3.487 . 0 0 "[ . 1 . 2]" 1
138 1 13 MET H 1 37 LEU QD . . 4.710 3.740 2.840 4.383 . 0 0 "[ . 1 . 2]" 1
139 1 13 MET HA 1 13 MET HG2 . . 3.710 3.476 2.959 3.800 0.090 8 0 "[ . 1 . 2]" 1
140 1 13 MET HA 1 13 MET HG3 . . 4.050 2.667 2.327 3.079 . 0 0 "[ . 1 . 2]" 1
141 1 13 MET HA 1 14 SER H . . 3.120 2.335 2.221 2.445 . 0 0 "[ . 1 . 2]" 1
142 1 13 MET HA 1 17 GLN HB3 . . 5.090 4.757 4.451 5.054 . 0 0 "[ . 1 . 2]" 1
143 1 13 MET HB2 1 13 MET ME . . 3.090 2.668 2.465 3.019 . 0 0 "[ . 1 . 2]" 1
144 1 13 MET HB2 1 14 SER H . . 4.590 4.161 4.011 4.302 . 0 0 "[ . 1 . 2]" 1
145 1 13 MET HB2 1 34 ARG HB3 . . 4.660 3.074 2.322 3.543 . 0 0 "[ . 1 . 2]" 1
146 1 13 MET HB3 1 13 MET ME . . 3.790 3.530 3.270 3.743 . 0 0 "[ . 1 . 2]" 1
147 1 13 MET HB3 1 14 SER H . . 4.910 3.882 3.372 4.289 . 0 0 "[ . 1 . 2]" 1
148 1 13 MET HB3 1 34 ARG HB3 . . 4.300 2.407 1.998 2.823 . 0 0 "[ . 1 . 2]" 1
149 1 13 MET HB3 1 34 ARG HD2 . . 4.500 2.134 1.987 2.659 . 0 0 "[ . 1 . 2]" 1
150 1 13 MET ME 1 13 MET HG2 . . 3.010 2.558 2.018 3.313 0.303 4 0 "[ . 1 . 2]" 1
151 1 13 MET ME 1 13 MET HG3 . . 3.090 2.806 2.098 3.290 0.200 19 0 "[ . 1 . 2]" 1
152 1 13 MET ME 1 14 SER H . . 4.750 4.637 4.171 4.792 0.042 19 0 "[ . 1 . 2]" 1
153 1 13 MET ME 1 17 GLN HE21 . . 5.500 3.709 3.010 4.209 . 0 0 "[ . 1 . 2]" 1
154 1 13 MET ME 1 17 GLN HE22 . . 5.500 4.723 4.018 5.282 . 0 0 "[ . 1 . 2]" 1
155 1 13 MET ME 1 18 ALA H . . 4.690 4.457 4.258 4.660 . 0 0 "[ . 1 . 2]" 1
156 1 13 MET ME 1 18 ALA HA . . 3.840 3.537 3.210 3.820 . 0 0 "[ . 1 . 2]" 1
157 1 13 MET ME 1 18 ALA MB . . 3.770 3.744 3.548 3.811 0.041 14 0 "[ . 1 . 2]" 1
158 1 13 MET ME 1 21 LEU MD1 . . 3.380 2.636 2.274 2.954 . 0 0 "[ . 1 . 2]" 1
159 1 13 MET ME 1 21 LEU MD2 . . 2.730 1.860 1.732 2.132 . 0 0 "[ . 1 . 2]" 1
160 1 13 MET HG2 1 14 SER H . . 4.170 3.267 2.184 4.129 . 0 0 "[ . 1 . 2]" 1
161 1 13 MET HG2 1 18 ALA H . . 4.230 3.097 2.565 3.499 . 0 0 "[ . 1 . 2]" 1
162 1 13 MET HG2 1 18 ALA HA . . 4.760 3.667 3.198 4.205 . 0 0 "[ . 1 . 2]" 1
163 1 13 MET HG2 1 18 ALA MB . . 4.100 2.883 2.505 3.091 . 0 0 "[ . 1 . 2]" 1
164 1 13 MET HG3 1 14 SER H . . 4.420 2.397 1.940 3.048 . 0 0 "[ . 1 . 2]" 1
165 1 13 MET HG3 1 17 GLN H . . 5.320 4.879 4.344 5.538 0.218 15 0 "[ . 1 . 2]" 1
166 1 13 MET HG3 1 17 GLN HB3 . . 3.760 2.702 2.436 3.053 . 0 0 "[ . 1 . 2]" 1
167 1 13 MET HG3 1 18 ALA H . . 4.120 3.437 2.600 4.015 . 0 0 "[ . 1 . 2]" 1
168 1 13 MET HG3 1 18 ALA HA . . 4.710 4.390 3.908 4.737 0.027 12 0 "[ . 1 . 2]" 1
169 1 13 MET HG3 1 18 ALA MB . . 3.950 3.770 2.782 4.123 0.173 12 0 "[ . 1 . 2]" 1
170 1 13 MET HG3 1 34 ARG HD2 . . 4.650 3.934 3.001 5.146 0.496 17 0 "[ . 1 . 2]" 1
171 1 14 SER H 1 14 SER HB2 . . 3.870 2.660 2.060 3.568 . 0 0 "[ . 1 . 2]" 1
172 1 14 SER H 1 17 GLN H . . 4.740 4.199 4.005 4.460 . 0 0 "[ . 1 . 2]" 1
173 1 14 SER H 1 17 GLN HB2 . . 3.960 2.834 2.672 3.079 . 0 0 "[ . 1 . 2]" 1
174 1 14 SER H 1 17 GLN HB3 . . 4.390 3.216 2.885 3.449 . 0 0 "[ . 1 . 2]" 1
175 1 14 SER H 1 18 ALA H . . 5.500 4.202 3.749 4.472 . 0 0 "[ . 1 . 2]" 1
176 1 14 SER H 1 37 LEU QD . . 5.260 3.675 2.895 4.212 . 0 0 "[ . 1 . 2]" 1
177 1 14 SER HA 1 17 GLN H . . 5.400 4.386 4.311 4.489 . 0 0 "[ . 1 . 2]" 1
178 1 14 SER HA 1 37 LEU QD . . 3.780 2.396 1.968 3.057 . 0 0 "[ . 1 . 2]" 1
179 1 14 SER HB2 1 15 GLY H . . 4.740 4.185 3.541 4.546 . 0 0 "[ . 1 . 2]" 1
180 1 14 SER HB2 1 37 LEU QD . . 4.030 3.092 2.127 4.059 0.029 14 0 "[ . 1 . 2]" 1
181 1 14 SER HB3 1 15 GLY H . . 4.580 3.988 3.346 4.551 . 0 0 "[ . 1 . 2]" 1
182 1 14 SER HB3 1 16 GLY H . . 5.500 4.268 3.349 5.319 . 0 0 "[ . 1 . 2]" 1
183 1 14 SER HB3 1 17 GLN H . . 5.090 2.971 2.241 3.982 . 0 0 "[ . 1 . 2]" 1
184 1 14 SER HB3 1 37 LEU QD . . 4.340 3.752 2.576 4.200 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLY H 1 17 GLN H . . 5.500 4.127 3.908 4.268 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLY HA2 1 17 GLN H . . 5.500 4.180 3.933 4.441 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLY HA2 1 18 ALA H . . 4.610 3.665 3.566 3.795 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLY HA2 1 18 ALA MB . . 3.570 2.875 2.807 2.928 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLY HA2 1 19 GLU H . . 5.370 4.280 4.077 4.596 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLY HA2 1 64 HIS HE1 . . 4.450 3.163 2.869 3.571 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLY HA3 1 18 ALA H . . 5.250 4.893 4.833 4.950 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLY HA3 1 18 ALA MB . . 4.280 4.274 4.212 4.309 0.029 10 0 "[ . 1 . 2]" 1
193 1 15 GLY HA3 1 64 HIS HE1 . . 4.260 3.992 3.750 4.269 0.009 19 0 "[ . 1 . 2]" 1
194 1 16 GLY H 1 17 GLN H . . 4.450 2.888 2.817 2.941 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLY H 1 18 ALA H . . 5.500 4.874 4.763 4.933 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLY QA 1 19 GLU H . . 4.450 3.741 3.605 3.853 . 0 0 "[ . 1 . 2]" 1
197 1 16 GLY QA 1 19 GLU HB2 . . 4.050 2.795 2.742 2.879 . 0 0 "[ . 1 . 2]" 1
198 1 16 GLY QA 1 19 GLU HB3 . . 4.100 4.114 4.080 4.139 0.039 19 0 "[ . 1 . 2]" 1
199 1 17 GLN H 1 17 GLN HB2 . . 3.490 2.046 2.027 2.089 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLN H 1 17 GLN HB3 . . 3.670 3.102 3.071 3.130 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLN H 1 17 GLN QG . . 3.830 3.617 3.568 3.684 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLN H 1 18 ALA H . . 3.580 2.859 2.743 2.930 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLN H 1 18 ALA MB . . 4.610 4.252 4.166 4.323 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLN H 1 19 GLU H . . 5.160 4.192 3.964 4.350 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLN HA 1 17 GLN QG . . 3.310 2.056 2.036 2.082 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLN HA 1 19 GLU H . . 5.420 4.457 4.239 4.622 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLN HA 1 20 THR H . . 3.990 3.305 3.208 3.366 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLN HA 1 20 THR HB . . 3.280 2.673 2.544 2.773 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLN HA 1 20 THR MG . . 4.160 3.890 3.692 4.094 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLN HB2 1 17 GLN HE22 . . 5.500 4.189 4.118 4.230 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLN HB2 1 18 ALA H . . 3.930 3.073 3.044 3.154 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLN HB3 1 18 ALA H . . 3.850 2.328 2.282 2.401 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLN HB3 1 18 ALA MB . . 4.910 3.875 3.838 3.924 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLN HB3 1 19 GLU H . . 5.500 4.974 4.830 5.077 . 0 0 "[ . 1 . 2]" 1
215 1 17 GLN HB3 1 21 LEU MD2 . . 4.770 4.115 4.074 4.160 . 0 0 "[ . 1 . 2]" 1
216 1 17 GLN HB3 1 21 LEU HG . . 4.670 4.685 4.673 4.701 0.031 16 0 "[ . 1 . 2]" 1
217 1 17 GLN HE21 1 21 LEU MD2 . . 5.030 3.335 3.151 3.455 . 0 0 "[ . 1 . 2]" 1
218 1 17 GLN HE21 1 21 LEU HG . . 5.500 4.571 4.415 4.714 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLN HE22 1 17 GLN QG . . 3.690 3.291 3.282 3.315 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLN HE22 1 21 LEU MD1 . . 4.660 3.941 3.777 4.062 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLN HE22 1 21 LEU MD2 . . 4.870 4.739 4.519 4.871 0.001 12 0 "[ . 1 . 2]" 1
222 1 17 GLN QG 1 18 ALA H . . 4.400 4.099 4.075 4.132 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLN QG 1 21 LEU MD1 . . 4.000 1.778 1.755 1.812 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLN QG 1 21 LEU MD2 . . 3.490 3.507 3.493 3.519 0.029 16 0 "[ . 1 . 2]" 1
225 1 17 GLN QG 1 21 LEU HG . . 3.900 3.477 3.427 3.547 . 0 0 "[ . 1 . 2]" 1
226 1 18 ALA H 1 18 ALA MB . . 3.040 2.126 1.967 2.188 . 0 0 "[ . 1 . 2]" 1
227 1 18 ALA H 1 19 GLU H . . 3.660 3.064 3.006 3.114 . 0 0 "[ . 1 . 2]" 1
228 1 18 ALA H 1 21 LEU MD1 . . 5.430 2.787 2.752 2.815 . 0 0 "[ . 1 . 2]" 1
229 1 18 ALA H 1 21 LEU MD2 . . 5.500 5.057 5.019 5.093 . 0 0 "[ . 1 . 2]" 1
230 1 18 ALA HA 1 21 LEU HB2 . . 4.110 2.054 1.988 2.165 . 0 0 "[ . 1 . 2]" 1
231 1 18 ALA HA 1 21 LEU HB3 . . 3.930 3.608 3.542 3.735 . 0 0 "[ . 1 . 2]" 1
232 1 18 ALA HA 1 21 LEU MD1 . . 4.050 1.974 1.967 1.979 . 0 0 "[ . 1 . 2]" 1
233 1 18 ALA HA 1 21 LEU MD2 . . 3.660 3.742 3.720 3.768 0.108 18 0 "[ . 1 . 2]" 1
234 1 18 ALA HA 1 21 LEU HG . . 4.610 4.511 4.466 4.579 . 0 0 "[ . 1 . 2]" 1
235 1 18 ALA HA 1 32 LEU MD2 . . 3.620 3.026 2.773 3.444 . 0 0 "[ . 1 . 2]" 1
236 1 18 ALA MB 1 19 GLU H . . 3.350 2.439 2.312 2.593 . 0 0 "[ . 1 . 2]" 1
237 1 18 ALA MB 1 19 GLU HA . . 4.370 3.724 3.591 3.803 . 0 0 "[ . 1 . 2]" 1
238 1 18 ALA MB 1 19 GLU HB2 . . 4.220 4.220 4.129 4.262 0.042 5 0 "[ . 1 . 2]" 1
239 1 18 ALA MB 1 19 GLU HG3 . . 4.280 4.293 4.114 4.816 0.536 4 1 "[ +. 1 . 2]" 1
240 1 18 ALA MB 1 20 THR H . . 4.900 4.589 4.502 4.683 . 0 0 "[ . 1 . 2]" 1
241 1 18 ALA MB 1 22 LEU MD1 . . 3.620 2.515 2.247 2.797 . 0 0 "[ . 1 . 2]" 1
242 1 18 ALA MB 1 32 LEU MD1 . . 3.200 2.822 2.484 3.204 0.004 17 0 "[ . 1 . 2]" 1
243 1 18 ALA MB 1 32 LEU MD2 . . 3.410 2.440 1.952 2.883 . 0 0 "[ . 1 . 2]" 1
244 1 18 ALA MB 1 34 ARG HD2 . . 3.930 2.943 2.174 3.947 0.017 18 0 "[ . 1 . 2]" 1
245 1 18 ALA MB 1 34 ARG HD3 . . 3.530 2.344 1.895 3.040 . 0 0 "[ . 1 . 2]" 1
246 1 18 ALA MB 1 34 ARG HE . . 4.020 3.262 2.774 4.053 0.033 19 0 "[ . 1 . 2]" 1
247 1 18 ALA MB 1 46 SER HA . . 4.720 4.741 4.716 4.756 0.036 18 0 "[ . 1 . 2]" 1
248 1 18 ALA MB 1 46 SER QB . . 3.480 2.447 2.342 2.600 . 0 0 "[ . 1 . 2]" 1
249 1 18 ALA MB 1 46 SER HG . . 4.610 3.442 3.217 3.700 . 0 0 "[ . 1 . 2]" 1
250 1 18 ALA MB 1 62 VAL MG1 . . 4.180 3.626 3.450 3.770 . 0 0 "[ . 1 . 2]" 1
251 1 18 ALA MB 1 64 HIS HE1 . . 3.190 2.462 1.965 3.061 . 0 0 "[ . 1 . 2]" 1
252 1 19 GLU H 1 19 GLU HB2 . . 3.570 2.131 2.068 2.175 . 0 0 "[ . 1 . 2]" 1
253 1 19 GLU H 1 19 GLU HB3 . . 3.720 3.432 3.364 3.466 . 0 0 "[ . 1 . 2]" 1
254 1 19 GLU H 1 19 GLU HG2 . . 3.530 3.479 3.334 3.533 0.003 19 0 "[ . 1 . 2]" 1
255 1 19 GLU H 1 19 GLU HG3 . . 3.650 3.121 2.942 3.542 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLU H 1 20 THR H . . 3.610 2.937 2.840 2.988 . 0 0 "[ . 1 . 2]" 1
257 1 19 GLU H 1 22 LEU MD1 . . 5.500 4.252 3.826 4.584 . 0 0 "[ . 1 . 2]" 1
258 1 19 GLU H 1 62 VAL HB . . 5.500 5.500 5.424 5.525 0.025 19 0 "[ . 1 . 2]" 1
259 1 19 GLU H 1 62 VAL MG1 . . 5.190 3.906 3.792 4.079 . 0 0 "[ . 1 . 2]" 1
260 1 19 GLU H 1 62 VAL MG2 . . 5.030 4.407 4.340 4.466 . 0 0 "[ . 1 . 2]" 1
261 1 19 GLU H 1 64 HIS HE1 . . 4.100 2.958 2.646 3.362 . 0 0 "[ . 1 . 2]" 1
262 1 19 GLU HA 1 19 GLU HG2 . . 3.740 2.008 1.990 2.046 . 0 0 "[ . 1 . 2]" 1
263 1 19 GLU HA 1 19 GLU HG3 . . 3.880 3.139 3.048 3.331 . 0 0 "[ . 1 . 2]" 1
264 1 19 GLU HA 1 22 LEU H . . 4.190 3.877 3.816 3.964 . 0 0 "[ . 1 . 2]" 1
265 1 19 GLU HA 1 22 LEU HB2 . . 3.960 3.056 3.022 3.100 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLU HA 1 22 LEU HB3 . . 4.590 4.629 4.597 4.649 0.059 16 0 "[ . 1 . 2]" 1
267 1 19 GLU HA 1 22 LEU MD1 . . 3.710 3.255 2.945 3.472 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLU HA 1 23 GLN H . . 4.390 4.101 3.917 4.296 . 0 0 "[ . 1 . 2]" 1
269 1 19 GLU HA 1 23 GLN HG3 . . 4.630 3.933 3.748 4.168 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLU HA 1 62 VAL HB . . 4.190 3.579 3.470 3.674 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLU HA 1 62 VAL MG1 . . 3.470 2.294 2.011 2.551 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLU HA 1 62 VAL MG2 . . 2.930 2.050 1.978 2.134 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLU HA 1 64 HIS HE1 . . 4.140 4.035 3.798 4.148 0.008 4 0 "[ . 1 . 2]" 1
274 1 19 GLU HB2 1 20 THR H . . 3.740 2.840 2.756 2.922 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLU HB2 1 62 VAL MG1 . . 4.620 4.250 4.139 4.321 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLU HB2 1 62 VAL MG2 . . 4.030 4.036 3.988 4.056 0.026 9 0 "[ . 1 . 2]" 1
277 1 19 GLU HB3 1 20 THR H . . 3.720 3.047 2.878 3.158 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLU HB3 1 23 GLN H . . 5.500 5.237 5.100 5.403 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLU HB3 1 23 GLN HE21 . . 5.340 4.903 4.490 5.327 . 0 0 "[ . 1 . 2]" 1
280 1 19 GLU HB3 1 23 GLN HE22 . . 5.070 4.481 4.262 4.710 . 0 0 "[ . 1 . 2]" 1
281 1 19 GLU HB3 1 62 VAL MG1 . . 4.790 4.243 4.083 4.479 . 0 0 "[ . 1 . 2]" 1
282 1 19 GLU HB3 1 62 VAL MG2 . . 3.280 3.125 3.044 3.283 0.003 4 0 "[ . 1 . 2]" 1
283 1 19 GLU HG2 1 62 VAL H . . 5.240 4.521 4.356 4.793 . 0 0 "[ . 1 . 2]" 1
284 1 19 GLU HG2 1 62 VAL HB . . 3.530 2.050 1.994 2.201 . 0 0 "[ . 1 . 2]" 1
285 1 19 GLU HG2 1 62 VAL MG1 . . 3.510 2.006 1.921 2.115 . 0 0 "[ . 1 . 2]" 1
286 1 19 GLU HG2 1 62 VAL MG2 . . 3.810 2.131 1.980 2.318 . 0 0 "[ . 1 . 2]" 1
287 1 19 GLU HG2 1 64 HIS HE1 . . 3.620 3.570 3.457 3.628 0.008 7 0 "[ . 1 . 2]" 1
288 1 19 GLU HG3 1 20 THR H . . 4.970 4.944 4.865 5.041 0.071 4 0 "[ . 1 . 2]" 1
289 1 19 GLU HG3 1 62 VAL HB . . 4.050 3.330 3.106 3.483 . 0 0 "[ . 1 . 2]" 1
290 1 19 GLU HG3 1 62 VAL MG1 . . 4.100 3.021 2.770 3.278 . 0 0 "[ . 1 . 2]" 1
291 1 19 GLU HG3 1 62 VAL MG2 . . 4.000 3.657 3.493 3.759 . 0 0 "[ . 1 . 2]" 1
292 1 19 GLU HG3 1 64 HIS HE1 . . 3.510 2.829 2.359 3.284 . 0 0 "[ . 1 . 2]" 1
293 1 20 THR H 1 20 THR HB . . 3.120 2.092 2.027 2.138 . 0 0 "[ . 1 . 2]" 1
294 1 20 THR H 1 20 THR MG . . 3.650 3.588 3.524 3.625 . 0 0 "[ . 1 . 2]" 1
295 1 20 THR H 1 21 LEU H . . 3.620 2.576 2.535 2.614 . 0 0 "[ . 1 . 2]" 1
296 1 20 THR H 1 21 LEU HG . . 5.350 5.370 5.346 5.384 0.034 18 0 "[ . 1 . 2]" 1
297 1 20 THR H 1 62 VAL MG2 . . 5.350 4.789 4.658 4.846 . 0 0 "[ . 1 . 2]" 1
298 1 20 THR HA 1 20 THR MG . . 3.000 2.594 2.532 2.683 . 0 0 "[ . 1 . 2]" 1
299 1 20 THR HA 1 23 GLN H . . 4.160 3.380 3.230 3.536 . 0 0 "[ . 1 . 2]" 1
300 1 20 THR HA 1 23 GLN HB2 . . 3.630 2.286 2.176 2.430 . 0 0 "[ . 1 . 2]" 1
301 1 20 THR HA 1 23 GLN HB3 . . 4.050 3.830 3.753 3.967 . 0 0 "[ . 1 . 2]" 1
302 1 20 THR HA 1 24 ALA H . . 4.540 3.683 3.474 3.927 . 0 0 "[ . 1 . 2]" 1
303 1 20 THR HB 1 21 LEU H . . 3.340 2.898 2.792 2.992 . 0 0 "[ . 1 . 2]" 1
304 1 20 THR HB 1 21 LEU MD1 . . 4.590 3.305 3.181 3.419 . 0 0 "[ . 1 . 2]" 1
305 1 20 THR HB 1 21 LEU HG . . 4.810 4.609 4.483 4.754 . 0 0 "[ . 1 . 2]" 1
306 1 20 THR MG 1 21 LEU H . . 3.740 3.199 3.036 3.353 . 0 0 "[ . 1 . 2]" 1
307 1 20 THR MG 1 21 LEU MD1 . . 3.660 3.373 3.134 3.506 . 0 0 "[ . 1 . 2]" 1
308 1 20 THR MG 1 24 ALA H . . 5.310 3.638 3.501 3.809 . 0 0 "[ . 1 . 2]" 1
309 1 21 LEU H 1 21 LEU HB2 . . 3.900 2.271 2.248 2.302 . 0 0 "[ . 1 . 2]" 1
310 1 21 LEU H 1 21 LEU HB3 . . 3.300 3.501 3.493 3.509 0.209 19 0 "[ . 1 . 2]" 1
311 1 21 LEU H 1 21 LEU MD1 . . 3.660 2.356 2.269 2.413 . 0 0 "[ . 1 . 2]" 1
312 1 21 LEU H 1 21 LEU MD2 . . 4.070 4.124 4.090 4.147 0.077 18 0 "[ . 1 . 2]" 1
313 1 21 LEU H 1 21 LEU HG . . 3.330 3.092 3.043 3.161 . 0 0 "[ . 1 . 2]" 1
314 1 21 LEU H 1 23 GLN H . . 5.500 3.988 3.880 4.150 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU H 1 24 ALA MB . . 4.730 4.293 4.185 4.426 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU HA 1 21 LEU MD2 . . 3.440 3.256 3.213 3.293 . 0 0 "[ . 1 . 2]" 1
317 1 21 LEU HA 1 21 LEU HG . . 3.780 2.265 2.251 2.281 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU HA 1 24 ALA H . . 4.260 3.301 3.170 3.456 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU HA 1 24 ALA MB . . 3.330 2.362 2.130 2.533 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU HA 1 25 LYS H . . 5.050 4.420 4.290 4.495 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU HA 1 111 TYR QE . . 3.970 4.094 4.038 4.144 0.174 1 0 "[ . 1 . 2]" 1
322 1 21 LEU HB2 1 21 LEU MD2 . . 3.280 2.839 2.811 2.865 . 0 0 "[ . 1 . 2]" 1
323 1 21 LEU HB2 1 22 LEU H . . 3.540 2.499 2.390 2.625 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU HB2 1 22 LEU HA . . 4.650 4.510 4.470 4.551 . 0 0 "[ . 1 . 2]" 1
325 1 21 LEU HB2 1 24 ALA H . . 5.500 5.388 5.201 5.515 0.015 15 0 "[ . 1 . 2]" 1
326 1 21 LEU HB2 1 32 LEU MD2 . . 4.380 3.540 3.437 3.723 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU HB2 1 111 TYR QE . . 3.770 3.220 3.129 3.434 . 0 0 "[ . 1 . 2]" 1
328 1 21 LEU HB3 1 21 LEU MD1 . . 3.420 3.044 3.026 3.060 . 0 0 "[ . 1 . 2]" 1
329 1 21 LEU HB3 1 21 LEU MD2 . . 3.190 2.149 2.119 2.160 . 0 0 "[ . 1 . 2]" 1
330 1 21 LEU HB3 1 22 LEU H . . 3.780 3.248 3.108 3.383 . 0 0 "[ . 1 . 2]" 1
331 1 21 LEU HB3 1 23 GLN H . . 5.320 5.362 5.212 5.521 0.201 19 0 "[ . 1 . 2]" 1
332 1 21 LEU HB3 1 24 ALA H . . 5.500 5.248 5.026 5.429 . 0 0 "[ . 1 . 2]" 1
333 1 21 LEU HB3 1 32 LEU MD2 . . 4.670 3.739 3.570 3.891 . 0 0 "[ . 1 . 2]" 1
334 1 21 LEU HB3 1 111 TYR QE . . 3.710 1.986 1.935 2.137 . 0 0 "[ . 1 . 2]" 1
335 1 21 LEU MD1 1 111 TYR QE . . 3.700 3.759 3.718 3.796 0.096 18 0 "[ . 1 . 2]" 1
336 1 21 LEU MD2 1 111 TYR QE . . 3.380 1.882 1.772 1.988 . 0 0 "[ . 1 . 2]" 1
337 1 22 LEU H 1 22 LEU HB2 . . 3.550 2.278 2.224 2.351 . 0 0 "[ . 1 . 2]" 1
338 1 22 LEU H 1 22 LEU HB3 . . 3.940 3.501 3.485 3.521 . 0 0 "[ . 1 . 2]" 1
339 1 22 LEU H 1 22 LEU MD1 . . 3.800 3.360 3.147 3.587 . 0 0 "[ . 1 . 2]" 1
340 1 22 LEU H 1 22 LEU MD2 . . 3.850 3.767 3.630 3.849 . 0 0 "[ . 1 . 2]" 1
341 1 22 LEU H 1 22 LEU HG . . 3.450 2.511 2.353 2.640 . 0 0 "[ . 1 . 2]" 1
342 1 22 LEU H 1 23 GLN H . . 3.640 2.776 2.674 2.850 . 0 0 "[ . 1 . 2]" 1
343 1 22 LEU H 1 23 GLN HB2 . . 5.260 4.791 4.671 4.908 . 0 0 "[ . 1 . 2]" 1
344 1 22 LEU H 1 23 GLN HG3 . . 5.450 4.838 4.732 5.031 . 0 0 "[ . 1 . 2]" 1
345 1 22 LEU H 1 24 ALA H . . 4.840 4.230 4.026 4.369 . 0 0 "[ . 1 . 2]" 1
346 1 22 LEU H 1 32 LEU MD2 . . 4.390 3.731 3.499 3.858 . 0 0 "[ . 1 . 2]" 1
347 1 22 LEU HA 1 22 LEU MD2 . . 2.910 2.232 1.959 2.404 . 0 0 "[ . 1 . 2]" 1
348 1 22 LEU HA 1 22 LEU HG . . 3.640 2.701 2.633 2.783 . 0 0 "[ . 1 . 2]" 1
349 1 22 LEU HA 1 25 LYS H . . 4.140 3.596 3.489 3.690 . 0 0 "[ . 1 . 2]" 1
350 1 22 LEU HA 1 25 LYS HB2 . . 4.290 3.426 3.100 3.611 . 0 0 "[ . 1 . 2]" 1
351 1 22 LEU HA 1 25 LYS HB3 . . 4.220 3.757 3.465 3.962 . 0 0 "[ . 1 . 2]" 1
352 1 22 LEU HA 1 48 LEU HB2 . . 4.750 4.204 4.049 4.339 . 0 0 "[ . 1 . 2]" 1
353 1 22 LEU HA 1 111 TYR QD . . 4.070 3.833 3.536 4.010 . 0 0 "[ . 1 . 2]" 1
354 1 22 LEU HA 1 111 TYR QE . . 3.960 3.708 3.503 3.900 . 0 0 "[ . 1 . 2]" 1
355 1 22 LEU HB2 1 22 LEU MD1 . . 3.320 2.249 2.202 2.323 . 0 0 "[ . 1 . 2]" 1
356 1 22 LEU HB2 1 22 LEU MD2 . . 3.430 3.192 3.162 3.215 . 0 0 "[ . 1 . 2]" 1
357 1 22 LEU HB2 1 23 GLN H . . 3.450 2.806 2.650 2.904 . 0 0 "[ . 1 . 2]" 1
358 1 22 LEU HB2 1 62 VAL MG1 . . 4.090 3.254 2.998 3.452 . 0 0 "[ . 1 . 2]" 1
359 1 22 LEU HB2 1 62 VAL MG2 . . 3.480 2.875 2.702 3.015 . 0 0 "[ . 1 . 2]" 1
360 1 22 LEU HB3 1 22 LEU MD1 . . 3.400 2.499 2.372 2.611 . 0 0 "[ . 1 . 2]" 1
361 1 22 LEU HB3 1 22 LEU MD2 . . 3.240 2.226 2.130 2.382 . 0 0 "[ . 1 . 2]" 1
362 1 22 LEU HB3 1 23 GLN H . . 4.250 3.562 3.484 3.631 . 0 0 "[ . 1 . 2]" 1
363 1 22 LEU HB3 1 48 LEU MD1 . . 3.160 2.150 1.945 2.333 . 0 0 "[ . 1 . 2]" 1
364 1 22 LEU HB3 1 62 VAL MG2 . . 4.200 3.271 3.095 3.472 . 0 0 "[ . 1 . 2]" 1
365 1 22 LEU MD1 1 31 PHE HA . . 4.440 3.600 3.340 3.799 . 0 0 "[ . 1 . 2]" 1
366 1 22 LEU MD1 1 32 LEU H . . 4.200 4.197 4.097 4.234 0.034 3 0 "[ . 1 . 2]" 1
367 1 22 LEU MD1 1 32 LEU HG . . 3.700 2.985 2.535 3.332 . 0 0 "[ . 1 . 2]" 1
368 1 22 LEU MD1 1 46 SER HA . . 4.440 3.618 3.501 3.800 . 0 0 "[ . 1 . 2]" 1
369 1 22 LEU MD1 1 46 SER QB . . 3.370 1.802 1.698 1.892 . 0 0 "[ . 1 . 2]" 1
370 1 22 LEU MD1 1 47 VAL H . . 4.530 3.647 3.342 3.982 . 0 0 "[ . 1 . 2]" 1
371 1 22 LEU MD1 1 47 VAL HA . . 4.190 3.187 2.795 3.495 . 0 0 "[ . 1 . 2]" 1
372 1 22 LEU MD1 1 48 LEU H . . 4.180 3.481 3.237 3.674 . 0 0 "[ . 1 . 2]" 1
373 1 22 LEU MD1 1 48 LEU HA . . 4.700 3.583 3.320 3.763 . 0 0 "[ . 1 . 2]" 1
374 1 22 LEU MD1 1 62 VAL MG1 . . 3.100 2.125 1.974 2.329 . 0 0 "[ . 1 . 2]" 1
375 1 22 LEU MD1 1 62 VAL MG2 . . 3.490 2.948 2.730 3.131 . 0 0 "[ . 1 . 2]" 1
376 1 22 LEU MD1 1 63 THR H . . 5.180 3.985 3.657 4.323 . 0 0 "[ . 1 . 2]" 1
377 1 22 LEU MD2 1 23 GLN H . . 4.920 4.856 4.806 4.891 . 0 0 "[ . 1 . 2]" 1
378 1 22 LEU MD2 1 30 THR HA . . 4.770 4.188 4.032 4.278 . 0 0 "[ . 1 . 2]" 1
379 1 22 LEU MD2 1 30 THR HB . . 3.450 2.315 2.061 2.541 . 0 0 "[ . 1 . 2]" 1
380 1 22 LEU MD2 1 30 THR MG . . 2.920 2.556 2.411 2.815 . 0 0 "[ . 1 . 2]" 1
381 1 22 LEU MD2 1 31 PHE H . . 4.430 4.207 4.082 4.268 . 0 0 "[ . 1 . 2]" 1
382 1 22 LEU MD2 1 31 PHE HA . . 3.880 3.204 3.041 3.294 . 0 0 "[ . 1 . 2]" 1
383 1 22 LEU MD2 1 32 LEU H . . 4.200 4.193 4.149 4.222 0.022 11 0 "[ . 1 . 2]" 1
384 1 22 LEU MD2 1 32 LEU MD2 . . 3.180 2.352 1.926 2.544 . 0 0 "[ . 1 . 2]" 1
385 1 22 LEU MD2 1 32 LEU HG . . 3.680 3.383 2.932 3.666 . 0 0 "[ . 1 . 2]" 1
386 1 22 LEU MD2 1 47 VAL HA . . 4.390 3.386 3.235 3.598 . 0 0 "[ . 1 . 2]" 1
387 1 22 LEU MD2 1 48 LEU H . . 3.780 2.879 2.611 3.169 . 0 0 "[ . 1 . 2]" 1
388 1 22 LEU MD2 1 48 LEU HB3 . . 4.150 3.298 3.137 3.446 . 0 0 "[ . 1 . 2]" 1
389 1 22 LEU MD2 1 111 TYR H . . 5.130 4.324 3.931 4.748 . 0 0 "[ . 1 . 2]" 1
390 1 22 LEU MD2 1 111 TYR HB2 . . 3.570 2.396 2.103 2.545 . 0 0 "[ . 1 . 2]" 1
391 1 22 LEU MD2 1 111 TYR HB3 . . 3.900 3.425 2.749 3.723 . 0 0 "[ . 1 . 2]" 1
392 1 22 LEU MD2 1 111 TYR QD . . 3.240 3.154 3.009 3.249 0.009 3 0 "[ . 1 . 2]" 1
393 1 22 LEU HG 1 32 LEU MD2 . . 3.590 2.120 1.850 2.445 . 0 0 "[ . 1 . 2]" 1
394 1 23 GLN H 1 23 GLN HB2 . . 3.470 2.269 2.229 2.311 . 0 0 "[ . 1 . 2]" 1
395 1 23 GLN H 1 23 GLN HB3 . . 3.810 3.512 3.494 3.525 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLN H 1 23 GLN HE21 . . 5.500 5.218 5.070 5.369 . 0 0 "[ . 1 . 2]" 1
397 1 23 GLN H 1 23 GLN HG2 . . 4.060 3.723 3.610 3.804 . 0 0 "[ . 1 . 2]" 1
398 1 23 GLN H 1 23 GLN HG3 . . 3.670 2.541 2.411 2.655 . 0 0 "[ . 1 . 2]" 1
399 1 23 GLN H 1 24 ALA H . . 3.640 2.644 2.555 2.769 . 0 0 "[ . 1 . 2]" 1
400 1 23 GLN H 1 24 ALA HA . . 5.340 5.177 5.103 5.277 . 0 0 "[ . 1 . 2]" 1
401 1 23 GLN H 1 24 ALA MB . . 4.420 4.141 4.040 4.282 . 0 0 "[ . 1 . 2]" 1
402 1 23 GLN H 1 25 LYS H . . 5.170 4.059 3.915 4.131 . 0 0 "[ . 1 . 2]" 1
403 1 23 GLN H 1 48 LEU MD1 . . 4.470 3.467 3.306 3.634 . 0 0 "[ . 1 . 2]" 1
404 1 23 GLN H 1 62 VAL MG2 . . 4.400 3.747 3.576 3.854 . 0 0 "[ . 1 . 2]" 1
405 1 23 GLN HA 1 23 GLN HE21 . . 5.240 4.722 4.656 4.783 . 0 0 "[ . 1 . 2]" 1
406 1 23 GLN HA 1 23 GLN HG2 . . 3.420 2.417 2.309 2.504 . 0 0 "[ . 1 . 2]" 1
407 1 23 GLN HA 1 23 GLN HG3 . . 3.340 2.788 2.701 2.864 . 0 0 "[ . 1 . 2]" 1
408 1 23 GLN HA 1 48 LEU MD1 . . 3.230 2.675 2.513 2.806 . 0 0 "[ . 1 . 2]" 1
409 1 23 GLN HA 1 60 LEU H . . 4.630 4.019 3.755 4.246 . 0 0 "[ . 1 . 2]" 1
410 1 23 GLN HB2 1 24 ALA H . . 3.910 2.705 2.572 2.913 . 0 0 "[ . 1 . 2]" 1
411 1 23 GLN HB2 1 24 ALA MB . . 4.220 4.144 4.081 4.205 . 0 0 "[ . 1 . 2]" 1
412 1 23 GLN HB3 1 24 ALA H . . 4.140 3.474 3.301 3.718 . 0 0 "[ . 1 . 2]" 1
413 1 23 GLN HE21 1 48 LEU MD1 . . 5.150 3.823 3.635 4.016 . 0 0 "[ . 1 . 2]" 1
414 1 23 GLN HE21 1 53 LYS QD . . 4.410 3.673 3.168 4.045 . 0 0 "[ . 1 . 2]" 1
415 1 23 GLN HE21 1 53 LYS QG . . 5.500 4.992 4.335 5.318 . 0 0 "[ . 1 . 2]" 1
416 1 23 GLN HE21 1 59 PRO HB2 . . 4.230 2.505 2.269 2.933 . 0 0 "[ . 1 . 2]" 1
417 1 23 GLN HE21 1 59 PRO HB3 . . 4.520 4.015 3.778 4.405 . 0 0 "[ . 1 . 2]" 1
418 1 23 GLN HE21 1 60 LEU H . . 5.500 4.191 4.027 4.586 . 0 0 "[ . 1 . 2]" 1
419 1 23 GLN HE21 1 61 ARG HA . . 4.310 3.369 3.034 3.671 . 0 0 "[ . 1 . 2]" 1
420 1 23 GLN HE21 1 62 VAL H . . 4.980 4.438 4.258 4.754 . 0 0 "[ . 1 . 2]" 1
421 1 23 GLN HE21 1 62 VAL MG2 . . 3.750 2.588 2.250 2.889 . 0 0 "[ . 1 . 2]" 1
422 1 23 GLN HE22 1 48 LEU MD1 . . 5.390 5.189 5.037 5.369 . 0 0 "[ . 1 . 2]" 1
423 1 23 GLN HE22 1 53 LYS QD . . 4.210 3.479 3.134 3.752 . 0 0 "[ . 1 . 2]" 1
424 1 23 GLN HE22 1 53 LYS QG . . 5.500 5.186 4.558 5.507 0.007 12 0 "[ . 1 . 2]" 1
425 1 23 GLN HE22 1 59 PRO HB2 . . 4.140 2.684 2.549 2.893 . 0 0 "[ . 1 . 2]" 1
426 1 23 GLN HE22 1 59 PRO HB3 . . 4.920 4.016 3.697 4.302 . 0 0 "[ . 1 . 2]" 1
427 1 23 GLN HE22 1 59 PRO QG . . 5.160 3.216 2.949 3.567 . 0 0 "[ . 1 . 2]" 1
428 1 23 GLN HE22 1 60 LEU H . . 5.500 5.439 5.271 5.506 0.006 9 0 "[ . 1 . 2]" 1
429 1 23 GLN HE22 1 61 ARG HA . . 4.940 4.221 3.805 4.643 . 0 0 "[ . 1 . 2]" 1
430 1 23 GLN HE22 1 62 VAL H . . 5.450 5.225 4.992 5.410 . 0 0 "[ . 1 . 2]" 1
431 1 23 GLN HE22 1 62 VAL MG2 . . 4.130 3.600 3.408 3.738 . 0 0 "[ . 1 . 2]" 1
432 1 23 GLN HG2 1 24 ALA H . . 5.420 5.099 5.022 5.187 . 0 0 "[ . 1 . 2]" 1
433 1 23 GLN HG2 1 48 LEU MD1 . . 3.610 2.964 2.772 3.117 . 0 0 "[ . 1 . 2]" 1
434 1 23 GLN HG2 1 59 PRO HB2 . . 4.410 2.700 2.299 2.948 . 0 0 "[ . 1 . 2]" 1
435 1 23 GLN HG2 1 59 PRO HB3 . . 4.350 3.299 3.022 3.507 . 0 0 "[ . 1 . 2]" 1
436 1 23 GLN HG2 1 60 LEU H . . 4.500 3.095 2.852 3.301 . 0 0 "[ . 1 . 2]" 1
437 1 23 GLN HG2 1 62 VAL MG2 . . 3.420 3.368 3.261 3.429 0.009 2 0 "[ . 1 . 2]" 1
438 1 23 GLN HG3 1 24 ALA H . . 5.090 4.595 4.520 4.663 . 0 0 "[ . 1 . 2]" 1
439 1 23 GLN HG3 1 48 LEU MD1 . . 3.760 2.775 2.654 2.932 . 0 0 "[ . 1 . 2]" 1
440 1 23 GLN HG3 1 62 VAL MG2 . . 3.450 2.506 2.375 2.594 . 0 0 "[ . 1 . 2]" 1
441 1 24 ALA H 1 24 ALA MB . . 2.750 2.019 1.932 2.145 . 0 0 "[ . 1 . 2]" 1
442 1 24 ALA H 1 25 LYS H . . 3.600 2.813 2.639 2.899 . 0 0 "[ . 1 . 2]" 1
443 1 24 ALA H 1 25 LYS HA . . 5.500 5.344 5.206 5.409 . 0 0 "[ . 1 . 2]" 1
444 1 24 ALA H 1 25 LYS HB2 . . 5.200 4.792 4.639 4.927 . 0 0 "[ . 1 . 2]" 1
445 1 24 ALA H 1 48 LEU MD1 . . 5.320 5.305 5.239 5.335 0.015 14 0 "[ . 1 . 2]" 1
446 1 24 ALA H 1 48 LEU MD2 . . 5.290 5.104 4.969 5.279 . 0 0 "[ . 1 . 2]" 1
447 1 24 ALA HA 1 26 GLY H . . 5.300 5.070 4.934 5.257 . 0 0 "[ . 1 . 2]" 1
448 1 24 ALA MB 1 25 LYS H . . 3.280 2.750 2.624 2.847 . 0 0 "[ . 1 . 2]" 1
449 1 24 ALA MB 1 25 LYS HA . . 4.150 3.844 3.792 3.937 . 0 0 "[ . 1 . 2]" 1
450 1 24 ALA MB 1 25 LYS HB2 . . 4.330 3.819 3.708 3.979 . 0 0 "[ . 1 . 2]" 1
451 1 25 LYS H 1 25 LYS HB2 . . 3.390 2.200 2.085 2.306 . 0 0 "[ . 1 . 2]" 1
452 1 25 LYS H 1 25 LYS HB3 . . 3.430 2.899 2.803 3.097 . 0 0 "[ . 1 . 2]" 1
453 1 25 LYS H 1 25 LYS QD . . 4.420 3.704 3.088 3.931 . 0 0 "[ . 1 . 2]" 1
454 1 25 LYS H 1 25 LYS HG2 . . 4.800 4.647 4.425 4.690 . 0 0 "[ . 1 . 2]" 1
455 1 25 LYS H 1 25 LYS HG3 . . 4.380 4.325 4.251 4.468 0.088 6 0 "[ . 1 . 2]" 1
456 1 25 LYS H 1 26 GLY H . . 3.350 2.574 2.473 2.673 . 0 0 "[ . 1 . 2]" 1
457 1 25 LYS H 1 26 GLY HA2 . . 4.660 4.647 4.563 4.687 0.027 17 0 "[ . 1 . 2]" 1
458 1 25 LYS H 1 26 GLY HA3 . . 4.970 4.959 4.893 4.996 0.026 6 0 "[ . 1 . 2]" 1
459 1 25 LYS H 1 27 GLU H . . 5.500 4.610 4.388 4.862 . 0 0 "[ . 1 . 2]" 1
460 1 25 LYS H 1 48 LEU MD2 . . 4.690 4.177 4.031 4.303 . 0 0 "[ . 1 . 2]" 1
461 1 25 LYS H 1 111 TYR QE . . 4.240 3.699 3.448 3.935 . 0 0 "[ . 1 . 2]" 1
462 1 25 LYS HA 1 25 LYS QD . . 3.190 2.835 2.020 3.212 0.022 19 0 "[ . 1 . 2]" 1
463 1 25 LYS HA 1 25 LYS QE . . 4.720 3.680 2.239 4.212 . 0 0 "[ . 1 . 2]" 1
464 1 25 LYS HA 1 25 LYS HG2 . . 3.660 3.436 3.330 3.588 . 0 0 "[ . 1 . 2]" 1
465 1 25 LYS HA 1 25 LYS HG3 . . 4.150 2.159 2.014 2.534 . 0 0 "[ . 1 . 2]" 1
466 1 25 LYS HA 1 27 GLU H . . 5.500 3.978 3.915 4.078 . 0 0 "[ . 1 . 2]" 1
467 1 25 LYS HB2 1 25 LYS QD . . 3.590 2.178 2.089 2.408 . 0 0 "[ . 1 . 2]" 1
468 1 25 LYS HB2 1 26 GLY H . . 4.050 3.389 3.139 3.509 . 0 0 "[ . 1 . 2]" 1
469 1 25 LYS HB2 1 48 LEU MD2 . . 4.520 4.521 4.346 4.550 0.030 11 0 "[ . 1 . 2]" 1
470 1 25 LYS HB2 1 111 TYR QE . . 3.390 1.996 1.982 2.060 . 0 0 "[ . 1 . 2]" 1
471 1 25 LYS HB3 1 25 LYS QD . . 3.670 3.157 3.023 3.359 . 0 0 "[ . 1 . 2]" 1
472 1 25 LYS HB3 1 26 GLY H . . 3.840 2.474 2.319 2.571 . 0 0 "[ . 1 . 2]" 1
473 1 25 LYS HB3 1 48 LEU MD2 . . 4.430 3.528 3.383 3.687 . 0 0 "[ . 1 . 2]" 1
474 1 25 LYS HB3 1 111 TYR QE . . 3.850 3.451 3.187 3.631 . 0 0 "[ . 1 . 2]" 1
475 1 25 LYS QD 1 26 GLY H . . 5.020 4.955 4.727 5.038 0.018 1 0 "[ . 1 . 2]" 1
476 1 25 LYS QD 1 111 TYR QD . . 3.720 2.686 2.053 3.756 0.036 17 0 "[ . 1 . 2]" 1
477 1 25 LYS QD 1 111 TYR QE . . 3.480 1.831 1.777 2.071 . 0 0 "[ . 1 . 2]" 1
478 1 25 LYS QE 1 25 LYS HG2 . . 3.820 2.612 2.112 3.098 . 0 0 "[ . 1 . 2]" 1
479 1 25 LYS QE 1 25 LYS HG3 . . 3.770 2.270 1.956 2.944 . 0 0 "[ . 1 . 2]" 1
480 1 25 LYS QE 1 27 GLU QG . . 4.720 4.125 3.689 4.460 . 0 0 "[ . 1 . 2]" 1
481 1 25 LYS QE 1 111 TYR QE . . 4.570 3.700 2.087 4.053 . 0 0 "[ . 1 . 2]" 1
482 1 25 LYS HG2 1 26 GLY H . . 4.620 4.628 4.541 4.953 0.333 6 0 "[ . 1 . 2]" 1
483 1 25 LYS HG2 1 27 GLU H . . 3.980 3.413 3.128 4.404 0.424 6 0 "[ . 1 . 2]" 1
484 1 25 LYS HG2 1 111 TYR QE . . 3.830 3.501 2.320 3.836 0.006 9 0 "[ . 1 . 2]" 1
485 1 25 LYS HG3 1 26 GLY H . . 4.970 4.548 4.217 4.683 . 0 0 "[ . 1 . 2]" 1
486 1 25 LYS HG3 1 111 TYR QE . . 4.040 4.021 3.638 4.076 0.036 17 0 "[ . 1 . 2]" 1
487 1 26 GLY H 1 27 GLU H . . 3.880 2.760 2.548 2.985 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLY H 1 48 LEU MD2 . . 3.750 2.506 2.428 2.553 . 0 0 "[ . 1 . 2]" 1
489 1 26 GLY H 1 60 LEU MD1 . . 5.320 5.072 4.817 5.268 . 0 0 "[ . 1 . 2]" 1
490 1 26 GLY HA2 1 48 LEU MD2 . . 3.490 2.472 2.425 2.528 . 0 0 "[ . 1 . 2]" 1
491 1 26 GLY HA2 1 60 LEU MD1 . . 3.840 3.280 3.032 3.508 . 0 0 "[ . 1 . 2]" 1
492 1 26 GLY HA3 1 48 LEU MD2 . . 3.620 3.668 3.628 3.704 0.084 17 0 "[ . 1 . 2]" 1
493 1 26 GLY HA3 1 60 LEU MD1 . . 4.420 4.035 3.794 4.263 . 0 0 "[ . 1 . 2]" 1
494 1 27 GLU H 1 27 GLU HB2 . . 3.490 2.402 2.217 2.530 . 0 0 "[ . 1 . 2]" 1
495 1 27 GLU H 1 27 GLU HB3 . . 3.610 3.543 3.487 3.572 . 0 0 "[ . 1 . 2]" 1
496 1 27 GLU H 1 27 GLU QG . . 3.630 2.415 2.025 3.392 . 0 0 "[ . 1 . 2]" 1
497 1 27 GLU H 1 30 THR HG1 . . 4.740 4.341 3.830 4.850 0.110 17 0 "[ . 1 . 2]" 1
498 1 27 GLU H 1 48 LEU MD2 . . 3.590 3.264 2.961 3.563 . 0 0 "[ . 1 . 2]" 1
499 1 27 GLU HA 1 27 GLU QG . . 3.320 2.310 2.135 2.497 . 0 0 "[ . 1 . 2]" 1
500 1 27 GLU HA 1 28 PRO HD2 . . 3.140 2.270 2.249 2.302 . 0 0 "[ . 1 . 2]" 1
501 1 27 GLU HA 1 28 PRO HD3 . . 3.080 1.994 1.968 2.017 . 0 0 "[ . 1 . 2]" 1
502 1 27 GLU HA 1 28 PRO HG2 . . 4.480 4.374 4.367 4.386 . 0 0 "[ . 1 . 2]" 1
503 1 27 GLU HA 1 28 PRO HG3 . . 4.350 4.234 4.217 4.249 . 0 0 "[ . 1 . 2]" 1
504 1 27 GLU HB2 1 28 PRO HD2 . . 4.730 4.677 4.614 4.746 0.016 15 0 "[ . 1 . 2]" 1
505 1 27 GLU HB2 1 30 THR H . . 5.350 5.336 4.847 5.464 0.114 18 0 "[ . 1 . 2]" 1
506 1 27 GLU HB2 1 30 THR HB . . 4.130 3.590 3.168 3.786 . 0 0 "[ . 1 . 2]" 1
507 1 27 GLU HB2 1 30 THR HG1 . . 3.730 2.483 1.960 3.241 . 0 0 "[ . 1 . 2]" 1
508 1 27 GLU HB2 1 30 THR MG . . 3.580 2.679 2.278 2.833 . 0 0 "[ . 1 . 2]" 1
509 1 27 GLU HB2 1 48 LEU MD2 . . 4.690 3.586 3.316 3.801 . 0 0 "[ . 1 . 2]" 1
510 1 27 GLU HB2 1 109 GLN HE21 . . 5.040 4.775 4.020 5.063 0.023 5 0 "[ . 1 . 2]" 1
511 1 27 GLU HB3 1 28 PRO HD2 . . 4.450 3.466 3.358 3.592 . 0 0 "[ . 1 . 2]" 1
512 1 27 GLU HB3 1 28 PRO HD3 . . 4.190 4.230 4.156 4.314 0.124 15 0 "[ . 1 . 2]" 1
513 1 27 GLU HB3 1 30 THR H . . 5.330 5.131 4.804 5.391 0.061 2 0 "[ . 1 . 2]" 1
514 1 27 GLU HB3 1 30 THR HB . . 4.450 4.158 3.770 4.455 0.005 7 0 "[ . 1 . 2]" 1
515 1 27 GLU HB3 1 30 THR HG1 . . 3.700 2.197 1.978 2.439 . 0 0 "[ . 1 . 2]" 1
516 1 27 GLU HB3 1 30 THR MG . . 3.590 3.215 2.985 3.480 . 0 0 "[ . 1 . 2]" 1
517 1 27 GLU HB3 1 109 GLN HE21 . . 5.000 3.307 2.633 3.605 . 0 0 "[ . 1 . 2]" 1
518 1 27 GLU HB3 1 109 GLN HE22 . . 5.350 3.340 3.002 3.599 . 0 0 "[ . 1 . 2]" 1
519 1 27 GLU QG 1 28 PRO HD2 . . 3.910 3.566 3.270 3.738 . 0 0 "[ . 1 . 2]" 1
520 1 27 GLU QG 1 28 PRO HD3 . . 4.000 3.906 3.679 4.007 0.007 9 0 "[ . 1 . 2]" 1
521 1 27 GLU QG 1 30 THR HG1 . . 4.230 4.052 3.657 4.349 0.119 13 0 "[ . 1 . 2]" 1
522 1 27 GLU QG 1 109 GLN HE21 . . 5.190 4.745 4.236 5.200 0.010 19 0 "[ . 1 . 2]" 1
523 1 27 GLU QG 1 109 GLN HE22 . . 4.980 4.114 3.335 4.671 . 0 0 "[ . 1 . 2]" 1
524 1 28 PRO HA 1 29 TRP H . . 2.970 2.181 2.156 2.204 . 0 0 "[ . 1 . 2]" 1
525 1 28 PRO HA 1 30 THR H . . 4.030 3.749 3.543 4.037 0.007 19 0 "[ . 1 . 2]" 1
526 1 28 PRO HA 1 48 LEU H . . 5.420 5.410 5.259 5.463 0.043 11 0 "[ . 1 . 2]" 1
527 1 28 PRO HA 1 48 LEU HB2 . . 4.820 4.848 4.818 4.873 0.053 5 0 "[ . 1 . 2]" 1
528 1 28 PRO HA 1 48 LEU HB3 . . 3.750 3.172 3.133 3.243 . 0 0 "[ . 1 . 2]" 1
529 1 28 PRO HA 1 48 LEU MD2 . . 3.590 3.174 2.895 3.266 . 0 0 "[ . 1 . 2]" 1
530 1 28 PRO HA 1 48 LEU HG . . 4.430 3.386 3.132 3.653 . 0 0 "[ . 1 . 2]" 1
531 1 28 PRO HB2 1 29 TRP H . . 4.600 3.519 3.401 3.686 . 0 0 "[ . 1 . 2]" 1
532 1 28 PRO HB2 1 29 TRP HD1 . . 3.870 3.304 3.228 3.409 . 0 0 "[ . 1 . 2]" 1
533 1 28 PRO HB2 1 29 TRP HE1 . . 4.770 3.824 3.616 3.941 . 0 0 "[ . 1 . 2]" 1
534 1 28 PRO HB2 1 50 ASP HA . . 4.320 3.340 3.227 3.452 . 0 0 "[ . 1 . 2]" 1
535 1 28 PRO HB2 1 50 ASP HB2 . . 4.480 3.155 3.060 3.239 . 0 0 "[ . 1 . 2]" 1
536 1 28 PRO HB2 1 50 ASP HB3 . . 4.370 2.723 2.670 2.774 . 0 0 "[ . 1 . 2]" 1
537 1 28 PRO HB2 1 60 LEU MD1 . . 4.020 3.942 3.842 4.023 0.003 8 0 "[ . 1 . 2]" 1
538 1 28 PRO HB3 1 29 TRP H . . 4.270 3.877 3.797 3.995 . 0 0 "[ . 1 . 2]" 1
539 1 28 PRO HB3 1 29 TRP HE1 . . 5.450 5.247 5.092 5.352 . 0 0 "[ . 1 . 2]" 1
540 1 28 PRO HB3 1 50 ASP HA . . 3.510 2.360 2.242 2.439 . 0 0 "[ . 1 . 2]" 1
541 1 28 PRO HB3 1 50 ASP HB2 . . 3.990 3.094 2.995 3.196 . 0 0 "[ . 1 . 2]" 1
542 1 28 PRO HB3 1 50 ASP HB3 . . 3.950 3.267 3.154 3.345 . 0 0 "[ . 1 . 2]" 1
543 1 28 PRO HD3 1 60 LEU MD1 . . 3.790 3.778 3.652 3.815 0.025 10 0 "[ . 1 . 2]" 1
544 1 28 PRO HG2 1 29 TRP H . . 5.430 5.271 5.208 5.353 . 0 0 "[ . 1 . 2]" 1
545 1 28 PRO HG2 1 29 TRP HE1 . . 5.500 5.037 4.776 5.280 . 0 0 "[ . 1 . 2]" 1
546 1 28 PRO HG2 1 50 ASP HB2 . . 4.560 4.568 4.546 4.580 0.020 17 0 "[ . 1 . 2]" 1
547 1 28 PRO HG2 1 50 ASP HB3 . . 4.730 4.740 4.711 4.755 0.025 12 0 "[ . 1 . 2]" 1
548 1 28 PRO HG3 1 50 ASP HB2 . . 4.290 4.199 4.118 4.267 . 0 0 "[ . 1 . 2]" 1
549 1 29 TRP H 1 29 TRP HE3 . . 3.820 3.405 3.289 3.480 . 0 0 "[ . 1 . 2]" 1
550 1 29 TRP H 1 30 THR H . . 3.620 2.486 2.422 2.556 . 0 0 "[ . 1 . 2]" 1
551 1 29 TRP H 1 30 THR HB . . 5.000 4.687 4.513 4.840 . 0 0 "[ . 1 . 2]" 1
552 1 29 TRP H 1 47 VAL MG1 . . 4.110 3.971 3.886 4.023 . 0 0 "[ . 1 . 2]" 1
553 1 29 TRP H 1 48 LEU H . . 4.760 4.114 3.930 4.255 . 0 0 "[ . 1 . 2]" 1
554 1 29 TRP H 1 48 LEU HA . . 5.500 4.579 4.419 4.737 . 0 0 "[ . 1 . 2]" 1
555 1 29 TRP H 1 48 LEU HB2 . . 4.840 4.562 4.268 4.829 . 0 0 "[ . 1 . 2]" 1
556 1 29 TRP H 1 48 LEU HB3 . . 4.260 2.919 2.619 3.214 . 0 0 "[ . 1 . 2]" 1
557 1 29 TRP H 1 48 LEU MD2 . . 4.470 4.222 4.071 4.417 . 0 0 "[ . 1 . 2]" 1
558 1 29 TRP H 1 49 SER HA . . 4.570 3.246 3.135 3.362 . 0 0 "[ . 1 . 2]" 1
559 1 29 TRP HA 1 29 TRP HE3 . . 3.080 1.912 1.877 1.943 . 0 0 "[ . 1 . 2]" 1
560 1 29 TRP HA 1 106 TYR H . . 5.230 3.811 3.722 3.920 . 0 0 "[ . 1 . 2]" 1
561 1 29 TRP HA 1 108 ARG H . . 5.040 3.828 3.636 4.012 . 0 0 "[ . 1 . 2]" 1
562 1 29 TRP HB2 1 29 TRP HD1 . . 3.210 2.609 2.607 2.613 . 0 0 "[ . 1 . 2]" 1
563 1 29 TRP HB2 1 29 TRP HE1 . . 5.190 4.910 4.909 4.912 . 0 0 "[ . 1 . 2]" 1
564 1 29 TRP HB2 1 30 THR H . . 5.460 4.392 4.314 4.464 . 0 0 "[ . 1 . 2]" 1
565 1 29 TRP HB2 1 108 ARG H . . 4.050 2.969 2.679 3.254 . 0 0 "[ . 1 . 2]" 1
566 1 29 TRP HB2 1 108 ARG QB . . 3.440 2.203 1.966 2.377 . 0 0 "[ . 1 . 2]" 1
567 1 29 TRP HB2 1 108 ARG QD . . 4.290 2.740 2.396 3.124 . 0 0 "[ . 1 . 2]" 1
568 1 29 TRP HB2 1 108 ARG HG2 . . 4.020 3.862 3.577 4.046 0.026 11 0 "[ . 1 . 2]" 1
569 1 29 TRP HB2 1 108 ARG HG3 . . 3.810 2.268 1.983 2.457 . 0 0 "[ . 1 . 2]" 1
570 1 29 TRP HB2 1 109 GLN H . . 4.890 4.128 3.947 4.581 . 0 0 "[ . 1 . 2]" 1
571 1 29 TRP HB2 1 109 GLN HE21 . . 5.500 3.626 3.223 4.315 . 0 0 "[ . 1 . 2]" 1
572 1 29 TRP HB2 1 109 GLN HE22 . . 5.130 4.223 3.550 4.979 . 0 0 "[ . 1 . 2]" 1
573 1 29 TRP HB3 1 29 TRP HD1 . . 3.610 3.537 3.518 3.551 . 0 0 "[ . 1 . 2]" 1
574 1 29 TRP HB3 1 29 TRP HE3 . . 4.090 3.073 3.050 3.103 . 0 0 "[ . 1 . 2]" 1
575 1 29 TRP HB3 1 106 TYR HB2 . . 4.390 3.197 2.900 3.329 . 0 0 "[ . 1 . 2]" 1
576 1 29 TRP HB3 1 106 TYR HB3 . . 4.520 4.416 4.316 4.556 0.036 8 0 "[ . 1 . 2]" 1
577 1 29 TRP HB3 1 108 ARG H . . 3.850 2.202 1.960 2.413 . 0 0 "[ . 1 . 2]" 1
578 1 29 TRP HB3 1 108 ARG QB . . 3.690 2.894 2.675 3.137 . 0 0 "[ . 1 . 2]" 1
579 1 29 TRP HB3 1 108 ARG QD . . 4.510 3.614 3.283 4.000 . 0 0 "[ . 1 . 2]" 1
580 1 29 TRP HB3 1 108 ARG HG2 . . 4.080 3.680 3.483 3.886 . 0 0 "[ . 1 . 2]" 1
581 1 29 TRP HB3 1 108 ARG HG3 . . 3.900 2.083 1.988 2.269 . 0 0 "[ . 1 . 2]" 1
582 1 29 TRP HB3 1 109 GLN H . . 4.750 4.328 4.107 4.502 . 0 0 "[ . 1 . 2]" 1
583 1 29 TRP HD1 1 108 ARG QB . . 3.920 3.929 3.682 3.999 0.079 1 0 "[ . 1 . 2]" 1
584 1 29 TRP HD1 1 108 ARG QD . . 3.540 2.063 1.874 2.333 . 0 0 "[ . 1 . 2]" 1
585 1 29 TRP HD1 1 108 ARG HG3 . . 3.840 3.079 2.478 3.308 . 0 0 "[ . 1 . 2]" 1
586 1 29 TRP HE1 1 50 ASP HB2 . . 5.120 3.833 3.639 4.012 . 0 0 "[ . 1 . 2]" 1
587 1 29 TRP HE1 1 50 ASP HB3 . . 4.560 2.925 2.721 3.155 . 0 0 "[ . 1 . 2]" 1
588 1 29 TRP HE1 1 106 TYR QD . . 4.690 4.649 3.738 4.715 0.025 12 0 "[ . 1 . 2]" 1
589 1 29 TRP HE1 1 108 ARG QD . . 5.500 4.046 3.607 4.368 . 0 0 "[ . 1 . 2]" 1
590 1 29 TRP HE3 1 30 THR H . . 5.200 4.477 4.363 4.617 . 0 0 "[ . 1 . 2]" 1
591 1 29 TRP HE3 1 47 VAL MG1 . . 3.200 2.950 2.857 3.075 . 0 0 "[ . 1 . 2]" 1
592 1 29 TRP HE3 1 49 SER HA . . 3.990 3.093 2.957 3.236 . 0 0 "[ . 1 . 2]" 1
593 1 29 TRP HE3 1 105 VAL HA . . 4.210 3.560 3.469 3.667 . 0 0 "[ . 1 . 2]" 1
594 1 29 TRP HE3 1 105 VAL MG1 . . 3.740 1.962 1.950 1.995 . 0 0 "[ . 1 . 2]" 1
595 1 29 TRP HE3 1 105 VAL MG2 . . 4.240 3.944 3.768 4.197 . 0 0 "[ . 1 . 2]" 1
596 1 29 TRP HE3 1 106 TYR H . . 3.340 2.244 2.165 2.323 . 0 0 "[ . 1 . 2]" 1
597 1 29 TRP HH2 1 49 SER HA . . 4.200 4.062 3.908 4.193 . 0 0 "[ . 1 . 2]" 1
598 1 29 TRP HH2 1 49 SER HB2 . . 3.730 3.579 3.373 3.739 0.009 3 0 "[ . 1 . 2]" 1
599 1 29 TRP HH2 1 50 ASP H . . 3.800 3.119 2.964 3.316 . 0 0 "[ . 1 . 2]" 1
600 1 29 TRP HH2 1 105 VAL HA . . 3.720 3.038 2.975 3.091 . 0 0 "[ . 1 . 2]" 1
601 1 29 TRP HH2 1 105 VAL MG1 . . 4.370 4.093 3.912 4.225 . 0 0 "[ . 1 . 2]" 1
602 1 29 TRP HH2 1 105 VAL MG2 . . 4.420 3.097 2.939 3.466 . 0 0 "[ . 1 . 2]" 1
603 1 29 TRP HZ2 1 50 ASP H . . 3.990 3.455 3.282 3.657 . 0 0 "[ . 1 . 2]" 1
604 1 29 TRP HZ2 1 50 ASP HB2 . . 4.200 4.130 3.972 4.217 0.017 12 0 "[ . 1 . 2]" 1
605 1 29 TRP HZ2 1 50 ASP HB3 . . 3.780 2.972 2.798 3.106 . 0 0 "[ . 1 . 2]" 1
606 1 29 TRP HZ2 1 106 TYR QD . . 3.970 3.970 3.892 4.020 0.050 15 0 "[ . 1 . 2]" 1
607 1 29 TRP HZ3 1 47 VAL MG1 . . 3.790 3.839 3.806 3.885 0.095 13 0 "[ . 1 . 2]" 1
608 1 29 TRP HZ3 1 49 SER HA . . 3.300 2.830 2.701 3.018 . 0 0 "[ . 1 . 2]" 1
609 1 29 TRP HZ3 1 49 SER HB2 . . 4.310 3.049 2.800 3.477 . 0 0 "[ . 1 . 2]" 1
610 1 29 TRP HZ3 1 49 SER HB3 . . 4.310 4.249 4.047 4.335 0.025 15 0 "[ . 1 . 2]" 1
611 1 29 TRP HZ3 1 50 ASP H . . 5.500 3.620 3.413 3.826 . 0 0 "[ . 1 . 2]" 1
612 1 29 TRP HZ3 1 105 VAL H . . 5.460 4.679 4.639 4.726 . 0 0 "[ . 1 . 2]" 1
613 1 29 TRP HZ3 1 105 VAL HA . . 3.110 1.969 1.960 1.983 . 0 0 "[ . 1 . 2]" 1
614 1 29 TRP HZ3 1 105 VAL HB . . 3.760 3.819 3.792 3.876 0.116 19 0 "[ . 1 . 2]" 1
615 1 29 TRP HZ3 1 105 VAL MG1 . . 3.300 1.981 1.878 2.081 . 0 0 "[ . 1 . 2]" 1
616 1 29 TRP HZ3 1 105 VAL MG2 . . 3.760 2.004 1.926 2.228 . 0 0 "[ . 1 . 2]" 1
617 1 29 TRP HZ3 1 106 TYR H . . 3.520 2.818 2.599 2.885 . 0 0 "[ . 1 . 2]" 1
618 1 30 THR H 1 30 THR HB . . 3.260 2.639 2.500 2.802 . 0 0 "[ . 1 . 2]" 1
619 1 30 THR H 1 30 THR HG1 . . 3.530 3.214 2.442 3.564 0.034 3 0 "[ . 1 . 2]" 1
620 1 30 THR H 1 30 THR MG . . 3.970 3.842 3.798 3.884 . 0 0 "[ . 1 . 2]" 1
621 1 30 THR H 1 31 PHE H . . 4.730 4.309 4.249 4.372 . 0 0 "[ . 1 . 2]" 1
622 1 30 THR H 1 47 VAL MG1 . . 4.130 3.124 2.935 3.310 . 0 0 "[ . 1 . 2]" 1
623 1 30 THR H 1 47 VAL MG2 . . 5.310 5.083 4.850 5.190 . 0 0 "[ . 1 . 2]" 1
624 1 30 THR H 1 48 LEU H . . 4.400 2.352 2.077 2.554 . 0 0 "[ . 1 . 2]" 1
625 1 30 THR H 1 48 LEU HA . . 5.500 4.235 4.076 4.427 . 0 0 "[ . 1 . 2]" 1
626 1 30 THR H 1 48 LEU HB2 . . 4.500 3.233 3.026 3.546 . 0 0 "[ . 1 . 2]" 1
627 1 30 THR H 1 48 LEU HB3 . . 3.790 2.127 2.007 2.319 . 0 0 "[ . 1 . 2]" 1
628 1 30 THR H 1 48 LEU MD2 . . 4.190 3.888 3.760 4.029 . 0 0 "[ . 1 . 2]" 1
629 1 30 THR HA 1 30 THR MG . . 3.120 2.349 2.277 2.411 . 0 0 "[ . 1 . 2]" 1
630 1 30 THR HA 1 31 PHE H . . 2.980 2.150 2.149 2.151 . 0 0 "[ . 1 . 2]" 1
631 1 30 THR HA 1 108 ARG H . . 4.790 4.128 3.748 4.789 . 0 0 "[ . 1 . 2]" 1
632 1 30 THR HA 1 109 GLN H . . 3.670 2.992 2.841 3.228 . 0 0 "[ . 1 . 2]" 1
633 1 30 THR HA 1 109 GLN HE21 . . 4.510 3.635 3.426 3.839 . 0 0 "[ . 1 . 2]" 1
634 1 30 THR HA 1 109 GLN HE22 . . 5.470 5.299 5.065 5.489 0.019 18 0 "[ . 1 . 2]" 1
635 1 30 THR HA 1 109 GLN HG2 . . 4.440 3.022 2.948 3.105 . 0 0 "[ . 1 . 2]" 1
636 1 30 THR HA 1 109 GLN HG3 . . 4.300 4.551 4.460 4.624 0.324 20 0 "[ . 1 . 2]" 1
637 1 30 THR HA 1 110 PRO HA . . 4.630 3.953 3.804 4.036 . 0 0 "[ . 1 . 2]" 1
638 1 30 THR HA 1 111 TYR H . . 5.450 5.301 4.799 5.519 0.069 11 0 "[ . 1 . 2]" 1
639 1 30 THR HB 1 31 PHE H . . 4.530 4.353 4.247 4.423 . 0 0 "[ . 1 . 2]" 1
640 1 30 THR HB 1 48 LEU H . . 4.750 3.278 3.197 3.354 . 0 0 "[ . 1 . 2]" 1
641 1 30 THR HB 1 48 LEU HB2 . . 4.160 2.707 2.550 2.983 . 0 0 "[ . 1 . 2]" 1
642 1 30 THR HB 1 48 LEU HB3 . . 4.010 2.635 2.457 2.920 . 0 0 "[ . 1 . 2]" 1
643 1 30 THR HB 1 48 LEU MD2 . . 3.940 2.883 2.748 3.102 . 0 0 "[ . 1 . 2]" 1
644 1 30 THR HB 1 109 GLN HE21 . . 5.160 5.173 4.853 5.219 0.059 20 0 "[ . 1 . 2]" 1
645 1 30 THR HG1 1 31 PHE H . . 5.500 5.239 4.551 5.608 0.108 11 0 "[ . 1 . 2]" 1
646 1 30 THR HG1 1 109 GLN HE21 . . 4.210 3.350 2.441 3.885 . 0 0 "[ . 1 . 2]" 1
647 1 30 THR HG1 1 109 GLN HE22 . . 5.200 4.228 3.504 4.629 . 0 0 "[ . 1 . 2]" 1
648 1 30 THR MG 1 31 PHE H . . 3.090 3.067 2.969 3.117 0.027 17 0 "[ . 1 . 2]" 1
649 1 30 THR MG 1 109 GLN H . . 4.960 4.031 3.913 4.209 . 0 0 "[ . 1 . 2]" 1
650 1 30 THR MG 1 109 GLN HB2 . . 4.540 4.492 4.314 4.619 0.079 18 0 "[ . 1 . 2]" 1
651 1 30 THR MG 1 109 GLN HB3 . . 4.830 4.912 4.877 4.934 0.104 5 0 "[ . 1 . 2]" 1
652 1 30 THR MG 1 109 GLN HE21 . . 5.120 3.658 2.956 3.997 . 0 0 "[ . 1 . 2]" 1
653 1 30 THR MG 1 109 GLN HG2 . . 4.340 2.395 2.341 2.458 . 0 0 "[ . 1 . 2]" 1
654 1 30 THR MG 1 109 GLN HG3 . . 3.170 2.939 2.889 2.993 . 0 0 "[ . 1 . 2]" 1
655 1 30 THR MG 1 110 PRO HA . . 4.340 3.304 3.153 3.440 . 0 0 "[ . 1 . 2]" 1
656 1 30 THR MG 1 111 TYR H . . 4.170 3.293 2.840 3.569 . 0 0 "[ . 1 . 2]" 1
657 1 30 THR MG 1 111 TYR HA . . 3.440 2.620 1.818 2.829 . 0 0 "[ . 1 . 2]" 1
658 1 30 THR MG 1 111 TYR HB2 . . 3.770 2.260 1.785 2.731 . 0 0 "[ . 1 . 2]" 1
659 1 30 THR MG 1 111 TYR HB3 . . 3.760 3.636 3.024 3.846 0.086 10 0 "[ . 1 . 2]" 1
660 1 30 THR MG 1 111 TYR QD . . 3.210 2.662 2.315 2.958 . 0 0 "[ . 1 . 2]" 1
661 1 30 THR MG 1 112 TYR H . . 4.450 4.398 4.164 4.492 0.042 9 0 "[ . 1 . 2]" 1
662 1 31 PHE H 1 31 PHE QD . . 4.620 1.929 1.883 1.956 . 0 0 "[ . 1 . 2]" 1
663 1 31 PHE H 1 31 PHE QE . . 4.240 4.113 4.081 4.144 . 0 0 "[ . 1 . 2]" 1
664 1 31 PHE H 1 32 LEU H . . 5.190 4.536 4.526 4.542 . 0 0 "[ . 1 . 2]" 1
665 1 31 PHE H 1 47 VAL HA . . 5.060 4.227 4.156 4.348 . 0 0 "[ . 1 . 2]" 1
666 1 31 PHE H 1 109 GLN H . . 4.590 3.892 3.542 4.070 . 0 0 "[ . 1 . 2]" 1
667 1 31 PHE HA 1 32 LEU H . . 3.140 2.506 2.487 2.541 . 0 0 "[ . 1 . 2]" 1
668 1 31 PHE HA 1 45 LEU MD1 . . 3.610 3.336 3.027 3.511 . 0 0 "[ . 1 . 2]" 1
669 1 31 PHE HA 1 46 SER H . . 5.500 4.794 4.496 5.024 . 0 0 "[ . 1 . 2]" 1
670 1 31 PHE HA 1 47 VAL HA . . 3.310 1.952 1.925 1.981 . 0 0 "[ . 1 . 2]" 1
671 1 31 PHE HA 1 47 VAL MG1 . . 3.960 3.331 3.275 3.362 . 0 0 "[ . 1 . 2]" 1
672 1 31 PHE HA 1 47 VAL MG2 . . 3.850 2.346 2.127 2.610 . 0 0 "[ . 1 . 2]" 1
673 1 31 PHE HA 1 48 LEU H . . 4.220 3.481 3.440 3.522 . 0 0 "[ . 1 . 2]" 1
674 1 31 PHE HA 1 107 LEU MD2 . . 4.590 4.018 3.930 4.098 . 0 0 "[ . 1 . 2]" 1
675 1 31 PHE HB2 1 32 LEU H . . 3.760 2.653 2.608 2.692 . 0 0 "[ . 1 . 2]" 1
676 1 31 PHE HB2 1 45 LEU MD1 . . 3.730 1.965 1.829 2.129 . 0 0 "[ . 1 . 2]" 1
677 1 31 PHE HB2 1 45 LEU MD2 . . 4.510 3.521 3.347 3.690 . 0 0 "[ . 1 . 2]" 1
678 1 31 PHE HB2 1 47 VAL HB . . 4.790 4.695 4.578 4.798 0.008 19 0 "[ . 1 . 2]" 1
679 1 31 PHE HB2 1 47 VAL MG1 . . 3.780 3.767 3.686 3.813 0.033 2 0 "[ . 1 . 2]" 1
680 1 31 PHE HB2 1 47 VAL MG2 . . 3.350 1.916 1.832 2.016 . 0 0 "[ . 1 . 2]" 1
681 1 31 PHE HB2 1 48 LEU H . . 5.500 5.429 5.382 5.495 . 0 0 "[ . 1 . 2]" 1
682 1 31 PHE HB2 1 107 LEU MD2 . . 3.790 2.013 1.960 2.121 . 0 0 "[ . 1 . 2]" 1
683 1 31 PHE HB3 1 32 LEU H . . 4.080 4.012 3.977 4.036 . 0 0 "[ . 1 . 2]" 1
684 1 31 PHE HB3 1 47 VAL HB . . 4.730 4.777 4.741 4.825 0.095 18 0 "[ . 1 . 2]" 1
685 1 31 PHE HB3 1 47 VAL MG1 . . 3.500 2.987 2.862 3.161 . 0 0 "[ . 1 . 2]" 1
686 1 31 PHE HB3 1 47 VAL MG2 . . 3.360 2.061 1.953 2.260 . 0 0 "[ . 1 . 2]" 1
687 1 31 PHE HB3 1 48 LEU H . . 5.410 4.839 4.745 4.978 . 0 0 "[ . 1 . 2]" 1
688 1 31 PHE HB3 1 107 LEU MD2 . . 3.380 2.279 2.106 2.427 . 0 0 "[ . 1 . 2]" 1
689 1 31 PHE HB3 1 109 GLN H . . 5.500 5.319 4.666 5.534 0.034 20 0 "[ . 1 . 2]" 1
690 1 31 PHE QD 1 32 LEU H . . 5.500 2.923 2.854 2.991 . 0 0 "[ . 1 . 2]" 1
691 1 31 PHE QD 1 33 VAL MG2 . . 4.060 2.993 2.873 3.142 . 0 0 "[ . 1 . 2]" 1
692 1 31 PHE QD 1 89 VAL MG1 . . 3.660 3.220 2.933 3.414 . 0 0 "[ . 1 . 2]" 1
693 1 31 PHE QD 1 89 VAL MG2 . . 4.510 2.748 2.513 2.983 . 0 0 "[ . 1 . 2]" 1
694 1 31 PHE QD 1 107 LEU HA . . 4.650 3.462 3.289 3.633 . 0 0 "[ . 1 . 2]" 1
695 1 31 PHE QD 1 107 LEU HB3 . . 4.660 2.248 2.049 2.437 . 0 0 "[ . 1 . 2]" 1
696 1 31 PHE QD 1 107 LEU MD1 . . 4.590 4.564 4.489 4.665 0.075 14 0 "[ . 1 . 2]" 1
697 1 31 PHE QD 1 107 LEU MD2 . . 4.420 2.559 2.487 2.655 . 0 0 "[ . 1 . 2]" 1
698 1 31 PHE QD 1 110 PRO HA . . 4.390 2.713 2.357 2.886 . 0 0 "[ . 1 . 2]" 1
699 1 31 PHE QD 1 110 PRO QD . . 4.160 4.082 3.949 4.169 0.009 16 0 "[ . 1 . 2]" 1
700 1 31 PHE QE 1 45 LEU MD1 . . 4.280 3.513 3.316 3.907 . 0 0 "[ . 1 . 2]" 1
701 1 31 PHE QE 1 89 VAL H . . 5.500 5.501 5.331 5.543 0.043 11 0 "[ . 1 . 2]" 1
702 1 31 PHE QE 1 89 VAL HB . . 3.860 3.700 3.631 3.752 . 0 0 "[ . 1 . 2]" 1
703 1 31 PHE QE 1 89 VAL MG1 . . 3.430 1.943 1.870 2.025 . 0 0 "[ . 1 . 2]" 1
704 1 31 PHE QE 1 89 VAL MG2 . . 3.910 2.143 1.968 2.420 . 0 0 "[ . 1 . 2]" 1
705 1 31 PHE QE 1 107 LEU MD2 . . 4.700 3.450 3.350 3.662 . 0 0 "[ . 1 . 2]" 1
706 1 31 PHE QE 1 110 PRO HA . . 4.550 3.038 2.746 3.269 . 0 0 "[ . 1 . 2]" 1
707 1 31 PHE QE 1 110 PRO HB3 . . 4.300 2.586 2.435 2.818 . 0 0 "[ . 1 . 2]" 1
708 1 31 PHE QE 1 110 PRO QD . . 4.280 2.513 2.316 2.652 . 0 0 "[ . 1 . 2]" 1
709 1 31 PHE QE 1 110 PRO HG2 . . 4.110 4.155 4.122 4.204 0.094 18 0 "[ . 1 . 2]" 1
710 1 31 PHE QE 1 110 PRO HG3 . . 4.550 2.902 2.799 3.049 . 0 0 "[ . 1 . 2]" 1
711 1 32 LEU H 1 32 LEU HB3 . . 3.930 3.350 3.262 3.491 . 0 0 "[ . 1 . 2]" 1
712 1 32 LEU H 1 32 LEU MD2 . . 4.240 4.190 3.972 4.284 0.044 15 0 "[ . 1 . 2]" 1
713 1 32 LEU H 1 32 LEU HG . . 3.760 2.891 2.755 2.998 . 0 0 "[ . 1 . 2]" 1
714 1 32 LEU H 1 33 VAL HA . . 5.500 4.392 4.371 4.427 . 0 0 "[ . 1 . 2]" 1
715 1 32 LEU H 1 33 VAL MG2 . . 5.500 4.106 4.032 4.196 . 0 0 "[ . 1 . 2]" 1
716 1 32 LEU H 1 45 LEU HB2 . . 5.500 5.271 5.121 5.346 . 0 0 "[ . 1 . 2]" 1
717 1 32 LEU H 1 45 LEU MD1 . . 3.640 2.123 2.056 2.211 . 0 0 "[ . 1 . 2]" 1
718 1 32 LEU H 1 45 LEU MD2 . . 4.680 4.698 4.650 4.737 0.057 16 0 "[ . 1 . 2]" 1
719 1 32 LEU H 1 46 SER QB . . 4.740 4.129 3.965 4.313 . 0 0 "[ . 1 . 2]" 1
720 1 32 LEU H 1 47 VAL HA . . 4.610 4.014 3.928 4.087 . 0 0 "[ . 1 . 2]" 1
721 1 32 LEU H 1 47 VAL MG1 . . 5.200 5.237 5.192 5.267 0.067 19 0 "[ . 1 . 2]" 1
722 1 32 LEU H 1 47 VAL MG2 . . 3.970 3.139 2.958 3.358 . 0 0 "[ . 1 . 2]" 1
723 1 32 LEU H 1 107 LEU MD2 . . 4.690 4.221 4.138 4.272 . 0 0 "[ . 1 . 2]" 1
724 1 32 LEU H 1 111 TYR H . . 5.500 5.003 4.658 5.455 . 0 0 "[ . 1 . 2]" 1
725 1 32 LEU HA 1 32 LEU MD1 . . 4.070 3.341 3.210 3.496 . 0 0 "[ . 1 . 2]" 1
726 1 32 LEU HA 1 32 LEU MD2 . . 4.350 4.113 4.073 4.132 . 0 0 "[ . 1 . 2]" 1
727 1 32 LEU HA 1 33 VAL H . . 3.310 2.252 2.223 2.312 . 0 0 "[ . 1 . 2]" 1
728 1 32 LEU HA 1 33 VAL MG2 . . 3.340 3.197 3.125 3.272 . 0 0 "[ . 1 . 2]" 1
729 1 32 LEU HA 1 111 TYR H . . 4.910 3.283 3.089 3.550 . 0 0 "[ . 1 . 2]" 1
730 1 32 LEU HB2 1 32 LEU MD2 . . 3.110 2.607 2.546 2.749 . 0 0 "[ . 1 . 2]" 1
731 1 32 LEU HB2 1 33 VAL H . . 3.890 3.128 2.935 3.231 . 0 0 "[ . 1 . 2]" 1
732 1 32 LEU HB3 1 32 LEU MD1 . . 3.100 3.184 3.148 3.196 0.096 15 0 "[ . 1 . 2]" 1
733 1 32 LEU HB3 1 32 LEU MD2 . . 3.610 2.106 1.978 2.199 . 0 0 "[ . 1 . 2]" 1
734 1 32 LEU HB3 1 111 TYR H . . 4.700 2.786 2.439 3.276 . 0 0 "[ . 1 . 2]" 1
735 1 32 LEU HB3 1 111 TYR HB2 . . 4.120 2.583 2.000 3.541 . 0 0 "[ . 1 . 2]" 1
736 1 32 LEU HB3 1 111 TYR HB3 . . 4.020 1.963 1.934 2.068 . 0 0 "[ . 1 . 2]" 1
737 1 32 LEU MD1 1 33 VAL H . . 3.410 2.953 2.618 3.391 . 0 0 "[ . 1 . 2]" 1
738 1 32 LEU MD1 1 33 VAL HA . . 4.120 3.321 3.134 3.525 . 0 0 "[ . 1 . 2]" 1
739 1 32 LEU MD1 1 34 ARG H . . 4.500 3.519 3.248 3.741 . 0 0 "[ . 1 . 2]" 1
740 1 32 LEU MD1 1 34 ARG HA . . 4.590 3.839 3.632 4.168 . 0 0 "[ . 1 . 2]" 1
741 1 32 LEU MD1 1 34 ARG HB2 . . 4.040 3.725 3.497 3.927 . 0 0 "[ . 1 . 2]" 1
742 1 32 LEU MD1 1 34 ARG HB3 . . 3.070 2.442 2.134 2.882 . 0 0 "[ . 1 . 2]" 1
743 1 32 LEU MD1 1 34 ARG HD2 . . 4.440 3.399 2.460 4.374 . 0 0 "[ . 1 . 2]" 1
744 1 32 LEU MD1 1 34 ARG HD3 . . 3.590 2.533 1.976 3.488 . 0 0 "[ . 1 . 2]" 1
745 1 32 LEU MD1 1 34 ARG HE . . 5.260 4.118 3.738 4.863 . 0 0 "[ . 1 . 2]" 1
746 1 32 LEU MD1 1 45 LEU HA . . 4.470 4.042 3.622 4.396 . 0 0 "[ . 1 . 2]" 1
747 1 32 LEU MD1 1 46 SER H . . 4.140 3.092 2.324 3.527 . 0 0 "[ . 1 . 2]" 1
748 1 32 LEU MD1 1 46 SER QB . . 3.320 3.163 2.578 3.354 0.034 3 0 "[ . 1 . 2]" 1
749 1 32 LEU MD2 1 33 VAL H . . 5.400 4.981 4.775 5.112 . 0 0 "[ . 1 . 2]" 1
750 1 32 LEU MD2 1 46 SER QB . . 4.390 2.836 2.493 3.062 . 0 0 "[ . 1 . 2]" 1
751 1 32 LEU MD2 1 111 TYR H . . 5.450 4.127 3.712 4.569 . 0 0 "[ . 1 . 2]" 1
752 1 32 LEU MD2 1 111 TYR HB2 . . 3.930 2.701 2.005 3.423 . 0 0 "[ . 1 . 2]" 1
753 1 32 LEU MD2 1 111 TYR HB3 . . 3.690 2.417 2.071 2.666 . 0 0 "[ . 1 . 2]" 1
754 1 32 LEU MD2 1 111 TYR QD . . 3.620 1.919 1.793 2.088 . 0 0 "[ . 1 . 2]" 1
755 1 32 LEU MD2 1 111 TYR QE . . 4.190 3.204 3.025 3.436 . 0 0 "[ . 1 . 2]" 1
756 1 32 LEU HG 1 33 VAL H . . 5.210 4.670 4.448 4.929 . 0 0 "[ . 1 . 2]" 1
757 1 32 LEU HG 1 46 SER QB . . 3.910 2.550 2.376 2.705 . 0 0 "[ . 1 . 2]" 1
758 1 33 VAL H 1 33 VAL HB . . 3.720 2.586 2.539 2.657 . 0 0 "[ . 1 . 2]" 1
759 1 33 VAL H 1 33 VAL MG2 . . 3.230 2.126 1.966 2.270 . 0 0 "[ . 1 . 2]" 1
760 1 33 VAL HA 1 33 VAL MG1 . . 3.250 2.236 2.173 2.361 . 0 0 "[ . 1 . 2]" 1
761 1 33 VAL HA 1 33 VAL MG2 . . 3.190 2.511 2.455 2.587 . 0 0 "[ . 1 . 2]" 1
762 1 33 VAL HA 1 34 ARG H . . 3.060 2.216 2.191 2.251 . 0 0 "[ . 1 . 2]" 1
763 1 33 VAL HA 1 34 ARG QG . . 4.270 3.575 3.198 4.113 . 0 0 "[ . 1 . 2]" 1
764 1 33 VAL HA 1 45 LEU HA . . 3.530 3.027 2.907 3.236 . 0 0 "[ . 1 . 2]" 1
765 1 33 VAL HA 1 45 LEU MD1 . . 4.620 2.918 2.655 3.332 . 0 0 "[ . 1 . 2]" 1
766 1 33 VAL HB 1 34 ARG H . . 5.100 4.077 3.947 4.212 . 0 0 "[ . 1 . 2]" 1
767 1 33 VAL HB 1 85 LEU MD1 . . 4.660 4.325 4.114 4.644 . 0 0 "[ . 1 . 2]" 1
768 1 33 VAL MG1 1 34 ARG H . . 3.270 2.650 2.518 2.783 . 0 0 "[ . 1 . 2]" 1
769 1 33 VAL MG1 1 34 ARG HA . . 4.600 3.751 3.578 3.860 . 0 0 "[ . 1 . 2]" 1
770 1 33 VAL MG1 1 43 PHE HB2 . . 3.840 3.835 3.756 3.861 0.021 1 0 "[ . 1 . 2]" 1
771 1 33 VAL MG1 1 43 PHE HB3 . . 3.510 2.849 2.722 2.970 . 0 0 "[ . 1 . 2]" 1
772 1 33 VAL MG1 1 43 PHE QD . . 3.610 3.223 2.611 3.514 . 0 0 "[ . 1 . 2]" 1
773 1 33 VAL MG1 1 44 VAL H . . 4.040 4.052 3.988 4.077 0.037 15 0 "[ . 1 . 2]" 1
774 1 33 VAL MG1 1 45 LEU HA . . 4.120 4.115 3.991 4.155 0.035 11 0 "[ . 1 . 2]" 1
775 1 33 VAL MG1 1 85 LEU MD1 . . 3.080 2.041 1.862 2.387 . 0 0 "[ . 1 . 2]" 1
776 1 33 VAL MG2 1 34 ARG H . . 4.440 4.222 4.158 4.300 . 0 0 "[ . 1 . 2]" 1
777 1 33 VAL MG2 1 45 LEU HB2 . . 4.030 3.885 3.575 4.052 0.022 19 0 "[ . 1 . 2]" 1
778 1 33 VAL MG2 1 45 LEU MD1 . . 3.130 2.492 2.130 2.978 . 0 0 "[ . 1 . 2]" 1
779 1 33 VAL MG2 1 45 LEU MD2 . . 3.790 3.796 3.751 3.825 0.035 2 0 "[ . 1 . 2]" 1
780 1 33 VAL MG2 1 85 LEU MD1 . . 4.280 2.786 2.577 3.050 . 0 0 "[ . 1 . 2]" 1
781 1 33 VAL MG2 1 89 VAL MG1 . . 4.210 3.552 3.344 3.793 . 0 0 "[ . 1 . 2]" 1
782 1 33 VAL MG2 1 89 VAL MG2 . . 3.200 2.200 1.903 2.408 . 0 0 "[ . 1 . 2]" 1
783 1 34 ARG H 1 34 ARG HD3 . . 5.200 4.644 3.794 5.096 . 0 0 "[ . 1 . 2]" 1
784 1 34 ARG H 1 34 ARG HE . . 5.410 5.193 4.509 5.488 0.078 7 0 "[ . 1 . 2]" 1
785 1 34 ARG H 1 34 ARG QG . . 3.560 2.269 2.147 2.401 . 0 0 "[ . 1 . 2]" 1
786 1 34 ARG H 1 35 GLU H . . 5.500 4.349 4.263 4.416 . 0 0 "[ . 1 . 2]" 1
787 1 34 ARG H 1 43 PHE HB3 . . 5.090 3.644 3.435 3.870 . 0 0 "[ . 1 . 2]" 1
788 1 34 ARG H 1 43 PHE QD . . 5.500 4.210 3.282 4.576 . 0 0 "[ . 1 . 2]" 1
789 1 34 ARG H 1 44 VAL H . . 4.010 2.983 2.830 3.204 . 0 0 "[ . 1 . 2]" 1
790 1 34 ARG H 1 44 VAL HB . . 4.400 4.107 3.944 4.399 . 0 0 "[ . 1 . 2]" 1
791 1 34 ARG H 1 45 LEU HA . . 4.660 3.915 3.688 4.235 . 0 0 "[ . 1 . 2]" 1
792 1 34 ARG HA 1 35 GLU H . . 3.290 2.381 2.275 2.544 . 0 0 "[ . 1 . 2]" 1
793 1 34 ARG HB2 1 34 ARG HD3 . . 4.270 3.362 2.715 3.757 . 0 0 "[ . 1 . 2]" 1
794 1 34 ARG HB2 1 35 GLU H . . 3.830 2.850 2.393 3.185 . 0 0 "[ . 1 . 2]" 1
795 1 34 ARG HB3 1 34 ARG HD2 . . 3.720 2.808 2.488 3.444 . 0 0 "[ . 1 . 2]" 1
796 1 34 ARG HB3 1 34 ARG HD3 . . 3.540 3.007 2.449 3.744 0.204 6 0 "[ . 1 . 2]" 1
797 1 34 ARG HB3 1 35 GLU H . . 4.200 3.929 3.366 4.206 0.006 12 0 "[ . 1 . 2]" 1
798 1 34 ARG HE 1 44 VAL MG1 . . 5.330 2.482 1.926 5.071 . 0 0 "[ . 1 . 2]" 1
799 1 34 ARG QG 1 35 GLU H . . 4.760 3.983 3.319 4.336 . 0 0 "[ . 1 . 2]" 1
800 1 34 ARG QG 1 44 VAL H . . 4.640 2.846 2.581 3.213 . 0 0 "[ . 1 . 2]" 1
801 1 35 GLU H 1 35 GLU HB2 . . 3.740 2.137 2.063 2.279 . 0 0 "[ . 1 . 2]" 1
802 1 35 GLU H 1 35 GLU HB3 . . 3.920 3.190 2.947 3.523 . 0 0 "[ . 1 . 2]" 1
803 1 35 GLU H 1 35 GLU HG2 . . 3.990 4.212 3.948 4.374 0.384 11 0 "[ . 1 . 2]" 1
804 1 35 GLU H 1 35 GLU HG3 . . 4.360 3.597 2.647 3.997 . 0 0 "[ . 1 . 2]" 1
805 1 35 GLU H 1 36 SER H . . 5.280 4.613 4.555 4.654 . 0 0 "[ . 1 . 2]" 1
806 1 35 GLU H 1 43 PHE QD . . 5.410 3.984 3.462 4.656 . 0 0 "[ . 1 . 2]" 1
807 1 35 GLU HA 1 35 GLU HG2 . . 4.080 2.317 1.976 2.671 . 0 0 "[ . 1 . 2]" 1
808 1 35 GLU HA 1 35 GLU HG3 . . 3.920 2.687 2.402 3.168 . 0 0 "[ . 1 . 2]" 1
809 1 35 GLU HA 1 36 SER H . . 3.220 2.283 2.216 2.365 . 0 0 "[ . 1 . 2]" 1
810 1 35 GLU HA 1 43 PHE HA . . 3.420 2.565 2.011 3.067 . 0 0 "[ . 1 . 2]" 1
811 1 35 GLU HA 1 43 PHE QD . . 3.680 2.344 2.007 3.015 . 0 0 "[ . 1 . 2]" 1
812 1 35 GLU HA 1 44 VAL H . . 4.550 3.678 3.175 4.305 . 0 0 "[ . 1 . 2]" 1
813 1 35 GLU HB2 1 36 SER H . . 4.400 4.373 4.273 4.422 0.022 19 0 "[ . 1 . 2]" 1
814 1 35 GLU HB3 1 36 SER H . . 4.270 3.443 3.093 3.751 . 0 0 "[ . 1 . 2]" 1
815 1 35 GLU HG2 1 36 SER H . . 4.690 3.046 2.438 4.272 . 0 0 "[ . 1 . 2]" 1
816 1 35 GLU HG2 1 43 PHE QE . . 4.430 3.049 1.994 3.709 . 0 0 "[ . 1 . 2]" 1
817 1 35 GLU HG3 1 36 SER H . . 4.400 4.286 3.891 4.691 0.291 4 0 "[ . 1 . 2]" 1
818 1 35 GLU HG3 1 43 PHE QE . . 4.220 2.330 1.995 2.982 . 0 0 "[ . 1 . 2]" 1
819 1 36 SER H 1 36 SER HB2 . . 3.570 2.180 2.018 3.561 . 0 0 "[ . 1 . 2]" 1
820 1 36 SER H 1 36 SER HB3 . . 3.430 3.048 2.601 3.235 . 0 0 "[ . 1 . 2]" 1
821 1 36 SER H 1 37 LEU H . . 5.500 4.532 4.351 4.629 . 0 0 "[ . 1 . 2]" 1
822 1 36 SER H 1 42 ASP QB . . 4.880 4.052 3.692 4.345 . 0 0 "[ . 1 . 2]" 1
823 1 36 SER H 1 43 PHE H . . 5.350 4.513 4.294 4.703 . 0 0 "[ . 1 . 2]" 1
824 1 36 SER H 1 43 PHE HA . . 3.540 2.376 2.062 2.717 . 0 0 "[ . 1 . 2]" 1
825 1 36 SER H 1 43 PHE HB3 . . 5.420 4.745 4.335 5.097 . 0 0 "[ . 1 . 2]" 1
826 1 36 SER H 1 43 PHE QD . . 4.860 4.023 3.669 4.470 . 0 0 "[ . 1 . 2]" 1
827 1 36 SER H 1 44 VAL H . . 4.990 4.015 3.724 4.445 . 0 0 "[ . 1 . 2]" 1
828 1 36 SER H 1 44 VAL MG2 . . 4.580 3.698 3.301 4.482 . 0 0 "[ . 1 . 2]" 1
829 1 36 SER HA 1 37 LEU QB . . 4.320 4.202 3.989 4.395 0.075 20 0 "[ . 1 . 2]" 1
830 1 36 SER HA 1 39 GLN H . . 5.450 4.053 3.799 4.336 . 0 0 "[ . 1 . 2]" 1
831 1 36 SER HA 1 44 VAL MG2 . . 3.460 2.717 2.315 3.116 . 0 0 "[ . 1 . 2]" 1
832 1 36 SER HB2 1 39 GLN H . . 4.650 3.813 2.185 4.310 . 0 0 "[ . 1 . 2]" 1
833 1 36 SER HB2 1 39 GLN HB2 . . 4.550 3.464 2.018 4.288 . 0 0 "[ . 1 . 2]" 1
834 1 36 SER HB2 1 39 GLN HB3 . . 4.580 3.755 2.112 4.252 . 0 0 "[ . 1 . 2]" 1
835 1 36 SER HB2 1 42 ASP H . . 4.450 3.915 3.348 4.434 . 0 0 "[ . 1 . 2]" 1
836 1 36 SER HB2 1 42 ASP QB . . 3.660 2.747 2.408 3.116 . 0 0 "[ . 1 . 2]" 1
837 1 36 SER HB2 1 43 PHE H . . 5.280 3.869 3.446 4.964 . 0 0 "[ . 1 . 2]" 1
838 1 36 SER HB2 1 43 PHE HA . . 4.670 2.990 2.291 4.408 . 0 0 "[ . 1 . 2]" 1
839 1 36 SER HB2 1 44 VAL MG2 . . 3.790 2.811 2.215 3.678 . 0 0 "[ . 1 . 2]" 1
840 1 36 SER HB3 1 39 GLN H . . 4.300 2.271 2.026 3.927 . 0 0 "[ . 1 . 2]" 1
841 1 36 SER HB3 1 39 GLN HB2 . . 4.610 2.475 2.153 3.210 . 0 0 "[ . 1 . 2]" 1
842 1 36 SER HB3 1 39 GLN HB3 . . 4.570 3.026 2.546 3.486 . 0 0 "[ . 1 . 2]" 1
843 1 36 SER HB3 1 42 ASP H . . 4.240 3.937 3.540 4.121 . 0 0 "[ . 1 . 2]" 1
844 1 36 SER HB3 1 42 ASP QB . . 3.610 3.107 2.281 3.474 . 0 0 "[ . 1 . 2]" 1
845 1 36 SER HB3 1 43 PHE H . . 5.500 5.177 3.464 5.497 . 0 0 "[ . 1 . 2]" 1
846 1 36 SER HB3 1 44 VAL MG2 . . 4.460 3.667 2.968 4.009 . 0 0 "[ . 1 . 2]" 1
847 1 37 LEU H 1 37 LEU HG . . 4.520 3.487 2.317 4.518 . 0 0 "[ . 1 . 2]" 1
848 1 37 LEU H 1 38 SER H . . 5.500 2.419 2.109 2.748 . 0 0 "[ . 1 . 2]" 1
849 1 37 LEU HA 1 37 LEU QB . . 2.720 2.467 2.377 2.539 . 0 0 "[ . 1 . 2]" 1
850 1 37 LEU HA 1 37 LEU QD . . 3.060 2.126 1.924 2.531 . 0 0 "[ . 1 . 2]" 1
851 1 37 LEU HA 1 37 LEU HG . . 3.800 2.701 2.251 3.140 . 0 0 "[ . 1 . 2]" 1
852 1 37 LEU QB 1 37 LEU QD . . 2.680 1.941 1.906 1.968 . 0 0 "[ . 1 . 2]" 1
853 1 37 LEU QB 1 38 SER H . . 5.500 2.727 2.483 3.074 . 0 0 "[ . 1 . 2]" 1
854 1 37 LEU QB 1 38 SER HA . . 4.650 3.881 3.800 4.031 . 0 0 "[ . 1 . 2]" 1
855 1 37 LEU QD 1 38 SER H . . 4.690 4.115 3.860 4.307 . 0 0 "[ . 1 . 2]" 1
856 1 38 SER H 1 39 GLN H . . 4.480 2.509 2.256 2.606 . 0 0 "[ . 1 . 2]" 1
857 1 38 SER HA 1 38 SER HB2 . . 3.050 2.881 2.530 3.032 . 0 0 "[ . 1 . 2]" 1
858 1 38 SER HA 1 38 SER HB3 . . 2.990 2.811 2.412 2.985 . 0 0 "[ . 1 . 2]" 1
859 1 38 SER HB2 1 39 GLN H . . 4.510 3.402 2.954 4.059 . 0 0 "[ . 1 . 2]" 1
860 1 38 SER HB3 1 39 GLN H . . 4.790 3.486 3.040 4.258 . 0 0 "[ . 1 . 2]" 1
861 1 39 GLN H 1 39 GLN HB3 . . 4.150 3.469 3.069 3.710 . 0 0 "[ . 1 . 2]" 1
862 1 39 GLN H 1 39 GLN HG3 . . 5.490 4.440 3.966 4.655 . 0 0 "[ . 1 . 2]" 1
863 1 39 GLN H 1 42 ASP QB . . 5.500 4.569 4.013 4.967 . 0 0 "[ . 1 . 2]" 1
864 1 39 GLN HA 1 40 PRO HD2 . . 3.130 2.224 2.197 2.502 . 0 0 "[ . 1 . 2]" 1
865 1 39 GLN HA 1 40 PRO HD3 . . 2.830 2.139 1.933 2.289 . 0 0 "[ . 1 . 2]" 1
866 1 39 GLN HA 1 40 PRO HG2 . . 4.460 4.384 4.363 4.497 0.037 16 0 "[ . 1 . 2]" 1
867 1 39 GLN HB2 1 39 GLN HG2 . . 2.960 2.594 2.455 2.974 0.014 3 0 "[ . 1 . 2]" 1
868 1 39 GLN HB2 1 42 ASP H . . 4.800 4.503 4.001 5.031 0.231 16 0 "[ . 1 . 2]" 1
869 1 39 GLN HB2 1 42 ASP QB . . 3.840 3.036 2.373 3.566 . 0 0 "[ . 1 . 2]" 1
870 1 39 GLN HB3 1 39 GLN HE21 . . 4.620 4.318 3.126 4.614 . 0 0 "[ . 1 . 2]" 1
871 1 39 GLN HB3 1 42 ASP H . . 5.130 3.146 2.879 3.500 . 0 0 "[ . 1 . 2]" 1
872 1 39 GLN HB3 1 42 ASP QB . . 3.650 2.095 1.804 2.317 . 0 0 "[ . 1 . 2]" 1
873 1 39 GLN HE21 1 40 PRO HD2 . . 5.500 4.193 3.539 5.335 . 0 0 "[ . 1 . 2]" 1
874 1 39 GLN HE22 1 40 PRO HD2 . . 5.500 5.069 3.770 5.719 0.219 2 0 "[ . 1 . 2]" 1
875 1 39 GLN HG2 1 42 ASP QB . . 4.500 3.918 2.443 4.536 0.036 4 0 "[ . 1 . 2]" 1
876 1 39 GLN HG3 1 42 ASP H . . 5.500 5.330 4.822 6.044 0.544 1 1 "[+ . 1 . 2]" 1
877 1 39 GLN HG3 1 42 ASP QB . . 4.560 4.125 3.457 4.551 . 0 0 "[ . 1 . 2]" 1
878 1 40 PRO HA 1 41 GLY H . . 3.030 2.159 2.148 2.175 . 0 0 "[ . 1 . 2]" 1
879 1 40 PRO HA 1 42 ASP H . . 4.250 3.712 3.445 4.235 . 0 0 "[ . 1 . 2]" 1
880 1 40 PRO HB2 1 41 GLY H . . 4.660 3.950 3.761 4.055 . 0 0 "[ . 1 . 2]" 1
881 1 40 PRO HB3 1 41 GLY H . . 4.170 4.197 4.050 4.282 0.112 4 0 "[ . 1 . 2]" 1
882 1 40 PRO HG2 1 41 GLY H . . 5.490 5.441 5.385 5.462 . 0 0 "[ . 1 . 2]" 1
883 1 41 GLY H 1 42 ASP H . . 3.780 2.532 2.080 3.189 . 0 0 "[ . 1 . 2]" 1
884 1 41 GLY H 1 42 ASP QB . . 5.500 4.413 4.138 4.733 . 0 0 "[ . 1 . 2]" 1
885 1 42 ASP H 1 42 ASP QB . . 3.380 2.277 2.039 2.569 . 0 0 "[ . 1 . 2]" 1
886 1 42 ASP H 1 43 PHE H . . 4.920 4.490 4.384 4.611 . 0 0 "[ . 1 . 2]" 1
887 1 42 ASP HA 1 43 PHE H . . 3.210 2.710 2.535 2.821 . 0 0 "[ . 1 . 2]" 1
888 1 42 ASP HA 1 43 PHE QD . . 4.240 3.147 2.394 3.690 . 0 0 "[ . 1 . 2]" 1
889 1 42 ASP HA 1 69 CYS H . . 4.400 3.789 3.482 4.397 . 0 0 "[ . 1 . 2]" 1
890 1 42 ASP HA 1 69 CYS HB2 . . 4.510 3.920 3.412 4.446 . 0 0 "[ . 1 . 2]" 1
891 1 42 ASP HA 1 69 CYS HB3 . . 4.820 3.327 2.933 3.731 . 0 0 "[ . 1 . 2]" 1
892 1 42 ASP QB 1 43 PHE H . . 3.360 2.146 1.927 2.538 . 0 0 "[ . 1 . 2]" 1
893 1 42 ASP QB 1 67 VAL H . . 5.260 3.971 3.528 4.707 . 0 0 "[ . 1 . 2]" 1
894 1 43 PHE H 1 43 PHE HB2 . . 3.890 2.666 2.506 2.793 . 0 0 "[ . 1 . 2]" 1
895 1 43 PHE H 1 43 PHE QD . . 3.930 3.016 2.453 3.456 . 0 0 "[ . 1 . 2]" 1
896 1 43 PHE H 1 44 VAL H . . 5.160 4.423 4.387 4.482 . 0 0 "[ . 1 . 2]" 1
897 1 43 PHE H 1 44 VAL HA . . 5.100 4.666 4.612 4.789 . 0 0 "[ . 1 . 2]" 1
898 1 43 PHE H 1 66 LYS HA . . 5.130 5.017 4.825 5.142 0.012 15 0 "[ . 1 . 2]" 1
899 1 43 PHE H 1 67 VAL H . . 4.500 3.207 3.028 3.463 . 0 0 "[ . 1 . 2]" 1
900 1 43 PHE H 1 67 VAL HB . . 3.950 2.926 2.350 3.246 . 0 0 "[ . 1 . 2]" 1
901 1 43 PHE H 1 67 VAL MG1 . . 4.670 3.644 3.309 4.053 . 0 0 "[ . 1 . 2]" 1
902 1 43 PHE H 1 67 VAL MG2 . . 4.770 4.425 3.931 4.690 . 0 0 "[ . 1 . 2]" 1
903 1 43 PHE H 1 69 CYS H . . 5.390 4.911 4.611 5.180 . 0 0 "[ . 1 . 2]" 1
904 1 43 PHE HA 1 43 PHE QD . . 3.770 2.932 2.578 3.242 . 0 0 "[ . 1 . 2]" 1
905 1 43 PHE HA 1 44 VAL H . . 3.250 2.403 2.361 2.467 . 0 0 "[ . 1 . 2]" 1
906 1 43 PHE HA 1 44 VAL HB . . 4.780 4.569 4.483 4.635 . 0 0 "[ . 1 . 2]" 1
907 1 43 PHE HA 1 44 VAL MG2 . . 4.010 3.209 3.105 3.316 . 0 0 "[ . 1 . 2]" 1
908 1 43 PHE HA 1 67 VAL HB . . 4.680 4.548 4.303 4.689 0.009 10 0 "[ . 1 . 2]" 1
909 1 43 PHE HB2 1 44 VAL H . . 4.000 3.806 3.614 3.979 . 0 0 "[ . 1 . 2]" 1
910 1 43 PHE HB2 1 67 VAL H . . 4.840 4.049 3.600 4.393 . 0 0 "[ . 1 . 2]" 1
911 1 43 PHE HB2 1 67 VAL HB . . 3.470 2.208 2.020 2.398 . 0 0 "[ . 1 . 2]" 1
912 1 43 PHE HB2 1 67 VAL MG1 . . 4.060 2.897 2.800 3.003 . 0 0 "[ . 1 . 2]" 1
913 1 43 PHE HB2 1 67 VAL MG2 . . 3.800 3.286 2.895 3.695 . 0 0 "[ . 1 . 2]" 1
914 1 43 PHE HB2 1 85 LEU MD1 . . 4.320 3.211 2.995 3.464 . 0 0 "[ . 1 . 2]" 1
915 1 43 PHE HB2 1 85 LEU MD2 . . 4.770 3.745 3.315 3.985 . 0 0 "[ . 1 . 2]" 1
916 1 43 PHE HB3 1 44 VAL H . . 3.650 2.711 2.567 2.814 . 0 0 "[ . 1 . 2]" 1
917 1 43 PHE HB3 1 44 VAL MG2 . . 4.670 4.633 4.515 4.698 0.028 1 0 "[ . 1 . 2]" 1
918 1 43 PHE HB3 1 67 VAL H . . 5.500 5.068 4.713 5.435 . 0 0 "[ . 1 . 2]" 1
919 1 43 PHE HB3 1 67 VAL HB . . 3.810 3.616 3.467 3.798 . 0 0 "[ . 1 . 2]" 1
920 1 43 PHE HB3 1 67 VAL MG1 . . 4.260 4.233 4.150 4.268 0.008 12 0 "[ . 1 . 2]" 1
921 1 43 PHE HB3 1 67 VAL MG2 . . 4.260 3.950 3.420 4.260 0.000 18 0 "[ . 1 . 2]" 1
922 1 43 PHE HB3 1 85 LEU MD1 . . 4.560 3.531 3.143 3.873 . 0 0 "[ . 1 . 2]" 1
923 1 43 PHE HB3 1 85 LEU MD2 . . 4.640 4.442 4.069 4.647 0.007 18 0 "[ . 1 . 2]" 1
924 1 43 PHE QD 1 44 VAL H . . 4.320 3.894 3.401 4.165 . 0 0 "[ . 1 . 2]" 1
925 1 43 PHE QD 1 67 VAL HB . . 4.180 3.659 3.229 4.062 . 0 0 "[ . 1 . 2]" 1
926 1 43 PHE QD 1 67 VAL MG1 . . 3.990 2.998 2.532 3.598 . 0 0 "[ . 1 . 2]" 1
927 1 43 PHE QD 1 85 LEU MD1 . . 4.040 3.939 3.789 4.050 0.010 18 0 "[ . 1 . 2]" 1
928 1 44 VAL H 1 44 VAL HB . . 3.810 2.588 2.548 2.635 . 0 0 "[ . 1 . 2]" 1
929 1 44 VAL H 1 44 VAL MG1 . . 4.600 3.827 3.809 3.850 . 0 0 "[ . 1 . 2]" 1
930 1 44 VAL H 1 44 VAL MG2 . . 3.590 2.671 2.579 2.852 . 0 0 "[ . 1 . 2]" 1
931 1 44 VAL H 1 67 VAL H . . 5.500 4.964 4.685 5.196 . 0 0 "[ . 1 . 2]" 1
932 1 44 VAL H 1 67 VAL HB . . 5.240 4.792 4.624 4.915 . 0 0 "[ . 1 . 2]" 1
933 1 44 VAL HA 1 45 LEU H . . 3.400 2.293 2.263 2.314 . 0 0 "[ . 1 . 2]" 1
934 1 44 VAL HA 1 45 LEU HB2 . . 4.810 4.450 4.359 4.554 . 0 0 "[ . 1 . 2]" 1
935 1 44 VAL HA 1 45 LEU HB3 . . 4.620 4.389 4.300 4.455 . 0 0 "[ . 1 . 2]" 1
936 1 44 VAL HA 1 65 ILE H . . 5.500 4.789 4.538 4.958 . 0 0 "[ . 1 . 2]" 1
937 1 44 VAL HA 1 66 LYS H . . 5.500 4.680 4.537 4.894 . 0 0 "[ . 1 . 2]" 1
938 1 44 VAL HA 1 66 LYS HA . . 3.540 2.392 2.211 2.661 . 0 0 "[ . 1 . 2]" 1
939 1 44 VAL HA 1 67 VAL H . . 4.050 3.180 2.934 3.464 . 0 0 "[ . 1 . 2]" 1
940 1 44 VAL HA 1 67 VAL MG2 . . 3.830 3.484 3.005 3.803 . 0 0 "[ . 1 . 2]" 1
941 1 44 VAL MG1 1 45 LEU H . . 3.210 1.969 1.920 2.074 . 0 0 "[ . 1 . 2]" 1
942 1 44 VAL MG1 1 45 LEU HA . . 3.880 3.769 3.693 3.859 . 0 0 "[ . 1 . 2]" 1
943 1 44 VAL MG1 1 45 LEU HB3 . . 4.250 4.240 4.137 4.274 0.024 14 0 "[ . 1 . 2]" 1
944 1 44 VAL MG1 1 46 SER H . . 4.460 3.661 3.407 4.100 . 0 0 "[ . 1 . 2]" 1
945 1 44 VAL MG1 1 46 SER HA . . 4.470 3.862 3.758 4.024 . 0 0 "[ . 1 . 2]" 1
946 1 44 VAL MG1 1 46 SER QB . . 4.520 3.868 3.059 4.256 . 0 0 "[ . 1 . 2]" 1
947 1 44 VAL MG1 1 46 SER HG . . 4.060 2.853 2.167 4.037 . 0 0 "[ . 1 . 2]" 1
948 1 44 VAL MG1 1 64 HIS H . . 5.120 4.911 4.803 5.069 . 0 0 "[ . 1 . 2]" 1
949 1 44 VAL MG1 1 64 HIS HA . . 3.520 3.067 2.897 3.314 . 0 0 "[ . 1 . 2]" 1
950 1 44 VAL MG1 1 64 HIS HB2 . . 3.460 3.451 3.323 3.478 0.018 13 0 "[ . 1 . 2]" 1
951 1 44 VAL MG1 1 64 HIS HB3 . . 3.090 2.078 1.975 2.149 . 0 0 "[ . 1 . 2]" 1
952 1 44 VAL MG1 1 64 HIS HE1 . . 4.180 4.168 4.092 4.194 0.014 10 0 "[ . 1 . 2]" 1
953 1 44 VAL MG1 1 65 ILE H . . 3.420 3.258 3.052 3.403 . 0 0 "[ . 1 . 2]" 1
954 1 44 VAL MG1 1 66 LYS H . . 4.990 4.165 3.968 4.462 . 0 0 "[ . 1 . 2]" 1
955 1 44 VAL MG1 1 66 LYS HA . . 3.670 3.313 3.131 3.563 . 0 0 "[ . 1 . 2]" 1
956 1 44 VAL MG2 1 45 LEU H . . 4.070 4.010 3.928 4.053 . 0 0 "[ . 1 . 2]" 1
957 1 44 VAL MG2 1 64 HIS HB3 . . 4.350 3.997 3.797 4.209 . 0 0 "[ . 1 . 2]" 1
958 1 44 VAL MG2 1 66 LYS HA . . 3.540 3.192 2.683 3.478 . 0 0 "[ . 1 . 2]" 1
959 1 44 VAL MG2 1 66 LYS QD . . 4.590 3.974 2.444 4.503 . 0 0 "[ . 1 . 2]" 1
960 1 44 VAL MG2 1 66 LYS QE . . 4.290 3.394 2.335 4.298 0.008 12 0 "[ . 1 . 2]" 1
961 1 44 VAL MG2 1 66 LYS HG2 . . 3.780 2.819 2.367 3.782 0.002 14 0 "[ . 1 . 2]" 1
962 1 44 VAL MG2 1 67 VAL H . . 4.200 3.954 3.633 4.122 . 0 0 "[ . 1 . 2]" 1
963 1 45 LEU H 1 45 LEU HB2 . . 3.730 3.156 3.107 3.230 . 0 0 "[ . 1 . 2]" 1
964 1 45 LEU H 1 45 LEU HB3 . . 3.590 2.534 2.446 2.601 . 0 0 "[ . 1 . 2]" 1
965 1 45 LEU H 1 45 LEU MD1 . . 4.640 4.288 4.200 4.368 . 0 0 "[ . 1 . 2]" 1
966 1 45 LEU H 1 45 LEU HG . . 4.460 4.314 4.206 4.396 . 0 0 "[ . 1 . 2]" 1
967 1 45 LEU H 1 64 HIS HA . . 5.200 3.857 3.753 4.034 . 0 0 "[ . 1 . 2]" 1
968 1 45 LEU H 1 65 ILE H . . 4.180 2.703 2.462 2.829 . 0 0 "[ . 1 . 2]" 1
969 1 45 LEU H 1 65 ILE HB . . 4.250 3.583 3.408 3.742 . 0 0 "[ . 1 . 2]" 1
970 1 45 LEU H 1 65 ILE MG . . 4.410 4.165 3.903 4.403 . 0 0 "[ . 1 . 2]" 1
971 1 45 LEU H 1 66 LYS HA . . 4.550 3.363 3.232 3.550 . 0 0 "[ . 1 . 2]" 1
972 1 45 LEU H 1 67 VAL H . . 4.970 4.637 4.220 4.940 . 0 0 "[ . 1 . 2]" 1
973 1 45 LEU H 1 67 VAL HB . . 5.500 5.347 5.179 5.502 0.002 3 0 "[ . 1 . 2]" 1
974 1 45 LEU H 1 67 VAL MG2 . . 3.720 3.574 3.299 3.710 . 0 0 "[ . 1 . 2]" 1
975 1 45 LEU HA 1 45 LEU MD1 . . 3.500 2.042 1.955 2.206 . 0 0 "[ . 1 . 2]" 1
976 1 45 LEU HA 1 45 LEU MD2 . . 4.020 3.885 3.787 3.948 . 0 0 "[ . 1 . 2]" 1
977 1 45 LEU HA 1 46 SER H . . 3.130 2.229 2.184 2.270 . 0 0 "[ . 1 . 2]" 1
978 1 45 LEU HB2 1 45 LEU MD1 . . 3.580 2.398 2.269 2.505 . 0 0 "[ . 1 . 2]" 1
979 1 45 LEU HB2 1 45 LEU MD2 . . 3.460 2.406 2.216 2.542 . 0 0 "[ . 1 . 2]" 1
980 1 45 LEU HB2 1 46 SER H . . 4.570 4.498 4.380 4.569 . 0 0 "[ . 1 . 2]" 1
981 1 45 LEU HB2 1 65 ILE H . . 4.700 4.502 4.375 4.648 . 0 0 "[ . 1 . 2]" 1
982 1 45 LEU HB2 1 65 ILE HB . . 3.660 3.687 3.657 3.706 0.046 17 0 "[ . 1 . 2]" 1
983 1 45 LEU HB2 1 67 VAL MG2 . . 3.430 2.800 2.620 3.078 . 0 0 "[ . 1 . 2]" 1
984 1 45 LEU HB3 1 45 LEU MD2 . . 3.390 2.306 2.170 2.512 . 0 0 "[ . 1 . 2]" 1
985 1 45 LEU HB3 1 45 LEU HG . . 3.020 2.460 2.370 2.530 . 0 0 "[ . 1 . 2]" 1
986 1 45 LEU HB3 1 46 SER H . . 4.560 4.584 4.542 4.618 0.058 3 0 "[ . 1 . 2]" 1
987 1 45 LEU HB3 1 65 ILE H . . 4.380 3.001 2.844 3.197 . 0 0 "[ . 1 . 2]" 1
988 1 45 LEU HB3 1 65 ILE HB . . 3.450 1.984 1.967 1.998 . 0 0 "[ . 1 . 2]" 1
989 1 45 LEU HB3 1 65 ILE MD . . 4.130 3.346 3.148 3.489 . 0 0 "[ . 1 . 2]" 1
990 1 45 LEU HB3 1 65 ILE MG . . 3.620 2.744 2.423 3.026 . 0 0 "[ . 1 . 2]" 1
991 1 45 LEU HB3 1 67 VAL MG2 . . 3.750 3.148 3.056 3.280 . 0 0 "[ . 1 . 2]" 1
992 1 45 LEU MD1 1 46 SER H . . 4.090 3.124 2.566 3.452 . 0 0 "[ . 1 . 2]" 1
993 1 45 LEU MD1 1 65 ILE HB . . 4.270 4.234 4.008 4.301 0.031 13 0 "[ . 1 . 2]" 1
994 1 45 LEU MD1 1 107 LEU MD2 . . 2.980 2.485 2.105 2.687 . 0 0 "[ . 1 . 2]" 1
995 1 45 LEU MD2 1 65 ILE HB . . 3.670 2.610 2.278 2.911 . 0 0 "[ . 1 . 2]" 1
996 1 45 LEU MD2 1 65 ILE MG . . 3.220 2.405 2.177 2.859 . 0 0 "[ . 1 . 2]" 1
997 1 45 LEU MD2 1 107 LEU MD1 . . 3.430 3.410 3.319 3.457 0.027 2 0 "[ . 1 . 2]" 1
998 1 45 LEU MD2 1 107 LEU MD2 . . 2.930 2.217 1.916 2.398 . 0 0 "[ . 1 . 2]" 1
999 1 45 LEU HG 1 65 ILE HB . . 4.060 2.813 2.457 2.968 . 0 0 "[ . 1 . 2]" 1
1000 1 45 LEU HG 1 65 ILE MD . . 3.830 2.512 1.970 2.869 . 0 0 "[ . 1 . 2]" 1
1001 1 45 LEU HG 1 65 ILE MG . . 4.100 3.949 3.559 4.123 0.023 14 0 "[ . 1 . 2]" 1
1002 1 45 LEU HG 1 107 LEU MD2 . . 4.620 3.374 3.175 3.662 . 0 0 "[ . 1 . 2]" 1
1003 1 46 SER H 1 46 SER QB . . 3.630 2.490 2.235 2.650 . 0 0 "[ . 1 . 2]" 1
1004 1 46 SER H 1 46 SER HG . . 5.240 3.137 2.482 4.243 . 0 0 "[ . 1 . 2]" 1
1005 1 46 SER H 1 47 VAL H . . 4.900 4.422 4.285 4.483 . 0 0 "[ . 1 . 2]" 1
1006 1 46 SER H 1 62 VAL MG1 . . 5.500 5.212 5.025 5.335 . 0 0 "[ . 1 . 2]" 1
1007 1 46 SER HA 1 46 SER HG . . 3.920 2.458 2.060 2.559 . 0 0 "[ . 1 . 2]" 1
1008 1 46 SER HA 1 47 VAL H . . 3.020 2.218 2.215 2.223 . 0 0 "[ . 1 . 2]" 1
1009 1 46 SER HA 1 47 VAL HB . . 4.720 4.498 4.433 4.591 . 0 0 "[ . 1 . 2]" 1
1010 1 46 SER HA 1 47 VAL MG2 . . 4.160 3.873 3.761 4.011 . 0 0 "[ . 1 . 2]" 1
1011 1 46 SER HA 1 62 VAL MG1 . . 4.090 3.382 3.198 3.546 . 0 0 "[ . 1 . 2]" 1
1012 1 46 SER HA 1 63 THR H . . 5.290 3.995 3.881 4.110 . 0 0 "[ . 1 . 2]" 1
1013 1 46 SER HA 1 63 THR MG . . 4.680 4.386 4.061 4.512 . 0 0 "[ . 1 . 2]" 1
1014 1 46 SER HA 1 64 HIS H . . 5.390 4.459 4.293 4.831 . 0 0 "[ . 1 . 2]" 1
1015 1 46 SER HA 1 64 HIS HA . . 3.370 2.188 1.996 2.620 . 0 0 "[ . 1 . 2]" 1
1016 1 46 SER HA 1 65 ILE H . . 4.230 3.254 2.968 3.689 . 0 0 "[ . 1 . 2]" 1
1017 1 46 SER QB 1 47 VAL H . . 4.110 3.546 3.315 3.922 . 0 0 "[ . 1 . 2]" 1
1018 1 46 SER QB 1 62 VAL MG1 . . 3.480 2.620 2.200 3.324 . 0 0 "[ . 1 . 2]" 1
1019 1 46 SER QB 1 64 HIS HA . . 4.680 3.797 3.485 4.325 . 0 0 "[ . 1 . 2]" 1
1020 1 46 SER QB 1 64 HIS HE1 . . 3.650 3.408 3.153 3.610 . 0 0 "[ . 1 . 2]" 1
1021 1 46 SER HG 1 47 VAL H . . 4.720 4.423 3.731 4.731 0.011 13 0 "[ . 1 . 2]" 1
1022 1 46 SER HG 1 62 VAL MG1 . . 4.630 3.471 2.093 4.234 . 0 0 "[ . 1 . 2]" 1
1023 1 46 SER HG 1 64 HIS HA . . 4.630 3.028 2.839 3.271 . 0 0 "[ . 1 . 2]" 1
1024 1 46 SER HG 1 64 HIS HE1 . . 3.530 3.281 2.541 3.545 0.015 14 0 "[ . 1 . 2]" 1
1025 1 46 SER HG 1 65 ILE H . . 5.500 4.533 4.197 5.154 . 0 0 "[ . 1 . 2]" 1
1026 1 47 VAL H 1 47 VAL HB . . 3.570 2.469 2.416 2.508 . 0 0 "[ . 1 . 2]" 1
1027 1 47 VAL H 1 47 VAL MG2 . . 3.450 2.914 2.705 3.017 . 0 0 "[ . 1 . 2]" 1
1028 1 47 VAL H 1 48 LEU H . . 4.990 4.419 4.360 4.476 . 0 0 "[ . 1 . 2]" 1
1029 1 47 VAL H 1 62 VAL HA . . 5.190 4.829 4.674 4.947 . 0 0 "[ . 1 . 2]" 1
1030 1 47 VAL H 1 62 VAL MG1 . . 3.880 3.321 3.190 3.437 . 0 0 "[ . 1 . 2]" 1
1031 1 47 VAL H 1 63 THR HB . . 4.860 3.363 3.188 3.793 . 0 0 "[ . 1 . 2]" 1
1032 1 47 VAL H 1 63 THR MG . . 3.940 3.512 3.053 3.728 . 0 0 "[ . 1 . 2]" 1
1033 1 47 VAL H 1 64 HIS HA . . 4.240 3.646 3.404 3.913 . 0 0 "[ . 1 . 2]" 1
1034 1 47 VAL H 1 65 ILE H . . 5.300 4.183 3.989 4.416 . 0 0 "[ . 1 . 2]" 1
1035 1 47 VAL HA 1 47 VAL MG1 . . 2.960 2.430 2.371 2.485 . 0 0 "[ . 1 . 2]" 1
1036 1 47 VAL HA 1 47 VAL MG2 . . 3.220 2.289 2.232 2.392 . 0 0 "[ . 1 . 2]" 1
1037 1 47 VAL HA 1 48 LEU H . . 3.310 2.217 2.194 2.243 . 0 0 "[ . 1 . 2]" 1
1038 1 47 VAL HB 1 48 LEU H . . 4.770 4.274 4.199 4.359 . 0 0 "[ . 1 . 2]" 1
1039 1 47 VAL HB 1 63 THR H . . 4.690 4.132 3.992 4.280 . 0 0 "[ . 1 . 2]" 1
1040 1 47 VAL HB 1 63 THR HB . . 3.580 3.135 2.883 3.551 . 0 0 "[ . 1 . 2]" 1
1041 1 47 VAL HB 1 65 ILE MD . . 4.410 2.603 2.402 2.931 . 0 0 "[ . 1 . 2]" 1
1042 1 47 VAL HB 1 107 LEU MD2 . . 4.660 4.690 4.662 4.728 0.068 14 0 "[ . 1 . 2]" 1
1043 1 47 VAL MG1 1 48 LEU H . . 3.270 2.554 2.361 2.713 . 0 0 "[ . 1 . 2]" 1
1044 1 47 VAL MG1 1 49 SER H . . 4.520 4.417 4.171 4.504 . 0 0 "[ . 1 . 2]" 1
1045 1 47 VAL MG1 1 49 SER HA . . 4.120 3.725 3.579 3.822 . 0 0 "[ . 1 . 2]" 1
1046 1 47 VAL MG1 1 107 LEU MD1 . . 3.930 3.315 2.863 3.612 . 0 0 "[ . 1 . 2]" 1
1047 1 47 VAL MG1 1 107 LEU MD2 . . 3.940 3.613 3.461 3.760 . 0 0 "[ . 1 . 2]" 1
1048 1 47 VAL MG2 1 63 THR H . . 5.160 5.078 4.951 5.175 0.015 9 0 "[ . 1 . 2]" 1
1049 1 47 VAL MG2 1 65 ILE MD . . 2.690 2.106 1.898 2.306 . 0 0 "[ . 1 . 2]" 1
1050 1 47 VAL MG2 1 107 LEU MD1 . . 3.610 3.238 2.935 3.487 . 0 0 "[ . 1 . 2]" 1
1051 1 47 VAL MG2 1 107 LEU MD2 . . 2.990 2.163 2.068 2.324 . 0 0 "[ . 1 . 2]" 1
1052 1 48 LEU H 1 48 LEU HB2 . . 3.400 2.393 2.336 2.478 . 0 0 "[ . 1 . 2]" 1
1053 1 48 LEU H 1 48 LEU HB3 . . 3.710 2.642 2.570 2.699 . 0 0 "[ . 1 . 2]" 1
1054 1 48 LEU H 1 48 LEU MD2 . . 4.230 4.220 4.182 4.242 0.012 15 0 "[ . 1 . 2]" 1
1055 1 48 LEU H 1 62 VAL MG1 . . 5.500 4.726 4.447 4.893 . 0 0 "[ . 1 . 2]" 1
1056 1 48 LEU HA 1 48 LEU MD1 . . 3.090 2.058 1.951 2.160 . 0 0 "[ . 1 . 2]" 1
1057 1 48 LEU HA 1 48 LEU MD2 . . 3.820 3.832 3.819 3.851 0.031 6 0 "[ . 1 . 2]" 1
1058 1 48 LEU HA 1 48 LEU HG . . 4.250 2.895 2.812 3.000 . 0 0 "[ . 1 . 2]" 1
1059 1 48 LEU HA 1 49 SER H . . 3.230 2.192 2.177 2.226 . 0 0 "[ . 1 . 2]" 1
1060 1 48 LEU HA 1 49 SER HB3 . . 4.330 4.174 4.120 4.278 . 0 0 "[ . 1 . 2]" 1
1061 1 48 LEU HA 1 62 VAL HA . . 3.670 2.840 2.627 3.011 . 0 0 "[ . 1 . 2]" 1
1062 1 48 LEU HA 1 62 VAL MG1 . . 4.170 3.567 3.350 3.762 . 0 0 "[ . 1 . 2]" 1
1063 1 48 LEU HA 1 62 VAL MG2 . . 3.480 3.359 3.214 3.483 0.003 12 0 "[ . 1 . 2]" 1
1064 1 48 LEU HA 1 63 THR H . . 4.390 3.729 3.525 3.943 . 0 0 "[ . 1 . 2]" 1
1065 1 48 LEU HB2 1 48 LEU MD2 . . 3.370 2.355 2.319 2.425 . 0 0 "[ . 1 . 2]" 1
1066 1 48 LEU HB3 1 48 LEU MD1 . . 3.590 3.206 3.203 3.210 . 0 0 "[ . 1 . 2]" 1
1067 1 48 LEU HB3 1 48 LEU MD2 . . 3.290 2.301 2.218 2.360 . 0 0 "[ . 1 . 2]" 1
1068 1 48 LEU MD1 1 49 SER H . . 3.480 2.959 2.789 3.156 . 0 0 "[ . 1 . 2]" 1
1069 1 48 LEU MD1 1 60 LEU H . . 4.070 3.804 3.644 3.958 . 0 0 "[ . 1 . 2]" 1
1070 1 48 LEU MD1 1 60 LEU HB2 . . 3.190 2.767 2.467 2.978 . 0 0 "[ . 1 . 2]" 1
1071 1 48 LEU MD1 1 60 LEU HB3 . . 3.660 3.311 3.104 3.512 . 0 0 "[ . 1 . 2]" 1
1072 1 48 LEU MD1 1 61 ARG H . . 5.230 4.601 4.365 4.752 . 0 0 "[ . 1 . 2]" 1
1073 1 48 LEU MD1 1 62 VAL H . . 5.250 4.484 4.323 4.645 . 0 0 "[ . 1 . 2]" 1
1074 1 48 LEU MD1 1 62 VAL HA . . 3.810 2.929 2.795 3.098 . 0 0 "[ . 1 . 2]" 1
1075 1 48 LEU MD1 1 62 VAL MG1 . . 4.260 3.166 2.860 3.355 . 0 0 "[ . 1 . 2]" 1
1076 1 48 LEU MD1 1 62 VAL MG2 . . 2.900 1.934 1.855 2.042 . 0 0 "[ . 1 . 2]" 1
1077 1 48 LEU MD1 1 63 THR H . . 5.140 4.378 4.220 4.556 . 0 0 "[ . 1 . 2]" 1
1078 1 48 LEU MD2 1 60 LEU HB2 . . 3.730 3.058 2.767 3.220 . 0 0 "[ . 1 . 2]" 1
1079 1 48 LEU MD2 1 60 LEU MD1 . . 3.170 2.837 2.458 3.009 . 0 0 "[ . 1 . 2]" 1
1080 1 48 LEU HG 1 49 SER H . . 4.210 3.123 2.804 3.367 . 0 0 "[ . 1 . 2]" 1
1081 1 48 LEU HG 1 60 LEU HB2 . . 4.280 2.763 2.565 2.908 . 0 0 "[ . 1 . 2]" 1
1082 1 48 LEU HG 1 60 LEU HB3 . . 4.190 3.189 2.751 3.475 . 0 0 "[ . 1 . 2]" 1
1083 1 49 SER H 1 49 SER HB2 . . 3.850 3.554 3.482 3.653 . 0 0 "[ . 1 . 2]" 1
1084 1 49 SER H 1 49 SER HB3 . . 3.430 2.320 2.209 2.539 . 0 0 "[ . 1 . 2]" 1
1085 1 49 SER H 1 49 SER HG . . 3.730 3.083 2.571 3.499 . 0 0 "[ . 1 . 2]" 1
1086 1 49 SER H 1 50 ASP H . . 5.500 4.591 4.565 4.617 . 0 0 "[ . 1 . 2]" 1
1087 1 49 SER H 1 51 GLN H . . 5.220 4.298 4.213 4.436 . 0 0 "[ . 1 . 2]" 1
1088 1 49 SER H 1 60 LEU HB2 . . 5.430 4.542 4.188 4.862 . 0 0 "[ . 1 . 2]" 1
1089 1 49 SER H 1 61 ARG HB2 . . 5.440 4.929 4.343 5.095 . 0 0 "[ . 1 . 2]" 1
1090 1 49 SER H 1 61 ARG HB3 . . 5.120 4.840 4.431 5.132 0.012 18 0 "[ . 1 . 2]" 1
1091 1 49 SER H 1 62 VAL HA . . 3.940 3.257 3.086 3.437 . 0 0 "[ . 1 . 2]" 1
1092 1 49 SER H 1 62 VAL MG1 . . 5.270 4.807 4.643 4.969 . 0 0 "[ . 1 . 2]" 1
1093 1 49 SER H 1 62 VAL MG2 . . 4.360 4.287 4.146 4.369 0.009 17 0 "[ . 1 . 2]" 1
1094 1 49 SER H 1 63 THR H . . 4.670 4.434 4.119 4.667 . 0 0 "[ . 1 . 2]" 1
1095 1 49 SER HA 1 50 ASP H . . 3.410 2.477 2.439 2.532 . 0 0 "[ . 1 . 2]" 1
1096 1 49 SER HB2 1 50 ASP H . . 3.230 2.885 2.730 2.987 . 0 0 "[ . 1 . 2]" 1
1097 1 49 SER HB2 1 51 GLN H . . 3.830 3.366 2.937 3.587 . 0 0 "[ . 1 . 2]" 1
1098 1 49 SER HB3 1 50 ASP H . . 4.730 4.104 4.023 4.153 . 0 0 "[ . 1 . 2]" 1
1099 1 49 SER HB3 1 51 GLN H . . 3.980 3.867 3.786 3.946 . 0 0 "[ . 1 . 2]" 1
1100 1 49 SER HB3 1 51 GLN HB2 . . 4.800 4.260 4.153 4.387 . 0 0 "[ . 1 . 2]" 1
1101 1 49 SER HB3 1 61 ARG HB2 . . 4.510 4.361 3.692 4.556 0.046 4 0 "[ . 1 . 2]" 1
1102 1 49 SER HB3 1 61 ARG HB3 . . 4.550 4.192 3.758 4.561 0.011 18 0 "[ . 1 . 2]" 1
1103 1 49 SER HB3 1 62 VAL HA . . 4.620 4.225 4.070 4.448 . 0 0 "[ . 1 . 2]" 1
1104 1 49 SER HG 1 50 ASP H . . 5.500 4.157 3.811 4.530 . 0 0 "[ . 1 . 2]" 1
1105 1 49 SER HG 1 51 GLN H . . 4.060 2.494 2.063 2.984 . 0 0 "[ . 1 . 2]" 1
1106 1 49 SER HG 1 61 ARG H . . 4.400 3.553 3.121 3.956 . 0 0 "[ . 1 . 2]" 1
1107 1 49 SER HG 1 61 ARG HB2 . . 4.510 2.772 2.155 3.121 . 0 0 "[ . 1 . 2]" 1
1108 1 49 SER HG 1 61 ARG HB3 . . 4.090 3.413 2.501 3.864 . 0 0 "[ . 1 . 2]" 1
1109 1 50 ASP H 1 51 GLN H . . 3.450 2.737 2.528 2.830 . 0 0 "[ . 1 . 2]" 1
1110 1 50 ASP H 1 51 GLN HG2 . . 4.160 4.323 3.631 4.780 0.620 7 4 "[ . + - * * 2]" 1
1111 1 50 ASP HA 1 60 LEU MD1 . . 3.450 2.332 2.155 2.505 . 0 0 "[ . 1 . 2]" 1
1112 1 50 ASP HA 1 60 LEU MD2 . . 3.630 2.803 2.549 3.025 . 0 0 "[ . 1 . 2]" 1
1113 1 50 ASP HB2 1 51 GLN H . . 5.450 4.622 4.596 4.638 . 0 0 "[ . 1 . 2]" 1
1114 1 50 ASP HB2 1 60 LEU MD2 . . 4.480 4.172 4.091 4.368 . 0 0 "[ . 1 . 2]" 1
1115 1 51 GLN H 1 51 GLN HB2 . . 3.480 2.448 2.371 2.483 . 0 0 "[ . 1 . 2]" 1
1116 1 51 GLN H 1 51 GLN HB3 . . 3.830 3.638 3.578 3.663 . 0 0 "[ . 1 . 2]" 1
1117 1 51 GLN H 1 51 GLN HG2 . . 3.850 3.451 2.949 3.743 . 0 0 "[ . 1 . 2]" 1
1118 1 51 GLN H 1 51 GLN HG3 . . 3.980 3.446 3.213 3.701 . 0 0 "[ . 1 . 2]" 1
1119 1 51 GLN H 1 52 PRO HD2 . . 5.460 4.918 4.884 4.951 . 0 0 "[ . 1 . 2]" 1
1120 1 51 GLN H 1 52 PRO HD3 . . 4.850 4.159 4.086 4.226 . 0 0 "[ . 1 . 2]" 1
1121 1 51 GLN H 1 60 LEU MD2 . . 3.380 3.076 2.718 3.260 . 0 0 "[ . 1 . 2]" 1
1122 1 51 GLN H 1 61 ARG H . . 4.960 4.453 4.317 4.564 . 0 0 "[ . 1 . 2]" 1
1123 1 51 GLN HA 1 51 GLN HG3 . . 4.000 3.456 3.278 3.690 . 0 0 "[ . 1 . 2]" 1
1124 1 51 GLN HA 1 52 PRO HD2 . . 2.990 2.237 2.217 2.253 . 0 0 "[ . 1 . 2]" 1
1125 1 51 GLN HA 1 52 PRO HD3 . . 2.960 2.036 2.011 2.075 . 0 0 "[ . 1 . 2]" 1
1126 1 51 GLN HA 1 60 LEU MD2 . . 4.040 3.230 3.065 3.301 . 0 0 "[ . 1 . 2]" 1
1127 1 51 GLN HA 1 61 ARG H . . 5.500 5.499 5.389 5.529 0.029 12 0 "[ . 1 . 2]" 1
1128 1 51 GLN HB2 1 61 ARG H . . 4.900 4.599 4.421 4.715 . 0 0 "[ . 1 . 2]" 1
1129 1 51 GLN HB3 1 51 GLN HE22 . . 5.480 4.121 3.634 4.482 . 0 0 "[ . 1 . 2]" 1
1130 1 51 GLN HB3 1 51 GLN HG2 . . 3.010 2.844 2.744 2.987 . 0 0 "[ . 1 . 2]" 1
1131 1 51 GLN HB3 1 52 PRO HD2 . . 4.170 3.596 3.500 3.711 . 0 0 "[ . 1 . 2]" 1
1132 1 51 GLN HE22 1 51 GLN HG2 . . 3.920 3.760 3.446 4.118 0.198 9 0 "[ . 1 . 2]" 1
1133 1 51 GLN HE22 1 51 GLN HG3 . . 3.760 3.671 3.454 4.122 0.362 11 0 "[ . 1 . 2]" 1
1134 1 52 PRO HA 1 53 LYS H . . 3.060 2.490 2.439 2.526 . 0 0 "[ . 1 . 2]" 1
1135 1 52 PRO HA 1 53 LYS HA . . 4.340 4.248 4.231 4.260 . 0 0 "[ . 1 . 2]" 1
1136 1 52 PRO HA 1 54 ALA H . . 4.820 4.444 4.302 4.487 . 0 0 "[ . 1 . 2]" 1
1137 1 52 PRO HA 1 60 LEU HA . . 3.130 2.057 1.996 2.138 . 0 0 "[ . 1 . 2]" 1
1138 1 52 PRO HA 1 60 LEU HB3 . . 4.530 4.039 3.846 4.231 . 0 0 "[ . 1 . 2]" 1
1139 1 52 PRO HA 1 60 LEU MD2 . . 2.890 1.974 1.942 2.096 . 0 0 "[ . 1 . 2]" 1
1140 1 52 PRO HA 1 61 ARG H . . 3.800 3.083 2.946 3.201 . 0 0 "[ . 1 . 2]" 1
1141 1 52 PRO HB2 1 53 LYS H . . 4.150 2.579 2.495 2.704 . 0 0 "[ . 1 . 2]" 1
1142 1 52 PRO HB2 1 54 ALA H . . 4.020 2.942 2.920 2.981 . 0 0 "[ . 1 . 2]" 1
1143 1 52 PRO HB2 1 58 SER H . . 4.420 4.414 4.340 4.494 0.074 2 0 "[ . 1 . 2]" 1
1144 1 52 PRO HB2 1 58 SER HG . . 4.590 2.498 2.207 3.850 . 0 0 "[ . 1 . 2]" 1
1145 1 52 PRO HB2 1 60 LEU MD2 . . 4.600 3.377 3.327 3.411 . 0 0 "[ . 1 . 2]" 1
1146 1 52 PRO HB3 1 53 LYS H . . 3.940 3.335 3.296 3.394 . 0 0 "[ . 1 . 2]" 1
1147 1 52 PRO HB3 1 54 ALA H . . 4.260 4.332 4.271 4.364 0.104 2 0 "[ . 1 . 2]" 1
1148 1 52 PRO HB3 1 58 SER H . . 4.590 4.355 4.266 4.455 . 0 0 "[ . 1 . 2]" 1
1149 1 52 PRO HB3 1 58 SER HG . . 4.510 2.776 2.499 4.516 0.006 6 0 "[ . 1 . 2]" 1
1150 1 52 PRO HB3 1 60 LEU HA . . 4.190 3.664 3.591 3.731 . 0 0 "[ . 1 . 2]" 1
1151 1 52 PRO HB3 1 60 LEU MD2 . . 3.930 1.961 1.944 2.003 . 0 0 "[ . 1 . 2]" 1
1152 1 52 PRO HB3 1 61 ARG H . . 5.500 5.300 5.162 5.393 . 0 0 "[ . 1 . 2]" 1
1153 1 52 PRO HD2 1 60 LEU MD2 . . 4.050 3.588 3.550 3.612 . 0 0 "[ . 1 . 2]" 1
1154 1 52 PRO HD3 1 60 LEU MD2 . . 3.680 2.515 2.474 2.538 . 0 0 "[ . 1 . 2]" 1
1155 1 52 PRO HG2 1 53 LYS H . . 5.160 4.615 4.544 4.720 . 0 0 "[ . 1 . 2]" 1
1156 1 52 PRO HG2 1 60 LEU MD2 . . 3.760 3.781 3.761 3.804 0.044 6 0 "[ . 1 . 2]" 1
1157 1 52 PRO HG3 1 53 LYS H . . 5.200 5.130 5.074 5.211 0.011 2 0 "[ . 1 . 2]" 1
1158 1 52 PRO HG3 1 60 LEU MD2 . . 3.600 2.779 2.728 2.881 . 0 0 "[ . 1 . 2]" 1
1159 1 53 LYS H 1 53 LYS HB2 . . 3.350 2.427 2.359 2.519 . 0 0 "[ . 1 . 2]" 1
1160 1 53 LYS H 1 53 LYS HB3 . . 3.630 3.607 3.568 3.644 0.014 14 0 "[ . 1 . 2]" 1
1161 1 53 LYS H 1 53 LYS QD . . 4.840 3.635 3.155 4.408 . 0 0 "[ . 1 . 2]" 1
1162 1 53 LYS H 1 53 LYS QG . . 3.830 2.571 2.422 2.718 . 0 0 "[ . 1 . 2]" 1
1163 1 53 LYS H 1 54 ALA H . . 3.640 2.237 2.152 2.355 . 0 0 "[ . 1 . 2]" 1
1164 1 53 LYS H 1 54 ALA MB . . 5.000 4.120 4.039 4.297 . 0 0 "[ . 1 . 2]" 1
1165 1 53 LYS H 1 58 SER HB3 . . 5.110 4.141 4.019 4.324 . 0 0 "[ . 1 . 2]" 1
1166 1 53 LYS H 1 58 SER HG . . 5.310 3.073 2.357 4.498 . 0 0 "[ . 1 . 2]" 1
1167 1 53 LYS H 1 59 PRO HD2 . . 5.500 3.969 3.616 4.234 . 0 0 "[ . 1 . 2]" 1
1168 1 53 LYS H 1 60 LEU H . . 5.490 5.493 5.321 5.527 0.037 15 0 "[ . 1 . 2]" 1
1169 1 53 LYS H 1 60 LEU HA . . 3.790 3.756 3.663 3.799 0.009 7 0 "[ . 1 . 2]" 1
1170 1 53 LYS H 1 60 LEU MD2 . . 4.080 4.024 3.952 4.084 0.004 3 0 "[ . 1 . 2]" 1
1171 1 53 LYS H 1 61 ARG H . . 4.340 4.316 4.139 4.366 0.026 3 0 "[ . 1 . 2]" 1
1172 1 53 LYS HA 1 53 LYS HB3 . . 3.030 2.493 2.444 2.529 . 0 0 "[ . 1 . 2]" 1
1173 1 53 LYS HA 1 53 LYS QG . . 3.140 2.384 2.329 2.453 . 0 0 "[ . 1 . 2]" 1
1174 1 53 LYS HA 1 61 ARG QD . . 4.170 3.721 3.096 4.090 . 0 0 "[ . 1 . 2]" 1
1175 1 53 LYS HB2 1 53 LYS QE . . 4.030 3.056 1.950 3.676 . 0 0 "[ . 1 . 2]" 1
1176 1 53 LYS HB2 1 54 ALA H . . 3.580 2.709 2.687 2.777 . 0 0 "[ . 1 . 2]" 1
1177 1 53 LYS HB2 1 58 SER HB2 . . 4.130 2.709 2.408 2.968 . 0 0 "[ . 1 . 2]" 1
1178 1 53 LYS HB2 1 58 SER HB3 . . 4.500 4.114 3.806 4.374 . 0 0 "[ . 1 . 2]" 1
1179 1 53 LYS HB2 1 59 PRO HD2 . . 3.560 3.059 2.588 3.489 . 0 0 "[ . 1 . 2]" 1
1180 1 53 LYS HB3 1 53 LYS QE . . 4.120 2.622 2.072 3.190 . 0 0 "[ . 1 . 2]" 1
1181 1 53 LYS HB3 1 59 PRO HD2 . . 5.500 4.637 4.160 5.149 . 0 0 "[ . 1 . 2]" 1
1182 1 53 LYS QD 1 59 PRO HD2 . . 4.360 2.926 2.356 4.371 0.011 16 0 "[ . 1 . 2]" 1
1183 1 53 LYS QE 1 53 LYS QG . . 3.100 2.231 2.028 2.554 . 0 0 "[ . 1 . 2]" 1
1184 1 53 LYS QG 1 54 ALA H . . 4.410 4.158 3.998 4.265 . 0 0 "[ . 1 . 2]" 1
1185 1 53 LYS QG 1 58 SER HB2 . . 4.600 4.395 4.015 4.624 0.024 2 0 "[ . 1 . 2]" 1
1186 1 53 LYS QG 1 59 PRO HD2 . . 4.470 4.261 3.967 4.469 . 0 0 "[ . 1 . 2]" 1
1187 1 54 ALA H 1 54 ALA MB . . 3.340 2.279 2.240 2.398 . 0 0 "[ . 1 . 2]" 1
1188 1 54 ALA H 1 55 GLY H . . 5.060 1.881 1.812 2.585 . 0 0 "[ . 1 . 2]" 1
1189 1 54 ALA H 1 58 SER H . . 4.730 4.552 4.356 4.782 0.052 2 0 "[ . 1 . 2]" 1
1190 1 54 ALA H 1 58 SER HB2 . . 3.930 2.357 1.945 2.632 . 0 0 "[ . 1 . 2]" 1
1191 1 54 ALA H 1 58 SER HB3 . . 4.010 2.689 2.504 2.895 . 0 0 "[ . 1 . 2]" 1
1192 1 54 ALA H 1 58 SER HG . . 3.820 2.865 2.518 3.255 . 0 0 "[ . 1 . 2]" 1
1193 1 54 ALA H 1 59 PRO HD2 . . 5.160 4.213 3.819 4.538 . 0 0 "[ . 1 . 2]" 1
1194 1 54 ALA MB 1 55 GLY H . . 4.110 3.013 2.879 3.722 . 0 0 "[ . 1 . 2]" 1
1195 1 54 ALA MB 1 58 SER H . . 5.100 4.295 4.025 4.487 . 0 0 "[ . 1 . 2]" 1
1196 1 54 ALA MB 1 58 SER HB2 . . 3.450 2.648 2.328 2.982 . 0 0 "[ . 1 . 2]" 1
1197 1 54 ALA MB 1 58 SER HB3 . . 3.510 1.970 1.924 2.138 . 0 0 "[ . 1 . 2]" 1
1198 1 55 GLY HA3 1 56 PRO HD3 . . 2.980 2.045 1.996 2.119 . 0 0 "[ . 1 . 2]" 1
1199 1 57 GLY H 1 58 SER H . . 5.230 2.248 2.044 3.004 . 0 0 "[ . 1 . 2]" 1
1200 1 58 SER H 1 58 SER HB3 . . 3.490 2.961 2.787 3.398 . 0 0 "[ . 1 . 2]" 1
1201 1 58 SER H 1 58 SER HG . . 3.540 2.226 1.949 2.792 . 0 0 "[ . 1 . 2]" 1
1202 1 58 SER H 1 59 PRO HD2 . . 5.210 4.988 4.983 5.014 . 0 0 "[ . 1 . 2]" 1
1203 1 58 SER HA 1 59 PRO HD3 . . 3.070 2.024 1.988 2.030 . 0 0 "[ . 1 . 2]" 1
1204 1 58 SER HA 1 59 PRO QG . . 3.970 3.966 3.931 3.972 0.002 19 0 "[ . 1 . 2]" 1
1205 1 58 SER HB2 1 59 PRO HD2 . . 3.270 2.126 2.074 2.383 . 0 0 "[ . 1 . 2]" 1
1206 1 58 SER HB2 1 59 PRO HD3 . . 3.500 3.121 3.054 3.424 . 0 0 "[ . 1 . 2]" 1
1207 1 58 SER HB2 1 59 PRO QG . . 4.500 4.071 4.027 4.209 . 0 0 "[ . 1 . 2]" 1
1208 1 59 PRO HA 1 60 LEU H . . 3.010 2.221 2.176 2.281 . 0 0 "[ . 1 . 2]" 1
1209 1 59 PRO HA 1 60 LEU HB2 . . 4.650 4.528 4.390 4.653 0.003 5 0 "[ . 1 . 2]" 1
1210 1 59 PRO HA 1 60 LEU HG . . 4.160 3.865 3.668 4.105 . 0 0 "[ . 1 . 2]" 1
1211 1 59 PRO HB2 1 60 LEU H . . 3.870 3.342 3.131 3.536 . 0 0 "[ . 1 . 2]" 1
1212 1 59 PRO HB3 1 60 LEU H . . 3.760 3.759 3.627 3.888 0.128 2 0 "[ . 1 . 2]" 1
1213 1 60 LEU H 1 60 LEU HB2 . . 3.760 2.332 2.227 2.434 . 0 0 "[ . 1 . 2]" 1
1214 1 60 LEU H 1 60 LEU HB3 . . 3.880 3.539 3.499 3.566 . 0 0 "[ . 1 . 2]" 1
1215 1 60 LEU H 1 60 LEU MD1 . . 3.740 3.574 3.456 3.649 . 0 0 "[ . 1 . 2]" 1
1216 1 60 LEU H 1 60 LEU MD2 . . 4.240 3.681 3.547 3.850 . 0 0 "[ . 1 . 2]" 1
1217 1 60 LEU H 1 60 LEU HG . . 3.140 2.544 2.312 2.805 . 0 0 "[ . 1 . 2]" 1
1218 1 60 LEU H 1 61 ARG H . . 4.470 4.547 4.517 4.577 0.107 5 0 "[ . 1 . 2]" 1
1219 1 60 LEU HA 1 60 LEU MD1 . . 4.580 3.873 3.843 3.912 . 0 0 "[ . 1 . 2]" 1
1220 1 60 LEU HA 1 60 LEU MD2 . . 2.900 2.012 1.961 2.295 . 0 0 "[ . 1 . 2]" 1
1221 1 60 LEU HA 1 60 LEU HG . . 3.650 2.944 2.829 3.020 . 0 0 "[ . 1 . 2]" 1
1222 1 60 LEU HA 1 61 ARG H . . 3.100 2.191 2.181 2.206 . 0 0 "[ . 1 . 2]" 1
1223 1 60 LEU HB2 1 60 LEU MD1 . . 3.610 2.323 2.239 2.350 . 0 0 "[ . 1 . 2]" 1
1224 1 60 LEU HB2 1 61 ARG H . . 4.480 4.339 4.218 4.449 . 0 0 "[ . 1 . 2]" 1
1225 1 60 LEU HB3 1 60 LEU MD1 . . 3.160 2.428 2.388 2.522 . 0 0 "[ . 1 . 2]" 1
1226 1 60 LEU HB3 1 60 LEU MD2 . . 3.120 2.346 2.205 2.374 . 0 0 "[ . 1 . 2]" 1
1227 1 60 LEU HB3 1 61 ARG H . . 4.020 3.382 3.274 3.497 . 0 0 "[ . 1 . 2]" 1
1228 1 60 LEU MD1 1 61 ARG H . . 5.150 5.164 5.145 5.199 0.049 19 0 "[ . 1 . 2]" 1
1229 1 60 LEU MD2 1 61 ARG H . . 3.600 3.324 3.124 3.605 0.005 14 0 "[ . 1 . 2]" 1
1230 1 61 ARG H 1 61 ARG HB2 . . 3.410 2.166 2.097 2.529 . 0 0 "[ . 1 . 2]" 1
1231 1 61 ARG H 1 61 ARG HB3 . . 3.480 3.438 3.379 3.569 0.089 10 0 "[ . 1 . 2]" 1
1232 1 61 ARG H 1 61 ARG QD . . 4.660 3.709 2.567 4.199 . 0 0 "[ . 1 . 2]" 1
1233 1 61 ARG H 1 61 ARG HG2 . . 4.180 4.039 2.952 4.241 0.061 3 0 "[ . 1 . 2]" 1
1234 1 61 ARG H 1 61 ARG HG3 . . 4.210 2.981 2.135 4.054 . 0 0 "[ . 1 . 2]" 1
1235 1 61 ARG HA 1 61 ARG HG2 . . 3.210 2.620 2.306 3.546 0.336 3 0 "[ . 1 . 2]" 1
1236 1 61 ARG HA 1 61 ARG HG3 . . 3.810 2.425 2.171 3.218 . 0 0 "[ . 1 . 2]" 1
1237 1 61 ARG HA 1 62 VAL H . . 2.890 2.474 2.373 2.570 . 0 0 "[ . 1 . 2]" 1
1238 1 61 ARG HA 1 62 VAL MG2 . . 4.290 3.263 3.182 3.333 . 0 0 "[ . 1 . 2]" 1
1239 1 61 ARG HB2 1 61 ARG QD . . 3.820 2.318 2.143 2.898 . 0 0 "[ . 1 . 2]" 1
1240 1 61 ARG HB2 1 62 VAL H . . 3.890 4.050 3.767 4.253 0.363 3 0 "[ . 1 . 2]" 1
1241 1 61 ARG HB3 1 61 ARG QD . . 3.410 2.558 2.147 3.322 . 0 0 "[ . 1 . 2]" 1
1242 1 61 ARG HB3 1 62 VAL H . . 4.370 2.748 2.486 3.096 . 0 0 "[ . 1 . 2]" 1
1243 1 61 ARG QD 1 62 VAL H . . 5.500 4.623 4.176 5.049 . 0 0 "[ . 1 . 2]" 1
1244 1 61 ARG HG2 1 62 VAL H . . 4.180 3.207 2.846 4.221 0.041 3 0 "[ . 1 . 2]" 1
1245 1 62 VAL H 1 62 VAL HB . . 3.270 2.564 2.486 2.636 . 0 0 "[ . 1 . 2]" 1
1246 1 62 VAL H 1 62 VAL MG1 . . 4.190 3.811 3.777 3.839 . 0 0 "[ . 1 . 2]" 1
1247 1 62 VAL H 1 62 VAL MG2 . . 3.440 2.726 2.599 2.854 . 0 0 "[ . 1 . 2]" 1
1248 1 62 VAL H 1 63 THR H . . 4.840 4.475 4.431 4.523 . 0 0 "[ . 1 . 2]" 1
1249 1 62 VAL HA 1 62 VAL MG1 . . 3.360 2.369 2.321 2.476 . 0 0 "[ . 1 . 2]" 1
1250 1 62 VAL HA 1 62 VAL MG2 . . 3.230 2.422 2.396 2.447 . 0 0 "[ . 1 . 2]" 1
1251 1 62 VAL HA 1 63 THR H . . 3.070 2.322 2.285 2.376 . 0 0 "[ . 1 . 2]" 1
1252 1 62 VAL HA 1 63 THR HB . . 4.180 4.166 3.984 4.202 0.022 2 0 "[ . 1 . 2]" 1
1253 1 62 VAL HB 1 63 THR H . . 4.560 3.963 3.811 4.070 . 0 0 "[ . 1 . 2]" 1
1254 1 62 VAL MG1 1 63 THR H . . 3.160 2.041 1.931 2.180 . 0 0 "[ . 1 . 2]" 1
1255 1 62 VAL MG1 1 63 THR HB . . 4.560 4.213 4.137 4.304 . 0 0 "[ . 1 . 2]" 1
1256 1 62 VAL MG1 1 64 HIS H . . 5.190 3.982 3.759 4.401 . 0 0 "[ . 1 . 2]" 1
1257 1 62 VAL MG1 1 64 HIS HD2 . . 4.290 3.191 2.666 3.811 . 0 0 "[ . 1 . 2]" 1
1258 1 62 VAL MG1 1 64 HIS HE1 . . 3.250 3.223 3.008 3.264 0.014 14 0 "[ . 1 . 2]" 1
1259 1 62 VAL MG2 1 63 THR H . . 3.920 3.926 3.894 3.954 0.034 10 0 "[ . 1 . 2]" 1
1260 1 63 THR H 1 63 THR HB . . 3.130 2.475 2.401 2.552 . 0 0 "[ . 1 . 2]" 1
1261 1 63 THR H 1 63 THR MG . . 3.810 3.684 3.385 3.737 . 0 0 "[ . 1 . 2]" 1
1262 1 63 THR H 1 64 HIS H . . 4.770 4.216 4.090 4.390 . 0 0 "[ . 1 . 2]" 1
1263 1 63 THR H 1 65 ILE MD . . 5.140 4.526 4.333 4.717 . 0 0 "[ . 1 . 2]" 1
1264 1 63 THR HA 1 63 THR MG . . 3.360 2.617 2.512 2.832 . 0 0 "[ . 1 . 2]" 1
1265 1 63 THR HA 1 64 HIS H . . 2.930 2.153 2.149 2.173 . 0 0 "[ . 1 . 2]" 1
1266 1 63 THR HA 1 64 HIS HD2 . . 4.090 3.648 3.203 4.089 . 0 0 "[ . 1 . 2]" 1
1267 1 63 THR HB 1 64 HIS H . . 4.590 4.581 4.540 4.620 0.030 9 0 "[ . 1 . 2]" 1
1268 1 63 THR HB 1 65 ILE MD . . 4.310 3.420 3.167 3.754 . 0 0 "[ . 1 . 2]" 1
1269 1 63 THR HB 1 105 VAL MG1 . . 3.910 3.493 3.281 3.776 . 0 0 "[ . 1 . 2]" 1
1270 1 63 THR HB 1 105 VAL MG2 . . 3.800 3.348 3.066 3.486 . 0 0 "[ . 1 . 2]" 1
1271 1 63 THR MG 1 64 HIS H . . 3.550 3.112 2.878 3.264 . 0 0 "[ . 1 . 2]" 1
1272 1 63 THR MG 1 64 HIS HA . . 4.540 3.824 3.536 3.959 . 0 0 "[ . 1 . 2]" 1
1273 1 63 THR MG 1 65 ILE MD . . 2.800 1.903 1.720 2.187 . 0 0 "[ . 1 . 2]" 1
1274 1 64 HIS H 1 64 HIS HB2 . . 3.590 2.491 2.431 2.554 . 0 0 "[ . 1 . 2]" 1
1275 1 64 HIS H 1 64 HIS HB3 . . 3.990 3.636 3.600 3.679 . 0 0 "[ . 1 . 2]" 1
1276 1 64 HIS H 1 64 HIS HD2 . . 3.610 2.680 2.425 3.232 . 0 0 "[ . 1 . 2]" 1
1277 1 64 HIS H 1 65 ILE H . . 4.870 4.325 4.246 4.413 . 0 0 "[ . 1 . 2]" 1
1278 1 64 HIS H 1 65 ILE MD . . 5.500 4.445 4.270 4.721 . 0 0 "[ . 1 . 2]" 1
1279 1 64 HIS H 1 65 ILE HG13 . . 5.500 4.693 4.489 4.876 . 0 0 "[ . 1 . 2]" 1
1280 1 64 HIS HA 1 65 ILE H . . 3.030 2.194 2.186 2.216 . 0 0 "[ . 1 . 2]" 1
1281 1 64 HIS HA 1 65 ILE HB . . 4.490 4.497 4.446 4.528 0.038 12 0 "[ . 1 . 2]" 1
1282 1 64 HIS HA 1 65 ILE HG13 . . 4.760 4.487 4.307 4.640 . 0 0 "[ . 1 . 2]" 1
1283 1 64 HIS HB2 1 64 HIS HD2 . . 3.240 2.896 2.774 3.002 . 0 0 "[ . 1 . 2]" 1
1284 1 64 HIS HB2 1 65 ILE H . . 4.780 4.436 4.328 4.513 . 0 0 "[ . 1 . 2]" 1
1285 1 64 HIS HB3 1 65 ILE H . . 4.520 3.719 3.535 3.878 . 0 0 "[ . 1 . 2]" 1
1286 1 65 ILE H 1 65 ILE HB . . 3.380 2.356 2.271 2.466 . 0 0 "[ . 1 . 2]" 1
1287 1 65 ILE H 1 65 ILE MD . . 4.060 2.499 2.349 2.607 . 0 0 "[ . 1 . 2]" 1
1288 1 65 ILE H 1 65 ILE HG12 . . 4.220 4.227 4.194 4.276 0.056 12 0 "[ . 1 . 2]" 1
1289 1 65 ILE H 1 65 ILE HG13 . . 3.940 3.193 3.155 3.245 . 0 0 "[ . 1 . 2]" 1
1290 1 65 ILE H 1 65 ILE MG . . 4.000 3.708 3.656 3.764 . 0 0 "[ . 1 . 2]" 1
1291 1 65 ILE H 1 66 LYS H . . 5.160 4.114 4.064 4.197 . 0 0 "[ . 1 . 2]" 1
1292 1 65 ILE HA 1 65 ILE MD . . 3.560 3.552 3.507 3.584 0.024 19 0 "[ . 1 . 2]" 1
1293 1 65 ILE HA 1 65 ILE HG12 . . 3.630 3.253 3.163 3.313 . 0 0 "[ . 1 . 2]" 1
1294 1 65 ILE HA 1 65 ILE HG13 . . 3.660 2.273 2.222 2.327 . 0 0 "[ . 1 . 2]" 1
1295 1 65 ILE HA 1 65 ILE MG . . 3.060 2.457 2.388 2.503 . 0 0 "[ . 1 . 2]" 1
1296 1 65 ILE HA 1 66 LYS H . . 2.900 2.249 2.214 2.262 . 0 0 "[ . 1 . 2]" 1
1297 1 65 ILE HB 1 65 ILE MD . . 3.120 2.081 1.977 2.139 . 0 0 "[ . 1 . 2]" 1
1298 1 65 ILE MD 1 65 ILE MG . . 2.980 2.937 2.854 2.987 0.007 13 0 "[ . 1 . 2]" 1
1299 1 65 ILE MD 1 97 ILE MD . . 3.090 1.942 1.810 2.107 . 0 0 "[ . 1 . 2]" 1
1300 1 65 ILE MD 1 97 ILE MG . . 3.200 2.498 2.012 2.880 . 0 0 "[ . 1 . 2]" 1
1301 1 65 ILE HG12 1 65 ILE MG . . 3.100 1.968 1.961 1.999 . 0 0 "[ . 1 . 2]" 1
1302 1 65 ILE HG13 1 65 ILE MG . . 3.210 2.931 2.891 2.994 . 0 0 "[ . 1 . 2]" 1
1303 1 65 ILE HG13 1 97 ILE MD . . 4.110 3.824 3.356 4.124 0.014 19 0 "[ . 1 . 2]" 1
1304 1 65 ILE HG13 1 97 ILE MG . . 4.280 3.023 2.561 3.295 . 0 0 "[ . 1 . 2]" 1
1305 1 65 ILE MG 1 66 LYS H . . 3.400 3.312 3.171 3.389 . 0 0 "[ . 1 . 2]" 1
1306 1 65 ILE MG 1 97 ILE MD . . 3.460 2.759 2.441 3.008 . 0 0 "[ . 1 . 2]" 1
1307 1 65 ILE MG 1 97 ILE MG . . 2.980 2.945 2.702 3.007 0.027 8 0 "[ . 1 . 2]" 1
1308 1 66 LYS H 1 66 LYS QB . . 3.300 2.162 1.988 2.326 . 0 0 "[ . 1 . 2]" 1
1309 1 66 LYS H 1 66 LYS QD . . 4.370 3.588 2.293 4.257 . 0 0 "[ . 1 . 2]" 1
1310 1 66 LYS H 1 66 LYS QE . . 5.500 4.271 2.454 5.195 . 0 0 "[ . 1 . 2]" 1
1311 1 66 LYS H 1 66 LYS HG2 . . 4.330 3.865 2.574 4.236 . 0 0 "[ . 1 . 2]" 1
1312 1 66 LYS H 1 66 LYS HG3 . . 3.680 2.892 2.342 3.401 . 0 0 "[ . 1 . 2]" 1
1313 1 66 LYS HA 1 66 LYS QD . . 4.220 3.809 2.909 4.022 . 0 0 "[ . 1 . 2]" 1
1314 1 66 LYS HA 1 66 LYS HG2 . . 3.670 2.595 2.160 3.207 . 0 0 "[ . 1 . 2]" 1
1315 1 66 LYS HA 1 66 LYS HG3 . . 3.760 2.524 2.007 3.572 . 0 0 "[ . 1 . 2]" 1
1316 1 66 LYS HA 1 67 VAL H . . 2.930 2.282 2.178 2.396 . 0 0 "[ . 1 . 2]" 1
1317 1 66 LYS HA 1 67 VAL HB . . 4.650 4.360 4.232 4.459 . 0 0 "[ . 1 . 2]" 1
1318 1 66 LYS HA 1 67 VAL MG2 . . 4.010 3.653 3.448 3.800 . 0 0 "[ . 1 . 2]" 1
1319 1 66 LYS QB 1 66 LYS QE . . 3.870 3.293 2.351 3.721 . 0 0 "[ . 1 . 2]" 1
1320 1 66 LYS QB 1 67 VAL H . . 4.170 3.037 2.630 3.542 . 0 0 "[ . 1 . 2]" 1
1321 1 66 LYS QE 1 66 LYS HG2 . . 3.620 2.673 1.998 3.358 . 0 0 "[ . 1 . 2]" 1
1322 1 66 LYS HG2 1 67 VAL H . . 4.780 3.834 2.782 4.378 . 0 0 "[ . 1 . 2]" 1
1323 1 67 VAL H 1 67 VAL HB . . 3.590 2.442 2.285 2.563 . 0 0 "[ . 1 . 2]" 1
1324 1 67 VAL H 1 67 VAL MG1 . . 4.260 3.722 3.658 3.780 . 0 0 "[ . 1 . 2]" 1
1325 1 67 VAL H 1 67 VAL MG2 . . 3.400 2.903 2.544 3.186 . 0 0 "[ . 1 . 2]" 1
1326 1 67 VAL H 1 68 MET H . . 5.170 4.269 4.054 4.510 . 0 0 "[ . 1 . 2]" 1
1327 1 67 VAL HA 1 67 VAL MG1 . . 3.220 2.481 2.414 2.584 . 0 0 "[ . 1 . 2]" 1
1328 1 67 VAL HA 1 67 VAL MG2 . . 3.170 2.220 2.138 2.387 . 0 0 "[ . 1 . 2]" 1
1329 1 67 VAL HA 1 68 MET H . . 3.070 2.194 2.182 2.222 . 0 0 "[ . 1 . 2]" 1
1330 1 67 VAL HA 1 75 THR H . . 5.020 3.836 3.684 3.989 . 0 0 "[ . 1 . 2]" 1
1331 1 67 VAL HA 1 76 VAL HA . . 3.830 2.739 2.516 3.028 . 0 0 "[ . 1 . 2]" 1
1332 1 67 VAL HA 1 76 VAL MG1 . . 3.470 3.235 3.040 3.474 0.004 20 0 "[ . 1 . 2]" 1
1333 1 67 VAL HB 1 85 LEU MD1 . . 4.450 3.549 3.298 3.766 . 0 0 "[ . 1 . 2]" 1
1334 1 67 VAL HB 1 85 LEU MD2 . . 4.670 4.256 4.034 4.510 . 0 0 "[ . 1 . 2]" 1
1335 1 67 VAL MG1 1 68 MET H . . 3.590 2.948 2.543 3.341 . 0 0 "[ . 1 . 2]" 1
1336 1 67 VAL MG1 1 69 CYS H . . 5.500 4.073 3.761 4.414 . 0 0 "[ . 1 . 2]" 1
1337 1 67 VAL MG1 1 74 TYR HA . . 4.240 3.131 3.036 3.339 . 0 0 "[ . 1 . 2]" 1
1338 1 67 VAL MG1 1 74 TYR HB2 . . 3.830 3.772 3.528 3.846 0.016 2 0 "[ . 1 . 2]" 1
1339 1 67 VAL MG1 1 74 TYR HB3 . . 3.450 2.346 2.125 2.453 . 0 0 "[ . 1 . 2]" 1
1340 1 67 VAL MG1 1 74 TYR QD . . 3.110 2.141 1.842 2.573 . 0 0 "[ . 1 . 2]" 1
1341 1 67 VAL MG1 1 74 TYR QE . . 3.840 3.516 3.047 3.843 0.003 3 0 "[ . 1 . 2]" 1
1342 1 67 VAL MG1 1 75 THR H . . 3.770 2.671 2.524 2.866 . 0 0 "[ . 1 . 2]" 1
1343 1 67 VAL MG1 1 76 VAL HA . . 4.340 4.313 4.238 4.353 0.013 19 0 "[ . 1 . 2]" 1
1344 1 67 VAL MG1 1 88 LEU MD2 . . 3.670 3.531 3.375 3.673 0.003 3 0 "[ . 1 . 2]" 1
1345 1 67 VAL MG2 1 68 MET H . . 4.110 4.014 3.817 4.111 0.001 20 0 "[ . 1 . 2]" 1
1346 1 67 VAL MG2 1 85 LEU MD1 . . 3.870 2.358 2.058 2.705 . 0 0 "[ . 1 . 2]" 1
1347 1 67 VAL MG2 1 85 LEU MD2 . . 3.750 3.656 3.482 3.760 0.010 7 0 "[ . 1 . 2]" 1
1348 1 67 VAL MG2 1 88 LEU MD2 . . 3.120 2.663 2.410 3.116 . 0 0 "[ . 1 . 2]" 1
1349 1 68 MET H 1 68 MET HB2 . . 3.540 2.230 2.067 2.379 . 0 0 "[ . 1 . 2]" 1
1350 1 68 MET H 1 68 MET HB3 . . 3.910 3.490 3.378 3.561 . 0 0 "[ . 1 . 2]" 1
1351 1 68 MET H 1 68 MET ME . . 3.640 2.833 2.328 3.638 . 0 0 "[ . 1 . 2]" 1
1352 1 68 MET H 1 68 MET HG2 . . 4.370 4.106 3.892 4.270 . 0 0 "[ . 1 . 2]" 1
1353 1 68 MET H 1 68 MET HG3 . . 3.830 2.966 2.547 3.860 0.030 19 0 "[ . 1 . 2]" 1
1354 1 68 MET H 1 74 TYR HA . . 5.430 4.463 4.057 4.808 . 0 0 "[ . 1 . 2]" 1
1355 1 68 MET H 1 75 THR H . . 4.050 2.697 2.396 3.028 . 0 0 "[ . 1 . 2]" 1
1356 1 68 MET H 1 75 THR MG . . 3.800 3.212 3.062 3.349 . 0 0 "[ . 1 . 2]" 1
1357 1 68 MET H 1 76 VAL HA . . 4.240 3.245 3.079 3.432 . 0 0 "[ . 1 . 2]" 1
1358 1 68 MET H 1 76 VAL MG1 . . 4.420 4.375 4.251 4.428 0.008 7 0 "[ . 1 . 2]" 1
1359 1 68 MET HA 1 68 MET HG2 . . 3.670 2.881 2.574 3.556 . 0 0 "[ . 1 . 2]" 1
1360 1 68 MET HA 1 68 MET HG3 . . 3.550 2.475 2.183 2.571 . 0 0 "[ . 1 . 2]" 1
1361 1 68 MET HA 1 69 CYS H . . 3.140 2.209 2.203 2.225 . 0 0 "[ . 1 . 2]" 1
1362 1 68 MET HA 1 75 THR MG . . 4.620 4.303 4.096 4.437 . 0 0 "[ . 1 . 2]" 1
1363 1 68 MET HB2 1 75 THR H . . 4.800 3.234 3.048 3.438 . 0 0 "[ . 1 . 2]" 1
1364 1 68 MET HB2 1 75 THR MG . . 2.970 1.940 1.925 1.958 . 0 0 "[ . 1 . 2]" 1
1365 1 68 MET HB3 1 69 CYS H . . 3.870 3.664 3.416 3.899 0.029 20 0 "[ . 1 . 2]" 1
1366 1 68 MET HB3 1 75 THR H . . 4.920 4.268 3.822 4.725 . 0 0 "[ . 1 . 2]" 1
1367 1 68 MET HB3 1 75 THR MG . . 3.230 2.800 2.245 3.224 . 0 0 "[ . 1 . 2]" 1
1368 1 68 MET ME 1 68 MET HG2 . . 3.620 3.153 2.134 3.336 . 0 0 "[ . 1 . 2]" 1
1369 1 68 MET ME 1 68 MET HG3 . . 3.290 2.276 2.080 3.326 0.036 19 0 "[ . 1 . 2]" 1
1370 1 68 MET ME 1 75 THR MG . . 3.150 3.008 2.779 3.153 0.003 14 0 "[ . 1 . 2]" 1
1371 1 68 MET ME 1 76 VAL HA . . 3.450 2.650 2.142 3.324 . 0 0 "[ . 1 . 2]" 1
1372 1 68 MET ME 1 76 VAL MG2 . . 4.220 3.991 3.816 4.211 . 0 0 "[ . 1 . 2]" 1
1373 1 68 MET ME 1 77 GLY H . . 4.020 2.563 2.375 2.828 . 0 0 "[ . 1 . 2]" 1
1374 1 68 MET ME 1 77 GLY HA2 . . 3.660 2.268 1.868 2.733 . 0 0 "[ . 1 . 2]" 1
1375 1 68 MET ME 1 77 GLY HA3 . . 3.540 2.279 2.045 2.593 . 0 0 "[ . 1 . 2]" 1
1376 1 68 MET ME 1 78 GLY H . . 5.500 4.081 3.925 4.280 . 0 0 "[ . 1 . 2]" 1
1377 1 68 MET HG2 1 75 THR MG . . 4.340 4.234 3.443 4.350 0.010 1 0 "[ . 1 . 2]" 1
1378 1 68 MET HG3 1 69 CYS H . . 4.830 4.604 3.884 4.791 . 0 0 "[ . 1 . 2]" 1
1379 1 68 MET HG3 1 75 THR MG . . 4.200 4.200 4.162 4.226 0.026 19 0 "[ . 1 . 2]" 1
1380 1 69 CYS H 1 69 CYS HB2 . . 3.520 3.113 2.734 3.626 0.106 14 0 "[ . 1 . 2]" 1
1381 1 69 CYS H 1 69 CYS HB3 . . 3.380 2.596 2.403 2.972 . 0 0 "[ . 1 . 2]" 1
1382 1 69 CYS H 1 74 TYR HA . . 5.500 4.667 4.523 4.758 . 0 0 "[ . 1 . 2]" 1
1383 1 69 CYS H 1 74 TYR QE . . 5.310 4.945 4.721 5.258 . 0 0 "[ . 1 . 2]" 1
1384 1 69 CYS H 1 75 THR MG . . 5.500 4.914 4.620 5.151 . 0 0 "[ . 1 . 2]" 1
1385 1 69 CYS HA 1 70 GLU H . . 3.140 2.291 2.274 2.298 . 0 0 "[ . 1 . 2]" 1
1386 1 69 CYS HA 1 73 ARG H . . 4.680 4.029 3.739 4.687 0.007 18 0 "[ . 1 . 2]" 1
1387 1 69 CYS HA 1 74 TYR H . . 4.690 4.661 4.519 4.703 0.013 18 0 "[ . 1 . 2]" 1
1388 1 69 CYS HA 1 74 TYR HA . . 3.580 2.493 2.373 2.648 . 0 0 "[ . 1 . 2]" 1
1389 1 69 CYS HA 1 74 TYR QD . . 4.170 2.837 2.277 3.446 . 0 0 "[ . 1 . 2]" 1
1390 1 69 CYS HA 1 75 THR H . . 4.560 3.999 3.905 4.154 . 0 0 "[ . 1 . 2]" 1
1391 1 69 CYS HB2 1 70 GLU H . . 4.740 4.445 3.981 4.651 . 0 0 "[ . 1 . 2]" 1
1392 1 69 CYS HB2 1 74 TYR QD . . 4.130 2.763 2.284 3.755 . 0 0 "[ . 1 . 2]" 1
1393 1 69 CYS HB2 1 74 TYR QE . . 3.270 2.281 2.015 3.076 . 0 0 "[ . 1 . 2]" 1
1394 1 69 CYS HB3 1 70 GLU H . . 4.940 4.566 4.499 4.627 . 0 0 "[ . 1 . 2]" 1
1395 1 69 CYS HB3 1 74 TYR QD . . 4.690 3.735 2.198 4.422 . 0 0 "[ . 1 . 2]" 1
1396 1 69 CYS HB3 1 74 TYR QE . . 3.810 3.166 2.000 3.752 . 0 0 "[ . 1 . 2]" 1
1397 1 70 GLU H 1 70 GLU HB2 . . 3.760 3.136 2.530 3.831 0.071 16 0 "[ . 1 . 2]" 1
1398 1 70 GLU H 1 70 GLU HB3 . . 3.890 3.546 3.051 3.831 . 0 0 "[ . 1 . 2]" 1
1399 1 70 GLU H 1 70 GLU QG . . 4.230 2.635 1.969 3.217 . 0 0 "[ . 1 . 2]" 1
1400 1 70 GLU H 1 72 GLY H . . 5.500 4.385 4.050 4.823 . 0 0 "[ . 1 . 2]" 1
1401 1 70 GLU H 1 73 ARG H . . 3.670 3.015 2.885 3.552 . 0 0 "[ . 1 . 2]" 1
1402 1 70 GLU H 1 74 TYR H . . 5.500 5.066 4.949 5.207 . 0 0 "[ . 1 . 2]" 1
1403 1 70 GLU H 1 74 TYR HA . . 4.210 3.622 3.358 3.830 . 0 0 "[ . 1 . 2]" 1
1404 1 70 GLU H 1 75 THR MG . . 4.940 3.676 3.440 3.911 . 0 0 "[ . 1 . 2]" 1
1405 1 70 GLU HA 1 70 GLU QG . . 3.700 2.798 2.161 3.455 . 0 0 "[ . 1 . 2]" 1
1406 1 70 GLU QG 1 75 THR MG . . 3.940 3.349 2.483 3.896 . 0 0 "[ . 1 . 2]" 1
1407 1 71 GLY HA2 1 73 ARG H . . 4.620 4.375 4.182 4.602 . 0 0 "[ . 1 . 2]" 1
1408 1 72 GLY H 1 73 ARG H . . 3.830 2.648 2.571 2.816 . 0 0 "[ . 1 . 2]" 1
1409 1 73 ARG H 1 73 ARG HB2 . . 3.500 2.522 2.189 2.631 . 0 0 "[ . 1 . 2]" 1
1410 1 73 ARG H 1 73 ARG HB3 . . 3.830 3.663 3.442 3.732 . 0 0 "[ . 1 . 2]" 1
1411 1 73 ARG H 1 73 ARG HD2 . . 5.160 4.750 4.119 5.034 . 0 0 "[ . 1 . 2]" 1
1412 1 73 ARG H 1 73 ARG HD3 . . 4.980 4.929 4.528 5.173 0.193 18 0 "[ . 1 . 2]" 1
1413 1 73 ARG H 1 73 ARG QG . . 3.530 3.174 2.854 3.535 0.005 1 0 "[ . 1 . 2]" 1
1414 1 73 ARG H 1 74 TYR H . . 4.880 4.437 4.361 4.601 . 0 0 "[ . 1 . 2]" 1
1415 1 73 ARG H 1 74 TYR HA . . 5.500 4.794 4.652 5.158 . 0 0 "[ . 1 . 2]" 1
1416 1 73 ARG H 1 81 THR MG . . 5.500 5.281 5.042 5.435 . 0 0 "[ . 1 . 2]" 1
1417 1 73 ARG HA 1 74 TYR H . . 3.390 2.321 2.257 2.437 . 0 0 "[ . 1 . 2]" 1
1418 1 73 ARG HA 1 82 PHE H . . 4.900 3.553 3.384 3.738 . 0 0 "[ . 1 . 2]" 1
1419 1 73 ARG HB2 1 73 ARG HD3 . . 3.650 2.862 2.346 4.173 0.523 11 2 "[ - . 1+ . 2]" 1
1420 1 73 ARG HB2 1 74 TYR H . . 4.250 4.178 4.013 4.249 . 0 0 "[ . 1 . 2]" 1
1421 1 73 ARG HB2 1 81 THR HB . . 3.770 3.683 3.504 3.775 0.005 6 0 "[ . 1 . 2]" 1
1422 1 73 ARG HB2 1 81 THR MG . . 3.890 3.310 3.127 3.476 . 0 0 "[ . 1 . 2]" 1
1423 1 73 ARG HB2 1 82 PHE H . . 4.970 4.764 4.465 4.970 . 0 0 "[ . 1 . 2]" 1
1424 1 73 ARG HB3 1 73 ARG HD2 . . 4.000 3.263 2.037 3.709 . 0 0 "[ . 1 . 2]" 1
1425 1 73 ARG HB3 1 73 ARG HD3 . . 3.820 2.669 2.266 3.379 . 0 0 "[ . 1 . 2]" 1
1426 1 73 ARG HB3 1 73 ARG HE . . 5.500 3.905 3.407 4.762 . 0 0 "[ . 1 . 2]" 1
1427 1 73 ARG HB3 1 74 TYR H . . 3.790 3.037 2.742 3.266 . 0 0 "[ . 1 . 2]" 1
1428 1 73 ARG HB3 1 81 THR HB . . 3.450 2.032 1.994 2.111 . 0 0 "[ . 1 . 2]" 1
1429 1 73 ARG HB3 1 81 THR MG . . 3.620 2.452 2.276 2.620 . 0 0 "[ . 1 . 2]" 1
1430 1 73 ARG HB3 1 82 PHE H . . 4.680 3.096 2.761 3.367 . 0 0 "[ . 1 . 2]" 1
1431 1 73 ARG HD2 1 81 THR MG . . 4.630 4.055 3.201 4.639 0.009 1 0 "[ . 1 . 2]" 1
1432 1 73 ARG HD3 1 74 TYR H . . 5.500 5.227 4.403 5.488 . 0 0 "[ . 1 . 2]" 1
1433 1 73 ARG HD3 1 81 THR HB . . 4.700 3.157 2.258 3.961 . 0 0 "[ . 1 . 2]" 1
1434 1 73 ARG HD3 1 81 THR MG . . 4.480 3.213 2.392 4.647 0.167 3 0 "[ . 1 . 2]" 1
1435 1 73 ARG HE 1 81 THR HB . . 4.460 3.637 2.934 4.352 . 0 0 "[ . 1 . 2]" 1
1436 1 73 ARG QG 1 74 TYR H . . 4.430 3.856 3.294 4.446 0.016 6 0 "[ . 1 . 2]" 1
1437 1 73 ARG QG 1 81 THR HB . . 4.280 3.176 2.707 4.027 . 0 0 "[ . 1 . 2]" 1
1438 1 73 ARG QG 1 81 THR MG . . 3.980 3.911 3.667 3.989 0.009 20 0 "[ . 1 . 2]" 1
1439 1 73 ARG QG 1 82 PHE H . . 5.470 3.848 2.965 4.982 . 0 0 "[ . 1 . 2]" 1
1440 1 74 TYR H 1 74 TYR HB2 . . 3.730 2.248 2.165 2.340 . 0 0 "[ . 1 . 2]" 1
1441 1 74 TYR H 1 74 TYR HB3 . . 3.980 3.508 3.458 3.568 . 0 0 "[ . 1 . 2]" 1
1442 1 74 TYR H 1 74 TYR QD . . 3.310 3.098 2.620 3.315 0.005 20 0 "[ . 1 . 2]" 1
1443 1 74 TYR H 1 75 THR MG . . 5.470 4.774 4.667 4.878 . 0 0 "[ . 1 . 2]" 1
1444 1 74 TYR H 1 81 THR HB . . 4.470 3.461 3.121 3.714 . 0 0 "[ . 1 . 2]" 1
1445 1 74 TYR H 1 81 THR MG . . 4.280 4.242 4.145 4.293 0.013 2 0 "[ . 1 . 2]" 1
1446 1 74 TYR H 1 82 PHE HB3 . . 5.500 4.679 4.501 4.870 . 0 0 "[ . 1 . 2]" 1
1447 1 74 TYR H 1 82 PHE QD . . 5.270 3.859 3.727 3.998 . 0 0 "[ . 1 . 2]" 1
1448 1 74 TYR HA 1 74 TYR QD . . 3.560 2.450 2.103 2.902 . 0 0 "[ . 1 . 2]" 1
1449 1 74 TYR HA 1 75 THR H . . 2.990 2.252 2.231 2.285 . 0 0 "[ . 1 . 2]" 1
1450 1 74 TYR HA 1 75 THR MG . . 3.900 3.303 3.149 3.416 . 0 0 "[ . 1 . 2]" 1
1451 1 74 TYR HA 1 82 PHE H . . 5.500 4.514 4.404 4.664 . 0 0 "[ . 1 . 2]" 1
1452 1 74 TYR HA 1 88 LEU MD1 . . 4.500 3.873 3.660 4.090 . 0 0 "[ . 1 . 2]" 1
1453 1 74 TYR HB2 1 75 THR H . . 4.640 4.203 4.086 4.290 . 0 0 "[ . 1 . 2]" 1
1454 1 74 TYR HB2 1 82 PHE H . . 4.750 3.226 3.037 3.550 . 0 0 "[ . 1 . 2]" 1
1455 1 74 TYR HB2 1 82 PHE HB2 . . 4.120 2.138 2.005 2.416 . 0 0 "[ . 1 . 2]" 1
1456 1 74 TYR HB2 1 82 PHE HB3 . . 4.400 3.840 3.684 4.097 . 0 0 "[ . 1 . 2]" 1
1457 1 74 TYR HB2 1 84 SER H . . 5.260 5.076 4.885 5.267 0.007 20 0 "[ . 1 . 2]" 1
1458 1 74 TYR HB2 1 88 LEU MD1 . . 3.630 2.418 1.966 2.818 . 0 0 "[ . 1 . 2]" 1
1459 1 74 TYR HB3 1 75 THR H . . 4.070 3.176 3.048 3.263 . 0 0 "[ . 1 . 2]" 1
1460 1 74 TYR HB3 1 85 LEU HA . . 4.630 4.344 4.153 4.604 . 0 0 "[ . 1 . 2]" 1
1461 1 74 TYR HB3 1 85 LEU MD2 . . 4.460 3.103 2.883 3.417 . 0 0 "[ . 1 . 2]" 1
1462 1 74 TYR HB3 1 88 LEU MD1 . . 3.340 1.953 1.853 2.250 . 0 0 "[ . 1 . 2]" 1
1463 1 74 TYR QD 1 75 THR H . . 4.610 3.750 3.514 3.925 . 0 0 "[ . 1 . 2]" 1
1464 1 74 TYR QD 1 84 SER H . . 4.470 3.760 3.473 4.122 . 0 0 "[ . 1 . 2]" 1
1465 1 74 TYR QD 1 85 LEU HA . . 4.480 3.827 3.355 4.342 . 0 0 "[ . 1 . 2]" 1
1466 1 74 TYR QD 1 85 LEU MD2 . . 4.040 2.554 2.338 2.690 . 0 0 "[ . 1 . 2]" 1
1467 1 74 TYR QD 1 88 LEU MD1 . . 3.470 3.460 3.313 3.487 0.017 2 0 "[ . 1 . 2]" 1
1468 1 74 TYR QE 1 85 LEU H . . 4.160 3.439 2.910 4.154 . 0 0 "[ . 1 . 2]" 1
1469 1 74 TYR QE 1 85 LEU MD2 . . 4.220 2.557 2.388 2.755 . 0 0 "[ . 1 . 2]" 1
1470 1 75 THR H 1 75 THR HB . . 3.950 3.524 3.478 3.586 . 0 0 "[ . 1 . 2]" 1
1471 1 75 THR H 1 75 THR MG . . 3.060 2.330 2.191 2.429 . 0 0 "[ . 1 . 2]" 1
1472 1 75 THR H 1 88 LEU MD1 . . 4.170 3.468 3.279 3.659 . 0 0 "[ . 1 . 2]" 1
1473 1 75 THR HA 1 75 THR MG . . 3.550 3.238 3.220 3.245 . 0 0 "[ . 1 . 2]" 1
1474 1 75 THR HA 1 76 VAL H . . 3.160 2.290 2.247 2.333 . 0 0 "[ . 1 . 2]" 1
1475 1 75 THR HA 1 78 GLY H . . 5.250 4.232 4.133 4.362 . 0 0 "[ . 1 . 2]" 1
1476 1 75 THR HA 1 81 THR HA . . 4.190 3.299 3.198 3.389 . 0 0 "[ . 1 . 2]" 1
1477 1 75 THR HA 1 81 THR MG . . 4.080 3.902 3.738 4.021 . 0 0 "[ . 1 . 2]" 1
1478 1 75 THR HA 1 82 PHE H . . 4.880 4.829 4.631 4.886 0.006 8 0 "[ . 1 . 2]" 1
1479 1 75 THR HA 1 82 PHE QD . . 4.240 3.173 2.992 3.314 . 0 0 "[ . 1 . 2]" 1
1480 1 75 THR HA 1 88 LEU MD1 . . 3.670 2.822 2.433 3.140 . 0 0 "[ . 1 . 2]" 1
1481 1 75 THR HB 1 76 VAL H . . 3.990 3.962 3.910 3.992 0.002 15 0 "[ . 1 . 2]" 1
1482 1 75 THR HB 1 77 GLY H . . 5.030 3.990 3.933 4.018 . 0 0 "[ . 1 . 2]" 1
1483 1 75 THR HB 1 81 THR HA . . 3.810 2.677 2.603 2.792 . 0 0 "[ . 1 . 2]" 1
1484 1 75 THR HB 1 81 THR HB . . 4.110 3.994 3.863 4.117 0.007 14 0 "[ . 1 . 2]" 1
1485 1 75 THR HB 1 81 THR MG . . 3.080 2.019 1.952 2.199 . 0 0 "[ . 1 . 2]" 1
1486 1 75 THR HB 1 82 PHE H . . 4.990 4.456 4.305 4.591 . 0 0 "[ . 1 . 2]" 1
1487 1 75 THR HG1 1 76 VAL H . . 4.810 2.794 2.019 3.597 . 0 0 "[ . 1 . 2]" 1
1488 1 75 THR HG1 1 77 GLY H . . 4.630 2.479 2.119 2.808 . 0 0 "[ . 1 . 2]" 1
1489 1 75 THR HG1 1 78 GLY H . . 5.070 2.116 1.940 2.670 . 0 0 "[ . 1 . 2]" 1
1490 1 75 THR HG1 1 80 GLU H . . 5.500 4.829 4.525 5.255 . 0 0 "[ . 1 . 2]" 1
1491 1 75 THR HG1 1 81 THR MG . . 4.380 3.371 2.928 3.836 . 0 0 "[ . 1 . 2]" 1
1492 1 75 THR MG 1 76 VAL H . . 4.620 3.924 3.812 4.106 . 0 0 "[ . 1 . 2]" 1
1493 1 75 THR MG 1 77 GLY H . . 4.350 2.788 2.596 3.003 . 0 0 "[ . 1 . 2]" 1
1494 1 75 THR MG 1 77 GLY HA2 . . 4.380 3.462 3.309 3.619 . 0 0 "[ . 1 . 2]" 1
1495 1 75 THR MG 1 78 GLY H . . 4.580 3.794 3.369 4.229 . 0 0 "[ . 1 . 2]" 1
1496 1 75 THR MG 1 81 THR HA . . 4.240 4.238 4.191 4.259 0.019 19 0 "[ . 1 . 2]" 1
1497 1 75 THR MG 1 82 PHE H . . 5.090 5.090 5.024 5.120 0.030 2 0 "[ . 1 . 2]" 1
1498 1 76 VAL H 1 76 VAL MG1 . . 3.750 2.292 2.015 2.532 . 0 0 "[ . 1 . 2]" 1
1499 1 76 VAL H 1 76 VAL MG2 . . 3.170 2.253 2.168 2.347 . 0 0 "[ . 1 . 2]" 1
1500 1 76 VAL H 1 77 GLY HA2 . . 5.430 4.845 4.803 4.910 . 0 0 "[ . 1 . 2]" 1
1501 1 76 VAL H 1 77 GLY HA3 . . 5.240 4.914 4.874 4.970 . 0 0 "[ . 1 . 2]" 1
1502 1 76 VAL H 1 78 GLY H . . 4.750 2.969 2.831 3.178 . 0 0 "[ . 1 . 2]" 1
1503 1 76 VAL H 1 81 THR HA . . 5.440 5.161 5.040 5.287 . 0 0 "[ . 1 . 2]" 1
1504 1 76 VAL H 1 82 PHE QD . . 5.500 4.983 4.841 5.140 . 0 0 "[ . 1 . 2]" 1
1505 1 76 VAL H 1 92 PHE QE . . 5.500 3.945 3.704 4.254 . 0 0 "[ . 1 . 2]" 1
1506 1 76 VAL HA 1 76 VAL MG1 . . 3.190 2.400 2.304 2.519 . 0 0 "[ . 1 . 2]" 1
1507 1 76 VAL HA 1 76 VAL MG2 . . 3.390 3.196 3.187 3.207 . 0 0 "[ . 1 . 2]" 1
1508 1 76 VAL HB 1 77 GLY H . . 5.110 4.531 4.491 4.567 . 0 0 "[ . 1 . 2]" 1
1509 1 76 VAL MG1 1 92 PHE QD . . 4.690 3.594 3.385 3.749 . 0 0 "[ . 1 . 2]" 1
1510 1 76 VAL MG1 1 92 PHE QE . . 3.690 2.399 2.177 2.611 . 0 0 "[ . 1 . 2]" 1
1511 1 76 VAL MG1 1 92 PHE HZ . . 4.500 2.753 2.197 3.170 . 0 0 "[ . 1 . 2]" 1
1512 1 76 VAL MG1 1 97 ILE MD . . 3.820 3.784 3.690 3.831 0.011 15 0 "[ . 1 . 2]" 1
1513 1 76 VAL MG1 1 97 ILE MG . . 4.490 4.419 4.173 4.500 0.010 4 0 "[ . 1 . 2]" 1
1514 1 76 VAL MG2 1 77 GLY H . . 4.490 3.053 2.984 3.133 . 0 0 "[ . 1 . 2]" 1
1515 1 76 VAL MG2 1 78 GLY H . . 4.370 2.884 2.428 3.350 . 0 0 "[ . 1 . 2]" 1
1516 1 76 VAL MG2 1 78 GLY HA2 . . 4.760 4.538 4.340 4.767 0.007 9 0 "[ . 1 . 2]" 1
1517 1 76 VAL MG2 1 78 GLY HA3 . . 4.760 3.606 3.454 3.800 . 0 0 "[ . 1 . 2]" 1
1518 1 76 VAL MG2 1 92 PHE QE . . 3.700 2.790 2.546 2.997 . 0 0 "[ . 1 . 2]" 1
1519 1 76 VAL MG2 1 92 PHE HZ . . 3.520 2.100 1.958 2.470 . 0 0 "[ . 1 . 2]" 1
1520 1 76 VAL MG2 1 97 ILE MG . . 3.920 3.752 3.426 3.927 0.007 20 0 "[ . 1 . 2]" 1
1521 1 77 GLY H 1 78 GLY H . . 3.820 1.926 1.889 2.050 . 0 0 "[ . 1 . 2]" 1
1522 1 78 GLY H 1 79 LEU H . . 4.760 4.479 4.430 4.535 . 0 0 "[ . 1 . 2]" 1
1523 1 78 GLY HA2 1 79 LEU H . . 3.530 2.571 2.520 2.585 . 0 0 "[ . 1 . 2]" 1
1524 1 78 GLY HA2 1 80 GLU H . . 4.440 4.544 4.250 4.851 0.411 19 0 "[ . 1 . 2]" 1
1525 1 78 GLY HA3 1 79 LEU HB2 . . 4.760 4.721 4.646 5.548 0.788 3 1 "[ + . 1 . 2]" 1
1526 1 79 LEU H 1 79 LEU HB2 . . 3.370 2.124 1.994 2.978 . 0 0 "[ . 1 . 2]" 1
1527 1 79 LEU H 1 79 LEU HB3 . . 4.010 3.273 2.044 3.451 . 0 0 "[ . 1 . 2]" 1
1528 1 79 LEU H 1 79 LEU QD . . 4.710 2.974 2.012 3.707 . 0 0 "[ . 1 . 2]" 1
1529 1 79 LEU H 1 79 LEU HG . . 3.920 3.577 3.163 3.924 0.004 5 0 "[ . 1 . 2]" 1
1530 1 79 LEU H 1 80 GLU H . . 3.550 2.616 2.456 2.799 . 0 0 "[ . 1 . 2]" 1
1531 1 79 LEU HA 1 79 LEU QD . . 2.900 2.381 1.938 2.780 . 0 0 "[ . 1 . 2]" 1
1532 1 79 LEU HA 1 79 LEU HG . . 3.640 2.718 2.172 3.669 0.029 19 0 "[ . 1 . 2]" 1
1533 1 79 LEU HB2 1 80 GLU H . . 3.920 3.054 2.608 4.072 0.152 3 0 "[ . 1 . 2]" 1
1534 1 79 LEU HB3 1 80 GLU H . . 4.080 3.225 2.717 3.517 . 0 0 "[ . 1 . 2]" 1
1535 1 79 LEU QD 1 80 GLU H . . 4.950 4.038 3.346 4.275 . 0 0 "[ . 1 . 2]" 1
1536 1 80 GLU H 1 80 GLU HB2 . . 3.670 2.462 2.368 2.611 . 0 0 "[ . 1 . 2]" 1
1537 1 80 GLU H 1 80 GLU HB3 . . 3.540 3.547 3.537 3.567 0.027 1 0 "[ . 1 . 2]" 1
1538 1 80 GLU H 1 80 GLU HG2 . . 3.830 3.548 2.668 3.900 0.070 11 0 "[ . 1 . 2]" 1
1539 1 80 GLU H 1 80 GLU HG3 . . 4.140 2.299 2.005 2.747 . 0 0 "[ . 1 . 2]" 1
1540 1 80 GLU H 1 81 THR H . . 4.710 4.653 4.616 4.670 . 0 0 "[ . 1 . 2]" 1
1541 1 80 GLU H 1 81 THR MG . . 5.490 4.607 4.478 4.694 . 0 0 "[ . 1 . 2]" 1
1542 1 80 GLU HA 1 80 GLU HG2 . . 3.410 2.820 2.293 3.221 . 0 0 "[ . 1 . 2]" 1
1543 1 80 GLU HA 1 80 GLU HG3 . . 3.690 2.670 2.235 3.396 . 0 0 "[ . 1 . 2]" 1
1544 1 80 GLU HA 1 81 THR H . . 2.910 2.320 2.245 2.388 . 0 0 "[ . 1 . 2]" 1
1545 1 80 GLU HA 1 81 THR MG . . 4.030 3.814 3.538 3.934 . 0 0 "[ . 1 . 2]" 1
1546 1 80 GLU HB2 1 81 THR H . . 3.950 4.035 3.859 4.264 0.314 18 0 "[ . 1 . 2]" 1
1547 1 80 GLU HB2 1 82 PHE QE . . 3.890 4.134 3.619 4.226 0.336 2 0 "[ . 1 . 2]" 1
1548 1 80 GLU HB2 1 82 PHE HZ . . 3.870 3.815 3.553 4.080 0.210 18 0 "[ . 1 . 2]" 1
1549 1 80 GLU HB3 1 81 THR H . . 4.430 2.937 2.734 3.224 . 0 0 "[ . 1 . 2]" 1
1550 1 80 GLU HB3 1 82 PHE QE . . 4.210 3.861 3.728 3.968 . 0 0 "[ . 1 . 2]" 1
1551 1 80 GLU HB3 1 82 PHE HZ . . 4.130 3.582 3.410 3.814 . 0 0 "[ . 1 . 2]" 1
1552 1 80 GLU HG3 1 81 THR H . . 4.570 4.712 4.235 5.270 0.700 3 3 "[*-+ . 1 . 2]" 1
1553 1 81 THR H 1 81 THR MG . . 3.750 3.228 3.036 3.313 . 0 0 "[ . 1 . 2]" 1
1554 1 81 THR H 1 82 PHE H . . 5.130 4.383 4.354 4.434 . 0 0 "[ . 1 . 2]" 1
1555 1 81 THR HA 1 81 THR MG . . 3.200 2.253 2.205 2.395 . 0 0 "[ . 1 . 2]" 1
1556 1 81 THR HA 1 82 PHE H . . 3.200 2.669 2.589 2.722 . 0 0 "[ . 1 . 2]" 1
1557 1 81 THR HB 1 82 PHE H . . 3.360 2.132 2.038 2.277 . 0 0 "[ . 1 . 2]" 1
1558 1 81 THR HB 1 82 PHE HB2 . . 5.050 5.059 5.018 5.094 0.044 2 0 "[ . 1 . 2]" 1
1559 1 81 THR MG 1 82 PHE H . . 3.740 3.511 3.432 3.611 . 0 0 "[ . 1 . 2]" 1
1560 1 82 PHE H 1 82 PHE HB2 . . 3.810 2.938 2.822 3.000 . 0 0 "[ . 1 . 2]" 1
1561 1 82 PHE H 1 82 PHE QD . . 3.530 3.079 2.958 3.245 . 0 0 "[ . 1 . 2]" 1
1562 1 82 PHE H 1 82 PHE QE . . 4.910 4.918 4.894 4.955 0.045 7 0 "[ . 1 . 2]" 1
1563 1 82 PHE H 1 83 ASP H . . 5.390 4.371 4.287 4.398 . 0 0 "[ . 1 . 2]" 1
1564 1 82 PHE H 1 88 LEU MD1 . . 4.910 4.272 3.845 4.617 . 0 0 "[ . 1 . 2]" 1
1565 1 82 PHE HA 1 82 PHE QD . . 3.550 2.981 2.868 3.109 . 0 0 "[ . 1 . 2]" 1
1566 1 82 PHE HA 1 84 SER H . . 4.360 4.218 3.926 4.352 . 0 0 "[ . 1 . 2]" 1
1567 1 82 PHE HB2 1 83 ASP H . . 4.510 3.587 3.322 3.842 . 0 0 "[ . 1 . 2]" 1
1568 1 82 PHE HB2 1 84 SER H . . 4.280 3.867 3.653 4.075 . 0 0 "[ . 1 . 2]" 1
1569 1 82 PHE HB2 1 87 ASP HB3 . . 4.420 4.229 3.815 4.429 0.009 2 0 "[ . 1 . 2]" 1
1570 1 82 PHE HB2 1 88 LEU H . . 4.640 4.290 4.030 4.520 . 0 0 "[ . 1 . 2]" 1
1571 1 82 PHE HB2 1 88 LEU HB2 . . 4.040 2.396 2.048 2.598 . 0 0 "[ . 1 . 2]" 1
1572 1 82 PHE HB2 1 88 LEU HB3 . . 4.460 4.027 3.613 4.302 . 0 0 "[ . 1 . 2]" 1
1573 1 82 PHE HB2 1 88 LEU MD1 . . 4.290 2.851 2.392 3.304 . 0 0 "[ . 1 . 2]" 1
1574 1 82 PHE HB3 1 83 ASP H . . 4.170 2.696 2.455 3.094 . 0 0 "[ . 1 . 2]" 1
1575 1 82 PHE HB3 1 84 SER H . . 3.730 3.052 2.921 3.155 . 0 0 "[ . 1 . 2]" 1
1576 1 82 PHE HB3 1 87 ASP HB2 . . 4.040 3.164 2.885 3.653 . 0 0 "[ . 1 . 2]" 1
1577 1 82 PHE HB3 1 87 ASP HB3 . . 3.990 2.512 2.164 2.749 . 0 0 "[ . 1 . 2]" 1
1578 1 82 PHE HB3 1 88 LEU H . . 4.490 3.659 3.376 3.845 . 0 0 "[ . 1 . 2]" 1
1579 1 82 PHE HB3 1 88 LEU HB2 . . 4.280 2.906 2.668 3.252 . 0 0 "[ . 1 . 2]" 1
1580 1 82 PHE HB3 1 88 LEU HB3 . . 4.770 4.389 3.943 4.730 . 0 0 "[ . 1 . 2]" 1
1581 1 82 PHE HB3 1 88 LEU MD1 . . 4.520 4.062 3.708 4.422 . 0 0 "[ . 1 . 2]" 1
1582 1 82 PHE QD 1 83 ASP H . . 5.260 4.196 4.103 4.405 . 0 0 "[ . 1 . 2]" 1
1583 1 82 PHE QD 1 84 SER H . . 4.930 4.889 4.797 4.938 0.008 5 0 "[ . 1 . 2]" 1
1584 1 82 PHE QD 1 87 ASP HB2 . . 4.130 4.047 3.807 4.132 0.002 1 0 "[ . 1 . 2]" 1
1585 1 82 PHE QD 1 87 ASP HB3 . . 3.630 2.470 2.142 2.739 . 0 0 "[ . 1 . 2]" 1
1586 1 82 PHE QD 1 88 LEU HA . . 4.180 2.989 2.776 3.246 . 0 0 "[ . 1 . 2]" 1
1587 1 82 PHE QD 1 88 LEU HB2 . . 3.870 2.843 2.484 3.100 . 0 0 "[ . 1 . 2]" 1
1588 1 82 PHE QD 1 88 LEU HB3 . . 4.450 4.223 3.970 4.415 . 0 0 "[ . 1 . 2]" 1
1589 1 82 PHE QD 1 88 LEU MD1 . . 3.220 1.943 1.799 2.097 . 0 0 "[ . 1 . 2]" 1
1590 1 82 PHE QE 1 88 LEU HA . . 4.130 3.123 2.946 3.300 . 0 0 "[ . 1 . 2]" 1
1591 1 82 PHE QE 1 88 LEU MD1 . . 3.840 2.746 2.146 3.175 . 0 0 "[ . 1 . 2]" 1
1592 1 82 PHE QE 1 88 LEU HG . . 4.420 2.605 2.354 2.905 . 0 0 "[ . 1 . 2]" 1
1593 1 82 PHE QE 1 91 HIS H . . 5.130 4.648 4.361 5.056 . 0 0 "[ . 1 . 2]" 1
1594 1 82 PHE QE 1 91 HIS HB2 . . 3.790 2.323 1.994 2.807 . 0 0 "[ . 1 . 2]" 1
1595 1 82 PHE QE 1 91 HIS HB3 . . 4.020 2.747 2.524 3.056 . 0 0 "[ . 1 . 2]" 1
1596 1 82 PHE HZ 1 88 LEU HA . . 4.010 3.726 3.593 3.842 . 0 0 "[ . 1 . 2]" 1
1597 1 82 PHE HZ 1 91 HIS HB2 . . 4.670 3.975 3.237 4.647 . 0 0 "[ . 1 . 2]" 1
1598 1 82 PHE HZ 1 91 HIS HD2 . . 3.990 2.370 2.014 2.655 . 0 0 "[ . 1 . 2]" 1
1599 1 83 ASP H 1 83 ASP QB . . 3.300 2.279 2.083 2.637 . 0 0 "[ . 1 . 2]" 1
1600 1 83 ASP H 1 84 SER H . . 3.600 2.154 1.989 2.337 . 0 0 "[ . 1 . 2]" 1
1601 1 83 ASP QB 1 84 SER H . . 3.860 2.692 2.458 3.532 . 0 0 "[ . 1 . 2]" 1
1602 1 83 ASP QB 1 84 SER HB2 . . 4.560 4.415 3.470 5.149 0.589 16 1 "[ . 1 .+ 2]" 1
1603 1 84 SER H 1 85 LEU H . . 5.080 4.462 4.432 4.486 . 0 0 "[ . 1 . 2]" 1
1604 1 84 SER H 1 85 LEU HA . . 5.500 5.038 4.956 5.127 . 0 0 "[ . 1 . 2]" 1
1605 1 84 SER H 1 87 ASP H . . 5.210 3.574 3.472 3.755 . 0 0 "[ . 1 . 2]" 1
1606 1 84 SER H 1 87 ASP HA . . 5.410 5.417 5.388 5.434 0.024 9 0 "[ . 1 . 2]" 1
1607 1 84 SER H 1 87 ASP HB2 . . 3.470 2.578 2.450 2.943 . 0 0 "[ . 1 . 2]" 1
1608 1 84 SER H 1 87 ASP HB3 . . 4.020 3.565 3.184 3.796 . 0 0 "[ . 1 . 2]" 1
1609 1 84 SER H 1 88 LEU H . . 4.880 4.623 4.407 4.805 . 0 0 "[ . 1 . 2]" 1
1610 1 84 SER H 1 88 LEU HB2 . . 5.500 4.937 4.813 5.137 . 0 0 "[ . 1 . 2]" 1
1611 1 84 SER HA 1 85 LEU H . . 3.390 2.357 2.280 2.481 . 0 0 "[ . 1 . 2]" 1
1612 1 84 SER HB2 1 85 LEU H . . 3.950 3.534 2.738 3.957 0.007 9 0 "[ . 1 . 2]" 1
1613 1 84 SER HB2 1 87 ASP H . . 4.870 2.908 2.282 4.335 . 0 0 "[ . 1 . 2]" 1
1614 1 84 SER HB3 1 85 LEU H . . 3.670 3.305 2.749 3.952 0.282 13 0 "[ . 1 . 2]" 1
1615 1 84 SER HB3 1 86 THR H . . 4.050 3.237 2.625 4.227 0.177 15 0 "[ . 1 . 2]" 1
1616 1 85 LEU H 1 85 LEU HB2 . . 3.580 2.055 2.022 2.106 . 0 0 "[ . 1 . 2]" 1
1617 1 85 LEU H 1 85 LEU HB3 . . 3.660 3.370 3.331 3.419 . 0 0 "[ . 1 . 2]" 1
1618 1 85 LEU H 1 85 LEU MD1 . . 4.480 4.122 4.031 4.204 . 0 0 "[ . 1 . 2]" 1
1619 1 85 LEU H 1 85 LEU MD2 . . 4.410 2.336 2.180 2.516 . 0 0 "[ . 1 . 2]" 1
1620 1 85 LEU H 1 85 LEU HG . . 3.970 3.902 3.809 3.972 0.002 15 0 "[ . 1 . 2]" 1
1621 1 85 LEU H 1 86 THR H . . 3.750 2.691 2.545 2.791 . 0 0 "[ . 1 . 2]" 1
1622 1 85 LEU H 1 88 LEU H . . 5.010 4.825 4.735 4.961 . 0 0 "[ . 1 . 2]" 1
1623 1 85 LEU H 1 88 LEU HB3 . . 5.370 4.959 4.700 5.274 . 0 0 "[ . 1 . 2]" 1
1624 1 85 LEU HA 1 85 LEU MD1 . . 3.410 2.260 2.040 2.406 . 0 0 "[ . 1 . 2]" 1
1625 1 85 LEU HA 1 85 LEU MD2 . . 3.450 2.094 1.973 2.351 . 0 0 "[ . 1 . 2]" 1
1626 1 85 LEU HA 1 85 LEU HG . . 3.730 3.627 3.606 3.649 . 0 0 "[ . 1 . 2]" 1
1627 1 85 LEU HA 1 88 LEU H . . 4.030 3.247 3.084 3.375 . 0 0 "[ . 1 . 2]" 1
1628 1 85 LEU HA 1 88 LEU HB2 . . 3.920 3.079 2.848 3.370 . 0 0 "[ . 1 . 2]" 1
1629 1 85 LEU HA 1 88 LEU HB3 . . 3.550 2.327 2.106 2.630 . 0 0 "[ . 1 . 2]" 1
1630 1 85 LEU HA 1 88 LEU MD1 . . 4.340 3.278 3.006 3.491 . 0 0 "[ . 1 . 2]" 1
1631 1 85 LEU HA 1 88 LEU MD2 . . 4.220 3.731 3.306 4.147 . 0 0 "[ . 1 . 2]" 1
1632 1 85 LEU HA 1 89 VAL H . . 4.510 3.867 3.639 4.124 . 0 0 "[ . 1 . 2]" 1
1633 1 85 LEU HA 1 89 VAL MG2 . . 4.700 4.162 3.835 4.634 . 0 0 "[ . 1 . 2]" 1
1634 1 85 LEU HB2 1 85 LEU MD1 . . 3.560 3.194 3.177 3.211 . 0 0 "[ . 1 . 2]" 1
1635 1 85 LEU HB2 1 86 THR H . . 4.150 3.232 3.104 3.327 . 0 0 "[ . 1 . 2]" 1
1636 1 85 LEU HB3 1 85 LEU MD1 . . 3.550 2.287 2.188 2.385 . 0 0 "[ . 1 . 2]" 1
1637 1 85 LEU HB3 1 85 LEU MD2 . . 3.360 3.201 3.192 3.210 . 0 0 "[ . 1 . 2]" 1
1638 1 85 LEU HB3 1 86 THR H . . 3.950 3.514 3.221 3.711 . 0 0 "[ . 1 . 2]" 1
1639 1 85 LEU MD1 1 89 VAL MG2 . . 3.710 2.809 2.611 3.153 . 0 0 "[ . 1 . 2]" 1
1640 1 85 LEU MD2 1 86 THR H . . 5.460 4.325 4.254 4.409 . 0 0 "[ . 1 . 2]" 1
1641 1 85 LEU MD2 1 88 LEU HB3 . . 4.480 3.825 3.659 4.091 . 0 0 "[ . 1 . 2]" 1
1642 1 85 LEU MD2 1 88 LEU MD1 . . 4.030 3.117 2.718 3.538 . 0 0 "[ . 1 . 2]" 1
1643 1 85 LEU HG 1 86 THR H . . 5.500 5.424 5.265 5.505 0.005 12 0 "[ . 1 . 2]" 1
1644 1 86 THR H 1 86 THR HB . . 3.230 2.301 2.131 2.504 . 0 0 "[ . 1 . 2]" 1
1645 1 86 THR H 1 86 THR MG . . 3.980 3.661 3.621 3.677 . 0 0 "[ . 1 . 2]" 1
1646 1 86 THR H 1 87 ASP H . . 4.310 2.745 2.631 2.832 . 0 0 "[ . 1 . 2]" 1
1647 1 86 THR H 1 87 ASP HB2 . . 5.480 4.531 4.407 4.630 . 0 0 "[ . 1 . 2]" 1
1648 1 86 THR H 1 88 LEU H . . 5.360 3.703 3.628 3.853 . 0 0 "[ . 1 . 2]" 1
1649 1 86 THR H 1 88 LEU HB3 . . 5.500 4.851 4.608 5.038 . 0 0 "[ . 1 . 2]" 1
1650 1 86 THR HA 1 86 THR MG . . 3.320 2.456 2.262 2.615 . 0 0 "[ . 1 . 2]" 1
1651 1 86 THR HA 1 88 LEU H . . 5.220 3.716 3.587 3.844 . 0 0 "[ . 1 . 2]" 1
1652 1 86 THR HA 1 89 VAL H . . 4.290 3.258 3.134 3.368 . 0 0 "[ . 1 . 2]" 1
1653 1 86 THR HA 1 89 VAL HB . . 3.600 2.731 2.465 2.904 . 0 0 "[ . 1 . 2]" 1
1654 1 86 THR HA 1 89 VAL MG2 . . 3.980 3.833 3.550 3.987 0.007 14 0 "[ . 1 . 2]" 1
1655 1 86 THR HA 1 90 GLU H . . 4.920 3.424 3.253 3.615 . 0 0 "[ . 1 . 2]" 1
1656 1 86 THR HB 1 87 ASP H . . 3.520 2.601 2.423 2.785 . 0 0 "[ . 1 . 2]" 1
1657 1 86 THR HB 1 88 LEU H . . 5.370 4.622 4.512 4.773 . 0 0 "[ . 1 . 2]" 1
1658 1 86 THR MG 1 87 ASP H . . 3.980 3.367 3.063 3.695 . 0 0 "[ . 1 . 2]" 1
1659 1 86 THR MG 1 87 ASP HA . . 4.000 3.509 3.164 3.893 . 0 0 "[ . 1 . 2]" 1
1660 1 86 THR MG 1 90 GLU H . . 4.930 3.782 3.479 4.015 . 0 0 "[ . 1 . 2]" 1
1661 1 86 THR MG 1 90 GLU QB . . 3.770 3.263 2.871 3.519 . 0 0 "[ . 1 . 2]" 1
1662 1 86 THR MG 1 90 GLU HG2 . . 3.830 3.354 2.109 3.789 . 0 0 "[ . 1 . 2]" 1
1663 1 86 THR MG 1 90 GLU HG3 . . 3.880 2.183 1.960 2.514 . 0 0 "[ . 1 . 2]" 1
1664 1 87 ASP H 1 87 ASP HB2 . . 3.690 2.034 2.003 2.089 . 0 0 "[ . 1 . 2]" 1
1665 1 87 ASP H 1 87 ASP HB3 . . 3.800 3.267 2.942 3.399 . 0 0 "[ . 1 . 2]" 1
1666 1 87 ASP H 1 88 LEU H . . 3.670 2.585 2.479 2.665 . 0 0 "[ . 1 . 2]" 1
1667 1 87 ASP H 1 88 LEU HB2 . . 5.500 4.791 4.552 5.007 . 0 0 "[ . 1 . 2]" 1
1668 1 87 ASP HA 1 90 GLU H . . 4.030 3.733 3.534 4.028 . 0 0 "[ . 1 . 2]" 1
1669 1 87 ASP HA 1 90 GLU QB . . 3.430 2.621 2.414 2.881 . 0 0 "[ . 1 . 2]" 1
1670 1 87 ASP HA 1 90 GLU HG3 . . 4.350 4.129 3.552 4.351 0.001 12 0 "[ . 1 . 2]" 1
1671 1 87 ASP HB2 1 88 LEU H . . 3.860 3.480 3.203 3.846 . 0 0 "[ . 1 . 2]" 1
1672 1 87 ASP HB3 1 88 LEU H . . 4.070 3.571 3.312 3.761 . 0 0 "[ . 1 . 2]" 1
1673 1 88 LEU H 1 88 LEU HB2 . . 3.480 2.698 2.559 2.897 . 0 0 "[ . 1 . 2]" 1
1674 1 88 LEU H 1 88 LEU HB3 . . 3.420 2.402 2.242 2.542 . 0 0 "[ . 1 . 2]" 1
1675 1 88 LEU H 1 88 LEU MD1 . . 4.310 4.290 4.233 4.339 0.029 8 0 "[ . 1 . 2]" 1
1676 1 88 LEU H 1 88 LEU MD2 . . 4.440 3.903 3.598 4.115 . 0 0 "[ . 1 . 2]" 1
1677 1 88 LEU H 1 88 LEU HG . . 4.490 4.493 4.455 4.525 0.035 2 0 "[ . 1 . 2]" 1
1678 1 88 LEU H 1 89 VAL H . . 3.660 2.375 2.299 2.457 . 0 0 "[ . 1 . 2]" 1
1679 1 88 LEU H 1 89 VAL MG2 . . 4.850 4.386 4.112 4.626 . 0 0 "[ . 1 . 2]" 1
1680 1 88 LEU H 1 90 GLU H . . 5.150 3.604 3.428 3.911 . 0 0 "[ . 1 . 2]" 1
1681 1 88 LEU H 1 91 HIS HB3 . . 5.440 4.794 4.520 5.294 . 0 0 "[ . 1 . 2]" 1
1682 1 88 LEU HA 1 88 LEU MD1 . . 3.850 3.632 3.530 3.753 . 0 0 "[ . 1 . 2]" 1
1683 1 88 LEU HA 1 88 LEU MD2 . . 3.970 3.294 3.161 3.426 . 0 0 "[ . 1 . 2]" 1
1684 1 88 LEU HA 1 88 LEU HG . . 3.350 2.496 2.357 2.686 . 0 0 "[ . 1 . 2]" 1
1685 1 88 LEU HA 1 91 HIS H . . 4.490 3.507 3.356 3.635 . 0 0 "[ . 1 . 2]" 1
1686 1 88 LEU HA 1 91 HIS HB2 . . 4.130 3.434 3.183 3.587 . 0 0 "[ . 1 . 2]" 1
1687 1 88 LEU HA 1 91 HIS HB3 . . 4.050 2.518 2.299 2.938 . 0 0 "[ . 1 . 2]" 1
1688 1 88 LEU HA 1 92 PHE H . . 5.040 4.292 4.022 4.598 . 0 0 "[ . 1 . 2]" 1
1689 1 88 LEU HB2 1 88 LEU MD1 . . 3.160 2.127 1.997 2.290 . 0 0 "[ . 1 . 2]" 1
1690 1 88 LEU HB2 1 88 LEU MD2 . . 3.280 3.175 3.138 3.198 . 0 0 "[ . 1 . 2]" 1
1691 1 88 LEU HB2 1 89 VAL H . . 4.180 3.872 3.671 4.052 . 0 0 "[ . 1 . 2]" 1
1692 1 88 LEU HB3 1 88 LEU MD1 . . 3.410 2.593 2.444 2.716 . 0 0 "[ . 1 . 2]" 1
1693 1 88 LEU HB3 1 88 LEU MD2 . . 3.220 2.180 2.062 2.257 . 0 0 "[ . 1 . 2]" 1
1694 1 88 LEU HB3 1 89 VAL H . . 3.990 2.538 2.319 2.719 . 0 0 "[ . 1 . 2]" 1
1695 1 88 LEU HB3 1 89 VAL MG2 . . 3.960 3.473 3.167 3.754 . 0 0 "[ . 1 . 2]" 1
1696 1 88 LEU MD1 1 89 VAL H . . 4.710 4.622 4.505 4.708 . 0 0 "[ . 1 . 2]" 1
1697 1 88 LEU MD2 1 89 VAL H . . 3.760 2.842 2.493 3.143 . 0 0 "[ . 1 . 2]" 1
1698 1 88 LEU MD2 1 89 VAL HA . . 3.230 2.711 2.416 2.888 . 0 0 "[ . 1 . 2]" 1
1699 1 88 LEU MD2 1 89 VAL MG1 . . 4.550 4.302 4.003 4.531 . 0 0 "[ . 1 . 2]" 1
1700 1 88 LEU MD2 1 89 VAL MG2 . . 3.240 2.373 2.068 2.698 . 0 0 "[ . 1 . 2]" 1
1701 1 88 LEU MD2 1 92 PHE H . . 5.080 3.881 3.642 4.070 . 0 0 "[ . 1 . 2]" 1
1702 1 88 LEU MD2 1 92 PHE HB2 . . 4.080 3.532 3.172 3.936 . 0 0 "[ . 1 . 2]" 1
1703 1 88 LEU MD2 1 92 PHE QD . . 3.200 2.121 1.993 2.374 . 0 0 "[ . 1 . 2]" 1
1704 1 88 LEU MD2 1 92 PHE QE . . 3.750 2.809 2.019 3.353 . 0 0 "[ . 1 . 2]" 1
1705 1 88 LEU HG 1 89 VAL MG2 . . 5.040 4.875 4.504 5.055 0.015 1 0 "[ . 1 . 2]" 1
1706 1 88 LEU HG 1 92 PHE QD . . 3.590 2.949 2.404 3.456 . 0 0 "[ . 1 . 2]" 1
1707 1 88 LEU HG 1 92 PHE QE . . 3.770 2.305 2.000 2.687 . 0 0 "[ . 1 . 2]" 1
1708 1 89 VAL H 1 89 VAL HB . . 3.300 2.174 2.096 2.295 . 0 0 "[ . 1 . 2]" 1
1709 1 89 VAL H 1 89 VAL MG1 . . 4.100 3.613 3.555 3.677 . 0 0 "[ . 1 . 2]" 1
1710 1 89 VAL H 1 89 VAL MG2 . . 3.230 2.560 2.324 2.774 . 0 0 "[ . 1 . 2]" 1
1711 1 89 VAL H 1 90 GLU H . . 3.810 2.613 2.520 2.761 . 0 0 "[ . 1 . 2]" 1
1712 1 89 VAL H 1 90 GLU HG3 . . 5.480 4.916 4.501 5.757 0.277 17 0 "[ . 1 . 2]" 1
1713 1 89 VAL H 1 91 HIS H . . 5.020 3.762 3.676 3.842 . 0 0 "[ . 1 . 2]" 1
1714 1 89 VAL HA 1 89 VAL MG1 . . 3.260 2.630 2.556 2.694 . 0 0 "[ . 1 . 2]" 1
1715 1 89 VAL HA 1 89 VAL MG2 . . 2.970 2.193 2.058 2.322 . 0 0 "[ . 1 . 2]" 1
1716 1 89 VAL HA 1 92 PHE H . . 3.640 3.370 3.289 3.461 . 0 0 "[ . 1 . 2]" 1
1717 1 89 VAL HA 1 92 PHE HB2 . . 4.140 3.139 2.932 3.345 . 0 0 "[ . 1 . 2]" 1
1718 1 89 VAL HA 1 92 PHE QD . . 4.540 3.468 2.905 3.754 . 0 0 "[ . 1 . 2]" 1
1719 1 89 VAL HB 1 90 GLU H . . 3.690 2.781 2.494 2.916 . 0 0 "[ . 1 . 2]" 1
1720 1 89 VAL HB 1 91 HIS H . . 5.140 4.730 4.551 4.834 . 0 0 "[ . 1 . 2]" 1
1721 1 89 VAL MG1 1 90 GLU H . . 4.070 3.103 2.784 3.406 . 0 0 "[ . 1 . 2]" 1
1722 1 89 VAL MG1 1 90 GLU HA . . 4.010 3.085 2.911 3.296 . 0 0 "[ . 1 . 2]" 1
1723 1 89 VAL MG1 1 91 HIS H . . 5.480 4.358 4.266 4.493 . 0 0 "[ . 1 . 2]" 1
1724 1 89 VAL MG1 1 92 PHE H . . 4.800 4.772 4.639 4.835 0.035 13 0 "[ . 1 . 2]" 1
1725 1 89 VAL MG1 1 93 LYS H . . 4.360 4.131 4.006 4.253 . 0 0 "[ . 1 . 2]" 1
1726 1 89 VAL MG1 1 93 LYS HB2 . . 4.630 3.459 3.259 3.619 . 0 0 "[ . 1 . 2]" 1
1727 1 89 VAL MG1 1 93 LYS HB3 . . 4.830 4.308 4.162 4.484 . 0 0 "[ . 1 . 2]" 1
1728 1 89 VAL MG1 1 93 LYS HD2 . . 2.920 2.104 1.912 2.469 . 0 0 "[ . 1 . 2]" 1
1729 1 89 VAL MG1 1 93 LYS HD3 . . 3.840 2.253 1.996 2.804 . 0 0 "[ . 1 . 2]" 1
1730 1 89 VAL MG1 1 93 LYS HE2 . . 4.650 4.150 3.848 4.361 . 0 0 "[ . 1 . 2]" 1
1731 1 89 VAL MG1 1 93 LYS HE3 . . 4.380 4.280 4.119 4.445 0.065 1 0 "[ . 1 . 2]" 1
1732 1 89 VAL MG1 1 93 LYS HG2 . . 3.860 3.331 3.173 3.482 . 0 0 "[ . 1 . 2]" 1
1733 1 89 VAL MG1 1 93 LYS HG3 . . 3.680 2.153 1.925 2.350 . 0 0 "[ . 1 . 2]" 1
1734 1 89 VAL MG2 1 90 GLU H . . 4.360 4.098 3.923 4.194 . 0 0 "[ . 1 . 2]" 1
1735 1 90 GLU H 1 90 GLU QB . . 3.360 2.288 2.168 2.408 . 0 0 "[ . 1 . 2]" 1
1736 1 90 GLU H 1 90 GLU HG2 . . 3.570 3.056 2.203 3.533 . 0 0 "[ . 1 . 2]" 1
1737 1 90 GLU H 1 90 GLU HG3 . . 3.570 2.823 2.291 3.560 . 0 0 "[ . 1 . 2]" 1
1738 1 90 GLU H 1 91 HIS H . . 3.680 2.618 2.553 2.740 . 0 0 "[ . 1 . 2]" 1
1739 1 90 GLU H 1 92 PHE H . . 5.450 4.598 4.379 4.840 . 0 0 "[ . 1 . 2]" 1
1740 1 90 GLU HA 1 90 GLU HG2 . . 3.880 2.302 2.108 2.891 . 0 0 "[ . 1 . 2]" 1
1741 1 90 GLU HA 1 90 GLU HG3 . . 3.950 3.347 3.035 3.739 . 0 0 "[ . 1 . 2]" 1
1742 1 90 GLU HA 1 93 LYS H . . 4.160 3.424 3.338 3.514 . 0 0 "[ . 1 . 2]" 1
1743 1 90 GLU HA 1 93 LYS HB2 . . 3.140 2.050 1.979 2.168 . 0 0 "[ . 1 . 2]" 1
1744 1 90 GLU HA 1 93 LYS HB3 . . 3.980 3.336 3.224 3.487 . 0 0 "[ . 1 . 2]" 1
1745 1 90 GLU HA 1 93 LYS HD2 . . 3.810 3.739 3.443 3.819 0.009 19 0 "[ . 1 . 2]" 1
1746 1 90 GLU HA 1 93 LYS HD3 . . 3.210 2.092 2.003 2.179 . 0 0 "[ . 1 . 2]" 1
1747 1 90 GLU HA 1 93 LYS HG2 . . 4.530 4.437 4.291 4.532 0.002 19 0 "[ . 1 . 2]" 1
1748 1 90 GLU HA 1 93 LYS HG3 . . 4.240 3.559 3.343 3.692 . 0 0 "[ . 1 . 2]" 1
1749 1 90 GLU HA 1 94 LYS H . . 5.490 5.282 5.091 5.408 . 0 0 "[ . 1 . 2]" 1
1750 1 90 GLU QB 1 91 HIS H . . 3.760 3.281 3.126 3.373 . 0 0 "[ . 1 . 2]" 1
1751 1 90 GLU QB 1 93 LYS H . . 5.400 4.863 4.779 4.945 . 0 0 "[ . 1 . 2]" 1
1752 1 91 HIS H 1 91 HIS HB2 . . 3.360 2.921 2.651 3.064 . 0 0 "[ . 1 . 2]" 1
1753 1 91 HIS H 1 91 HIS HB3 . . 3.370 2.251 2.182 2.412 . 0 0 "[ . 1 . 2]" 1
1754 1 91 HIS H 1 91 HIS HD2 . . 5.200 4.610 4.400 5.010 . 0 0 "[ . 1 . 2]" 1
1755 1 91 HIS H 1 92 PHE H . . 3.600 2.423 2.297 2.634 . 0 0 "[ . 1 . 2]" 1
1756 1 91 HIS H 1 92 PHE HB2 . . 4.600 4.323 4.157 4.522 . 0 0 "[ . 1 . 2]" 1
1757 1 91 HIS H 1 93 LYS H . . 4.890 3.252 3.177 3.341 . 0 0 "[ . 1 . 2]" 1
1758 1 91 HIS H 1 94 LYS H . . 5.500 5.306 5.158 5.394 . 0 0 "[ . 1 . 2]" 1
1759 1 91 HIS HA 1 94 LYS QD . . 4.080 4.082 3.895 4.216 0.136 9 0 "[ . 1 . 2]" 1
1760 1 91 HIS HA 1 94 LYS HE2 . . 4.050 3.018 1.973 4.338 0.288 8 0 "[ . 1 . 2]" 1
1761 1 91 HIS HA 1 95 THR MG . . 4.380 4.031 3.898 4.189 . 0 0 "[ . 1 . 2]" 1
1762 1 91 HIS HB2 1 92 PHE H . . 4.040 3.967 3.790 4.059 0.019 2 0 "[ . 1 . 2]" 1
1763 1 91 HIS HB3 1 92 PHE H . . 3.600 2.588 2.378 2.722 . 0 0 "[ . 1 . 2]" 1
1764 1 91 HIS HB3 1 93 LYS H . . 5.500 4.555 4.438 4.651 . 0 0 "[ . 1 . 2]" 1
1765 1 91 HIS HD2 1 92 PHE H . . 4.510 3.182 2.785 3.725 . 0 0 "[ . 1 . 2]" 1
1766 1 91 HIS HD2 1 92 PHE QD . . 4.100 2.872 2.621 3.542 . 0 0 "[ . 1 . 2]" 1
1767 1 91 HIS HD2 1 92 PHE QE . . 4.400 3.023 2.752 3.371 . 0 0 "[ . 1 . 2]" 1
1768 1 91 HIS HE1 1 95 THR MG . . 3.520 3.529 3.456 3.557 0.037 16 0 "[ . 1 . 2]" 1
1769 1 92 PHE H 1 92 PHE HB2 . . 3.500 2.187 2.106 2.332 . 0 0 "[ . 1 . 2]" 1
1770 1 92 PHE H 1 92 PHE QD . . 3.850 2.508 2.381 2.659 . 0 0 "[ . 1 . 2]" 1
1771 1 92 PHE H 1 93 LYS H . . 3.640 2.505 2.425 2.606 . 0 0 "[ . 1 . 2]" 1
1772 1 92 PHE H 1 94 LYS H . . 4.970 4.285 4.219 4.347 . 0 0 "[ . 1 . 2]" 1
1773 1 92 PHE H 1 95 THR H . . 5.450 5.285 5.197 5.328 . 0 0 "[ . 1 . 2]" 1
1774 1 92 PHE H 1 95 THR MG . . 5.040 4.903 4.768 5.132 0.092 11 0 "[ . 1 . 2]" 1
1775 1 92 PHE H 1 96 GLY H . . 5.500 5.046 4.791 5.337 . 0 0 "[ . 1 . 2]" 1
1776 1 92 PHE H 1 107 LEU MD1 . . 4.660 4.404 4.253 4.635 . 0 0 "[ . 1 . 2]" 1
1777 1 92 PHE HA 1 92 PHE QD . . 3.200 2.778 2.753 2.795 . 0 0 "[ . 1 . 2]" 1
1778 1 92 PHE HA 1 94 LYS H . . 4.550 3.193 3.125 3.335 . 0 0 "[ . 1 . 2]" 1
1779 1 92 PHE HA 1 95 THR H . . 3.810 3.225 3.195 3.273 . 0 0 "[ . 1 . 2]" 1
1780 1 92 PHE HA 1 95 THR HB . . 4.590 4.263 4.157 4.286 . 0 0 "[ . 1 . 2]" 1
1781 1 92 PHE HA 1 95 THR MG . . 4.240 3.316 3.123 3.649 . 0 0 "[ . 1 . 2]" 1
1782 1 92 PHE HA 1 96 GLY H . . 3.830 2.422 2.049 2.892 . 0 0 "[ . 1 . 2]" 1
1783 1 92 PHE HB2 1 93 LYS H . . 4.370 3.349 3.318 3.383 . 0 0 "[ . 1 . 2]" 1
1784 1 92 PHE HB2 1 96 GLY H . . 5.500 4.680 4.405 5.039 . 0 0 "[ . 1 . 2]" 1
1785 1 92 PHE HB2 1 97 ILE MD . . 4.000 3.261 2.900 3.611 . 0 0 "[ . 1 . 2]" 1
1786 1 92 PHE HB2 1 97 ILE HG12 . . 4.860 4.783 4.538 4.888 0.028 3 0 "[ . 1 . 2]" 1
1787 1 92 PHE HB2 1 97 ILE HG13 . . 4.170 3.994 3.681 4.159 . 0 0 "[ . 1 . 2]" 1
1788 1 92 PHE HB2 1 107 LEU MD1 . . 3.440 2.896 2.608 3.076 . 0 0 "[ . 1 . 2]" 1
1789 1 92 PHE HB2 1 107 LEU MD2 . . 4.040 3.198 2.953 3.364 . 0 0 "[ . 1 . 2]" 1
1790 1 92 PHE HB3 1 93 LYS H . . 4.530 4.113 4.039 4.225 . 0 0 "[ . 1 . 2]" 1
1791 1 92 PHE HB3 1 95 THR H . . 5.500 5.530 5.507 5.563 0.063 14 0 "[ . 1 . 2]" 1
1792 1 92 PHE HB3 1 96 GLY H . . 5.120 3.493 3.211 3.909 . 0 0 "[ . 1 . 2]" 1
1793 1 92 PHE HB3 1 97 ILE MD . . 3.810 2.536 2.171 2.729 . 0 0 "[ . 1 . 2]" 1
1794 1 92 PHE HB3 1 97 ILE HG12 . . 4.520 3.717 3.542 3.890 . 0 0 "[ . 1 . 2]" 1
1795 1 92 PHE HB3 1 97 ILE HG13 . . 3.930 2.484 2.265 2.632 . 0 0 "[ . 1 . 2]" 1
1796 1 92 PHE HB3 1 107 LEU MD1 . . 3.370 2.382 2.266 2.610 . 0 0 "[ . 1 . 2]" 1
1797 1 92 PHE QD 1 93 LYS H . . 5.500 4.604 4.452 4.702 . 0 0 "[ . 1 . 2]" 1
1798 1 92 PHE QD 1 95 THR HB . . 4.640 4.672 4.638 4.700 0.060 4 0 "[ . 1 . 2]" 1
1799 1 92 PHE QD 1 95 THR MG . . 4.680 4.670 4.544 4.801 0.121 14 0 "[ . 1 . 2]" 1
1800 1 92 PHE QD 1 96 GLY H . . 4.860 3.595 3.013 4.152 . 0 0 "[ . 1 . 2]" 1
1801 1 92 PHE QD 1 97 ILE MD . . 3.750 3.599 3.269 3.760 0.010 6 0 "[ . 1 . 2]" 1
1802 1 92 PHE QD 1 97 ILE HG12 . . 4.040 3.286 3.160 3.433 . 0 0 "[ . 1 . 2]" 1
1803 1 92 PHE QD 1 97 ILE HG13 . . 3.640 2.439 2.115 2.647 . 0 0 "[ . 1 . 2]" 1
1804 1 92 PHE QD 1 97 ILE MG . . 4.720 4.490 4.371 4.598 . 0 0 "[ . 1 . 2]" 1
1805 1 92 PHE QD 1 107 LEU MD1 . . 4.330 4.074 3.989 4.228 . 0 0 "[ . 1 . 2]" 1
1806 1 92 PHE QD 1 107 LEU MD2 . . 4.700 4.564 4.247 4.712 0.012 1 0 "[ . 1 . 2]" 1
1807 1 93 LYS H 1 93 LYS HB2 . . 3.330 2.045 2.029 2.067 . 0 0 "[ . 1 . 2]" 1
1808 1 93 LYS H 1 93 LYS HB3 . . 3.420 3.330 3.296 3.364 . 0 0 "[ . 1 . 2]" 1
1809 1 93 LYS H 1 93 LYS HD3 . . 4.570 4.244 4.130 4.388 . 0 0 "[ . 1 . 2]" 1
1810 1 93 LYS H 1 93 LYS HG2 . . 4.190 4.150 4.084 4.198 0.008 12 0 "[ . 1 . 2]" 1
1811 1 93 LYS H 1 93 LYS HG3 . . 3.550 3.221 3.142 3.305 . 0 0 "[ . 1 . 2]" 1
1812 1 93 LYS H 1 94 LYS H . . 3.640 2.603 2.546 2.637 . 0 0 "[ . 1 . 2]" 1
1813 1 93 LYS H 1 95 THR H . . 4.980 4.519 4.415 4.574 . 0 0 "[ . 1 . 2]" 1
1814 1 93 LYS H 1 95 THR MG . . 5.420 5.021 4.907 5.245 . 0 0 "[ . 1 . 2]" 1
1815 1 93 LYS H 1 107 LEU HB2 . . 4.950 4.622 4.440 4.790 . 0 0 "[ . 1 . 2]" 1
1816 1 93 LYS H 1 107 LEU MD1 . . 4.130 3.723 3.568 3.997 . 0 0 "[ . 1 . 2]" 1
1817 1 93 LYS HA 1 93 LYS HG2 . . 3.440 2.324 2.240 2.401 . 0 0 "[ . 1 . 2]" 1
1818 1 93 LYS HA 1 93 LYS HG3 . . 3.460 2.519 2.432 2.621 . 0 0 "[ . 1 . 2]" 1
1819 1 93 LYS HA 1 107 LEU H . . 4.160 2.990 2.745 3.264 . 0 0 "[ . 1 . 2]" 1
1820 1 93 LYS HA 1 107 LEU HB2 . . 3.290 2.162 2.009 2.240 . 0 0 "[ . 1 . 2]" 1
1821 1 93 LYS HA 1 107 LEU HB3 . . 3.930 3.892 3.737 3.947 0.017 14 0 "[ . 1 . 2]" 1
1822 1 93 LYS HA 1 107 LEU MD1 . . 3.900 2.076 1.967 2.389 . 0 0 "[ . 1 . 2]" 1
1823 1 93 LYS HA 1 107 LEU MD2 . . 3.530 3.539 3.445 3.564 0.034 3 0 "[ . 1 . 2]" 1
1824 1 93 LYS HA 1 107 LEU HG . . 4.660 4.568 4.467 4.671 0.011 17 0 "[ . 1 . 2]" 1
1825 1 93 LYS HB2 1 93 LYS HE3 . . 3.870 3.609 3.367 4.096 0.226 2 0 "[ . 1 . 2]" 1
1826 1 93 LYS HB3 1 93 LYS HE2 . . 3.680 2.820 2.109 3.378 . 0 0 "[ . 1 . 2]" 1
1827 1 93 LYS HB3 1 93 LYS HE3 . . 3.420 2.398 2.030 3.046 . 0 0 "[ . 1 . 2]" 1
1828 1 93 LYS HE2 1 93 LYS HG2 . . 3.910 3.503 3.074 3.645 . 0 0 "[ . 1 . 2]" 1
1829 1 93 LYS HE3 1 93 LYS HG2 . . 4.080 2.340 2.143 2.453 . 0 0 "[ . 1 . 2]" 1
1830 1 93 LYS HG2 1 107 LEU HB3 . . 4.270 3.117 2.796 3.375 . 0 0 "[ . 1 . 2]" 1
1831 1 93 LYS HG2 1 107 LEU MD1 . . 4.020 3.602 3.456 3.804 . 0 0 "[ . 1 . 2]" 1
1832 1 93 LYS HG2 1 107 LEU MD2 . . 4.170 3.488 3.306 3.627 . 0 0 "[ . 1 . 2]" 1
1833 1 93 LYS HG3 1 107 LEU H . . 5.270 4.913 4.628 5.244 . 0 0 "[ . 1 . 2]" 1
1834 1 93 LYS HG3 1 107 LEU HB2 . . 4.190 2.644 2.390 2.960 . 0 0 "[ . 1 . 2]" 1
1835 1 93 LYS HG3 1 107 LEU HB3 . . 4.350 3.580 3.328 3.932 . 0 0 "[ . 1 . 2]" 1
1836 1 93 LYS HG3 1 107 LEU MD1 . . 3.950 3.462 3.283 3.728 . 0 0 "[ . 1 . 2]" 1
1837 1 93 LYS HG3 1 107 LEU MD2 . . 4.290 2.824 2.611 3.030 . 0 0 "[ . 1 . 2]" 1
1838 1 94 LYS H 1 94 LYS HB2 . . 3.350 3.449 3.394 3.513 0.163 16 0 "[ . 1 . 2]" 1
1839 1 94 LYS H 1 94 LYS QD . . 4.400 3.964 3.896 4.064 . 0 0 "[ . 1 . 2]" 1
1840 1 94 LYS H 1 94 LYS HE2 . . 5.420 4.472 3.732 5.410 . 0 0 "[ . 1 . 2]" 1
1841 1 94 LYS H 1 94 LYS HG2 . . 4.270 2.343 1.978 2.625 . 0 0 "[ . 1 . 2]" 1
1842 1 94 LYS H 1 94 LYS HG3 . . 3.690 2.056 1.910 2.321 . 0 0 "[ . 1 . 2]" 1
1843 1 94 LYS H 1 95 THR H . . 3.350 2.292 2.220 2.319 . 0 0 "[ . 1 . 2]" 1
1844 1 94 LYS H 1 95 THR MG . . 4.210 3.633 3.533 3.809 . 0 0 "[ . 1 . 2]" 1
1845 1 94 LYS H 1 96 GLY H . . 4.740 3.208 2.864 3.669 . 0 0 "[ . 1 . 2]" 1
1846 1 94 LYS HA 1 94 LYS HB2 . . 2.950 2.756 2.699 2.799 . 0 0 "[ . 1 . 2]" 1
1847 1 94 LYS HA 1 94 LYS QD . . 4.320 4.224 4.148 4.280 . 0 0 "[ . 1 . 2]" 1
1848 1 94 LYS HA 1 94 LYS HG2 . . 3.520 3.394 3.298 3.491 . 0 0 "[ . 1 . 2]" 1
1849 1 94 LYS HA 1 94 LYS HG3 . . 3.760 3.709 3.625 3.820 0.060 16 0 "[ . 1 . 2]" 1
1850 1 94 LYS HB2 1 94 LYS QD . . 2.960 2.383 2.223 2.599 . 0 0 "[ . 1 . 2]" 1
1851 1 94 LYS HB2 1 95 THR H . . 3.620 2.760 2.666 2.895 . 0 0 "[ . 1 . 2]" 1
1852 1 94 LYS HB2 1 95 THR HA . . 4.410 3.933 3.888 3.998 . 0 0 "[ . 1 . 2]" 1
1853 1 94 LYS HB2 1 95 THR MG . . 3.370 3.167 3.075 3.273 . 0 0 "[ . 1 . 2]" 1
1854 1 94 LYS HB2 1 96 GLY H . . 5.500 5.159 4.735 5.514 0.014 11 0 "[ . 1 . 2]" 1
1855 1 94 LYS HB3 1 95 THR H . . 3.920 3.943 3.926 3.976 0.056 17 0 "[ . 1 . 2]" 1
1856 1 94 LYS QD 1 95 THR MG . . 4.260 3.503 2.871 4.237 . 0 0 "[ . 1 . 2]" 1
1857 1 94 LYS HE2 1 94 LYS HG3 . . 3.910 2.875 1.990 3.651 . 0 0 "[ . 1 . 2]" 1
1858 1 94 LYS HE2 1 95 THR MG . . 4.590 4.280 2.787 5.429 0.839 8 5 "[ -. + 1 ** . *]" 1
1859 1 94 LYS HG2 1 95 THR H . . 5.340 3.571 3.189 3.827 . 0 0 "[ . 1 . 2]" 1
1860 1 94 LYS HG2 1 95 THR MG . . 4.350 4.260 3.887 4.468 0.118 5 0 "[ . 1 . 2]" 1
1861 1 94 LYS HG3 1 95 THR H . . 5.100 2.142 1.942 2.330 . 0 0 "[ . 1 . 2]" 1
1862 1 94 LYS HG3 1 95 THR MG . . 4.440 2.791 2.447 3.026 . 0 0 "[ . 1 . 2]" 1
1863 1 95 THR H 1 95 THR HB . . 3.980 3.482 3.478 3.490 . 0 0 "[ . 1 . 2]" 1
1864 1 95 THR H 1 95 THR HG1 . . 5.070 3.160 1.915 3.572 . 0 0 "[ . 1 . 2]" 1
1865 1 95 THR H 1 95 THR MG . . 3.150 1.922 1.870 1.964 . 0 0 "[ . 1 . 2]" 1
1866 1 95 THR H 1 96 GLY H . . 3.390 2.867 2.757 3.059 . 0 0 "[ . 1 . 2]" 1
1867 1 95 THR H 1 96 GLY HA2 . . 5.050 5.025 5.002 5.062 0.012 18 0 "[ . 1 . 2]" 1
1868 1 95 THR HA 1 95 THR MG . . 2.950 2.481 2.443 2.512 . 0 0 "[ . 1 . 2]" 1
1869 1 95 THR HB 1 96 GLY H . . 4.300 3.794 3.350 4.198 . 0 0 "[ . 1 . 2]" 1
1870 1 95 THR HG1 1 96 GLY H . . 4.810 2.969 2.470 3.843 . 0 0 "[ . 1 . 2]" 1
1871 1 95 THR MG 1 96 GLY H . . 4.250 3.740 3.594 3.878 . 0 0 "[ . 1 . 2]" 1
1872 1 96 GLY H 1 97 ILE H . . 4.580 4.511 4.367 4.614 0.034 1 0 "[ . 1 . 2]" 1
1873 1 96 GLY H 1 97 ILE MD . . 5.500 5.051 4.726 5.392 . 0 0 "[ . 1 . 2]" 1
1874 1 96 GLY H 1 106 TYR QD . . 5.220 4.349 3.968 4.958 . 0 0 "[ . 1 . 2]" 1
1875 1 96 GLY HA2 1 97 ILE H . . 3.280 2.629 2.489 2.729 . 0 0 "[ . 1 . 2]" 1
1876 1 96 GLY HA2 1 106 TYR HA . . 4.080 2.512 2.385 2.790 . 0 0 "[ . 1 . 2]" 1
1877 1 96 GLY HA2 1 106 TYR QD . . 3.470 3.352 3.127 3.486 0.016 2 0 "[ . 1 . 2]" 1
1878 1 96 GLY HA2 1 107 LEU H . . 4.920 3.598 3.221 4.072 . 0 0 "[ . 1 . 2]" 1
1879 1 96 GLY HA3 1 97 ILE H . . 3.530 2.612 2.515 2.759 . 0 0 "[ . 1 . 2]" 1
1880 1 96 GLY HA3 1 104 PHE QD . . 3.980 3.582 2.444 3.985 0.005 20 0 "[ . 1 . 2]" 1
1881 1 96 GLY HA3 1 105 VAL H . . 5.500 4.305 3.336 4.886 . 0 0 "[ . 1 . 2]" 1
1882 1 96 GLY HA3 1 106 TYR QD . . 3.640 2.647 2.286 2.996 . 0 0 "[ . 1 . 2]" 1
1883 1 96 GLY HA3 1 106 TYR QE . . 3.770 3.450 3.267 3.783 0.013 15 0 "[ . 1 . 2]" 1
1884 1 97 ILE H 1 97 ILE HB . . 3.520 2.521 2.411 2.594 . 0 0 "[ . 1 . 2]" 1
1885 1 97 ILE H 1 97 ILE MD . . 4.190 3.496 3.205 3.720 . 0 0 "[ . 1 . 2]" 1
1886 1 97 ILE H 1 97 ILE HG12 . . 4.470 4.424 4.301 4.489 0.019 1 0 "[ . 1 . 2]" 1
1887 1 97 ILE H 1 97 ILE HG13 . . 3.870 3.191 3.043 3.274 . 0 0 "[ . 1 . 2]" 1
1888 1 97 ILE H 1 97 ILE MG . . 3.750 3.737 3.664 3.763 0.013 7 0 "[ . 1 . 2]" 1
1889 1 97 ILE H 1 104 PHE HA . . 5.150 4.766 4.321 5.006 . 0 0 "[ . 1 . 2]" 1
1890 1 97 ILE H 1 104 PHE HB3 . . 4.620 4.595 4.418 4.631 0.011 3 0 "[ . 1 . 2]" 1
1891 1 97 ILE H 1 104 PHE QD . . 4.090 3.947 3.786 4.089 . 0 0 "[ . 1 . 2]" 1
1892 1 97 ILE H 1 104 PHE QE . . 5.500 5.461 5.273 5.520 0.020 20 0 "[ . 1 . 2]" 1
1893 1 97 ILE H 1 105 VAL H . . 3.800 2.684 2.217 2.967 . 0 0 "[ . 1 . 2]" 1
1894 1 97 ILE H 1 105 VAL HB . . 4.230 3.272 2.646 3.586 . 0 0 "[ . 1 . 2]" 1
1895 1 97 ILE H 1 106 TYR HA . . 4.700 3.366 3.116 4.001 . 0 0 "[ . 1 . 2]" 1
1896 1 97 ILE H 1 106 TYR QD . . 5.350 4.470 4.111 4.837 . 0 0 "[ . 1 . 2]" 1
1897 1 97 ILE H 1 106 TYR QE . . 5.500 5.176 4.835 5.468 . 0 0 "[ . 1 . 2]" 1
1898 1 97 ILE HA 1 97 ILE MD . . 3.960 3.792 3.770 3.806 . 0 0 "[ . 1 . 2]" 1
1899 1 97 ILE HA 1 97 ILE HG12 . . 3.630 2.867 2.754 2.950 . 0 0 "[ . 1 . 2]" 1
1900 1 97 ILE HA 1 97 ILE HG13 . . 3.650 2.466 2.418 2.496 . 0 0 "[ . 1 . 2]" 1
1901 1 97 ILE HA 1 97 ILE MG . . 3.130 2.528 2.453 2.575 . 0 0 "[ . 1 . 2]" 1
1902 1 97 ILE HA 1 98 GLU H . . 2.900 2.321 2.216 2.381 . 0 0 "[ . 1 . 2]" 1
1903 1 97 ILE HB 1 97 ILE MD . . 3.140 1.993 1.937 2.195 . 0 0 "[ . 1 . 2]" 1
1904 1 97 ILE HB 1 98 GLU H . . 5.070 4.059 3.920 4.277 . 0 0 "[ . 1 . 2]" 1
1905 1 97 ILE HB 1 105 VAL H . . 4.230 3.754 3.557 3.977 . 0 0 "[ . 1 . 2]" 1
1906 1 97 ILE HB 1 105 VAL HB . . 3.110 2.655 2.475 2.792 . 0 0 "[ . 1 . 2]" 1
1907 1 97 ILE MD 1 97 ILE MG . . 2.920 2.533 2.309 2.682 . 0 0 "[ . 1 . 2]" 1
1908 1 97 ILE MD 1 98 GLU H . . 5.280 5.017 4.905 5.229 . 0 0 "[ . 1 . 2]" 1
1909 1 97 ILE MD 1 105 VAL H . . 5.500 5.068 4.818 5.255 . 0 0 "[ . 1 . 2]" 1
1910 1 97 ILE MD 1 105 VAL HB . . 3.900 3.708 3.430 3.908 0.008 20 0 "[ . 1 . 2]" 1
1911 1 97 ILE MD 1 105 VAL MG1 . . 3.400 3.302 3.017 3.414 0.014 18 0 "[ . 1 . 2]" 1
1912 1 97 ILE HG12 1 97 ILE MG . . 3.560 2.185 2.017 2.288 . 0 0 "[ . 1 . 2]" 1
1913 1 97 ILE HG12 1 98 GLU H . . 4.590 4.233 4.041 4.516 . 0 0 "[ . 1 . 2]" 1
1914 1 97 ILE HG13 1 98 GLU H . . 4.540 4.551 4.470 4.582 0.042 7 0 "[ . 1 . 2]" 1
1915 1 97 ILE MG 1 98 GLU H . . 3.390 2.161 1.937 2.364 . 0 0 "[ . 1 . 2]" 1
1916 1 97 ILE MG 1 98 GLU HA . . 4.490 3.590 3.462 3.815 . 0 0 "[ . 1 . 2]" 1
1917 1 97 ILE MG 1 99 GLU H . . 5.310 4.174 3.882 4.554 . 0 0 "[ . 1 . 2]" 1
1918 1 97 ILE MG 1 99 GLU HA . . 4.200 3.754 3.587 3.937 . 0 0 "[ . 1 . 2]" 1
1919 1 97 ILE MG 1 99 GLU HG2 . . 4.110 3.978 3.790 4.117 0.007 19 0 "[ . 1 . 2]" 1
1920 1 97 ILE MG 1 99 GLU HG3 . . 4.470 4.170 3.666 4.480 0.010 8 0 "[ . 1 . 2]" 1
1921 1 97 ILE MG 1 105 VAL H . . 4.450 4.022 3.636 4.339 . 0 0 "[ . 1 . 2]" 1
1922 1 97 ILE MG 1 105 VAL HB . . 3.660 3.406 3.130 3.689 0.029 15 0 "[ . 1 . 2]" 1
1923 1 98 GLU H 1 98 GLU HB2 . . 3.440 2.968 2.744 3.087 . 0 0 "[ . 1 . 2]" 1
1924 1 98 GLU H 1 98 GLU HB3 . . 3.410 2.467 2.381 2.539 . 0 0 "[ . 1 . 2]" 1
1925 1 98 GLU H 1 98 GLU HG2 . . 4.290 4.296 4.286 4.310 0.020 4 0 "[ . 1 . 2]" 1
1926 1 98 GLU H 1 98 GLU HG3 . . 4.790 4.704 4.604 4.772 . 0 0 "[ . 1 . 2]" 1
1927 1 98 GLU H 1 99 GLU H . . 4.620 4.447 4.328 4.582 . 0 0 "[ . 1 . 2]" 1
1928 1 98 GLU H 1 104 PHE HA . . 5.500 4.759 4.311 4.915 . 0 0 "[ . 1 . 2]" 1
1929 1 98 GLU H 1 104 PHE QD . . 5.500 4.886 4.650 5.221 . 0 0 "[ . 1 . 2]" 1
1930 1 98 GLU H 1 104 PHE QE . . 5.340 4.798 4.484 5.170 . 0 0 "[ . 1 . 2]" 1
1931 1 98 GLU HA 1 98 GLU HG2 . . 3.630 2.897 2.733 3.066 . 0 0 "[ . 1 . 2]" 1
1932 1 98 GLU HA 1 98 GLU HG3 . . 3.580 2.811 2.672 2.983 . 0 0 "[ . 1 . 2]" 1
1933 1 98 GLU HA 1 99 GLU H . . 2.900 2.227 2.203 2.258 . 0 0 "[ . 1 . 2]" 1
1934 1 98 GLU HA 1 104 PHE H . . 5.160 4.835 4.453 5.019 . 0 0 "[ . 1 . 2]" 1
1935 1 98 GLU HA 1 104 PHE HA . . 3.270 2.113 1.993 2.251 . 0 0 "[ . 1 . 2]" 1
1936 1 98 GLU HA 1 104 PHE QD . . 4.200 3.533 3.283 3.713 . 0 0 "[ . 1 . 2]" 1
1937 1 98 GLU HA 1 105 VAL H . . 4.160 3.300 3.019 3.690 . 0 0 "[ . 1 . 2]" 1
1938 1 98 GLU HB2 1 99 GLU H . . 4.550 4.249 4.163 4.359 . 0 0 "[ . 1 . 2]" 1
1939 1 98 GLU HB2 1 104 PHE QD . . 4.100 3.671 3.397 3.963 . 0 0 "[ . 1 . 2]" 1
1940 1 98 GLU HB2 1 104 PHE QE . . 3.800 2.963 2.510 3.280 . 0 0 "[ . 1 . 2]" 1
1941 1 98 GLU HB2 1 104 PHE HZ . . 3.960 3.099 2.679 3.527 . 0 0 "[ . 1 . 2]" 1
1942 1 98 GLU HB2 1 105 VAL H . . 5.500 5.147 4.928 5.441 . 0 0 "[ . 1 . 2]" 1
1943 1 98 GLU HB3 1 99 GLU H . . 4.420 4.303 4.200 4.418 . 0 0 "[ . 1 . 2]" 1
1944 1 98 GLU HG2 1 99 GLU H . . 3.740 2.726 2.414 3.054 . 0 0 "[ . 1 . 2]" 1
1945 1 98 GLU HG2 1 102 GLY H . . 4.720 4.055 3.403 4.590 . 0 0 "[ . 1 . 2]" 1
1946 1 98 GLU HG2 1 102 GLY HA2 . . 4.410 3.931 3.179 4.388 . 0 0 "[ . 1 . 2]" 1
1947 1 98 GLU HG3 1 99 GLU H . . 4.020 3.394 3.196 3.629 . 0 0 "[ . 1 . 2]" 1
1948 1 98 GLU HG3 1 102 GLY HA2 . . 4.400 3.985 3.209 4.402 0.002 20 0 "[ . 1 . 2]" 1
1949 1 98 GLU HG3 1 104 PHE QD . . 4.810 3.245 2.846 3.767 . 0 0 "[ . 1 . 2]" 1
1950 1 98 GLU HG3 1 104 PHE QE . . 4.470 2.809 2.344 3.489 . 0 0 "[ . 1 . 2]" 1
1951 1 99 GLU H 1 99 GLU QB . . 3.500 2.247 2.078 2.522 . 0 0 "[ . 1 . 2]" 1
1952 1 99 GLU H 1 99 GLU HG2 . . 3.950 3.615 3.161 3.898 . 0 0 "[ . 1 . 2]" 1
1953 1 99 GLU H 1 99 GLU HG3 . . 3.610 2.831 1.983 3.485 . 0 0 "[ . 1 . 2]" 1
1954 1 99 GLU H 1 103 ALA H . . 4.730 3.971 2.937 4.514 . 0 0 "[ . 1 . 2]" 1
1955 1 99 GLU H 1 103 ALA MB . . 4.310 4.039 3.760 4.301 . 0 0 "[ . 1 . 2]" 1
1956 1 99 GLU H 1 104 PHE H . . 5.440 4.646 4.557 4.766 . 0 0 "[ . 1 . 2]" 1
1957 1 99 GLU H 1 104 PHE HA . . 4.230 2.745 2.475 3.228 . 0 0 "[ . 1 . 2]" 1
1958 1 99 GLU H 1 104 PHE QD . . 5.500 4.529 4.235 4.836 . 0 0 "[ . 1 . 2]" 1
1959 1 99 GLU H 1 105 VAL MG2 . . 4.020 3.779 3.372 3.957 . 0 0 "[ . 1 . 2]" 1
1960 1 99 GLU HA 1 99 GLU HG2 . . 3.390 2.239 2.007 2.664 . 0 0 "[ . 1 . 2]" 1
1961 1 99 GLU HA 1 99 GLU HG3 . . 3.950 3.078 2.908 3.219 . 0 0 "[ . 1 . 2]" 1
1962 1 99 GLU HA 1 100 ALA MB . . 4.310 4.067 4.014 4.117 . 0 0 "[ . 1 . 2]" 1
1963 1 99 GLU HA 1 105 VAL MG2 . . 4.500 4.450 4.176 4.520 0.020 19 0 "[ . 1 . 2]" 1
1964 1 99 GLU QB 1 100 ALA H . . 4.690 2.156 1.937 2.558 . 0 0 "[ . 1 . 2]" 1
1965 1 99 GLU QB 1 100 ALA MB . . 4.140 3.778 3.660 3.905 . 0 0 "[ . 1 . 2]" 1
1966 1 99 GLU QB 1 101 SER H . . 5.120 2.179 1.960 2.430 . 0 0 "[ . 1 . 2]" 1
1967 1 99 GLU QB 1 102 GLY H . . 4.610 3.186 2.746 3.991 . 0 0 "[ . 1 . 2]" 1
1968 1 99 GLU QB 1 103 ALA H . . 4.070 2.811 2.335 3.204 . 0 0 "[ . 1 . 2]" 1
1969 1 99 GLU QB 1 103 ALA MB . . 3.530 2.754 2.446 3.109 . 0 0 "[ . 1 . 2]" 1
1970 1 99 GLU HG2 1 105 VAL MG2 . . 3.620 3.054 2.417 3.463 . 0 0 "[ . 1 . 2]" 1
1971 1 99 GLU HG3 1 103 ALA MB . . 4.160 3.841 3.375 4.157 . 0 0 "[ . 1 . 2]" 1
1972 1 99 GLU HG3 1 105 VAL H . . 5.370 4.407 3.595 5.011 . 0 0 "[ . 1 . 2]" 1
1973 1 99 GLU HG3 1 105 VAL MG2 . . 3.550 2.028 1.949 2.280 . 0 0 "[ . 1 . 2]" 1
1974 1 100 ALA HA 1 102 GLY H . . 4.510 3.519 3.231 3.770 . 0 0 "[ . 1 . 2]" 1
1975 1 100 ALA MB 1 101 SER H . . 4.330 3.124 2.916 3.431 . 0 0 "[ . 1 . 2]" 1
1976 1 100 ALA MB 1 101 SER HA . . 4.390 3.926 3.847 4.099 . 0 0 "[ . 1 . 2]" 1
1977 1 100 ALA MB 1 101 SER HB2 . . 4.780 4.805 4.292 5.555 0.775 1 6 "[+ *-* * * . 2]" 1
1978 1 100 ALA MB 1 102 GLY H . . 4.660 4.356 4.191 4.510 . 0 0 "[ . 1 . 2]" 1
1979 1 101 SER H 1 102 GLY H . . 4.460 2.471 2.173 2.892 . 0 0 "[ . 1 . 2]" 1
1980 1 101 SER H 1 103 ALA H . . 5.320 3.484 3.038 3.813 . 0 0 "[ . 1 . 2]" 1
1981 1 101 SER HA 1 101 SER HB2 . . 3.050 2.761 2.320 3.027 . 0 0 "[ . 1 . 2]" 1
1982 1 101 SER HA 1 101 SER HB3 . . 2.940 2.704 2.287 3.033 0.093 16 0 "[ . 1 . 2]" 1
1983 1 101 SER HA 1 102 GLY H . . 3.580 3.372 2.982 3.495 . 0 0 "[ . 1 . 2]" 1
1984 1 101 SER HA 1 103 ALA H . . 4.870 4.478 4.216 4.718 . 0 0 "[ . 1 . 2]" 1
1985 1 101 SER HB2 1 102 GLY H . . 4.730 3.898 3.204 4.551 . 0 0 "[ . 1 . 2]" 1
1986 1 101 SER HB2 1 103 ALA H . . 4.910 3.617 2.880 4.542 . 0 0 "[ . 1 . 2]" 1
1987 1 101 SER HB3 1 102 GLY H . . 4.690 3.991 3.375 4.661 . 0 0 "[ . 1 . 2]" 1
1988 1 101 SER HB3 1 103 ALA H . . 4.540 3.568 2.624 4.631 0.091 4 0 "[ . 1 . 2]" 1
1989 1 101 SER HB3 1 103 ALA MB . . 4.890 3.711 2.853 4.687 . 0 0 "[ . 1 . 2]" 1
1990 1 102 GLY H 1 103 ALA H . . 3.320 2.476 2.007 2.736 . 0 0 "[ . 1 . 2]" 1
1991 1 102 GLY H 1 103 ALA MB . . 4.820 4.189 3.896 4.484 . 0 0 "[ . 1 . 2]" 1
1992 1 103 ALA H 1 103 ALA MB . . 2.840 2.222 2.126 2.350 . 0 0 "[ . 1 . 2]" 1
1993 1 103 ALA H 1 104 PHE H . . 4.810 4.610 4.522 4.648 . 0 0 "[ . 1 . 2]" 1
1994 1 103 ALA HA 1 104 PHE H . . 2.900 2.354 2.301 2.379 . 0 0 "[ . 1 . 2]" 1
1995 1 103 ALA HA 1 104 PHE HB2 . . 4.480 4.090 4.067 4.118 . 0 0 "[ . 1 . 2]" 1
1996 1 103 ALA HA 1 104 PHE QD . . 4.340 3.515 3.440 3.630 . 0 0 "[ . 1 . 2]" 1
1997 1 103 ALA MB 1 104 PHE H . . 3.150 2.727 2.667 2.841 . 0 0 "[ . 1 . 2]" 1
1998 1 103 ALA MB 1 104 PHE HB2 . . 4.570 4.549 4.520 4.581 0.011 9 0 "[ . 1 . 2]" 1
1999 1 104 PHE H 1 104 PHE HB2 . . 3.220 2.113 2.020 2.173 . 0 0 "[ . 1 . 2]" 1
2000 1 104 PHE H 1 104 PHE HB3 . . 3.650 3.341 3.286 3.382 . 0 0 "[ . 1 . 2]" 1
2001 1 104 PHE H 1 104 PHE QD . . 3.740 3.038 2.900 3.123 . 0 0 "[ . 1 . 2]" 1
2002 1 104 PHE H 1 104 PHE QE . . 5.500 5.344 5.233 5.424 . 0 0 "[ . 1 . 2]" 1
2003 1 104 PHE H 1 105 VAL H . . 4.840 4.557 4.533 4.590 . 0 0 "[ . 1 . 2]" 1
2004 1 104 PHE H 1 106 TYR QE . . 5.500 4.589 4.362 4.821 . 0 0 "[ . 1 . 2]" 1
2005 1 104 PHE HA 1 105 VAL H . . 3.190 2.383 2.314 2.459 . 0 0 "[ . 1 . 2]" 1
2006 1 104 PHE HB2 1 105 VAL H . . 4.270 4.160 4.048 4.271 0.001 19 0 "[ . 1 . 2]" 1
2007 1 104 PHE HB2 1 106 TYR QE . . 3.690 3.602 2.899 3.704 0.014 20 0 "[ . 1 . 2]" 1
2008 1 104 PHE HB3 1 105 VAL H . . 3.820 2.890 2.710 3.077 . 0 0 "[ . 1 . 2]" 1
2009 1 104 PHE HB3 1 106 TYR QE . . 3.700 3.121 2.007 3.291 . 0 0 "[ . 1 . 2]" 1
2010 1 104 PHE QD 1 105 VAL H . . 4.250 3.409 3.176 3.714 . 0 0 "[ . 1 . 2]" 1
2011 1 104 PHE QD 1 106 TYR QE . . 3.910 3.645 3.310 3.884 . 0 0 "[ . 1 . 2]" 1
2012 1 105 VAL H 1 105 VAL HB . . 3.520 2.599 2.472 2.682 . 0 0 "[ . 1 . 2]" 1
2013 1 105 VAL H 1 105 VAL MG1 . . 3.920 3.802 3.723 3.848 . 0 0 "[ . 1 . 2]" 1
2014 1 105 VAL H 1 105 VAL MG2 . . 3.290 2.953 2.561 3.229 . 0 0 "[ . 1 . 2]" 1
2015 1 105 VAL H 1 106 TYR H . . 5.100 4.448 4.405 4.493 . 0 0 "[ . 1 . 2]" 1
2016 1 105 VAL HA 1 105 VAL MG1 . . 3.250 2.400 2.293 2.507 . 0 0 "[ . 1 . 2]" 1
2017 1 105 VAL HA 1 105 VAL MG2 . . 3.290 2.288 2.161 2.447 . 0 0 "[ . 1 . 2]" 1
2018 1 105 VAL HA 1 106 TYR H . . 3.030 2.366 2.307 2.484 . 0 0 "[ . 1 . 2]" 1
2019 1 105 VAL HA 1 106 TYR QE . . 4.020 4.021 3.903 4.087 0.067 15 0 "[ . 1 . 2]" 1
2020 1 105 VAL HB 1 106 TYR H . . 4.200 3.924 3.767 4.006 . 0 0 "[ . 1 . 2]" 1
2021 1 105 VAL MG1 1 106 TYR H . . 3.530 1.895 1.815 1.922 . 0 0 "[ . 1 . 2]" 1
2022 1 106 TYR H 1 106 TYR HB2 . . 3.940 2.695 2.616 2.798 . 0 0 "[ . 1 . 2]" 1
2023 1 106 TYR H 1 106 TYR HB3 . . 4.100 3.763 3.691 3.843 . 0 0 "[ . 1 . 2]" 1
2024 1 106 TYR H 1 106 TYR QD . . 3.550 2.781 2.555 3.181 . 0 0 "[ . 1 . 2]" 1
2025 1 106 TYR H 1 107 LEU H . . 5.290 4.415 4.322 4.465 . 0 0 "[ . 1 . 2]" 1
2026 1 106 TYR HA 1 106 TYR QD . . 3.220 2.996 2.519 3.086 . 0 0 "[ . 1 . 2]" 1
2027 1 106 TYR HA 1 107 LEU H . . 3.260 2.313 2.261 2.362 . 0 0 "[ . 1 . 2]" 1
2028 1 106 TYR HA 1 107 LEU MD1 . . 4.270 2.476 2.309 2.696 . 0 0 "[ . 1 . 2]" 1
2029 1 106 TYR HB2 1 107 LEU H . . 4.140 3.862 3.753 4.011 . 0 0 "[ . 1 . 2]" 1
2030 1 106 TYR HB2 1 108 ARG HG2 . . 4.610 4.004 3.393 4.167 . 0 0 "[ . 1 . 2]" 1
2031 1 106 TYR HB2 1 108 ARG HG3 . . 4.320 3.327 2.959 3.663 . 0 0 "[ . 1 . 2]" 1
2032 1 106 TYR HB3 1 107 LEU H . . 3.840 2.986 2.841 3.209 . 0 0 "[ . 1 . 2]" 1
2033 1 106 TYR HB3 1 108 ARG HG2 . . 4.120 4.257 3.734 4.643 0.523 15 1 "[ . 1 + 2]" 1
2034 1 106 TYR HB3 1 108 ARG HG3 . . 4.030 4.227 4.023 4.628 0.598 16 1 "[ . 1 .+ 2]" 1
2035 1 106 TYR QD 1 107 LEU H . . 4.610 4.290 4.167 4.526 . 0 0 "[ . 1 . 2]" 1
2036 1 107 LEU H 1 107 LEU HB2 . . 3.810 2.612 2.530 2.682 . 0 0 "[ . 1 . 2]" 1
2037 1 107 LEU H 1 107 LEU HB3 . . 4.040 3.659 3.627 3.693 . 0 0 "[ . 1 . 2]" 1
2038 1 107 LEU H 1 107 LEU MD1 . . 3.980 1.891 1.815 1.962 . 0 0 "[ . 1 . 2]" 1
2039 1 107 LEU H 1 107 LEU MD2 . . 4.040 4.019 3.965 4.063 0.023 17 0 "[ . 1 . 2]" 1
2040 1 107 LEU H 1 107 LEU HG . . 3.860 3.311 3.058 3.528 . 0 0 "[ . 1 . 2]" 1
2041 1 107 LEU H 1 108 ARG HG3 . . 5.460 5.284 4.982 5.554 0.094 16 0 "[ . 1 . 2]" 1
2042 1 107 LEU HA 1 107 LEU MD1 . . 4.050 3.309 3.164 3.450 . 0 0 "[ . 1 . 2]" 1
2043 1 107 LEU HA 1 107 LEU HG . . 4.000 2.615 2.550 2.678 . 0 0 "[ . 1 . 2]" 1
2044 1 107 LEU HA 1 108 ARG H . . 3.230 2.287 2.212 2.525 . 0 0 "[ . 1 . 2]" 1
2045 1 107 LEU HA 1 109 GLN H . . 4.560 3.824 3.245 4.199 . 0 0 "[ . 1 . 2]" 1
2046 1 107 LEU HB2 1 107 LEU MD1 . . 3.240 2.178 2.108 2.232 . 0 0 "[ . 1 . 2]" 1
2047 1 107 LEU HB2 1 107 LEU MD2 . . 3.180 2.534 2.431 2.583 . 0 0 "[ . 1 . 2]" 1
2048 1 107 LEU HB2 1 108 ARG H . . 4.890 4.486 4.436 4.549 . 0 0 "[ . 1 . 2]" 1
2049 1 107 LEU HB3 1 108 ARG H . . 4.400 4.081 3.894 4.418 0.018 2 0 "[ . 1 . 2]" 1
2050 1 107 LEU HB3 1 109 GLN H . . 5.390 4.507 3.728 4.927 . 0 0 "[ . 1 . 2]" 1
2051 1 108 ARG H 1 108 ARG QB . . 3.490 2.269 2.210 2.403 . 0 0 "[ . 1 . 2]" 1
2052 1 108 ARG H 1 108 ARG QD . . 4.670 4.187 3.902 4.376 . 0 0 "[ . 1 . 2]" 1
2053 1 108 ARG H 1 108 ARG HG2 . . 4.000 3.403 2.957 3.545 . 0 0 "[ . 1 . 2]" 1
2054 1 108 ARG H 1 108 ARG HG3 . . 4.100 2.656 2.286 2.884 . 0 0 "[ . 1 . 2]" 1
2055 1 108 ARG H 1 109 GLN H . . 3.390 2.612 2.354 2.911 . 0 0 "[ . 1 . 2]" 1
2056 1 108 ARG HA 1 108 ARG HG2 . . 3.560 2.234 2.154 2.394 . 0 0 "[ . 1 . 2]" 1
2057 1 108 ARG HA 1 108 ARG HG3 . . 3.970 3.167 3.041 3.282 . 0 0 "[ . 1 . 2]" 1
2058 1 108 ARG QB 1 108 ARG QD . . 3.290 2.174 2.000 2.404 . 0 0 "[ . 1 . 2]" 1
2059 1 108 ARG QB 1 109 GLN H . . 3.350 2.466 2.223 2.942 . 0 0 "[ . 1 . 2]" 1
2060 1 108 ARG QB 1 109 GLN HE21 . . 4.050 2.597 2.133 3.702 . 0 0 "[ . 1 . 2]" 1
2061 1 108 ARG QB 1 109 GLN HE22 . . 4.500 3.182 2.700 3.994 . 0 0 "[ . 1 . 2]" 1
2062 1 108 ARG QD 1 109 GLN H . . 5.500 4.870 4.578 5.345 . 0 0 "[ . 1 . 2]" 1
2063 1 108 ARG HG2 1 109 GLN H . . 5.180 4.878 4.791 4.997 . 0 0 "[ . 1 . 2]" 1
2064 1 108 ARG HG3 1 109 GLN H . . 4.810 4.496 4.313 4.806 . 0 0 "[ . 1 . 2]" 1
2065 1 109 GLN H 1 109 GLN HB2 . . 4.090 3.950 3.860 4.103 0.013 18 0 "[ . 1 . 2]" 1
2066 1 109 GLN H 1 109 GLN HB3 . . 3.870 3.217 3.061 3.418 . 0 0 "[ . 1 . 2]" 1
2067 1 109 GLN H 1 109 GLN HE21 . . 5.240 2.812 2.228 4.108 . 0 0 "[ . 1 . 2]" 1
2068 1 109 GLN H 1 109 GLN HG2 . . 4.520 2.577 2.359 2.919 . 0 0 "[ . 1 . 2]" 1
2069 1 109 GLN H 1 109 GLN HG3 . . 4.430 4.103 3.919 4.360 . 0 0 "[ . 1 . 2]" 1
2070 1 109 GLN H 1 110 PRO QD . . 4.620 4.202 4.155 4.254 . 0 0 "[ . 1 . 2]" 1
2071 1 109 GLN HA 1 109 GLN HG2 . . 4.140 3.549 3.540 3.564 . 0 0 "[ . 1 . 2]" 1
2072 1 109 GLN HA 1 109 GLN HG3 . . 4.170 3.996 3.898 4.094 . 0 0 "[ . 1 . 2]" 1
2073 1 109 GLN HA 1 110 PRO QD . . 2.760 1.919 1.876 2.031 . 0 0 "[ . 1 . 2]" 1
2074 1 109 GLN HA 1 110 PRO HG3 . . 4.300 4.243 4.209 4.336 0.036 18 0 "[ . 1 . 2]" 1
2075 1 109 GLN HB2 1 110 PRO QD . . 3.890 2.299 1.943 2.512 . 0 0 "[ . 1 . 2]" 1
2076 1 109 GLN HB3 1 109 GLN HE21 . . 4.250 3.413 3.139 3.936 . 0 0 "[ . 1 . 2]" 1
2077 1 109 GLN HB3 1 110 PRO QD . . 3.680 3.569 3.402 3.623 . 0 0 "[ . 1 . 2]" 1
2078 1 109 GLN HE21 1 110 PRO QD . . 5.500 5.607 5.526 5.651 0.151 6 0 "[ . 1 . 2]" 1
2079 1 109 GLN HG2 1 110 PRO QD . . 4.440 4.041 3.733 4.243 . 0 0 "[ . 1 . 2]" 1
2080 1 109 GLN HG3 1 110 PRO QD . . 4.260 3.684 2.965 4.164 . 0 0 "[ . 1 . 2]" 1
2081 1 110 PRO HA 1 111 TYR H . . 2.830 2.460 2.324 2.686 . 0 0 "[ . 1 . 2]" 1
2082 1 110 PRO HA 1 111 TYR HA . . 4.600 4.272 4.211 4.367 . 0 0 "[ . 1 . 2]" 1
2083 1 110 PRO HA 1 111 TYR HB2 . . 4.700 4.260 4.134 4.562 . 0 0 "[ . 1 . 2]" 1
2084 1 110 PRO HA 1 111 TYR HB3 . . 4.600 4.564 4.292 4.713 0.113 19 0 "[ . 1 . 2]" 1
2085 1 110 PRO HB2 1 111 TYR H . . 4.170 2.661 2.143 3.008 . 0 0 "[ . 1 . 2]" 1
2086 1 110 PRO HB2 1 112 TYR QE . . 4.340 3.605 2.788 4.358 0.018 12 0 "[ . 1 . 2]" 1
2087 1 110 PRO HB3 1 111 TYR H . . 4.110 3.380 3.159 3.556 . 0 0 "[ . 1 . 2]" 1
2088 1 110 PRO QD 1 112 TYR QE . . 3.860 3.119 2.314 3.860 0.000 14 0 "[ . 1 . 2]" 1
2089 1 110 PRO HG2 1 111 TYR H . . 4.930 4.675 4.210 4.953 0.023 12 0 "[ . 1 . 2]" 1
2090 1 110 PRO HG3 1 112 TYR QE . . 4.180 3.850 3.336 4.177 . 0 0 "[ . 1 . 2]" 1
2091 1 111 TYR H 1 111 TYR HB2 . . 3.620 2.661 2.372 3.011 . 0 0 "[ . 1 . 2]" 1
2092 1 111 TYR H 1 111 TYR HB3 . . 3.640 2.298 2.076 2.407 . 0 0 "[ . 1 . 2]" 1
2093 1 111 TYR H 1 111 TYR QD . . 4.170 4.109 3.993 4.172 0.002 8 0 "[ . 1 . 2]" 1
2094 1 111 TYR H 1 112 TYR H . . 4.890 4.187 2.296 4.637 . 0 0 "[ . 1 . 2]" 1
2095 1 111 TYR HA 1 111 TYR QD . . 3.350 2.393 2.135 2.913 . 0 0 "[ . 1 . 2]" 1
2096 1 111 TYR HA 1 112 TYR H . . 3.320 2.428 2.187 3.604 0.284 12 0 "[ . 1 . 2]" 1
2097 1 111 TYR HB2 1 112 TYR H . . 5.150 4.287 3.887 4.625 . 0 0 "[ . 1 . 2]" 1
2098 1 111 TYR HB3 1 112 TYR H . . 5.210 4.032 2.518 4.427 . 0 0 "[ . 1 . 2]" 1
2099 1 111 TYR QD 1 112 TYR H . . 4.360 3.331 2.699 4.398 0.038 2 0 "[ . 1 . 2]" 1
2100 1 111 TYR QE 1 113 SER HA . . 4.260 4.022 3.332 4.266 0.006 17 0 "[ . 1 . 2]" 1
2101 1 111 TYR QE 1 113 SER HB2 . . 4.330 3.416 2.563 4.724 0.394 18 0 "[ . 1 . 2]" 1
2102 1 111 TYR QE 1 113 SER HB3 . . 4.680 3.871 2.512 4.593 . 0 0 "[ . 1 . 2]" 1
2103 1 112 TYR H 1 112 TYR HB2 . . 4.020 2.437 2.053 3.182 . 0 0 "[ . 1 . 2]" 1
2104 1 112 TYR H 1 112 TYR QD . . 5.030 2.846 2.056 3.814 . 0 0 "[ . 1 . 2]" 1
2105 1 112 TYR HA 1 112 TYR QD . . 3.240 2.799 2.109 3.251 0.011 8 0 "[ . 1 . 2]" 1
2106 1 112 TYR HB2 1 113 SER H . . 5.500 3.659 2.235 4.699 . 0 0 "[ . 1 . 2]" 1
2107 1 113 SER HB2 1 114 GLY H . . 5.500 3.721 2.529 4.643 . 0 0 "[ . 1 . 2]" 1
2108 1 113 SER HB3 1 114 GLY H . . 5.500 3.809 1.961 4.503 . 0 0 "[ . 1 . 2]" 1
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