NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628529 |
5wah   |
30313 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5wah
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 1424
_Distance_constraint_stats_list.Viol_count 558
_Distance_constraint_stats_list.Viol_total 968.456
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0151
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0868
_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 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.600 0.171 5 0 "[ . 1 . 2]"
1 15 GLY 0.295 0.149 18 0 "[ . 1 . 2]"
1 16 LYS 1.194 0.358 10 0 "[ . 1 . 2]"
1 17 ARG 1.856 0.265 18 0 "[ . 1 . 2]"
1 18 GLU 0.787 0.200 1 0 "[ . 1 . 2]"
1 19 LYS 0.174 0.071 13 0 "[ . 1 . 2]"
1 20 GLN 1.314 0.265 18 0 "[ . 1 . 2]"
1 21 LEU 2.239 0.337 18 0 "[ . 1 . 2]"
1 22 GLN 0.344 0.081 9 0 "[ . 1 . 2]"
1 23 GLN 0.530 0.117 3 0 "[ . 1 . 2]"
1 24 TRP 2.858 0.180 20 0 "[ . 1 . 2]"
1 25 LYS 4.985 0.337 18 0 "[ . 1 . 2]"
1 26 ASN 0.680 0.124 13 0 "[ . 1 . 2]"
1 27 ASN 1.731 0.180 20 0 "[ . 1 . 2]"
1 28 LEU 0.366 0.108 18 0 "[ . 1 . 2]"
1 29 LYS 0.582 0.156 3 0 "[ . 1 . 2]"
1 30 ASN 0.203 0.116 12 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 1.242 0.146 19 0 "[ . 1 . 2]"
1 33 ASP 0.087 0.087 15 0 "[ . 1 . 2]"
1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 6.624 0.187 11 0 "[ . 1 . 2]"
1 36 ILE 3.055 0.196 13 0 "[ . 1 . 2]"
1 37 LEU 4.462 0.187 11 0 "[ . 1 . 2]"
1 38 SER 0.641 0.184 4 0 "[ . 1 . 2]"
1 39 HIS 0.445 0.153 19 0 "[ . 1 . 2]"
1 40 GLU 1.693 0.159 13 0 "[ . 1 . 2]"
1 41 GLN 0.095 0.095 11 0 "[ . 1 . 2]"
1 42 LYS 1.838 0.237 17 0 "[ . 1 . 2]"
1 43 ASN 3.160 0.227 18 0 "[ . 1 . 2]"
1 44 GLU 1.851 0.221 2 0 "[ . 1 . 2]"
1 45 PHE 0.736 0.099 1 0 "[ . 1 . 2]"
1 46 LYS 2.738 0.237 17 0 "[ . 1 . 2]"
1 47 THR 0.858 0.128 9 0 "[ . 1 . 2]"
1 48 LYS 1.139 0.221 2 0 "[ . 1 . 2]"
1 49 ILE 1.914 0.204 9 0 "[ . 1 . 2]"
1 50 ASP 0.195 0.090 10 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 1.627 0.158 4 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 1.756 0.158 4 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.251 0.063 18 0 "[ . 1 . 2]"
1 58 LEU 0.877 0.137 7 0 "[ . 1 . 2]"
1 59 LEU 0.014 0.014 13 0 "[ . 1 . 2]"
1 60 GLU 0.730 0.131 9 0 "[ . 1 . 2]"
1 61 LEU 0.149 0.099 1 0 "[ . 1 . 2]"
1 62 GLU 0.343 0.099 15 0 "[ . 1 . 2]"
1 63 ASN 0.745 0.131 9 0 "[ . 1 . 2]"
1 64 GLN 0.065 0.052 16 0 "[ . 1 . 2]"
1 65 PHE 0.591 0.158 3 0 "[ . 1 . 2]"
1 66 ASN 0.235 0.099 15 0 "[ . 1 . 2]"
1 67 GLU 0.063 0.055 8 0 "[ . 1 . 2]"
1 68 THR 0.434 0.099 3 0 "[ . 1 . 2]"
1 69 ASN 0.252 0.095 9 0 "[ . 1 . 2]"
1 70 ARG 1.427 0.217 2 0 "[ . 1 . 2]"
1 71 LEU 0.232 0.103 18 0 "[ . 1 . 2]"
1 72 LEU 7.413 0.307 8 0 "[ . 1 . 2]"
1 73 HIS 11.185 0.307 8 0 "[ . 1 . 2]"
1 74 ILE 1.478 0.217 2 0 "[ . 1 . 2]"
1 75 LYS 0.124 0.086 12 0 "[ . 1 . 2]"
1 76 GLN 2.877 0.203 11 0 "[ . 1 . 2]"
1 77 HIS 0.897 0.136 12 0 "[ . 1 . 2]"
1 78 GLU 0.427 0.100 18 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.944 0.197 8 0 "[ . 1 . 2]"
1 81 GLU 0.507 0.136 12 0 "[ . 1 . 2]"
1 82 LYS 0.493 0.138 7 0 "[ . 1 . 2]"
1 83 ASP 0.449 0.138 7 0 "[ . 1 . 2]"
1 84 LYS 0.207 0.076 16 0 "[ . 1 . 2]"
1 85 LYS 0.086 0.061 1 0 "[ . 1 . 2]"
1 86 ALA 1.307 0.320 10 0 "[ . 1 . 2]"
1 87 LYS 0.749 0.320 10 0 "[ . 1 . 2]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.558 0.190 15 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 0.446 0.191 1 0 "[ . 1 . 2]"
1 92 LEU 0.446 0.191 1 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 THR 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 9 THR H 1 9 THR MG 4.570 . 4.570 3.311 2.085 4.096 . 0 0 "[ . 1 . 2]" 1
2 1 11 ALA MB 1 12 THR H 5.410 . 5.410 3.193 1.966 3.738 . 0 0 "[ . 1 . 2]" 1
3 1 12 THR HB 1 13 ASP H 5.660 . 5.660 3.764 1.969 4.570 . 0 0 "[ . 1 . 2]" 1
4 1 12 THR MG 1 13 ASP H 4.830 . 4.830 3.573 1.890 4.401 . 0 0 "[ . 1 . 2]" 1
5 1 13 ASP HB2 1 14 THR H 5.780 . 5.780 3.899 2.120 4.599 . 0 0 "[ . 1 . 2]" 1
6 1 13 ASP HB3 1 14 THR H 5.780 . 5.780 3.773 2.254 4.372 . 0 0 "[ . 1 . 2]" 1
7 1 14 THR H 1 14 THR MG 4.740 . 4.740 3.481 2.139 4.135 . 0 0 "[ . 1 . 2]" 1
8 1 14 THR H 1 15 GLY H 5.510 . 5.510 3.706 1.687 4.753 . 0 0 "[ . 1 . 2]" 1
9 1 14 THR HA 1 14 THR MG 3.480 . 3.480 2.442 2.338 3.274 . 0 0 "[ . 1 . 2]" 1
10 1 14 THR HA 1 17 ARG QB 4.190 . 4.190 2.927 2.090 4.224 0.034 5 0 "[ . 1 . 2]" 1
11 1 14 THR HA 1 17 ARG QD 5.040 . 5.040 4.000 2.902 5.155 0.115 10 0 "[ . 1 . 2]" 1
12 1 14 THR HA 1 17 ARG QG 5.290 . 5.290 4.218 2.643 5.461 0.171 5 0 "[ . 1 . 2]" 1
13 1 14 THR HB 1 15 GLY H 4.910 . 4.910 3.031 1.803 4.384 . 0 0 "[ . 1 . 2]" 1
14 1 14 THR MG 1 18 GLU QG 4.920 . 4.920 3.480 2.041 4.978 0.058 12 0 "[ . 1 . 2]" 1
15 1 15 GLY H 1 16 LYS H 5.000 . 5.000 3.486 2.534 4.379 . 0 0 "[ . 1 . 2]" 1
16 1 15 GLY QA 1 16 LYS QB 5.640 . 5.640 4.366 3.919 4.768 . 0 0 "[ . 1 . 2]" 1
17 1 15 GLY QA 1 18 GLU H 5.220 . 5.220 3.730 3.252 4.121 . 0 0 "[ . 1 . 2]" 1
18 1 15 GLY QA 1 18 GLU QB 4.670 . 4.670 2.984 2.084 3.736 . 0 0 "[ . 1 . 2]" 1
19 1 15 GLY QA 1 18 GLU QG 5.370 . 5.370 4.140 3.133 5.519 0.149 18 0 "[ . 1 . 2]" 1
20 1 16 LYS H 1 16 LYS QB 3.690 . 3.690 2.413 2.203 2.738 . 0 0 "[ . 1 . 2]" 1
21 1 16 LYS H 1 16 LYS QD 5.080 . 5.080 3.337 1.588 4.710 . 0 0 "[ . 1 . 2]" 1
22 1 16 LYS H 1 16 LYS HG2 5.160 . 5.160 3.482 2.186 4.610 . 0 0 "[ . 1 . 2]" 1
23 1 16 LYS H 1 16 LYS QG 4.340 . 4.340 2.999 1.869 4.101 . 0 0 "[ . 1 . 2]" 1
24 1 16 LYS H 1 16 LYS HG3 5.160 . 5.160 3.659 1.882 4.674 . 0 0 "[ . 1 . 2]" 1
25 1 16 LYS H 1 17 ARG H 4.650 . 4.650 2.645 2.443 2.914 . 0 0 "[ . 1 . 2]" 1
26 1 16 LYS HA 1 16 LYS QD 3.870 . 3.870 3.265 2.029 4.228 0.358 10 0 "[ . 1 . 2]" 1
27 1 16 LYS QB 1 16 LYS QE 4.410 . 4.410 3.378 1.870 3.925 . 0 0 "[ . 1 . 2]" 1
28 1 16 LYS QB 1 17 ARG H 4.570 . 4.570 2.663 2.190 3.626 . 0 0 "[ . 1 . 2]" 1
29 1 17 ARG H 1 17 ARG QB 3.820 . 3.820 2.329 2.190 2.534 . 0 0 "[ . 1 . 2]" 1
30 1 17 ARG H 1 17 ARG HG2 5.070 . 5.070 4.120 3.154 4.670 . 0 0 "[ . 1 . 2]" 1
31 1 17 ARG H 1 17 ARG QG 4.410 . 4.410 3.449 2.179 4.087 . 0 0 "[ . 1 . 2]" 1
32 1 17 ARG H 1 17 ARG HG3 5.070 . 5.070 3.793 2.205 4.579 . 0 0 "[ . 1 . 2]" 1
33 1 17 ARG H 1 18 GLU H 4.580 . 4.580 2.637 2.451 2.801 . 0 0 "[ . 1 . 2]" 1
34 1 17 ARG HA 1 17 ARG QG 3.910 . 3.910 2.532 2.358 3.142 . 0 0 "[ . 1 . 2]" 1
35 1 17 ARG HA 1 20 GLN QB 3.800 . 3.800 3.109 2.315 3.882 0.082 15 0 "[ . 1 . 2]" 1
36 1 17 ARG QB 1 18 GLU H 4.020 . 4.020 2.686 2.443 3.026 . 0 0 "[ . 1 . 2]" 1
37 1 17 ARG QD 1 20 GLN QB 5.780 . 5.780 5.573 3.443 6.045 0.265 18 0 "[ . 1 . 2]" 1
38 1 17 ARG QD 1 21 LEU QD 5.670 . 5.670 4.045 2.635 5.462 . 0 0 "[ . 1 . 2]" 1
39 1 17 ARG QG 1 18 GLU H 4.980 . 4.980 3.940 3.317 4.613 . 0 0 "[ . 1 . 2]" 1
40 1 17 ARG HG2 1 18 GLU H 5.780 . 5.780 4.433 3.412 5.160 . 0 0 "[ . 1 . 2]" 1
41 1 17 ARG HG3 1 18 GLU H 5.780 . 5.780 4.646 3.551 5.266 . 0 0 "[ . 1 . 2]" 1
42 1 18 GLU H 1 18 GLU QB 3.820 . 3.820 2.308 2.110 2.491 . 0 0 "[ . 1 . 2]" 1
43 1 18 GLU H 1 18 GLU QG 4.300 . 4.300 3.312 2.268 4.109 . 0 0 "[ . 1 . 2]" 1
44 1 18 GLU H 1 19 LYS H 4.490 . 4.490 2.701 2.514 2.900 . 0 0 "[ . 1 . 2]" 1
45 1 18 GLU HA 1 21 LEU H 4.740 . 4.740 3.318 2.945 3.802 . 0 0 "[ . 1 . 2]" 1
46 1 18 GLU HA 1 21 LEU HB2 4.680 . 4.680 2.862 1.842 3.705 . 0 0 "[ . 1 . 2]" 1
47 1 18 GLU HA 1 21 LEU QB 3.770 . 3.770 2.237 1.809 2.783 . 0 0 "[ . 1 . 2]" 1
48 1 18 GLU HA 1 21 LEU HB3 4.680 . 4.680 2.457 1.900 3.810 . 0 0 "[ . 1 . 2]" 1
49 1 18 GLU HA 1 21 LEU MD1 4.600 . 4.600 3.327 2.052 4.365 . 0 0 "[ . 1 . 2]" 1
50 1 18 GLU HA 1 21 LEU MD2 4.600 . 4.600 3.914 2.515 4.601 0.001 9 0 "[ . 1 . 2]" 1
51 1 18 GLU HA 1 21 LEU HG 5.400 . 5.400 4.582 2.907 5.473 0.073 15 0 "[ . 1 . 2]" 1
52 1 18 GLU QB 1 19 LYS H 4.660 . 4.660 2.713 2.461 3.006 . 0 0 "[ . 1 . 2]" 1
53 1 18 GLU QG 1 19 LYS H 5.350 . 5.350 4.186 3.643 4.786 . 0 0 "[ . 1 . 2]" 1
54 1 18 GLU QG 1 21 LEU MD1 5.780 . 5.780 4.012 2.777 4.931 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLU QG 1 21 LEU MD2 5.780 . 5.780 4.423 2.879 5.980 0.200 1 0 "[ . 1 . 2]" 1
56 1 18 GLU QG 1 22 GLN H 5.780 . 5.780 5.140 3.992 5.861 0.081 9 0 "[ . 1 . 2]" 1
57 1 19 LYS H 1 19 LYS QB 3.710 . 3.710 2.426 2.172 2.628 . 0 0 "[ . 1 . 2]" 1
58 1 19 LYS H 1 19 LYS HG2 4.500 . 4.500 3.259 1.982 4.563 0.063 15 0 "[ . 1 . 2]" 1
59 1 19 LYS H 1 19 LYS HG3 4.500 . 4.500 3.162 2.064 4.571 0.071 13 0 "[ . 1 . 2]" 1
60 1 19 LYS H 1 20 GLN QG 5.610 . 5.610 4.238 3.747 4.609 . 0 0 "[ . 1 . 2]" 1
61 1 19 LYS HA 1 19 LYS HG2 4.370 . 4.370 2.900 2.554 3.905 . 0 0 "[ . 1 . 2]" 1
62 1 19 LYS HA 1 19 LYS QG 3.830 . 3.830 2.687 2.457 3.152 . 0 0 "[ . 1 . 2]" 1
63 1 19 LYS HA 1 19 LYS HG3 4.370 . 4.370 3.390 2.542 3.881 . 0 0 "[ . 1 . 2]" 1
64 1 19 LYS HA 1 22 GLN H 4.500 . 4.500 3.619 3.132 4.363 . 0 0 "[ . 1 . 2]" 1
65 1 19 LYS HA 1 22 GLN QG 4.890 . 4.890 3.215 2.106 4.848 . 0 0 "[ . 1 . 2]" 1
66 1 19 LYS QB 1 20 GLN H 4.110 . 4.110 2.509 2.343 2.858 . 0 0 "[ . 1 . 2]" 1
67 1 19 LYS QG 1 20 GLN H 5.610 . 5.610 4.053 3.285 4.692 . 0 0 "[ . 1 . 2]" 1
68 1 20 GLN H 1 20 GLN QB 3.760 . 3.760 2.497 2.362 2.738 . 0 0 "[ . 1 . 2]" 1
69 1 20 GLN H 1 20 GLN HG2 4.860 . 4.860 2.757 1.998 3.628 . 0 0 "[ . 1 . 2]" 1
70 1 20 GLN H 1 20 GLN QG 4.210 . 4.210 2.171 1.987 2.412 . 0 0 "[ . 1 . 2]" 1
71 1 20 GLN H 1 20 GLN HG3 4.860 . 4.860 2.983 2.042 3.772 . 0 0 "[ . 1 . 2]" 1
72 1 20 GLN HA 1 23 GLN QB 4.500 . 4.500 3.158 2.707 3.949 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLN QB 1 21 LEU H 4.250 . 4.250 2.732 2.551 2.890 . 0 0 "[ . 1 . 2]" 1
74 1 20 GLN QG 1 21 LEU H 5.610 . 5.610 4.024 3.679 4.265 . 0 0 "[ . 1 . 2]" 1
75 1 21 LEU H 1 21 LEU HB2 4.260 . 4.260 2.372 2.091 2.742 . 0 0 "[ . 1 . 2]" 1
76 1 21 LEU H 1 21 LEU HB3 4.260 . 4.260 2.652 2.180 3.613 . 0 0 "[ . 1 . 2]" 1
77 1 21 LEU H 1 21 LEU MD1 4.770 . 4.770 4.223 3.723 4.363 . 0 0 "[ . 1 . 2]" 1
78 1 21 LEU H 1 21 LEU QD 4.110 . 4.110 3.708 3.108 3.830 . 0 0 "[ . 1 . 2]" 1
79 1 21 LEU H 1 21 LEU MD2 4.770 . 4.770 4.135 3.330 4.367 . 0 0 "[ . 1 . 2]" 1
80 1 21 LEU H 1 21 LEU HG 5.020 . 5.020 4.341 2.394 4.538 . 0 0 "[ . 1 . 2]" 1
81 1 21 LEU H 1 22 GLN QG 5.670 . 5.670 4.276 3.739 4.625 . 0 0 "[ . 1 . 2]" 1
82 1 21 LEU HA 1 21 LEU MD1 4.260 . 4.260 3.565 2.726 3.921 . 0 0 "[ . 1 . 2]" 1
83 1 21 LEU HA 1 21 LEU QD 3.510 . 3.510 2.757 1.983 3.270 . 0 0 "[ . 1 . 2]" 1
84 1 21 LEU HA 1 21 LEU MD2 4.260 . 4.260 2.931 2.020 3.719 . 0 0 "[ . 1 . 2]" 1
85 1 21 LEU HA 1 24 TRP HB2 5.190 . 5.190 3.406 3.055 3.979 . 0 0 "[ . 1 . 2]" 1
86 1 21 LEU HA 1 24 TRP QB 4.440 . 4.440 2.490 2.156 2.949 . 0 0 "[ . 1 . 2]" 1
87 1 21 LEU HA 1 24 TRP HB3 5.190 . 5.190 2.571 2.187 3.090 . 0 0 "[ . 1 . 2]" 1
88 1 21 LEU HA 1 24 TRP HE3 5.050 . 5.050 2.809 2.294 3.580 . 0 0 "[ . 1 . 2]" 1
89 1 21 LEU QB 1 22 GLN H 4.230 . 4.230 2.756 2.474 2.993 . 0 0 "[ . 1 . 2]" 1
90 1 21 LEU QB 1 22 GLN HA 5.610 . 5.610 4.203 3.838 4.571 . 0 0 "[ . 1 . 2]" 1
91 1 21 LEU HB2 1 22 GLN H 4.880 . 4.880 3.802 2.804 4.248 . 0 0 "[ . 1 . 2]" 1
92 1 21 LEU HB3 1 22 GLN H 4.880 . 4.880 2.875 2.517 3.785 . 0 0 "[ . 1 . 2]" 1
93 1 21 LEU QD 1 24 TRP QB 4.780 . 4.780 3.505 2.538 4.161 . 0 0 "[ . 1 . 2]" 1
94 1 21 LEU QD 1 24 TRP HE3 3.750 . 3.750 2.841 1.780 3.806 0.056 15 0 "[ . 1 . 2]" 1
95 1 21 LEU QD 1 24 TRP HZ3 4.420 . 4.420 3.166 2.560 4.043 . 0 0 "[ . 1 . 2]" 1
96 1 21 LEU QD 1 25 LYS H 5.200 . 5.200 3.855 3.313 5.063 . 0 0 "[ . 1 . 2]" 1
97 1 21 LEU QD 1 25 LYS QD 4.170 . 4.170 3.386 1.985 4.197 0.027 1 0 "[ . 1 . 2]" 1
98 1 21 LEU QD 1 25 LYS QE 3.770 . 3.770 2.012 1.578 2.730 . 0 0 "[ . 1 . 2]" 1
99 1 21 LEU QD 1 53 ASN HA 3.940 . 3.940 2.117 1.866 3.067 . 0 0 "[ . 1 . 2]" 1
100 1 21 LEU QD 1 53 ASN QB 4.010 . 4.010 2.869 2.479 3.487 . 0 0 "[ . 1 . 2]" 1
101 1 21 LEU QD 1 55 SER HA 4.730 . 4.730 3.167 2.276 4.081 . 0 0 "[ . 1 . 2]" 1
102 1 21 LEU QD 1 55 SER QB 5.090 . 5.090 3.349 2.052 4.665 . 0 0 "[ . 1 . 2]" 1
103 1 21 LEU QD 1 58 LEU MD1 3.190 . 3.190 1.968 1.661 2.204 . 0 0 "[ . 1 . 2]" 1
104 1 21 LEU MD1 1 22 GLN H 5.290 . 5.290 4.726 3.728 5.126 . 0 0 "[ . 1 . 2]" 1
105 1 21 LEU MD1 1 24 TRP HE3 4.620 . 4.620 3.797 3.064 4.724 0.104 1 0 "[ . 1 . 2]" 1
106 1 21 LEU MD1 1 24 TRP HZ3 5.390 . 5.390 3.881 2.574 5.164 . 0 0 "[ . 1 . 2]" 1
107 1 21 LEU MD1 1 25 LYS HE2 5.460 . 5.460 4.228 1.724 5.481 0.021 7 0 "[ . 1 . 2]" 1
108 1 21 LEU MD1 1 25 LYS HE3 5.460 . 5.460 4.384 1.585 5.797 0.337 18 0 "[ . 1 . 2]" 1
109 1 21 LEU MD1 1 53 ASN HA 4.580 . 4.580 2.827 1.959 3.560 . 0 0 "[ . 1 . 2]" 1
110 1 21 LEU MD1 1 54 ASP H 5.780 . 5.780 4.309 3.327 5.163 . 0 0 "[ . 1 . 2]" 1
111 1 21 LEU MD1 1 58 LEU MD1 3.960 . 3.960 2.745 1.694 3.571 . 0 0 "[ . 1 . 2]" 1
112 1 21 LEU MD2 1 22 GLN H 5.290 . 5.290 3.962 3.103 4.818 . 0 0 "[ . 1 . 2]" 1
113 1 21 LEU MD2 1 24 TRP HE3 4.620 . 4.620 3.202 1.784 4.541 . 0 0 "[ . 1 . 2]" 1
114 1 21 LEU MD2 1 24 TRP HZ3 5.390 . 5.390 3.929 2.647 5.218 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU MD2 1 25 LYS HE2 5.460 . 5.460 3.101 1.767 5.521 0.061 2 0 "[ . 1 . 2]" 1
116 1 21 LEU MD2 1 25 LYS HE3 5.460 . 5.460 3.277 1.913 5.779 0.319 5 0 "[ . 1 . 2]" 1
117 1 21 LEU MD2 1 53 ASN HA 4.580 . 4.580 2.622 1.895 4.264 . 0 0 "[ . 1 . 2]" 1
118 1 21 LEU MD2 1 54 ASP H 5.780 . 5.780 4.528 3.880 5.586 . 0 0 "[ . 1 . 2]" 1
119 1 21 LEU MD2 1 58 LEU MD1 3.960 . 3.960 2.108 1.840 2.397 . 0 0 "[ . 1 . 2]" 1
120 1 21 LEU HG 1 22 GLN H 5.660 . 5.660 4.953 4.447 5.225 . 0 0 "[ . 1 . 2]" 1
121 1 21 LEU HG 1 25 LYS QE 5.450 . 5.450 4.342 3.681 4.692 . 0 0 "[ . 1 . 2]" 1
122 1 22 GLN H 1 22 GLN HB2 4.210 . 4.210 2.513 2.343 2.711 . 0 0 "[ . 1 . 2]" 1
123 1 22 GLN H 1 22 GLN HB3 4.210 . 4.210 3.637 3.584 3.691 . 0 0 "[ . 1 . 2]" 1
124 1 22 GLN H 1 22 GLN QG 4.150 . 4.150 2.384 1.894 2.679 . 0 0 "[ . 1 . 2]" 1
125 1 22 GLN H 1 23 GLN H 4.280 . 4.280 2.644 2.498 2.801 . 0 0 "[ . 1 . 2]" 1
126 1 22 GLN H 1 25 LYS QD 5.610 . 5.610 4.926 3.750 5.689 0.079 20 0 "[ . 1 . 2]" 1
127 1 22 GLN HA 1 24 TRP H 5.300 . 5.300 4.440 4.193 4.743 . 0 0 "[ . 1 . 2]" 1
128 1 22 GLN HA 1 25 LYS H 5.090 . 5.090 3.344 2.876 3.749 . 0 0 "[ . 1 . 2]" 1
129 1 22 GLN HA 1 25 LYS HB2 4.760 . 4.760 2.748 2.298 3.492 . 0 0 "[ . 1 . 2]" 1
130 1 22 GLN HA 1 25 LYS HB3 4.900 . 4.900 3.622 2.309 4.364 . 0 0 "[ . 1 . 2]" 1
131 1 22 GLN HA 1 25 LYS HD2 5.400 . 5.400 2.733 1.791 4.882 . 0 0 "[ . 1 . 2]" 1
132 1 22 GLN HA 1 25 LYS HD3 5.400 . 5.400 4.034 1.902 4.878 . 0 0 "[ . 1 . 2]" 1
133 1 22 GLN HA 1 25 LYS HG2 5.780 . 5.780 4.311 3.221 4.819 . 0 0 "[ . 1 . 2]" 1
134 1 22 GLN HA 1 25 LYS HG3 5.780 . 5.780 3.580 2.307 5.280 . 0 0 "[ . 1 . 2]" 1
135 1 23 GLN H 1 23 GLN HB2 4.050 . 4.050 2.505 2.331 2.619 . 0 0 "[ . 1 . 2]" 1
136 1 23 GLN H 1 23 GLN QB 3.550 . 3.550 2.461 2.303 2.562 . 0 0 "[ . 1 . 2]" 1
137 1 23 GLN H 1 23 GLN HB3 4.050 . 4.050 3.617 3.578 3.655 . 0 0 "[ . 1 . 2]" 1
138 1 23 GLN H 1 23 GLN HG2 4.650 . 4.650 3.387 2.318 4.036 . 0 0 "[ . 1 . 2]" 1
139 1 23 GLN H 1 23 GLN QG 4.060 . 4.060 2.306 1.923 3.525 . 0 0 "[ . 1 . 2]" 1
140 1 23 GLN H 1 23 GLN HG3 4.650 . 4.650 2.484 1.937 3.886 . 0 0 "[ . 1 . 2]" 1
141 1 23 GLN H 1 24 TRP H 4.240 . 4.240 2.633 2.472 2.752 . 0 0 "[ . 1 . 2]" 1
142 1 23 GLN HA 1 23 GLN QG 3.780 . 3.780 2.519 2.412 2.910 . 0 0 "[ . 1 . 2]" 1
143 1 23 GLN HA 1 26 ASN H 4.770 . 4.770 3.513 3.186 3.811 . 0 0 "[ . 1 . 2]" 1
144 1 23 GLN HA 1 26 ASN HB2 4.630 . 4.630 2.967 2.515 3.288 . 0 0 "[ . 1 . 2]" 1
145 1 23 GLN HA 1 26 ASN QB 3.970 . 3.970 2.928 2.492 3.228 . 0 0 "[ . 1 . 2]" 1
146 1 23 GLN HA 1 26 ASN HB3 4.630 . 4.630 4.504 4.067 4.704 0.074 4 0 "[ . 1 . 2]" 1
147 1 23 GLN HA 1 26 ASN HD21 5.010 . 5.010 2.193 1.746 2.826 . 0 0 "[ . 1 . 2]" 1
148 1 23 GLN HA 1 26 ASN HD22 5.610 . 5.610 3.288 2.766 3.810 . 0 0 "[ . 1 . 2]" 1
149 1 23 GLN QB 1 24 TRP H 4.160 . 4.160 2.560 2.352 2.818 . 0 0 "[ . 1 . 2]" 1
150 1 23 GLN HB2 1 24 TRP H 4.740 . 4.740 2.618 2.386 2.938 . 0 0 "[ . 1 . 2]" 1
151 1 23 GLN HB3 1 24 TRP H 4.740 . 4.740 3.642 3.506 3.748 . 0 0 "[ . 1 . 2]" 1
152 1 23 GLN QG 1 26 ASN HD21 4.830 . 4.830 3.762 2.981 4.299 . 0 0 "[ . 1 . 2]" 1
153 1 23 GLN QG 1 26 ASN HD22 4.690 . 4.690 4.404 3.612 4.807 0.117 3 0 "[ . 1 . 2]" 1
154 1 23 GLN HG2 1 24 TRP H 5.780 . 5.780 4.952 4.332 5.309 . 0 0 "[ . 1 . 2]" 1
155 1 23 GLN HG3 1 24 TRP H 5.780 . 5.780 4.402 4.056 5.230 . 0 0 "[ . 1 . 2]" 1
156 1 24 TRP H 1 24 TRP HB2 4.300 . 4.300 2.575 2.448 2.746 . 0 0 "[ . 1 . 2]" 1
157 1 24 TRP H 1 24 TRP HB3 4.300 . 4.300 2.473 2.326 2.594 . 0 0 "[ . 1 . 2]" 1
158 1 24 TRP H 1 24 TRP HE3 5.490 . 5.490 4.818 4.635 5.006 . 0 0 "[ . 1 . 2]" 1
159 1 24 TRP H 1 25 LYS H 4.510 . 4.510 2.650 2.535 2.738 . 0 0 "[ . 1 . 2]" 1
160 1 24 TRP HA 1 24 TRP HD1 3.630 . 3.630 2.450 2.297 2.599 . 0 0 "[ . 1 . 2]" 1
161 1 24 TRP HA 1 24 TRP HE1 5.530 . 5.530 4.935 4.798 5.060 . 0 0 "[ . 1 . 2]" 1
162 1 24 TRP HA 1 27 ASN HB2 5.620 . 5.620 2.731 2.063 3.609 . 0 0 "[ . 1 . 2]" 1
163 1 24 TRP HA 1 27 ASN QB 4.800 . 4.800 2.701 2.052 3.529 . 0 0 "[ . 1 . 2]" 1
164 1 24 TRP HA 1 27 ASN HB3 5.620 . 5.620 4.292 3.637 5.055 . 0 0 "[ . 1 . 2]" 1
165 1 24 TRP QB 1 25 LYS H 4.460 . 4.460 2.683 2.490 2.835 . 0 0 "[ . 1 . 2]" 1
166 1 24 TRP HB2 1 25 LYS H 5.150 . 5.150 3.983 3.861 4.097 . 0 0 "[ . 1 . 2]" 1
167 1 24 TRP HB3 1 25 LYS H 5.150 . 5.150 2.727 2.521 2.893 . 0 0 "[ . 1 . 2]" 1
168 1 24 TRP HD1 1 27 ASN H 4.580 . 4.580 4.651 4.470 4.760 0.180 20 0 "[ . 1 . 2]" 1
169 1 24 TRP HD1 1 27 ASN HB2 4.920 . 4.920 2.860 2.499 3.335 . 0 0 "[ . 1 . 2]" 1
170 1 24 TRP HD1 1 27 ASN QB 4.140 . 4.140 2.802 2.446 3.266 . 0 0 "[ . 1 . 2]" 1
171 1 24 TRP HD1 1 27 ASN HB3 4.920 . 4.920 4.034 3.407 4.786 . 0 0 "[ . 1 . 2]" 1
172 1 24 TRP HD1 1 28 LEU H 5.180 . 5.180 4.012 3.466 4.400 . 0 0 "[ . 1 . 2]" 1
173 1 24 TRP HD1 1 28 LEU HA 5.610 . 5.610 5.261 4.792 5.681 0.071 4 0 "[ . 1 . 2]" 1
174 1 24 TRP HD1 1 28 LEU MD1 4.760 . 4.760 3.923 3.343 4.786 0.026 18 0 "[ . 1 . 2]" 1
175 1 24 TRP HD1 1 28 LEU QD 4.020 . 4.020 3.054 2.216 3.454 . 0 0 "[ . 1 . 2]" 1
176 1 24 TRP HD1 1 28 LEU MD2 4.760 . 4.760 3.222 2.220 3.648 . 0 0 "[ . 1 . 2]" 1
177 1 24 TRP HD1 1 28 LEU HG 4.260 . 4.260 3.064 2.247 4.368 0.108 18 0 "[ . 1 . 2]" 1
178 1 24 TRP HD1 1 58 LEU MD1 5.730 . 5.730 5.587 4.354 5.867 0.137 7 0 "[ . 1 . 2]" 1
179 1 24 TRP HE1 1 28 LEU MD1 4.940 . 4.940 3.090 2.555 3.743 . 0 0 "[ . 1 . 2]" 1
180 1 24 TRP HE1 1 28 LEU QD 3.920 . 3.920 2.048 1.901 2.232 . 0 0 "[ . 1 . 2]" 1
181 1 24 TRP HE1 1 28 LEU MD2 4.940 . 4.940 2.093 1.932 2.407 . 0 0 "[ . 1 . 2]" 1
182 1 24 TRP HE1 1 28 LEU HG 5.130 . 5.130 3.365 3.024 3.866 . 0 0 "[ . 1 . 2]" 1
183 1 24 TRP HE1 1 59 LEU MD2 5.340 . 5.340 4.248 3.667 4.799 . 0 0 "[ . 1 . 2]" 1
184 1 24 TRP HE3 1 58 LEU MD1 5.090 . 5.090 3.006 2.785 3.279 . 0 0 "[ . 1 . 2]" 1
185 1 24 TRP HH2 1 55 SER HA 4.990 . 4.990 3.184 2.422 3.871 . 0 0 "[ . 1 . 2]" 1
186 1 24 TRP HH2 1 55 SER QB 4.570 . 4.570 3.579 2.578 4.462 . 0 0 "[ . 1 . 2]" 1
187 1 24 TRP HH2 1 58 LEU HB2 5.210 . 5.210 2.815 2.605 3.381 . 0 0 "[ . 1 . 2]" 1
188 1 24 TRP HH2 1 58 LEU QB 4.560 . 4.560 2.702 2.539 3.203 . 0 0 "[ . 1 . 2]" 1
189 1 24 TRP HH2 1 58 LEU HB3 5.210 . 5.210 3.538 3.216 3.970 . 0 0 "[ . 1 . 2]" 1
190 1 24 TRP HH2 1 59 LEU H 5.010 . 5.010 3.163 2.784 4.013 . 0 0 "[ . 1 . 2]" 1
191 1 24 TRP HH2 1 59 LEU HA 5.310 . 5.310 3.782 2.827 4.996 . 0 0 "[ . 1 . 2]" 1
192 1 24 TRP HH2 1 59 LEU HB2 5.780 . 5.780 4.422 3.937 5.276 . 0 0 "[ . 1 . 2]" 1
193 1 24 TRP HH2 1 59 LEU MD1 4.770 . 4.770 3.613 3.373 3.870 . 0 0 "[ . 1 . 2]" 1
194 1 24 TRP HH2 1 59 LEU MD2 4.600 . 4.600 2.667 2.251 3.174 . 0 0 "[ . 1 . 2]" 1
195 1 24 TRP HH2 1 59 LEU HG 4.530 . 4.530 2.180 1.856 2.859 . 0 0 "[ . 1 . 2]" 1
196 1 24 TRP HZ2 1 28 LEU QD 4.980 . 4.980 3.117 2.762 3.870 . 0 0 "[ . 1 . 2]" 1
197 1 24 TRP HZ2 1 58 LEU QB 5.060 . 5.060 3.506 3.156 3.851 . 0 0 "[ . 1 . 2]" 1
198 1 24 TRP HZ2 1 59 LEU HA 5.110 . 5.110 3.138 2.660 4.084 . 0 0 "[ . 1 . 2]" 1
199 1 24 TRP HZ2 1 59 LEU MD1 4.980 . 4.980 4.583 4.053 4.994 0.014 13 0 "[ . 1 . 2]" 1
200 1 24 TRP HZ2 1 59 LEU MD2 4.210 . 4.210 2.118 1.985 2.412 . 0 0 "[ . 1 . 2]" 1
201 1 24 TRP HZ2 1 59 LEU HG 4.570 . 4.570 3.496 2.590 3.890 . 0 0 "[ . 1 . 2]" 1
202 1 24 TRP HZ2 1 62 GLU QB 5.610 . 5.610 3.720 3.036 5.086 . 0 0 "[ . 1 . 2]" 1
203 1 24 TRP HZ2 1 62 GLU QG 5.780 . 5.780 4.507 2.884 5.550 . 0 0 "[ . 1 . 2]" 1
204 1 24 TRP HZ3 1 55 SER HA 4.860 . 4.860 2.149 1.821 2.681 . 0 0 "[ . 1 . 2]" 1
205 1 24 TRP HZ3 1 55 SER HB2 5.530 . 5.530 3.398 2.116 4.462 . 0 0 "[ . 1 . 2]" 1
206 1 24 TRP HZ3 1 55 SER QB 4.770 . 4.770 2.797 2.065 3.760 . 0 0 "[ . 1 . 2]" 1
207 1 24 TRP HZ3 1 55 SER HB3 5.530 . 5.530 3.339 2.256 5.123 . 0 0 "[ . 1 . 2]" 1
208 1 24 TRP HZ3 1 58 LEU QB 5.290 . 5.290 3.040 2.624 3.672 . 0 0 "[ . 1 . 2]" 1
209 1 24 TRP HZ3 1 58 LEU MD1 4.950 . 4.950 2.812 2.422 3.774 . 0 0 "[ . 1 . 2]" 1
210 1 25 LYS H 1 25 LYS HD2 5.580 . 5.580 4.322 2.684 4.932 . 0 0 "[ . 1 . 2]" 1
211 1 25 LYS H 1 25 LYS QD 4.910 . 4.910 4.072 2.196 4.614 . 0 0 "[ . 1 . 2]" 1
212 1 25 LYS H 1 25 LYS HD3 5.580 . 5.580 5.056 2.331 5.837 0.257 15 0 "[ . 1 . 2]" 1
213 1 25 LYS H 1 25 LYS HG2 5.040 . 5.040 3.861 3.109 4.494 . 0 0 "[ . 1 . 2]" 1
214 1 25 LYS H 1 25 LYS QG 4.340 . 4.340 2.942 2.340 3.947 . 0 0 "[ . 1 . 2]" 1
215 1 25 LYS H 1 25 LYS HG3 5.040 . 5.040 3.148 2.401 4.509 . 0 0 "[ . 1 . 2]" 1
216 1 25 LYS H 1 26 ASN H 4.560 . 4.560 2.741 2.548 2.856 . 0 0 "[ . 1 . 2]" 1
217 1 25 LYS H 1 49 ILE MG 5.310 . 5.310 4.460 4.180 4.921 . 0 0 "[ . 1 . 2]" 1
218 1 25 LYS HA 1 28 LEU H 5.470 . 5.470 3.647 3.214 3.837 . 0 0 "[ . 1 . 2]" 1
219 1 25 LYS HA 1 28 LEU HB3 5.460 . 5.460 4.577 3.901 4.963 . 0 0 "[ . 1 . 2]" 1
220 1 25 LYS HA 1 28 LEU QD 4.680 . 4.680 2.813 1.883 3.278 . 0 0 "[ . 1 . 2]" 1
221 1 25 LYS HA 1 28 LEU HG 5.780 . 5.780 3.528 2.380 4.190 . 0 0 "[ . 1 . 2]" 1
222 1 25 LYS HA 1 49 ILE MG 4.370 . 4.370 2.328 2.046 2.787 . 0 0 "[ . 1 . 2]" 1
223 1 25 LYS HB2 1 26 ASN H 4.700 . 4.700 2.945 2.417 3.986 . 0 0 "[ . 1 . 2]" 1
224 1 25 LYS HB2 1 49 ILE MG 5.750 . 5.750 3.705 3.383 4.056 . 0 0 "[ . 1 . 2]" 1
225 1 25 LYS HB3 1 26 ASN H 4.980 . 4.980 3.160 2.211 3.826 . 0 0 "[ . 1 . 2]" 1
226 1 25 LYS HB3 1 29 LYS QE 5.550 . 5.550 3.778 1.832 5.706 0.156 3 0 "[ . 1 . 2]" 1
227 1 25 LYS HB3 1 49 ILE MG 4.490 . 4.490 2.977 2.147 4.199 . 0 0 "[ . 1 . 2]" 1
228 1 25 LYS QD 1 26 ASN H 5.610 . 5.610 4.617 4.055 5.547 . 0 0 "[ . 1 . 2]" 1
229 1 25 LYS QD 1 49 ILE MG 4.280 . 4.280 3.327 2.248 3.767 . 0 0 "[ . 1 . 2]" 1
230 1 25 LYS QD 1 50 ASP HA 4.820 . 4.820 2.329 1.602 4.761 . 0 0 "[ . 1 . 2]" 1
231 1 25 LYS HD2 1 49 ILE MG 5.090 . 5.090 4.237 2.273 4.703 . 0 0 "[ . 1 . 2]" 1
232 1 25 LYS HD2 1 50 ASP HA 5.600 . 5.600 3.806 2.889 5.283 . 0 0 "[ . 1 . 2]" 1
233 1 25 LYS HD2 1 58 LEU MD1 5.780 . 5.780 4.755 2.760 5.777 . 0 0 "[ . 1 . 2]" 1
234 1 25 LYS HD3 1 49 ILE MG 5.090 . 5.090 3.601 2.826 4.320 . 0 0 "[ . 1 . 2]" 1
235 1 25 LYS HD3 1 50 ASP HA 5.600 . 5.600 2.512 1.605 5.410 . 0 0 "[ . 1 . 2]" 1
236 1 25 LYS HD3 1 58 LEU MD1 5.780 . 5.780 4.635 1.906 5.703 . 0 0 "[ . 1 . 2]" 1
237 1 25 LYS QE 1 49 ILE MG 4.470 . 4.470 3.909 2.959 4.516 0.046 5 0 "[ . 1 . 2]" 1
238 1 25 LYS QE 1 50 ASP HA 5.370 . 5.370 3.437 2.623 4.530 . 0 0 "[ . 1 . 2]" 1
239 1 25 LYS QE 1 58 LEU MD2 4.810 . 4.810 3.866 2.787 4.828 0.018 19 0 "[ . 1 . 2]" 1
240 1 25 LYS HE2 1 49 ILE MG 5.100 . 5.100 4.212 3.027 5.126 0.026 20 0 "[ . 1 . 2]" 1
241 1 25 LYS HE2 1 58 LEU MD1 5.290 . 5.290 3.381 2.688 3.983 . 0 0 "[ . 1 . 2]" 1
242 1 25 LYS HE3 1 49 ILE MG 5.100 . 5.100 4.812 3.573 5.304 0.204 9 0 "[ . 1 . 2]" 1
243 1 25 LYS HE3 1 58 LEU MD1 5.290 . 5.290 4.037 2.916 5.126 . 0 0 "[ . 1 . 2]" 1
244 1 25 LYS QG 1 49 ILE MG 4.180 . 4.180 2.108 1.609 2.690 . 0 0 "[ . 1 . 2]" 1
245 1 26 ASN H 1 26 ASN HB2 4.350 . 4.350 2.510 2.423 2.641 . 0 0 "[ . 1 . 2]" 1
246 1 26 ASN H 1 26 ASN QB 3.730 . 3.730 2.466 2.389 2.580 . 0 0 "[ . 1 . 2]" 1
247 1 26 ASN H 1 26 ASN HB3 4.350 . 4.350 3.616 3.594 3.650 . 0 0 "[ . 1 . 2]" 1
248 1 26 ASN H 1 27 ASN H 4.180 . 4.180 2.732 2.609 2.842 . 0 0 "[ . 1 . 2]" 1
249 1 26 ASN HA 1 26 ASN HD22 5.490 . 5.490 4.648 4.284 4.806 . 0 0 "[ . 1 . 2]" 1
250 1 26 ASN HA 1 29 LYS H 5.060 . 5.060 3.740 3.547 4.092 . 0 0 "[ . 1 . 2]" 1
251 1 26 ASN HA 1 29 LYS HB2 5.780 . 5.780 2.934 2.391 4.062 . 0 0 "[ . 1 . 2]" 1
252 1 26 ASN HA 1 29 LYS HB3 5.780 . 5.780 4.513 3.665 5.782 0.002 20 0 "[ . 1 . 2]" 1
253 1 26 ASN HA 1 29 LYS HD2 5.780 . 5.780 4.656 3.787 5.904 0.124 13 0 "[ . 1 . 2]" 1
254 1 26 ASN HA 1 29 LYS HD3 5.780 . 5.780 3.733 2.107 5.304 . 0 0 "[ . 1 . 2]" 1
255 1 26 ASN HA 1 29 LYS HE2 5.040 . 5.040 3.251 2.227 5.025 . 0 0 "[ . 1 . 2]" 1
256 1 26 ASN HA 1 29 LYS QE 4.200 . 4.200 2.682 1.736 3.864 . 0 0 "[ . 1 . 2]" 1
257 1 26 ASN HA 1 29 LYS HE3 5.040 . 5.040 3.074 1.760 5.063 0.023 3 0 "[ . 1 . 2]" 1
258 1 26 ASN HA 1 30 ASN H 5.620 . 5.620 4.230 3.989 4.815 . 0 0 "[ . 1 . 2]" 1
259 1 26 ASN HB2 1 27 ASN H 4.680 . 4.680 2.676 2.512 2.840 . 0 0 "[ . 1 . 2]" 1
260 1 26 ASN HB3 1 27 ASN H 4.680 . 4.680 3.668 3.542 3.856 . 0 0 "[ . 1 . 2]" 1
261 1 27 ASN H 1 28 LEU H 4.430 . 4.430 2.692 2.514 2.790 . 0 0 "[ . 1 . 2]" 1
262 1 27 ASN H 1 28 LEU QD 5.710 . 5.710 4.740 3.909 4.963 . 0 0 "[ . 1 . 2]" 1
263 1 27 ASN HA 1 30 ASN H 5.010 . 5.010 3.670 3.272 3.949 . 0 0 "[ . 1 . 2]" 1
264 1 27 ASN HA 1 30 ASN QB 3.970 . 3.970 2.795 2.315 3.159 . 0 0 "[ . 1 . 2]" 1
265 1 27 ASN HA 1 30 ASN HD21 5.220 . 5.220 2.850 1.875 4.553 . 0 0 "[ . 1 . 2]" 1
266 1 27 ASN QB 1 28 LEU HA 5.020 . 5.020 3.871 3.728 4.008 . 0 0 "[ . 1 . 2]" 1
267 1 27 ASN QB 1 28 LEU QD 4.750 . 4.750 3.404 2.504 3.739 . 0 0 "[ . 1 . 2]" 1
268 1 27 ASN HB2 1 28 LEU H 5.470 . 5.470 2.579 2.371 2.874 . 0 0 "[ . 1 . 2]" 1
269 1 27 ASN HB3 1 28 LEU H 5.470 . 5.470 3.537 3.350 3.873 . 0 0 "[ . 1 . 2]" 1
270 1 27 ASN HD21 1 30 ASN QB 5.200 . 5.200 4.577 3.861 5.316 0.116 12 0 "[ . 1 . 2]" 1
271 1 28 LEU H 1 28 LEU MD1 5.170 . 5.170 3.766 3.477 4.045 . 0 0 "[ . 1 . 2]" 1
272 1 28 LEU H 1 28 LEU QD 4.470 . 4.470 3.028 2.335 3.221 . 0 0 "[ . 1 . 2]" 1
273 1 28 LEU H 1 28 LEU MD2 5.170 . 5.170 3.215 2.350 3.530 . 0 0 "[ . 1 . 2]" 1
274 1 28 LEU H 1 28 LEU HG 4.800 . 4.800 2.463 2.144 3.954 . 0 0 "[ . 1 . 2]" 1
275 1 28 LEU H 1 29 LYS H 5.010 . 5.010 2.760 2.617 2.984 . 0 0 "[ . 1 . 2]" 1
276 1 28 LEU HA 1 28 LEU QD 3.780 . 3.780 2.050 1.991 2.216 . 0 0 "[ . 1 . 2]" 1
277 1 28 LEU HA 1 31 ASP H 5.090 . 5.090 3.607 3.286 3.816 . 0 0 "[ . 1 . 2]" 1
278 1 28 LEU HA 1 31 ASP HB2 5.070 . 5.070 2.852 2.369 3.240 . 0 0 "[ . 1 . 2]" 1
279 1 28 LEU HA 1 31 ASP HB3 5.410 . 5.410 4.471 3.993 4.914 . 0 0 "[ . 1 . 2]" 1
280 1 28 LEU HA 1 32 VAL H 5.720 . 5.720 4.210 3.893 4.727 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU HA 1 62 GLU QG 5.420 . 5.420 4.613 4.051 5.286 . 0 0 "[ . 1 . 2]" 1
282 1 28 LEU HB2 1 29 LYS H 4.370 . 4.370 2.577 2.395 2.803 . 0 0 "[ . 1 . 2]" 1
283 1 28 LEU HB2 1 32 VAL MG2 4.920 . 4.920 4.442 4.265 4.748 . 0 0 "[ . 1 . 2]" 1
284 1 28 LEU HB2 1 49 ILE MD 5.780 . 5.780 2.393 2.146 2.872 . 0 0 "[ . 1 . 2]" 1
285 1 28 LEU HB2 1 49 ILE MG 3.980 . 3.980 2.186 1.933 2.724 . 0 0 "[ . 1 . 2]" 1
286 1 28 LEU HB2 1 58 LEU MD2 5.210 . 5.210 4.427 3.976 5.038 . 0 0 "[ . 1 . 2]" 1
287 1 28 LEU HB3 1 29 LYS H 5.540 . 5.540 3.538 3.173 3.787 . 0 0 "[ . 1 . 2]" 1
288 1 28 LEU HB3 1 49 ILE MD 4.740 . 4.740 2.000 1.644 2.309 . 0 0 "[ . 1 . 2]" 1
289 1 28 LEU HB3 1 65 PHE QE 5.780 . 5.780 3.670 2.441 4.940 . 0 0 "[ . 1 . 2]" 1
290 1 28 LEU QD 1 29 LYS H 4.970 . 4.970 4.103 3.998 4.204 . 0 0 "[ . 1 . 2]" 1
291 1 28 LEU QD 1 31 ASP HB2 5.450 . 5.450 3.907 3.323 4.444 . 0 0 "[ . 1 . 2]" 1
292 1 28 LEU QD 1 31 ASP HB3 5.710 . 5.710 4.886 4.135 5.480 . 0 0 "[ . 1 . 2]" 1
293 1 28 LEU QD 1 49 ILE MD 4.410 . 4.410 2.869 2.503 3.155 . 0 0 "[ . 1 . 2]" 1
294 1 28 LEU QD 1 49 ILE MG 4.490 . 4.490 2.304 2.038 3.735 . 0 0 "[ . 1 . 2]" 1
295 1 28 LEU QD 1 58 LEU QB 4.780 . 4.780 2.469 1.964 4.326 . 0 0 "[ . 1 . 2]" 1
296 1 28 LEU QD 1 58 LEU MD1 4.650 . 4.650 2.938 2.304 4.541 . 0 0 "[ . 1 . 2]" 1
297 1 28 LEU QD 1 58 LEU MD2 4.230 . 4.230 2.532 2.153 4.264 0.034 18 0 "[ . 1 . 2]" 1
298 1 28 LEU QD 1 62 GLU HA 4.870 . 4.870 3.056 2.552 3.806 . 0 0 "[ . 1 . 2]" 1
299 1 28 LEU QD 1 62 GLU QB 3.970 . 3.970 2.386 2.132 3.383 . 0 0 "[ . 1 . 2]" 1
300 1 28 LEU QD 1 62 GLU QG 4.370 . 4.370 2.225 1.816 2.722 . 0 0 "[ . 1 . 2]" 1
301 1 28 LEU QD 1 65 PHE QD 5.290 . 5.290 3.824 2.294 4.978 . 0 0 "[ . 1 . 2]" 1
302 1 28 LEU QD 1 65 PHE QE 4.180 . 4.180 2.576 1.792 3.509 . 0 0 "[ . 1 . 2]" 1
303 1 28 LEU QD 1 65 PHE HZ 5.310 . 5.310 3.719 2.509 5.061 . 0 0 "[ . 1 . 2]" 1
304 1 28 LEU QD 1 66 ASN QD 5.440 . 5.440 4.300 3.131 5.378 . 0 0 "[ . 1 . 2]" 1
305 1 28 LEU MD1 1 29 LYS H 5.640 . 5.640 4.567 4.363 4.742 . 0 0 "[ . 1 . 2]" 1
306 1 28 LEU MD1 1 62 GLU H 5.780 . 5.780 3.983 3.509 4.764 . 0 0 "[ . 1 . 2]" 1
307 1 28 LEU MD1 1 62 GLU HA 5.780 . 5.780 3.956 2.637 5.174 . 0 0 "[ . 1 . 2]" 1
308 1 28 LEU MD1 1 62 GLU QG 5.640 . 5.640 3.732 1.950 4.646 . 0 0 "[ . 1 . 2]" 1
309 1 28 LEU MD1 1 65 PHE QE 5.380 . 5.380 4.144 2.406 5.432 0.052 3 0 "[ . 1 . 2]" 1
310 1 28 LEU MD2 1 29 LYS H 5.640 . 5.640 4.657 4.348 4.825 . 0 0 "[ . 1 . 2]" 1
311 1 28 LEU MD2 1 62 GLU H 5.780 . 5.780 4.481 3.820 5.840 0.060 18 0 "[ . 1 . 2]" 1
312 1 28 LEU MD2 1 62 GLU HA 5.780 . 5.780 3.308 2.576 4.847 . 0 0 "[ . 1 . 2]" 1
313 1 28 LEU MD2 1 62 GLU QG 5.640 . 5.640 2.312 1.850 3.332 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU MD2 1 65 PHE QE 5.380 . 5.380 2.690 1.799 4.121 . 0 0 "[ . 1 . 2]" 1
315 1 28 LEU HG 1 29 LYS H 5.630 . 5.630 4.445 4.235 5.101 . 0 0 "[ . 1 . 2]" 1
316 1 28 LEU HG 1 49 ILE MD 5.030 . 5.030 4.277 3.122 4.625 . 0 0 "[ . 1 . 2]" 1
317 1 28 LEU HG 1 49 ILE MG 4.220 . 4.220 3.800 3.479 4.153 . 0 0 "[ . 1 . 2]" 1
318 1 29 LYS H 1 29 LYS HD2 5.780 . 5.780 4.611 3.838 4.885 . 0 0 "[ . 1 . 2]" 1
319 1 29 LYS H 1 29 LYS QD 4.880 . 4.880 3.549 2.156 4.309 . 0 0 "[ . 1 . 2]" 1
320 1 29 LYS H 1 29 LYS HD3 5.780 . 5.780 3.768 2.168 4.795 . 0 0 "[ . 1 . 2]" 1
321 1 29 LYS H 1 29 LYS QE 5.310 . 5.310 3.857 3.018 4.878 . 0 0 "[ . 1 . 2]" 1
322 1 29 LYS H 1 29 LYS HG2 5.350 . 5.350 3.801 3.428 4.486 . 0 0 "[ . 1 . 2]" 1
323 1 29 LYS H 1 29 LYS QG 4.630 . 4.630 2.600 2.236 3.936 . 0 0 "[ . 1 . 2]" 1
324 1 29 LYS H 1 29 LYS HG3 5.350 . 5.350 2.667 2.266 4.357 . 0 0 "[ . 1 . 2]" 1
325 1 29 LYS H 1 30 ASN H 4.380 . 4.380 2.688 2.595 2.769 . 0 0 "[ . 1 . 2]" 1
326 1 29 LYS H 1 30 ASN QB 5.150 . 5.150 4.661 4.533 4.822 . 0 0 "[ . 1 . 2]" 1
327 1 29 LYS H 1 49 ILE MD 4.980 . 4.980 3.318 3.034 3.805 . 0 0 "[ . 1 . 2]" 1
328 1 29 LYS H 1 49 ILE MG 5.240 . 5.240 3.237 3.048 3.739 . 0 0 "[ . 1 . 2]" 1
329 1 29 LYS HA 1 32 VAL H 4.970 . 4.970 3.444 3.138 3.837 . 0 0 "[ . 1 . 2]" 1
330 1 29 LYS HA 1 32 VAL HB 4.540 . 4.540 2.551 2.178 3.103 . 0 0 "[ . 1 . 2]" 1
331 1 29 LYS HA 1 32 VAL MG1 4.800 . 4.800 3.861 3.493 4.481 . 0 0 "[ . 1 . 2]" 1
332 1 29 LYS HA 1 32 VAL MG2 4.350 . 4.350 2.844 2.329 3.364 . 0 0 "[ . 1 . 2]" 1
333 1 29 LYS HA 1 49 ILE MD 4.730 . 4.730 2.919 2.529 3.454 . 0 0 "[ . 1 . 2]" 1
334 1 29 LYS QB 1 29 LYS QE 3.930 . 3.930 2.031 1.912 2.165 . 0 0 "[ . 1 . 2]" 1
335 1 29 LYS QB 1 30 ASN H 4.500 . 4.500 2.722 2.484 2.892 . 0 0 "[ . 1 . 2]" 1
336 1 29 LYS HB2 1 29 LYS HE2 5.270 . 5.270 3.308 1.989 4.198 . 0 0 "[ . 1 . 2]" 1
337 1 29 LYS HB2 1 29 LYS HE3 5.270 . 5.270 2.396 1.933 3.469 . 0 0 "[ . 1 . 2]" 1
338 1 29 LYS HB2 1 30 ASN H 5.350 . 5.350 2.822 2.540 3.251 . 0 0 "[ . 1 . 2]" 1
339 1 29 LYS HB3 1 29 LYS HE2 5.270 . 5.270 3.988 2.367 5.059 . 0 0 "[ . 1 . 2]" 1
340 1 29 LYS HB3 1 29 LYS HE3 5.270 . 5.270 2.884 2.202 3.795 . 0 0 "[ . 1 . 2]" 1
341 1 29 LYS HB3 1 30 ASN H 5.350 . 5.350 3.660 3.077 3.830 . 0 0 "[ . 1 . 2]" 1
342 1 29 LYS QD 1 46 LYS HA 5.090 . 5.090 3.631 2.381 4.744 . 0 0 "[ . 1 . 2]" 1
343 1 29 LYS QD 1 50 ASP HA 5.610 . 5.610 3.969 3.382 4.987 . 0 0 "[ . 1 . 2]" 1
344 1 29 LYS HD2 1 46 LYS HA 5.780 . 5.780 3.916 2.799 5.057 . 0 0 "[ . 1 . 2]" 1
345 1 29 LYS HD2 1 49 ILE MG 5.500 . 5.500 3.504 2.475 4.551 . 0 0 "[ . 1 . 2]" 1
346 1 29 LYS HD3 1 46 LYS HA 5.780 . 5.780 4.413 2.578 5.866 0.086 18 0 "[ . 1 . 2]" 1
347 1 29 LYS HD3 1 49 ILE MG 5.500 . 5.500 3.093 2.176 3.973 . 0 0 "[ . 1 . 2]" 1
348 1 29 LYS QE 1 49 ILE MG 5.060 . 5.060 3.808 2.153 4.827 . 0 0 "[ . 1 . 2]" 1
349 1 29 LYS HE2 1 49 ILE MG 5.780 . 5.780 4.104 2.232 5.391 . 0 0 "[ . 1 . 2]" 1
350 1 29 LYS HE3 1 49 ILE MG 5.780 . 5.780 4.650 2.830 5.447 . 0 0 "[ . 1 . 2]" 1
351 1 29 LYS QG 1 46 LYS HA 5.290 . 5.290 2.277 1.874 3.612 . 0 0 "[ . 1 . 2]" 1
352 1 29 LYS QG 1 46 LYS QE 5.440 . 5.440 4.681 3.560 5.485 0.045 18 0 "[ . 1 . 2]" 1
353 1 29 LYS QG 1 49 ILE MG 5.610 . 5.610 2.531 2.037 4.556 . 0 0 "[ . 1 . 2]" 1
354 1 29 LYS HG2 1 49 ILE MD 5.780 . 5.780 3.305 2.370 5.088 . 0 0 "[ . 1 . 2]" 1
355 1 29 LYS HG3 1 49 ILE MD 5.780 . 5.780 2.921 2.323 4.301 . 0 0 "[ . 1 . 2]" 1
356 1 30 ASN H 1 30 ASN QB 3.730 . 3.730 2.400 2.295 2.519 . 0 0 "[ . 1 . 2]" 1
357 1 30 ASN H 1 31 ASP H 4.290 . 4.290 2.672 2.532 2.790 . 0 0 "[ . 1 . 2]" 1
358 1 30 ASN HA 1 33 ASP H 4.920 . 4.920 3.558 3.184 3.745 . 0 0 "[ . 1 . 2]" 1
359 1 30 ASN HA 1 33 ASP HB2 4.580 . 4.580 3.559 2.564 3.980 . 0 0 "[ . 1 . 2]" 1
360 1 30 ASN HA 1 33 ASP QB 3.910 . 3.910 2.799 2.464 3.171 . 0 0 "[ . 1 . 2]" 1
361 1 30 ASN HA 1 33 ASP HB3 4.580 . 4.580 3.141 2.524 4.667 0.087 15 0 "[ . 1 . 2]" 1
362 1 30 ASN QB 1 31 ASP H 4.120 . 4.120 2.547 2.374 2.783 . 0 0 "[ . 1 . 2]" 1
363 1 31 ASP H 1 32 VAL H 4.540 . 4.540 2.715 2.584 2.858 . 0 0 "[ . 1 . 2]" 1
364 1 31 ASP HA 1 32 VAL HA 5.440 . 5.440 4.900 4.832 4.947 . 0 0 "[ . 1 . 2]" 1
365 1 31 ASP HA 1 32 VAL MG2 5.780 . 5.780 5.139 5.039 5.240 . 0 0 "[ . 1 . 2]" 1
366 1 31 ASP HA 1 34 ASN H 4.630 . 4.630 3.209 2.832 3.419 . 0 0 "[ . 1 . 2]" 1
367 1 31 ASP HA 1 34 ASN HB2 4.190 . 4.190 2.377 2.008 2.709 . 0 0 "[ . 1 . 2]" 1
368 1 31 ASP HA 1 34 ASN HB3 4.730 . 4.730 4.020 3.636 4.360 . 0 0 "[ . 1 . 2]" 1
369 1 31 ASP HA 1 34 ASN HD21 4.890 . 4.890 2.565 1.891 3.331 . 0 0 "[ . 1 . 2]" 1
370 1 31 ASP HA 1 34 ASN HD22 5.580 . 5.580 3.983 3.171 5.002 . 0 0 "[ . 1 . 2]" 1
371 1 31 ASP HA 1 35 THR H 5.470 . 5.470 4.092 3.949 4.231 . 0 0 "[ . 1 . 2]" 1
372 1 31 ASP HA 1 35 THR MG 4.830 . 4.830 3.712 3.409 3.970 . 0 0 "[ . 1 . 2]" 1
373 1 31 ASP HB2 1 32 VAL H 4.350 . 4.350 2.723 2.474 3.003 . 0 0 "[ . 1 . 2]" 1
374 1 31 ASP HB2 1 49 ILE MD 5.740 . 5.740 5.236 4.919 5.530 . 0 0 "[ . 1 . 2]" 1
375 1 31 ASP HB2 1 65 PHE QE 5.350 . 5.350 3.083 2.608 3.464 . 0 0 "[ . 1 . 2]" 1
376 1 31 ASP HB2 1 65 PHE HZ 5.410 . 5.410 2.517 1.969 3.063 . 0 0 "[ . 1 . 2]" 1
377 1 31 ASP HB3 1 32 VAL H 5.050 . 5.050 3.566 3.301 3.832 . 0 0 "[ . 1 . 2]" 1
378 1 31 ASP HB3 1 65 PHE QE 5.150 . 5.150 2.319 1.779 2.752 . 0 0 "[ . 1 . 2]" 1
379 1 31 ASP HB3 1 65 PHE HZ 5.350 . 5.350 2.429 1.756 3.204 . 0 0 "[ . 1 . 2]" 1
380 1 32 VAL H 1 32 VAL HB 4.240 . 4.240 2.509 2.392 2.685 . 0 0 "[ . 1 . 2]" 1
381 1 32 VAL H 1 32 VAL MG1 4.340 . 4.340 3.811 3.766 3.848 . 0 0 "[ . 1 . 2]" 1
382 1 32 VAL H 1 32 VAL MG2 3.640 . 3.640 2.205 2.026 2.390 . 0 0 "[ . 1 . 2]" 1
383 1 32 VAL H 1 33 ASP H 4.490 . 4.490 2.696 2.598 2.768 . 0 0 "[ . 1 . 2]" 1
384 1 32 VAL H 1 34 ASN H 5.530 . 5.530 4.032 3.897 4.216 . 0 0 "[ . 1 . 2]" 1
385 1 32 VAL H 1 35 THR MG 5.470 . 5.470 4.619 4.308 4.821 . 0 0 "[ . 1 . 2]" 1
386 1 32 VAL H 1 37 LEU MD1 5.780 . 5.780 5.000 4.734 5.240 . 0 0 "[ . 1 . 2]" 1
387 1 32 VAL H 1 49 ILE MD 5.420 . 5.420 4.501 4.150 4.819 . 0 0 "[ . 1 . 2]" 1
388 1 32 VAL HA 1 32 VAL MG2 3.740 . 3.740 2.402 2.338 2.515 . 0 0 "[ . 1 . 2]" 1
389 1 32 VAL HA 1 35 THR H 4.880 . 4.880 3.727 3.402 3.937 . 0 0 "[ . 1 . 2]" 1
390 1 32 VAL HA 1 35 THR HG1 4.960 . 4.960 2.416 2.022 2.877 . 0 0 "[ . 1 . 2]" 1
391 1 32 VAL HA 1 35 THR MG 3.780 . 3.780 3.484 3.043 3.662 . 0 0 "[ . 1 . 2]" 1
392 1 32 VAL HA 1 37 LEU MD2 5.300 . 5.300 4.585 4.412 4.779 . 0 0 "[ . 1 . 2]" 1
393 1 32 VAL HA 1 49 ILE MD 5.780 . 5.780 5.260 5.044 5.391 . 0 0 "[ . 1 . 2]" 1
394 1 32 VAL HA 1 65 PHE QD 5.200 . 5.200 3.198 2.682 3.773 . 0 0 "[ . 1 . 2]" 1
395 1 32 VAL HA 1 65 PHE QE 5.780 . 5.780 3.353 1.804 4.471 . 0 0 "[ . 1 . 2]" 1
396 1 32 VAL HB 1 33 ASP H 4.450 . 4.450 2.777 2.681 2.889 . 0 0 "[ . 1 . 2]" 1
397 1 32 VAL MG1 1 33 ASP H 4.910 . 4.910 3.476 3.299 3.775 . 0 0 "[ . 1 . 2]" 1
398 1 32 VAL MG1 1 33 ASP HA 4.920 . 4.920 3.533 3.224 3.936 . 0 0 "[ . 1 . 2]" 1
399 1 32 VAL MG1 1 35 THR H 5.430 . 5.430 4.956 4.692 5.110 . 0 0 "[ . 1 . 2]" 1
400 1 32 VAL MG1 1 35 THR HG1 4.840 . 4.840 3.923 3.490 4.097 . 0 0 "[ . 1 . 2]" 1
401 1 32 VAL MG1 1 35 THR MG 5.150 . 5.150 4.932 4.415 5.120 . 0 0 "[ . 1 . 2]" 1
402 1 32 VAL MG1 1 42 LYS H 5.250 . 5.250 4.263 4.161 4.624 . 0 0 "[ . 1 . 2]" 1
403 1 32 VAL MG1 1 42 LYS HA 3.770 . 3.770 2.074 1.948 2.310 . 0 0 "[ . 1 . 2]" 1
404 1 32 VAL MG1 1 42 LYS QB 4.240 . 4.240 2.911 2.613 3.619 . 0 0 "[ . 1 . 2]" 1
405 1 32 VAL MG1 1 42 LYS HE2 5.370 . 5.370 4.039 3.600 4.631 . 0 0 "[ . 1 . 2]" 1
406 1 32 VAL MG1 1 42 LYS QE 4.670 . 4.670 3.812 3.471 4.275 . 0 0 "[ . 1 . 2]" 1
407 1 32 VAL MG1 1 42 LYS HE3 5.370 . 5.370 4.805 3.676 5.421 0.051 13 0 "[ . 1 . 2]" 1
408 1 32 VAL MG1 1 42 LYS QG 3.870 . 3.870 2.322 2.017 2.683 . 0 0 "[ . 1 . 2]" 1
409 1 32 VAL MG1 1 43 ASN H 5.450 . 5.450 4.716 4.509 5.056 . 0 0 "[ . 1 . 2]" 1
410 1 32 VAL MG1 1 45 PHE H 5.570 . 5.570 3.752 3.501 4.000 . 0 0 "[ . 1 . 2]" 1
411 1 32 VAL MG1 1 45 PHE HA 5.420 . 5.420 4.598 4.369 5.031 . 0 0 "[ . 1 . 2]" 1
412 1 32 VAL MG1 1 45 PHE HB2 4.590 . 4.590 2.139 1.846 2.672 . 0 0 "[ . 1 . 2]" 1
413 1 32 VAL MG1 1 45 PHE HB3 4.380 . 4.380 2.955 2.538 3.498 . 0 0 "[ . 1 . 2]" 1
414 1 32 VAL MG1 1 45 PHE QD 5.150 . 5.150 2.994 2.286 3.621 . 0 0 "[ . 1 . 2]" 1
415 1 32 VAL MG1 1 46 LYS H 4.810 . 4.810 2.820 2.388 3.176 . 0 0 "[ . 1 . 2]" 1
416 1 32 VAL MG1 1 46 LYS QD 4.330 . 4.330 3.258 2.475 4.223 . 0 0 "[ . 1 . 2]" 1
417 1 32 VAL MG1 1 46 LYS HE2 5.340 . 5.340 3.914 2.516 5.084 . 0 0 "[ . 1 . 2]" 1
418 1 32 VAL MG1 1 46 LYS QE 4.600 . 4.600 3.466 2.241 4.511 . 0 0 "[ . 1 . 2]" 1
419 1 32 VAL MG1 1 46 LYS HE3 5.340 . 5.340 4.004 2.375 5.050 . 0 0 "[ . 1 . 2]" 1
420 1 32 VAL MG1 1 46 LYS QG 3.870 . 3.870 2.118 1.860 2.593 . 0 0 "[ . 1 . 2]" 1
421 1 32 VAL MG2 1 33 ASP H 5.150 . 5.150 3.975 3.839 4.073 . 0 0 "[ . 1 . 2]" 1
422 1 32 VAL MG2 1 33 ASP HA 5.780 . 5.780 5.540 5.421 5.619 . 0 0 "[ . 1 . 2]" 1
423 1 32 VAL MG2 1 35 THR H 5.570 . 5.570 5.440 5.252 5.594 0.024 2 0 "[ . 1 . 2]" 1
424 1 32 VAL MG2 1 35 THR HG1 5.540 . 5.540 4.392 4.032 4.857 . 0 0 "[ . 1 . 2]" 1
425 1 32 VAL MG2 1 35 THR MG 4.510 . 4.510 4.508 4.091 4.649 0.139 6 0 "[ . 1 . 2]" 1
426 1 32 VAL MG2 1 37 LEU MD1 4.480 . 4.480 3.014 2.659 3.335 . 0 0 "[ . 1 . 2]" 1
427 1 32 VAL MG2 1 37 LEU MD2 5.040 . 5.040 4.905 4.600 5.186 0.146 19 0 "[ . 1 . 2]" 1
428 1 32 VAL MG2 1 42 LYS HA 5.440 . 5.440 4.363 4.052 4.717 . 0 0 "[ . 1 . 2]" 1
429 1 32 VAL MG2 1 45 PHE HB2 5.760 . 5.760 2.937 2.655 3.281 . 0 0 "[ . 1 . 2]" 1
430 1 32 VAL MG2 1 45 PHE HB3 4.350 . 4.350 2.404 2.158 2.910 . 0 0 "[ . 1 . 2]" 1
431 1 32 VAL MG2 1 45 PHE QD 4.850 . 4.850 3.706 3.223 4.258 . 0 0 "[ . 1 . 2]" 1
432 1 32 VAL MG2 1 46 LYS H 5.580 . 5.580 3.936 3.519 4.208 . 0 0 "[ . 1 . 2]" 1
433 1 32 VAL MG2 1 46 LYS HA 5.410 . 5.410 3.728 3.246 4.118 . 0 0 "[ . 1 . 2]" 1
434 1 32 VAL MG2 1 46 LYS QG 4.580 . 4.580 3.250 2.677 3.790 . 0 0 "[ . 1 . 2]" 1
435 1 32 VAL MG2 1 49 ILE MD 3.570 . 3.570 2.182 2.001 2.301 . 0 0 "[ . 1 . 2]" 1
436 1 32 VAL MG2 1 49 ILE MG 4.650 . 4.650 4.482 4.112 4.678 0.028 13 0 "[ . 1 . 2]" 1
437 1 32 VAL MG2 1 65 PHE QB 4.550 . 4.550 2.731 2.200 3.705 . 0 0 "[ . 1 . 2]" 1
438 1 32 VAL MG2 1 65 PHE QD 4.400 . 4.400 2.872 2.725 2.959 . 0 0 "[ . 1 . 2]" 1
439 1 32 VAL MG2 1 65 PHE QE 4.560 . 4.560 3.195 2.805 3.576 . 0 0 "[ . 1 . 2]" 1
440 1 33 ASP H 1 33 ASP QB 3.820 . 3.820 2.285 2.236 2.483 . 0 0 "[ . 1 . 2]" 1
441 1 33 ASP H 1 34 ASN H 4.200 . 4.200 2.492 2.436 2.560 . 0 0 "[ . 1 . 2]" 1
442 1 33 ASP H 1 34 ASN HB2 5.280 . 5.280 4.659 4.532 4.757 . 0 0 "[ . 1 . 2]" 1
443 1 33 ASP H 1 35 THR H 5.600 . 5.600 4.008 3.934 4.123 . 0 0 "[ . 1 . 2]" 1
444 1 33 ASP H 1 35 THR MG 5.780 . 5.780 5.183 4.968 5.396 . 0 0 "[ . 1 . 2]" 1
445 1 33 ASP HA 1 42 LYS HD2 5.780 . 5.780 4.053 3.687 4.700 . 0 0 "[ . 1 . 2]" 1
446 1 33 ASP HA 1 42 LYS QD 4.980 . 4.980 2.467 2.053 4.022 . 0 0 "[ . 1 . 2]" 1
447 1 33 ASP HA 1 42 LYS HD3 5.780 . 5.780 2.516 2.063 4.634 . 0 0 "[ . 1 . 2]" 1
448 1 33 ASP HA 1 42 LYS HE2 4.840 . 4.840 2.633 2.021 3.327 . 0 0 "[ . 1 . 2]" 1
449 1 33 ASP HA 1 42 LYS QE 4.200 . 4.200 2.594 2.012 3.263 . 0 0 "[ . 1 . 2]" 1
450 1 33 ASP HA 1 42 LYS HE3 4.840 . 4.840 4.090 2.546 4.710 . 0 0 "[ . 1 . 2]" 1
451 1 33 ASP QB 1 34 ASN H 4.240 . 4.240 2.818 2.536 3.095 . 0 0 "[ . 1 . 2]" 1
452 1 33 ASP HB2 1 34 ASN H 4.970 . 4.970 3.834 2.788 4.189 . 0 0 "[ . 1 . 2]" 1
453 1 33 ASP HB3 1 34 ASN H 4.970 . 4.970 3.016 2.571 3.819 . 0 0 "[ . 1 . 2]" 1
454 1 34 ASN H 1 34 ASN HB2 3.950 . 3.950 2.436 2.334 2.512 . 0 0 "[ . 1 . 2]" 1
455 1 34 ASN H 1 34 ASN HB3 4.240 . 4.240 3.638 3.588 3.672 . 0 0 "[ . 1 . 2]" 1
456 1 34 ASN H 1 35 THR HG1 5.630 . 5.630 3.840 3.584 4.140 . 0 0 "[ . 1 . 2]" 1
457 1 34 ASN H 1 35 THR MG 5.210 . 5.210 4.179 4.029 4.302 . 0 0 "[ . 1 . 2]" 1
458 1 34 ASN HB2 1 35 THR H 5.300 . 5.300 3.066 2.891 3.380 . 0 0 "[ . 1 . 2]" 1
459 1 35 THR H 1 35 THR HG1 3.850 . 3.850 1.994 1.764 2.277 . 0 0 "[ . 1 . 2]" 1
460 1 35 THR H 1 35 THR MG 3.850 . 3.850 2.591 2.470 2.731 . 0 0 "[ . 1 . 2]" 1
461 1 35 THR H 1 36 ILE H 5.780 . 5.780 4.603 4.517 4.646 . 0 0 "[ . 1 . 2]" 1
462 1 35 THR H 1 36 ILE MG 5.780 . 5.780 5.574 5.430 5.689 . 0 0 "[ . 1 . 2]" 1
463 1 35 THR H 1 37 LEU H 5.470 . 5.470 4.531 4.375 4.643 . 0 0 "[ . 1 . 2]" 1
464 1 35 THR H 1 37 LEU MD1 4.990 . 4.990 4.792 4.665 5.039 0.049 9 0 "[ . 1 . 2]" 1
465 1 35 THR H 1 37 LEU MD2 5.310 . 5.310 5.379 5.318 5.497 0.187 11 0 "[ . 1 . 2]" 1
466 1 35 THR H 1 42 LYS HE2 5.230 . 5.230 3.962 3.643 5.222 . 0 0 "[ . 1 . 2]" 1
467 1 35 THR H 1 42 LYS QE 4.480 . 4.480 3.808 3.577 4.110 . 0 0 "[ . 1 . 2]" 1
468 1 35 THR H 1 42 LYS HE3 5.230 . 5.230 5.217 4.228 5.343 0.113 19 0 "[ . 1 . 2]" 1
469 1 35 THR H 1 42 LYS QG 5.610 . 5.610 5.130 4.798 5.470 . 0 0 "[ . 1 . 2]" 1
470 1 35 THR HA 1 36 ILE MG 4.410 . 4.410 3.463 3.279 3.591 . 0 0 "[ . 1 . 2]" 1
471 1 35 THR HA 1 37 LEU H 5.490 . 5.490 4.228 4.119 4.331 . 0 0 "[ . 1 . 2]" 1
472 1 35 THR HA 1 37 LEU MD2 4.920 . 4.920 5.003 4.828 5.095 0.175 3 0 "[ . 1 . 2]" 1
473 1 35 THR HA 1 73 HIS HE1 5.050 . 5.050 5.090 4.954 5.221 0.171 16 0 "[ . 1 . 2]" 1
474 1 35 THR HB 1 36 ILE H 4.400 . 4.400 2.423 1.990 2.763 . 0 0 "[ . 1 . 2]" 1
475 1 35 THR HB 1 36 ILE MG 4.660 . 4.660 4.427 4.117 4.692 0.032 13 0 "[ . 1 . 2]" 1
476 1 35 THR HB 1 37 LEU H 4.790 . 4.790 3.051 2.901 3.213 . 0 0 "[ . 1 . 2]" 1
477 1 35 THR HB 1 37 LEU MD1 4.710 . 4.710 3.951 3.613 4.197 . 0 0 "[ . 1 . 2]" 1
478 1 35 THR HB 1 37 LEU MD2 3.640 . 3.640 2.926 2.772 3.031 . 0 0 "[ . 1 . 2]" 1
479 1 35 THR HB 1 37 LEU HG 5.670 . 5.670 2.723 2.387 2.911 . 0 0 "[ . 1 . 2]" 1
480 1 35 THR HG1 1 36 ILE H 5.740 . 5.740 4.510 4.184 4.783 . 0 0 "[ . 1 . 2]" 1
481 1 35 THR HG1 1 37 LEU H 5.040 . 5.040 3.749 3.012 4.186 . 0 0 "[ . 1 . 2]" 1
482 1 35 THR HG1 1 37 LEU MD1 5.490 . 5.490 3.277 3.056 3.489 . 0 0 "[ . 1 . 2]" 1
483 1 35 THR HG1 1 37 LEU MD2 4.770 . 4.770 4.026 3.905 4.144 . 0 0 "[ . 1 . 2]" 1
484 1 35 THR HG1 1 42 LYS HE2 5.430 . 5.430 3.923 2.721 5.467 0.037 15 0 "[ . 1 . 2]" 1
485 1 35 THR HG1 1 42 LYS HE3 5.430 . 5.430 4.963 3.981 5.464 0.034 1 0 "[ . 1 . 2]" 1
486 1 35 THR MG 1 36 ILE H 4.320 . 4.320 3.560 3.352 3.719 . 0 0 "[ . 1 . 2]" 1
487 1 35 THR MG 1 36 ILE MG 5.130 . 5.130 4.641 4.390 4.872 . 0 0 "[ . 1 . 2]" 1
488 1 35 THR MG 1 37 LEU H 4.980 . 4.980 4.493 4.399 4.599 . 0 0 "[ . 1 . 2]" 1
489 1 35 THR MG 1 37 LEU MD1 4.630 . 4.630 3.824 3.505 3.991 . 0 0 "[ . 1 . 2]" 1
490 1 35 THR MG 1 37 LEU MD2 3.940 . 3.940 3.587 3.392 3.757 . 0 0 "[ . 1 . 2]" 1
491 1 35 THR MG 1 42 LYS QE 5.510 . 5.510 5.133 4.849 5.445 . 0 0 "[ . 1 . 2]" 1
492 1 35 THR MG 1 65 PHE QD 4.140 . 4.140 2.757 1.864 4.097 . 0 0 "[ . 1 . 2]" 1
493 1 35 THR MG 1 65 PHE QE 4.770 . 4.770 2.482 2.078 3.145 . 0 0 "[ . 1 . 2]" 1
494 1 35 THR MG 1 69 ASN H 5.150 . 5.150 4.939 4.507 5.245 0.095 9 0 "[ . 1 . 2]" 1
495 1 35 THR MG 1 69 ASN HB2 4.780 . 4.780 2.951 2.633 3.183 . 0 0 "[ . 1 . 2]" 1
496 1 35 THR MG 1 69 ASN HB3 5.080 . 5.080 3.498 3.031 3.900 . 0 0 "[ . 1 . 2]" 1
497 1 35 THR MG 1 69 ASN HD21 4.750 . 4.750 3.403 2.355 3.767 . 0 0 "[ . 1 . 2]" 1
498 1 35 THR MG 1 69 ASN HD22 4.920 . 4.920 3.116 2.476 3.505 . 0 0 "[ . 1 . 2]" 1
499 1 36 ILE H 1 36 ILE MD 4.690 . 4.690 3.828 3.739 3.956 . 0 0 "[ . 1 . 2]" 1
500 1 36 ILE H 1 36 ILE HG12 4.920 . 4.920 2.240 2.095 2.428 . 0 0 "[ . 1 . 2]" 1
501 1 36 ILE H 1 36 ILE QG 4.230 . 4.230 2.195 2.056 2.370 . 0 0 "[ . 1 . 2]" 1
502 1 36 ILE H 1 36 ILE HG13 4.920 . 4.920 3.157 2.944 3.313 . 0 0 "[ . 1 . 2]" 1
503 1 36 ILE H 1 36 ILE MG 3.970 . 3.970 2.342 2.185 2.501 . 0 0 "[ . 1 . 2]" 1
504 1 36 ILE H 1 37 LEU H 4.810 . 4.810 2.988 2.798 3.076 . 0 0 "[ . 1 . 2]" 1
505 1 36 ILE H 1 37 LEU MD2 4.600 . 4.600 3.877 3.511 4.090 . 0 0 "[ . 1 . 2]" 1
506 1 36 ILE HA 1 36 ILE MD 4.800 . 4.800 4.240 4.221 4.262 . 0 0 "[ . 1 . 2]" 1
507 1 36 ILE HA 1 36 ILE MG 3.370 . 3.370 2.424 2.388 2.452 . 0 0 "[ . 1 . 2]" 1
508 1 36 ILE HB 1 72 LEU MD1 5.430 . 5.430 3.906 3.783 4.171 . 0 0 "[ . 1 . 2]" 1
509 1 36 ILE MD 1 36 ILE MG 3.280 . 3.280 2.046 2.010 2.116 . 0 0 "[ . 1 . 2]" 1
510 1 36 ILE MD 1 69 ASN HA 5.130 . 5.130 4.144 3.918 4.366 . 0 0 "[ . 1 . 2]" 1
511 1 36 ILE MD 1 72 LEU HB2 4.560 . 4.560 2.404 2.116 2.784 . 0 0 "[ . 1 . 2]" 1
512 1 36 ILE MD 1 72 LEU HB3 4.430 . 4.430 2.223 2.029 2.343 . 0 0 "[ . 1 . 2]" 1
513 1 36 ILE MD 1 72 LEU MD1 4.250 . 4.250 3.147 2.827 3.342 . 0 0 "[ . 1 . 2]" 1
514 1 36 ILE MD 1 72 LEU MD2 4.790 . 4.790 3.801 3.431 3.989 . 0 0 "[ . 1 . 2]" 1
515 1 36 ILE MD 1 73 HIS H 5.080 . 5.080 2.977 2.711 3.191 . 0 0 "[ . 1 . 2]" 1
516 1 36 ILE MD 1 73 HIS HA 4.240 . 4.240 2.694 2.385 3.028 . 0 0 "[ . 1 . 2]" 1
517 1 36 ILE MD 1 73 HIS HD2 4.780 . 4.780 3.928 3.575 4.243 . 0 0 "[ . 1 . 2]" 1
518 1 36 ILE MD 1 73 HIS HE1 4.320 . 4.320 2.712 2.551 2.842 . 0 0 "[ . 1 . 2]" 1
519 1 36 ILE MD 1 76 GLN H 5.390 . 5.390 4.573 4.299 5.218 . 0 0 "[ . 1 . 2]" 1
520 1 36 ILE MD 1 76 GLN QB 4.560 . 4.560 3.366 2.842 4.017 . 0 0 "[ . 1 . 2]" 1
521 1 36 ILE MD 1 76 GLN HE21 5.250 . 5.250 2.641 2.058 3.289 . 0 0 "[ . 1 . 2]" 1
522 1 36 ILE MD 1 76 GLN HE22 5.440 . 5.440 2.316 1.845 4.247 . 0 0 "[ . 1 . 2]" 1
523 1 36 ILE MD 1 76 GLN HG2 5.150 . 5.150 3.926 3.229 4.802 . 0 0 "[ . 1 . 2]" 1
524 1 36 ILE MD 1 76 GLN QG 4.470 . 4.470 3.683 3.121 4.231 . 0 0 "[ . 1 . 2]" 1
525 1 36 ILE MD 1 76 GLN HG3 5.150 . 5.150 4.564 4.138 4.842 . 0 0 "[ . 1 . 2]" 1
526 1 36 ILE QG 1 72 LEU HB2 5.610 . 5.610 2.707 2.532 2.909 . 0 0 "[ . 1 . 2]" 1
527 1 36 ILE QG 1 73 HIS HD2 5.040 . 5.040 4.092 3.882 4.266 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE QG 1 73 HIS HE1 4.150 . 4.150 3.183 3.001 3.360 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE QG 1 76 GLN HE21 5.610 . 5.610 4.758 4.192 5.326 . 0 0 "[ . 1 . 2]" 1
530 1 36 ILE HG12 1 73 HIS HE1 4.960 . 4.960 3.232 3.038 3.419 . 0 0 "[ . 1 . 2]" 1
531 1 36 ILE HG13 1 73 HIS HE1 4.960 . 4.960 4.784 4.656 4.945 . 0 0 "[ . 1 . 2]" 1
532 1 36 ILE MG 1 37 LEU H 5.080 . 5.080 4.413 4.369 4.481 . 0 0 "[ . 1 . 2]" 1
533 1 36 ILE MG 1 69 ASN HD22 5.600 . 5.600 3.029 2.579 4.090 . 0 0 "[ . 1 . 2]" 1
534 1 36 ILE MG 1 73 HIS HA 5.580 . 5.580 4.988 4.679 5.249 . 0 0 "[ . 1 . 2]" 1
535 1 36 ILE MG 1 73 HIS HD2 5.010 . 5.010 5.150 5.099 5.206 0.196 13 0 "[ . 1 . 2]" 1
536 1 36 ILE MG 1 73 HIS HE1 3.940 . 3.940 2.302 2.158 2.469 . 0 0 "[ . 1 . 2]" 1
537 1 36 ILE MG 1 76 GLN HE22 5.320 . 5.320 3.254 2.715 5.366 0.046 2 0 "[ . 1 . 2]" 1
538 1 36 ILE MG 1 76 GLN QG 5.610 . 5.610 5.323 4.344 5.663 0.053 4 0 "[ . 1 . 2]" 1
539 1 37 LEU H 1 37 LEU HB2 4.110 . 4.110 2.688 2.634 2.746 . 0 0 "[ . 1 . 2]" 1
540 1 37 LEU H 1 37 LEU MD1 4.730 . 4.730 3.786 3.696 3.873 . 0 0 "[ . 1 . 2]" 1
541 1 37 LEU H 1 37 LEU MD2 3.980 . 3.980 2.810 2.708 2.894 . 0 0 "[ . 1 . 2]" 1
542 1 37 LEU H 1 37 LEU HG 5.000 . 5.000 2.229 2.113 2.343 . 0 0 "[ . 1 . 2]" 1
543 1 37 LEU H 1 38 SER H 5.510 . 5.510 4.649 4.598 4.693 . 0 0 "[ . 1 . 2]" 1
544 1 37 LEU H 1 42 LYS HE2 5.420 . 5.420 3.580 2.997 4.850 . 0 0 "[ . 1 . 2]" 1
545 1 37 LEU H 1 42 LYS QE 4.740 . 4.740 2.952 2.558 4.237 . 0 0 "[ . 1 . 2]" 1
546 1 37 LEU H 1 42 LYS HE3 5.420 . 5.420 3.179 2.775 4.972 . 0 0 "[ . 1 . 2]" 1
547 1 37 LEU H 1 72 LEU MD1 5.520 . 5.520 3.583 3.477 3.771 . 0 0 "[ . 1 . 2]" 1
548 1 37 LEU HA 1 37 LEU MD1 4.240 . 4.240 3.905 3.845 3.957 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU HA 1 37 LEU MD2 4.030 . 4.030 2.248 2.168 2.322 . 0 0 "[ . 1 . 2]" 1
550 1 37 LEU HA 1 68 THR MG 5.780 . 5.780 3.733 3.462 4.090 . 0 0 "[ . 1 . 2]" 1
551 1 37 LEU HA 1 72 LEU MD1 4.190 . 4.190 2.029 1.889 2.176 . 0 0 "[ . 1 . 2]" 1
552 1 37 LEU HA 1 72 LEU MD2 4.790 . 4.790 3.980 3.735 4.220 . 0 0 "[ . 1 . 2]" 1
553 1 37 LEU HB2 1 38 SER H 4.770 . 4.770 3.766 3.607 3.952 . 0 0 "[ . 1 . 2]" 1
554 1 37 LEU HB2 1 41 GLN HB2 5.730 . 5.730 3.485 3.134 3.963 . 0 0 "[ . 1 . 2]" 1
555 1 37 LEU HB2 1 41 GLN HB3 5.730 . 5.730 4.202 3.923 4.748 . 0 0 "[ . 1 . 2]" 1
556 1 37 LEU HB2 1 42 LYS QE 5.010 . 5.010 2.675 2.245 4.368 . 0 0 "[ . 1 . 2]" 1
557 1 37 LEU HB3 1 38 SER H 4.320 . 4.320 2.775 2.640 3.019 . 0 0 "[ . 1 . 2]" 1
558 1 37 LEU HB3 1 41 GLN HB2 5.340 . 5.340 2.194 1.881 2.655 . 0 0 "[ . 1 . 2]" 1
559 1 37 LEU HB3 1 41 GLN QB 4.690 . 4.690 2.101 1.835 2.563 . 0 0 "[ . 1 . 2]" 1
560 1 37 LEU HB3 1 41 GLN HB3 5.340 . 5.340 2.743 2.343 3.376 . 0 0 "[ . 1 . 2]" 1
561 1 37 LEU HB3 1 41 GLN QG 5.400 . 5.400 3.554 2.974 4.627 . 0 0 "[ . 1 . 2]" 1
562 1 37 LEU HB3 1 42 LYS H 5.530 . 5.530 3.636 3.294 3.928 . 0 0 "[ . 1 . 2]" 1
563 1 37 LEU HB3 1 42 LYS HA 5.780 . 5.780 4.195 3.335 4.727 . 0 0 "[ . 1 . 2]" 1
564 1 37 LEU HB3 1 68 THR MG 5.390 . 5.390 3.909 3.523 4.242 . 0 0 "[ . 1 . 2]" 1
565 1 37 LEU HB3 1 72 LEU MD1 4.650 . 4.650 3.702 3.507 3.867 . 0 0 "[ . 1 . 2]" 1
566 1 37 LEU MD1 1 38 SER H 4.640 . 4.640 4.656 4.514 4.824 0.184 4 0 "[ . 1 . 2]" 1
567 1 37 LEU MD1 1 41 GLN HA 4.970 . 4.970 4.633 3.946 4.936 . 0 0 "[ . 1 . 2]" 1
568 1 37 LEU MD1 1 41 GLN HB2 4.330 . 4.330 3.441 2.949 3.805 . 0 0 "[ . 1 . 2]" 1
569 1 37 LEU MD1 1 41 GLN QB 3.760 . 3.760 2.645 1.884 3.033 . 0 0 "[ . 1 . 2]" 1
570 1 37 LEU MD1 1 41 GLN HB3 4.330 . 4.330 2.767 1.906 3.232 . 0 0 "[ . 1 . 2]" 1
571 1 37 LEU MD1 1 41 GLN HE21 5.750 . 5.750 4.528 3.503 5.697 . 0 0 "[ . 1 . 2]" 1
572 1 37 LEU MD1 1 41 GLN HE22 5.530 . 5.530 5.355 4.995 5.625 0.095 11 0 "[ . 1 . 2]" 1
573 1 37 LEU MD1 1 41 GLN QG 5.490 . 5.490 4.291 3.632 4.905 . 0 0 "[ . 1 . 2]" 1
574 1 37 LEU MD1 1 42 LYS H 5.380 . 5.380 4.044 3.750 4.346 . 0 0 "[ . 1 . 2]" 1
575 1 37 LEU MD1 1 42 LYS HA 5.150 . 5.150 2.870 2.301 3.445 . 0 0 "[ . 1 . 2]" 1
576 1 37 LEU MD1 1 45 PHE H 5.780 . 5.780 4.731 4.202 5.204 . 0 0 "[ . 1 . 2]" 1
577 1 37 LEU MD1 1 45 PHE QD 3.890 . 3.890 2.342 2.017 2.637 . 0 0 "[ . 1 . 2]" 1
578 1 37 LEU MD1 1 45 PHE QE 4.330 . 4.330 2.809 2.227 3.344 . 0 0 "[ . 1 . 2]" 1
579 1 37 LEU MD1 1 45 PHE HZ 5.270 . 5.270 4.626 4.238 5.162 . 0 0 "[ . 1 . 2]" 1
580 1 37 LEU MD1 1 65 PHE HA 5.110 . 5.110 3.224 2.887 3.726 . 0 0 "[ . 1 . 2]" 1
581 1 37 LEU MD1 1 65 PHE QB 4.260 . 4.260 2.193 1.680 3.878 . 0 0 "[ . 1 . 2]" 1
582 1 37 LEU MD1 1 65 PHE QD 4.600 . 4.600 2.563 1.762 3.380 . 0 0 "[ . 1 . 2]" 1
583 1 37 LEU MD1 1 68 THR HB 4.670 . 4.670 3.812 3.308 4.284 . 0 0 "[ . 1 . 2]" 1
584 1 37 LEU MD1 1 68 THR MG 3.760 . 3.760 3.642 3.269 3.811 0.051 14 0 "[ . 1 . 2]" 1
585 1 37 LEU MD1 1 69 ASN H 5.300 . 5.300 4.628 4.215 5.076 . 0 0 "[ . 1 . 2]" 1
586 1 37 LEU MD2 1 38 SER H 4.840 . 4.840 3.819 3.658 3.935 . 0 0 "[ . 1 . 2]" 1
587 1 37 LEU MD2 1 41 GLN HB2 5.070 . 5.070 3.962 3.336 4.247 . 0 0 "[ . 1 . 2]" 1
588 1 37 LEU MD2 1 41 GLN QB 4.440 . 4.440 3.346 2.741 3.744 . 0 0 "[ . 1 . 2]" 1
589 1 37 LEU MD2 1 41 GLN HB3 5.070 . 5.070 3.620 2.914 4.176 . 0 0 "[ . 1 . 2]" 1
590 1 37 LEU MD2 1 41 GLN QG 5.780 . 5.780 4.016 2.995 5.265 . 0 0 "[ . 1 . 2]" 1
591 1 37 LEU MD2 1 45 PHE QD 4.670 . 4.670 4.357 3.923 4.636 . 0 0 "[ . 1 . 2]" 1
592 1 37 LEU MD2 1 45 PHE QE 5.250 . 5.250 3.692 3.462 4.110 . 0 0 "[ . 1 . 2]" 1
593 1 37 LEU MD2 1 65 PHE QB 4.740 . 4.740 3.529 3.006 4.783 0.043 9 0 "[ . 1 . 2]" 1
594 1 37 LEU MD2 1 65 PHE QD 4.960 . 4.960 3.339 2.685 4.106 . 0 0 "[ . 1 . 2]" 1
595 1 37 LEU MD2 1 68 THR H 5.180 . 5.180 4.450 4.197 4.790 . 0 0 "[ . 1 . 2]" 1
596 1 37 LEU MD2 1 68 THR HB 4.480 . 4.480 2.641 2.367 3.015 . 0 0 "[ . 1 . 2]" 1
597 1 37 LEU MD2 1 68 THR MG 3.690 . 3.690 2.238 2.089 2.364 . 0 0 "[ . 1 . 2]" 1
598 1 37 LEU MD2 1 69 ASN H 4.250 . 4.250 2.885 2.656 3.168 . 0 0 "[ . 1 . 2]" 1
599 1 37 LEU MD2 1 69 ASN HA 4.430 . 4.430 2.505 2.241 2.678 . 0 0 "[ . 1 . 2]" 1
600 1 37 LEU MD2 1 69 ASN HB2 4.550 . 4.550 2.155 1.919 2.638 . 0 0 "[ . 1 . 2]" 1
601 1 37 LEU MD2 1 69 ASN HB3 5.170 . 5.170 3.538 3.321 3.951 . 0 0 "[ . 1 . 2]" 1
602 1 37 LEU MD2 1 69 ASN HD21 5.780 . 5.780 2.663 2.297 3.253 . 0 0 "[ . 1 . 2]" 1
603 1 37 LEU MD2 1 72 LEU HG 4.470 . 4.470 3.823 3.565 4.080 . 0 0 "[ . 1 . 2]" 1
604 1 37 LEU HG 1 38 SER H 5.620 . 5.620 5.192 5.108 5.283 . 0 0 "[ . 1 . 2]" 1
605 1 37 LEU HG 1 41 GLN QB 5.610 . 5.610 4.618 4.136 5.108 . 0 0 "[ . 1 . 2]" 1
606 1 37 LEU HG 1 68 THR MG 4.980 . 4.980 4.870 4.665 5.007 0.027 4 0 "[ . 1 . 2]" 1
607 1 37 LEU HG 1 72 LEU MD1 4.950 . 4.950 4.045 3.897 4.233 . 0 0 "[ . 1 . 2]" 1
608 1 38 SER H 1 38 SER QB 3.870 . 3.870 2.390 2.251 2.531 . 0 0 "[ . 1 . 2]" 1
609 1 38 SER H 1 41 GLN H 5.310 . 5.310 4.152 3.776 4.790 . 0 0 "[ . 1 . 2]" 1
610 1 38 SER H 1 41 GLN HB2 4.740 . 4.740 2.792 2.413 3.271 . 0 0 "[ . 1 . 2]" 1
611 1 38 SER H 1 41 GLN HB3 4.740 . 4.740 4.112 3.615 4.673 . 0 0 "[ . 1 . 2]" 1
612 1 38 SER H 1 41 GLN QG 4.880 . 4.880 3.014 2.241 4.383 . 0 0 "[ . 1 . 2]" 1
613 1 38 SER H 1 72 LEU MD1 5.370 . 5.370 3.076 2.636 3.312 . 0 0 "[ . 1 . 2]" 1
614 1 38 SER HA 1 39 HIS HB2 5.780 . 5.780 4.655 4.413 4.864 . 0 0 "[ . 1 . 2]" 1
615 1 38 SER HA 1 39 HIS HB3 5.780 . 5.780 4.922 4.670 5.157 . 0 0 "[ . 1 . 2]" 1
616 1 38 SER QB 1 40 GLU H 4.470 . 4.470 3.256 2.889 3.750 . 0 0 "[ . 1 . 2]" 1
617 1 38 SER QB 1 41 GLN H 5.170 . 5.170 2.802 2.410 3.512 . 0 0 "[ . 1 . 2]" 1
618 1 38 SER HB2 1 40 GLU H 5.220 . 5.220 4.103 2.954 5.204 . 0 0 "[ . 1 . 2]" 1
619 1 38 SER HB3 1 40 GLU H 5.220 . 5.220 3.571 3.105 4.514 . 0 0 "[ . 1 . 2]" 1
620 1 39 HIS HA 1 42 LYS H 5.380 . 5.380 3.713 3.446 4.029 . 0 0 "[ . 1 . 2]" 1
621 1 39 HIS HA 1 42 LYS HB2 5.090 . 5.090 2.971 2.318 4.340 . 0 0 "[ . 1 . 2]" 1
622 1 39 HIS HA 1 42 LYS QB 4.350 . 4.350 2.842 2.301 3.233 . 0 0 "[ . 1 . 2]" 1
623 1 39 HIS HA 1 42 LYS HB3 5.090 . 5.090 4.317 2.778 4.912 . 0 0 "[ . 1 . 2]" 1
624 1 39 HIS HA 1 42 LYS QD 4.760 . 4.760 3.041 2.401 4.187 . 0 0 "[ . 1 . 2]" 1
625 1 39 HIS HA 1 43 ASN H 5.480 . 5.480 4.228 3.876 4.619 . 0 0 "[ . 1 . 2]" 1
626 1 39 HIS QB 1 40 GLU H 4.060 . 4.060 2.613 2.465 2.805 . 0 0 "[ . 1 . 2]" 1
627 1 39 HIS HB2 1 40 GLU H 4.680 . 4.680 3.927 3.847 4.041 . 0 0 "[ . 1 . 2]" 1
628 1 39 HIS HB3 1 40 GLU H 4.680 . 4.680 2.654 2.494 2.861 . 0 0 "[ . 1 . 2]" 1
629 1 39 HIS HD2 1 40 GLU HA 4.820 . 4.820 3.632 3.022 4.380 . 0 0 "[ . 1 . 2]" 1
630 1 39 HIS HD2 1 40 GLU HG2 5.370 . 5.370 4.322 3.063 5.523 0.153 19 0 "[ . 1 . 2]" 1
631 1 39 HIS HD2 1 40 GLU QG 4.560 . 4.560 3.663 2.872 4.262 . 0 0 "[ . 1 . 2]" 1
632 1 39 HIS HD2 1 40 GLU HG3 5.370 . 5.370 4.216 3.305 5.455 0.085 17 0 "[ . 1 . 2]" 1
633 1 39 HIS HD2 1 43 ASN QB 5.300 . 5.300 4.629 3.932 5.300 0.000 20 0 "[ . 1 . 2]" 1
634 1 39 HIS HE1 1 43 ASN HD22 4.980 . 4.980 3.655 2.647 4.848 . 0 0 "[ . 1 . 2]" 1
635 1 40 GLU H 1 40 GLU HB2 4.380 . 4.380 2.524 2.333 2.678 . 0 0 "[ . 1 . 2]" 1
636 1 40 GLU H 1 40 GLU QB 3.800 . 3.800 2.466 2.301 2.612 . 0 0 "[ . 1 . 2]" 1
637 1 40 GLU H 1 40 GLU HB3 4.380 . 4.380 3.550 2.600 3.635 . 0 0 "[ . 1 . 2]" 1
638 1 40 GLU H 1 40 GLU HG2 5.100 . 5.100 3.251 2.057 4.502 . 0 0 "[ . 1 . 2]" 1
639 1 40 GLU H 1 40 GLU HG3 5.100 . 5.100 2.998 1.984 4.514 . 0 0 "[ . 1 . 2]" 1
640 1 40 GLU H 1 41 GLN H 4.510 . 4.510 2.657 2.541 2.840 . 0 0 "[ . 1 . 2]" 1
641 1 40 GLU HA 1 40 GLU HG2 4.380 . 4.380 3.099 2.554 3.806 . 0 0 "[ . 1 . 2]" 1
642 1 40 GLU HA 1 40 GLU HG3 4.380 . 4.380 3.131 2.578 3.864 . 0 0 "[ . 1 . 2]" 1
643 1 40 GLU HA 1 43 ASN H 4.900 . 4.900 3.631 3.232 4.048 . 0 0 "[ . 1 . 2]" 1
644 1 40 GLU HA 1 43 ASN HB2 4.380 . 4.380 2.842 2.615 3.058 . 0 0 "[ . 1 . 2]" 1
645 1 40 GLU HA 1 43 ASN HB3 4.380 . 4.380 4.415 4.228 4.539 0.159 13 0 "[ . 1 . 2]" 1
646 1 40 GLU HA 1 43 ASN HD21 5.250 . 5.250 3.531 2.021 5.198 . 0 0 "[ . 1 . 2]" 1
647 1 40 GLU HA 1 43 ASN HD22 5.530 . 5.530 4.516 3.042 5.582 0.052 4 0 "[ . 1 . 2]" 1
648 1 40 GLU QB 1 41 GLN HA 4.380 . 4.380 3.973 3.819 4.262 . 0 0 "[ . 1 . 2]" 1
649 1 40 GLU HB2 1 41 GLN H 4.750 . 4.750 2.694 2.363 4.027 . 0 0 "[ . 1 . 2]" 1
650 1 40 GLU HB3 1 41 GLN H 4.750 . 4.750 3.648 2.868 3.940 . 0 0 "[ . 1 . 2]" 1
651 1 40 GLU HG2 1 41 GLN H 5.780 . 5.780 4.780 3.957 5.238 . 0 0 "[ . 1 . 2]" 1
652 1 40 GLU HG3 1 41 GLN H 5.780 . 5.780 4.666 4.066 5.231 . 0 0 "[ . 1 . 2]" 1
653 1 41 GLN H 1 41 GLN QG 3.990 . 3.990 2.348 2.046 2.611 . 0 0 "[ . 1 . 2]" 1
654 1 41 GLN H 1 42 LYS H 4.370 . 4.370 2.677 2.581 2.775 . 0 0 "[ . 1 . 2]" 1
655 1 41 GLN HA 1 43 ASN H 5.780 . 5.780 4.661 4.383 4.908 . 0 0 "[ . 1 . 2]" 1
656 1 41 GLN HA 1 44 GLU H 4.570 . 4.570 3.599 3.154 3.877 . 0 0 "[ . 1 . 2]" 1
657 1 41 GLN HA 1 44 GLU QB 4.180 . 4.180 2.673 2.013 3.357 . 0 0 "[ . 1 . 2]" 1
658 1 41 GLN HA 1 45 PHE H 5.040 . 5.040 4.037 3.564 4.425 . 0 0 "[ . 1 . 2]" 1
659 1 41 GLN HA 1 45 PHE QD 5.780 . 5.780 3.848 3.061 4.561 . 0 0 "[ . 1 . 2]" 1
660 1 41 GLN QB 1 42 LYS H 4.210 . 4.210 2.579 2.365 2.781 . 0 0 "[ . 1 . 2]" 1
661 1 41 GLN QB 1 44 GLU H 5.610 . 5.610 4.935 4.534 5.096 . 0 0 "[ . 1 . 2]" 1
662 1 41 GLN QB 1 68 THR MG 5.610 . 5.610 3.315 2.880 3.713 . 0 0 "[ . 1 . 2]" 1
663 1 41 GLN HB2 1 42 LYS H 4.830 . 4.830 2.643 2.406 2.881 . 0 0 "[ . 1 . 2]" 1
664 1 41 GLN HB3 1 42 LYS H 4.830 . 4.830 3.618 3.471 3.742 . 0 0 "[ . 1 . 2]" 1
665 1 41 GLN HE21 1 68 THR MG 5.050 . 5.050 2.737 1.557 4.482 . 0 0 "[ . 1 . 2]" 1
666 1 41 GLN HE22 1 68 THR MG 4.800 . 4.800 3.092 1.858 4.350 . 0 0 "[ . 1 . 2]" 1
667 1 41 GLN QG 1 42 LYS H 5.680 . 5.680 4.118 3.856 4.349 . 0 0 "[ . 1 . 2]" 1
668 1 42 LYS H 1 42 LYS QD 5.310 . 5.310 4.035 3.800 4.694 . 0 0 "[ . 1 . 2]" 1
669 1 42 LYS H 1 43 ASN H 4.320 . 4.320 2.721 2.595 2.802 . 0 0 "[ . 1 . 2]" 1
670 1 42 LYS HA 1 45 PHE H 5.580 . 5.580 3.813 3.465 4.152 . 0 0 "[ . 1 . 2]" 1
671 1 42 LYS HA 1 45 PHE HB2 5.600 . 5.600 3.250 2.769 3.793 . 0 0 "[ . 1 . 2]" 1
672 1 42 LYS HA 1 45 PHE HB3 5.520 . 5.520 4.895 4.435 5.475 . 0 0 "[ . 1 . 2]" 1
673 1 42 LYS HA 1 45 PHE QD 5.780 . 5.780 3.378 2.634 3.994 . 0 0 "[ . 1 . 2]" 1
674 1 42 LYS HA 1 46 LYS H 5.780 . 5.780 3.968 3.299 4.683 . 0 0 "[ . 1 . 2]" 1
675 1 42 LYS QB 1 43 ASN H 4.190 . 4.190 2.497 2.303 2.709 . 0 0 "[ . 1 . 2]" 1
676 1 42 LYS QB 1 46 LYS QE 4.510 . 4.510 2.869 1.705 4.387 . 0 0 "[ . 1 . 2]" 1
677 1 42 LYS HB2 1 43 ASN H 4.830 . 4.830 2.691 2.356 3.868 . 0 0 "[ . 1 . 2]" 1
678 1 42 LYS HB3 1 43 ASN H 4.830 . 4.830 3.344 2.447 3.714 . 0 0 "[ . 1 . 2]" 1
679 1 42 LYS QG 1 46 LYS QE 5.000 . 5.000 4.206 2.198 5.237 0.237 17 0 "[ . 1 . 2]" 1
680 1 43 ASN H 1 43 ASN HB2 4.320 . 4.320 2.428 2.285 2.592 . 0 0 "[ . 1 . 2]" 1
681 1 43 ASN H 1 43 ASN QB 3.620 . 3.620 2.391 2.259 2.541 . 0 0 "[ . 1 . 2]" 1
682 1 43 ASN H 1 43 ASN HB3 4.320 . 4.320 3.600 3.555 3.662 . 0 0 "[ . 1 . 2]" 1
683 1 43 ASN H 1 44 GLU QB 5.330 . 5.330 4.522 4.197 4.801 . 0 0 "[ . 1 . 2]" 1
684 1 43 ASN HA 1 46 LYS H 5.000 . 5.000 4.086 3.692 4.688 . 0 0 "[ . 1 . 2]" 1
685 1 43 ASN HA 1 46 LYS QB 4.220 . 4.220 3.107 2.465 3.747 . 0 0 "[ . 1 . 2]" 1
686 1 43 ASN HA 1 46 LYS QD 4.820 . 4.820 3.510 2.306 4.939 0.119 5 0 "[ . 1 . 2]" 1
687 1 43 ASN HA 1 46 LYS HE2 5.070 . 5.070 4.448 2.415 5.297 0.227 18 0 "[ . 1 . 2]" 1
688 1 43 ASN HA 1 46 LYS HE3 5.070 . 5.070 3.860 2.227 5.062 . 0 0 "[ . 1 . 2]" 1
689 1 43 ASN QB 1 44 GLU H 4.210 . 4.210 2.690 2.407 2.997 . 0 0 "[ . 1 . 2]" 1
690 1 44 GLU H 1 44 GLU HB2 4.080 . 4.080 2.437 2.196 2.626 . 0 0 "[ . 1 . 2]" 1
691 1 44 GLU H 1 44 GLU QB 3.560 . 3.560 2.272 2.164 2.412 . 0 0 "[ . 1 . 2]" 1
692 1 44 GLU H 1 44 GLU HB3 4.080 . 4.080 3.034 2.336 3.642 . 0 0 "[ . 1 . 2]" 1
693 1 44 GLU H 1 44 GLU HG2 4.590 . 4.590 4.132 2.803 4.633 0.043 7 0 "[ . 1 . 2]" 1
694 1 44 GLU H 1 44 GLU HG3 4.590 . 4.590 3.907 2.376 4.621 0.031 19 0 "[ . 1 . 2]" 1
695 1 44 GLU H 1 45 PHE H 4.260 . 4.260 2.785 2.668 2.897 . 0 0 "[ . 1 . 2]" 1
696 1 44 GLU HA 1 44 GLU HG2 4.340 . 4.340 3.042 2.464 3.815 . 0 0 "[ . 1 . 2]" 1
697 1 44 GLU HA 1 44 GLU QG 3.750 . 3.750 2.519 2.357 3.019 . 0 0 "[ . 1 . 2]" 1
698 1 44 GLU HA 1 44 GLU HG3 4.340 . 4.340 2.883 2.395 3.642 . 0 0 "[ . 1 . 2]" 1
699 1 44 GLU HA 1 46 LYS H 5.780 . 5.780 4.848 4.560 5.117 . 0 0 "[ . 1 . 2]" 1
700 1 44 GLU HA 1 47 THR HB 4.250 . 4.250 3.274 2.783 3.826 . 0 0 "[ . 1 . 2]" 1
701 1 44 GLU HA 1 48 LYS QD 5.550 . 5.550 4.656 4.043 5.486 . 0 0 "[ . 1 . 2]" 1
702 1 44 GLU HA 1 48 LYS QE 5.340 . 5.340 3.939 2.838 5.472 0.132 1 0 "[ . 1 . 2]" 1
703 1 44 GLU QB 1 45 PHE H 3.860 . 3.860 2.400 2.241 2.670 . 0 0 "[ . 1 . 2]" 1
704 1 44 GLU QB 1 45 PHE HB3 5.610 . 5.610 5.382 5.149 5.602 . 0 0 "[ . 1 . 2]" 1
705 1 44 GLU QB 1 48 LYS QE 5.610 . 5.610 3.310 1.748 5.223 . 0 0 "[ . 1 . 2]" 1
706 1 44 GLU HB2 1 45 PHE H 4.650 . 4.650 3.170 2.390 3.855 . 0 0 "[ . 1 . 2]" 1
707 1 44 GLU HB3 1 45 PHE H 4.650 . 4.650 2.784 2.261 3.429 . 0 0 "[ . 1 . 2]" 1
708 1 44 GLU QG 1 45 PHE H 5.050 . 5.050 3.930 3.248 4.556 . 0 0 "[ . 1 . 2]" 1
709 1 44 GLU QG 1 45 PHE HA 5.610 . 5.610 4.658 3.184 5.692 0.082 2 0 "[ . 1 . 2]" 1
710 1 44 GLU QG 1 47 THR HB 5.260 . 5.260 4.901 4.021 5.388 0.128 9 0 "[ . 1 . 2]" 1
711 1 44 GLU QG 1 48 LYS QD 4.530 . 4.530 3.713 2.067 4.656 0.126 2 0 "[ . 1 . 2]" 1
712 1 44 GLU QG 1 48 LYS QE 3.940 . 3.940 2.651 1.698 3.478 . 0 0 "[ . 1 . 2]" 1
713 1 44 GLU QG 1 48 LYS QG 4.530 . 4.530 3.811 2.817 4.751 0.221 2 0 "[ . 1 . 2]" 1
714 1 44 GLU HG2 1 48 LYS QE 4.690 . 4.690 3.016 2.132 4.491 . 0 0 "[ . 1 . 2]" 1
715 1 44 GLU HG3 1 48 LYS QE 4.690 . 4.690 3.316 1.708 4.564 . 0 0 "[ . 1 . 2]" 1
716 1 45 PHE H 1 45 PHE HB2 4.260 . 4.260 2.407 2.316 2.500 . 0 0 "[ . 1 . 2]" 1
717 1 45 PHE H 1 45 PHE HB3 4.400 . 4.400 3.618 3.585 3.655 . 0 0 "[ . 1 . 2]" 1
718 1 45 PHE H 1 45 PHE QD 4.630 . 4.630 3.064 2.879 3.283 . 0 0 "[ . 1 . 2]" 1
719 1 45 PHE H 1 46 LYS H 4.250 . 4.250 2.798 2.602 2.920 . 0 0 "[ . 1 . 2]" 1
720 1 45 PHE HA 1 45 PHE QD 4.220 . 4.220 2.453 2.194 2.847 . 0 0 "[ . 1 . 2]" 1
721 1 45 PHE HA 1 45 PHE QE 5.270 . 5.270 4.410 4.322 4.536 . 0 0 "[ . 1 . 2]" 1
722 1 45 PHE HA 1 48 LYS H 4.750 . 4.750 3.591 3.403 3.898 . 0 0 "[ . 1 . 2]" 1
723 1 45 PHE HA 1 48 LYS QB 4.340 . 4.340 2.668 2.332 3.052 . 0 0 "[ . 1 . 2]" 1
724 1 45 PHE HA 1 48 LYS HD2 5.290 . 5.290 2.879 2.027 5.302 0.012 19 0 "[ . 1 . 2]" 1
725 1 45 PHE HA 1 48 LYS HD3 5.290 . 5.290 4.268 3.212 5.280 . 0 0 "[ . 1 . 2]" 1
726 1 45 PHE HA 1 48 LYS QE 5.370 . 5.370 4.416 3.730 5.061 . 0 0 "[ . 1 . 2]" 1
727 1 45 PHE HA 1 48 LYS QG 5.570 . 5.570 3.614 2.591 4.049 . 0 0 "[ . 1 . 2]" 1
728 1 45 PHE HA 1 61 LEU MD1 5.670 . 5.670 4.209 3.696 4.490 . 0 0 "[ . 1 . 2]" 1
729 1 45 PHE HA 1 61 LEU MD2 4.580 . 4.580 3.366 2.731 3.874 . 0 0 "[ . 1 . 2]" 1
730 1 45 PHE HB2 1 46 LYS H 5.080 . 5.080 2.696 2.476 2.903 . 0 0 "[ . 1 . 2]" 1
731 1 45 PHE HB2 1 47 THR H 5.780 . 5.780 5.260 5.052 5.456 . 0 0 "[ . 1 . 2]" 1
732 1 45 PHE HB2 1 49 ILE MD 5.520 . 5.520 3.901 3.579 4.246 . 0 0 "[ . 1 . 2]" 1
733 1 45 PHE HB3 1 46 LYS H 4.970 . 4.970 3.437 3.237 3.653 . 0 0 "[ . 1 . 2]" 1
734 1 45 PHE HB3 1 47 THR H 5.700 . 5.700 5.614 5.467 5.784 0.084 14 0 "[ . 1 . 2]" 1
735 1 45 PHE HB3 1 49 ILE MD 4.990 . 4.990 2.713 2.466 3.133 . 0 0 "[ . 1 . 2]" 1
736 1 45 PHE QD 1 48 LYS QB 5.120 . 5.120 3.864 3.424 4.407 . 0 0 "[ . 1 . 2]" 1
737 1 45 PHE QD 1 49 ILE MD 5.230 . 5.230 3.921 3.136 4.522 . 0 0 "[ . 1 . 2]" 1
738 1 45 PHE QD 1 61 LEU HA 5.780 . 5.780 3.610 3.179 4.271 . 0 0 "[ . 1 . 2]" 1
739 1 45 PHE QD 1 61 LEU HB2 5.620 . 5.620 4.691 4.249 5.026 . 0 0 "[ . 1 . 2]" 1
740 1 45 PHE QD 1 61 LEU MD1 5.010 . 5.010 4.088 3.873 4.321 . 0 0 "[ . 1 . 2]" 1
741 1 45 PHE QD 1 61 LEU MD2 3.940 . 3.940 2.596 2.025 3.376 . 0 0 "[ . 1 . 2]" 1
742 1 45 PHE QD 1 65 PHE HB2 5.780 . 5.780 3.480 3.002 4.042 . 0 0 "[ . 1 . 2]" 1
743 1 45 PHE QD 1 65 PHE QB 5.000 . 5.000 3.065 2.824 3.371 . 0 0 "[ . 1 . 2]" 1
744 1 45 PHE QD 1 65 PHE HB3 5.780 . 5.780 3.561 3.085 4.621 . 0 0 "[ . 1 . 2]" 1
745 1 45 PHE QD 1 65 PHE QD 5.180 . 5.180 4.185 3.635 4.746 . 0 0 "[ . 1 . 2]" 1
746 1 45 PHE QD 1 68 THR MG 5.780 . 5.780 4.861 4.388 5.473 . 0 0 "[ . 1 . 2]" 1
747 1 45 PHE QE 1 61 LEU HA 5.090 . 5.090 3.245 2.765 3.580 . 0 0 "[ . 1 . 2]" 1
748 1 45 PHE QE 1 61 LEU MD1 5.780 . 5.780 5.380 5.188 5.600 . 0 0 "[ . 1 . 2]" 1
749 1 45 PHE QE 1 61 LEU MD2 4.130 . 4.130 3.209 2.931 3.618 . 0 0 "[ . 1 . 2]" 1
750 1 45 PHE QE 1 64 GLN HB2 5.030 . 5.030 2.406 2.001 3.070 . 0 0 "[ . 1 . 2]" 1
751 1 45 PHE QE 1 64 GLN HB3 5.030 . 5.030 2.539 1.904 3.042 . 0 0 "[ . 1 . 2]" 1
752 1 45 PHE QE 1 65 PHE H 5.630 . 5.630 3.748 3.205 4.196 . 0 0 "[ . 1 . 2]" 1
753 1 45 PHE QE 1 65 PHE HA 5.690 . 5.690 3.189 2.888 3.445 . 0 0 "[ . 1 . 2]" 1
754 1 45 PHE QE 1 65 PHE QB 5.610 . 5.610 3.263 2.846 3.682 . 0 0 "[ . 1 . 2]" 1
755 1 45 PHE QE 1 68 THR MG 4.870 . 4.870 3.119 2.537 3.706 . 0 0 "[ . 1 . 2]" 1
756 1 45 PHE HZ 1 61 LEU HA 5.780 . 5.780 5.504 5.094 5.879 0.099 1 0 "[ . 1 . 2]" 1
757 1 45 PHE HZ 1 61 LEU MD2 5.300 . 5.300 5.214 4.977 5.327 0.027 18 0 "[ . 1 . 2]" 1
758 1 45 PHE HZ 1 64 GLN HA 5.780 . 5.780 4.671 4.396 5.151 . 0 0 "[ . 1 . 2]" 1
759 1 45 PHE HZ 1 64 GLN HB2 5.020 . 5.020 3.671 3.026 4.264 . 0 0 "[ . 1 . 2]" 1
760 1 45 PHE HZ 1 64 GLN QB 4.270 . 4.270 2.565 2.279 2.905 . 0 0 "[ . 1 . 2]" 1
761 1 45 PHE HZ 1 64 GLN HB3 5.020 . 5.020 2.622 2.325 2.967 . 0 0 "[ . 1 . 2]" 1
762 1 45 PHE HZ 1 64 GLN QG 4.770 . 4.770 4.531 3.940 4.822 0.052 16 0 "[ . 1 . 2]" 1
763 1 45 PHE HZ 1 65 PHE H 5.780 . 5.780 4.304 3.949 4.866 . 0 0 "[ . 1 . 2]" 1
764 1 45 PHE HZ 1 65 PHE HA 5.200 . 5.200 3.294 2.927 3.747 . 0 0 "[ . 1 . 2]" 1
765 1 45 PHE HZ 1 65 PHE HB2 5.780 . 5.780 4.702 4.157 5.233 . 0 0 "[ . 1 . 2]" 1
766 1 45 PHE HZ 1 65 PHE QB 4.890 . 4.890 3.973 3.642 4.366 . 0 0 "[ . 1 . 2]" 1
767 1 45 PHE HZ 1 65 PHE HB3 5.780 . 5.780 4.411 3.808 5.375 . 0 0 "[ . 1 . 2]" 1
768 1 45 PHE HZ 1 68 THR MG 5.450 . 5.450 4.139 3.627 4.800 . 0 0 "[ . 1 . 2]" 1
769 1 46 LYS H 1 46 LYS HD2 5.710 . 5.710 4.465 3.805 5.042 . 0 0 "[ . 1 . 2]" 1
770 1 46 LYS H 1 46 LYS QD 5.000 . 5.000 3.866 3.391 4.537 . 0 0 "[ . 1 . 2]" 1
771 1 46 LYS H 1 46 LYS HD3 5.710 . 5.710 4.415 3.525 5.148 . 0 0 "[ . 1 . 2]" 1
772 1 46 LYS H 1 46 LYS QG 4.750 . 4.750 2.309 2.146 2.655 . 0 0 "[ . 1 . 2]" 1
773 1 46 LYS H 1 47 THR H 4.270 . 4.270 2.831 2.704 2.921 . 0 0 "[ . 1 . 2]" 1
774 1 46 LYS H 1 47 THR HA 5.780 . 5.780 5.438 5.339 5.497 . 0 0 "[ . 1 . 2]" 1
775 1 46 LYS HA 1 46 LYS QD 5.020 . 5.020 4.128 3.993 4.263 . 0 0 "[ . 1 . 2]" 1
776 1 46 LYS HA 1 49 ILE H 5.410 . 5.410 3.729 3.330 4.060 . 0 0 "[ . 1 . 2]" 1
777 1 46 LYS HA 1 49 ILE HB 4.610 . 4.610 2.903 2.418 3.544 . 0 0 "[ . 1 . 2]" 1
778 1 46 LYS HA 1 49 ILE MD 4.330 . 4.330 2.419 1.858 3.298 . 0 0 "[ . 1 . 2]" 1
779 1 46 LYS HA 1 49 ILE QG 5.250 . 5.250 3.733 3.220 4.318 . 0 0 "[ . 1 . 2]" 1
780 1 46 LYS HA 1 49 ILE MG 5.170 . 5.170 4.119 3.721 4.639 . 0 0 "[ . 1 . 2]" 1
781 1 46 LYS HA 1 50 ASP H 5.670 . 5.670 4.451 4.035 5.176 . 0 0 "[ . 1 . 2]" 1
782 1 46 LYS QB 1 46 LYS QE 4.030 . 4.030 2.678 1.872 3.585 . 0 0 "[ . 1 . 2]" 1
783 1 46 LYS QB 1 47 THR H 4.420 . 4.420 2.557 2.357 2.829 . 0 0 "[ . 1 . 2]" 1
784 1 46 LYS HB2 1 47 THR H 5.090 . 5.090 2.624 2.396 2.925 . 0 0 "[ . 1 . 2]" 1
785 1 46 LYS HB3 1 47 THR H 5.090 . 5.090 3.559 3.418 3.757 . 0 0 "[ . 1 . 2]" 1
786 1 46 LYS QD 1 47 THR H 5.610 . 5.610 4.895 4.413 5.409 . 0 0 "[ . 1 . 2]" 1
787 1 46 LYS QG 1 47 THR H 5.610 . 5.610 4.198 3.995 4.461 . 0 0 "[ . 1 . 2]" 1
788 1 47 THR H 1 47 THR HB 3.950 . 3.950 2.530 2.439 2.644 . 0 0 "[ . 1 . 2]" 1
789 1 47 THR H 1 47 THR MG 4.010 . 4.010 3.799 3.771 3.832 . 0 0 "[ . 1 . 2]" 1
790 1 47 THR H 1 48 LYS H 4.250 . 4.250 2.716 2.556 2.798 . 0 0 "[ . 1 . 2]" 1
791 1 47 THR H 1 48 LYS QB 5.610 . 5.610 4.654 4.469 4.774 . 0 0 "[ . 1 . 2]" 1
792 1 47 THR H 1 48 LYS QG 5.610 . 5.610 4.454 4.185 4.860 . 0 0 "[ . 1 . 2]" 1
793 1 47 THR HA 1 47 THR MG 3.360 . 3.360 2.482 2.427 2.563 . 0 0 "[ . 1 . 2]" 1
794 1 47 THR HA 1 50 ASP H 4.820 . 4.820 3.644 3.335 3.873 . 0 0 "[ . 1 . 2]" 1
795 1 47 THR HA 1 50 ASP HB2 4.870 . 4.870 2.996 2.672 3.301 . 0 0 "[ . 1 . 2]" 1
796 1 47 THR HA 1 50 ASP QB 4.240 . 4.240 2.959 2.645 3.255 . 0 0 "[ . 1 . 2]" 1
797 1 47 THR HA 1 50 ASP HB3 4.870 . 4.870 4.613 4.223 4.960 0.090 10 0 "[ . 1 . 2]" 1
798 1 47 THR HA 1 51 GLU H 5.670 . 5.670 4.396 4.127 4.550 . 0 0 "[ . 1 . 2]" 1
799 1 47 THR HB 1 48 LYS H 4.350 . 4.350 2.535 2.372 2.683 . 0 0 "[ . 1 . 2]" 1
800 1 47 THR MG 1 48 LYS H 4.400 . 4.400 3.419 3.242 3.615 . 0 0 "[ . 1 . 2]" 1
801 1 47 THR MG 1 48 LYS HA 4.950 . 4.950 3.511 3.286 3.705 . 0 0 "[ . 1 . 2]" 1
802 1 47 THR MG 1 48 LYS QG 5.520 . 5.520 3.753 3.347 4.246 . 0 0 "[ . 1 . 2]" 1
803 1 47 THR MG 1 50 ASP H 5.630 . 5.630 4.795 4.504 5.048 . 0 0 "[ . 1 . 2]" 1
804 1 47 THR MG 1 51 GLU H 5.260 . 5.260 4.212 3.936 4.419 . 0 0 "[ . 1 . 2]" 1
805 1 47 THR MG 1 51 GLU HG2 4.870 . 4.870 2.693 2.348 3.378 . 0 0 "[ . 1 . 2]" 1
806 1 47 THR MG 1 51 GLU QG 3.970 . 3.970 2.476 2.114 3.317 . 0 0 "[ . 1 . 2]" 1
807 1 47 THR MG 1 51 GLU HG3 4.870 . 4.870 2.940 2.283 4.843 . 0 0 "[ . 1 . 2]" 1
808 1 48 LYS H 1 48 LYS QB 3.820 . 3.820 2.417 2.288 2.538 . 0 0 "[ . 1 . 2]" 1
809 1 48 LYS H 1 48 LYS HD2 5.420 . 5.420 4.012 3.714 4.559 . 0 0 "[ . 1 . 2]" 1
810 1 48 LYS H 1 48 LYS QD 4.560 . 4.560 3.780 3.418 3.985 . 0 0 "[ . 1 . 2]" 1
811 1 48 LYS H 1 48 LYS HD3 5.420 . 5.420 4.735 3.531 4.920 . 0 0 "[ . 1 . 2]" 1
812 1 48 LYS H 1 48 LYS QE 5.570 . 5.570 4.582 4.237 5.316 . 0 0 "[ . 1 . 2]" 1
813 1 48 LYS H 1 48 LYS QG 4.070 . 4.070 2.326 2.136 2.563 . 0 0 "[ . 1 . 2]" 1
814 1 48 LYS H 1 49 ILE H 4.470 . 4.470 2.717 2.631 2.783 . 0 0 "[ . 1 . 2]" 1
815 1 48 LYS HA 1 48 LYS QD 4.490 . 4.490 3.994 2.210 4.158 . 0 0 "[ . 1 . 2]" 1
816 1 48 LYS HA 1 48 LYS QE 5.630 . 5.630 4.811 4.110 5.163 . 0 0 "[ . 1 . 2]" 1
817 1 48 LYS HA 1 48 LYS HG2 4.430 . 4.430 2.625 2.475 3.148 . 0 0 "[ . 1 . 2]" 1
818 1 48 LYS HA 1 48 LYS HG3 4.430 . 4.430 3.026 2.771 3.839 . 0 0 "[ . 1 . 2]" 1
819 1 48 LYS HA 1 51 GLU H 4.840 . 4.840 3.451 2.945 3.879 . 0 0 "[ . 1 . 2]" 1
820 1 48 LYS HA 1 51 GLU HB2 5.040 . 5.040 2.845 2.079 4.824 . 0 0 "[ . 1 . 2]" 1
821 1 48 LYS HA 1 51 GLU QB 4.390 . 4.390 2.777 2.070 3.959 . 0 0 "[ . 1 . 2]" 1
822 1 48 LYS HA 1 51 GLU HB3 5.040 . 5.040 4.400 3.793 5.005 . 0 0 "[ . 1 . 2]" 1
823 1 48 LYS HA 1 51 GLU HG2 5.170 . 5.170 3.490 1.906 4.122 . 0 0 "[ . 1 . 2]" 1
824 1 48 LYS HA 1 51 GLU HG3 5.170 . 5.170 3.814 2.865 4.740 . 0 0 "[ . 1 . 2]" 1
825 1 48 LYS HA 1 61 LEU MD1 5.780 . 5.780 3.914 3.756 4.166 . 0 0 "[ . 1 . 2]" 1
826 1 48 LYS HA 1 61 LEU MD2 5.120 . 5.120 4.690 4.393 4.939 . 0 0 "[ . 1 . 2]" 1
827 1 48 LYS QB 1 61 LEU HB3 5.610 . 5.610 4.019 3.636 4.490 . 0 0 "[ . 1 . 2]" 1
828 1 48 LYS QB 1 61 LEU MD1 3.970 . 3.970 2.155 1.963 2.395 . 0 0 "[ . 1 . 2]" 1
829 1 48 LYS QB 1 61 LEU MD2 3.810 . 3.810 2.354 2.150 2.506 . 0 0 "[ . 1 . 2]" 1
830 1 48 LYS HB2 1 49 ILE H 5.780 . 5.780 2.706 2.486 3.005 . 0 0 "[ . 1 . 2]" 1
831 1 48 LYS HB2 1 61 LEU MD1 4.600 . 4.600 2.711 2.421 2.972 . 0 0 "[ . 1 . 2]" 1
832 1 48 LYS HB3 1 49 ILE H 5.780 . 5.780 3.627 3.405 3.861 . 0 0 "[ . 1 . 2]" 1
833 1 48 LYS HB3 1 61 LEU MD1 4.600 . 4.600 2.273 2.005 2.642 . 0 0 "[ . 1 . 2]" 1
834 1 48 LYS QD 1 61 LEU MD1 4.820 . 4.820 3.538 3.256 3.860 . 0 0 "[ . 1 . 2]" 1
835 1 48 LYS QD 1 61 LEU MD2 3.850 . 3.850 2.256 1.852 3.497 . 0 0 "[ . 1 . 2]" 1
836 1 48 LYS QE 1 48 LYS HG2 3.900 . 3.900 2.653 2.396 3.064 . 0 0 "[ . 1 . 2]" 1
837 1 48 LYS QE 1 48 LYS HG3 3.900 . 3.900 2.594 2.385 3.234 . 0 0 "[ . 1 . 2]" 1
838 1 48 LYS QE 1 61 LEU MD1 5.730 . 5.730 5.187 4.547 5.499 . 0 0 "[ . 1 . 2]" 1
839 1 48 LYS QE 1 61 LEU MD2 4.710 . 4.710 3.897 3.051 4.665 . 0 0 "[ . 1 . 2]" 1
840 1 48 LYS QG 1 61 LEU MD1 4.480 . 4.480 3.949 3.567 4.241 . 0 0 "[ . 1 . 2]" 1
841 1 48 LYS QG 1 61 LEU MD2 5.230 . 5.230 3.532 2.682 3.924 . 0 0 "[ . 1 . 2]" 1
842 1 49 ILE H 1 49 ILE HB 4.180 . 4.180 2.451 2.362 2.526 . 0 0 "[ . 1 . 2]" 1
843 1 49 ILE H 1 49 ILE MD 4.530 . 4.530 3.484 3.336 3.648 . 0 0 "[ . 1 . 2]" 1
844 1 49 ILE H 1 49 ILE HG12 5.250 . 5.250 3.631 3.452 3.791 . 0 0 "[ . 1 . 2]" 1
845 1 49 ILE H 1 49 ILE QG 4.430 . 4.430 2.255 2.080 2.419 . 0 0 "[ . 1 . 2]" 1
846 1 49 ILE H 1 49 ILE HG13 5.250 . 5.250 2.277 2.098 2.447 . 0 0 "[ . 1 . 2]" 1
847 1 49 ILE H 1 49 ILE MG 4.680 . 4.680 3.784 3.761 3.816 . 0 0 "[ . 1 . 2]" 1
848 1 49 ILE H 1 50 ASP H 4.320 . 4.320 2.686 2.616 2.801 . 0 0 "[ . 1 . 2]" 1
849 1 49 ILE H 1 52 THR H 5.750 . 5.750 4.866 4.677 5.312 . 0 0 "[ . 1 . 2]" 1
850 1 49 ILE H 1 61 LEU MD1 5.050 . 5.050 3.143 2.916 3.523 . 0 0 "[ . 1 . 2]" 1
851 1 49 ILE H 1 61 LEU MD2 5.490 . 5.490 4.548 4.145 4.871 . 0 0 "[ . 1 . 2]" 1
852 1 49 ILE HA 1 49 ILE MD 4.580 . 4.580 3.909 3.878 3.959 . 0 0 "[ . 1 . 2]" 1
853 1 49 ILE HA 1 52 THR H 5.040 . 5.040 3.710 3.420 4.089 . 0 0 "[ . 1 . 2]" 1
854 1 49 ILE HA 1 52 THR HB 5.250 . 5.250 3.024 2.726 3.647 . 0 0 "[ . 1 . 2]" 1
855 1 49 ILE HA 1 52 THR MG 4.760 . 4.760 4.359 4.100 4.843 0.083 5 0 "[ . 1 . 2]" 1
856 1 49 ILE HA 1 58 LEU MD2 4.360 . 4.360 2.121 1.899 2.293 . 0 0 "[ . 1 . 2]" 1
857 1 49 ILE HA 1 61 LEU MD1 4.270 . 4.270 2.481 2.275 2.844 . 0 0 "[ . 1 . 2]" 1
858 1 49 ILE HA 1 61 LEU MD2 5.410 . 5.410 4.804 4.546 5.182 . 0 0 "[ . 1 . 2]" 1
859 1 49 ILE HB 1 50 ASP H 4.380 . 4.380 2.772 2.605 2.958 . 0 0 "[ . 1 . 2]" 1
860 1 49 ILE MD 1 49 ILE MG 3.420 . 3.420 2.104 2.049 2.189 . 0 0 "[ . 1 . 2]" 1
861 1 49 ILE MD 1 50 ASP H 5.260 . 5.260 4.698 4.506 4.907 . 0 0 "[ . 1 . 2]" 1
862 1 49 ILE MD 1 61 LEU MD2 5.420 . 5.420 4.514 4.155 5.154 . 0 0 "[ . 1 . 2]" 1
863 1 49 ILE MD 1 65 PHE QD 5.030 . 5.030 3.783 3.200 4.376 . 0 0 "[ . 1 . 2]" 1
864 1 49 ILE MD 1 65 PHE QE 4.730 . 4.730 4.096 3.145 4.888 0.158 3 0 "[ . 1 . 2]" 1
865 1 49 ILE QG 1 58 LEU MD2 5.080 . 5.080 2.711 2.412 3.221 . 0 0 "[ . 1 . 2]" 1
866 1 49 ILE QG 1 61 LEU HB2 5.610 . 5.610 3.180 2.761 3.753 . 0 0 "[ . 1 . 2]" 1
867 1 49 ILE QG 1 61 LEU MD1 5.510 . 5.510 2.351 2.062 3.040 . 0 0 "[ . 1 . 2]" 1
868 1 49 ILE MG 1 50 ASP H 4.920 . 4.920 3.443 3.231 3.638 . 0 0 "[ . 1 . 2]" 1
869 1 49 ILE MG 1 50 ASP HA 4.990 . 4.990 3.551 3.335 3.744 . 0 0 "[ . 1 . 2]" 1
870 1 49 ILE MG 1 58 LEU HA 5.550 . 5.550 4.578 3.946 5.076 . 0 0 "[ . 1 . 2]" 1
871 1 49 ILE MG 1 58 LEU MD1 5.040 . 5.040 3.283 2.692 4.019 . 0 0 "[ . 1 . 2]" 1
872 1 49 ILE MG 1 58 LEU MD2 4.130 . 4.130 2.077 1.746 2.456 . 0 0 "[ . 1 . 2]" 1
873 1 50 ASP H 1 50 ASP QB 3.870 . 3.870 2.372 2.269 2.488 . 0 0 "[ . 1 . 2]" 1
874 1 50 ASP H 1 51 GLU H 4.350 . 4.350 2.604 2.494 2.728 . 0 0 "[ . 1 . 2]" 1
875 1 50 ASP H 1 52 THR H 5.500 . 5.500 4.031 3.907 4.226 . 0 0 "[ . 1 . 2]" 1
876 1 50 ASP HA 1 52 THR H 5.470 . 5.470 4.131 3.507 4.459 . 0 0 "[ . 1 . 2]" 1
877 1 50 ASP HB2 1 51 GLU H 5.130 . 5.130 2.857 2.581 3.229 . 0 0 "[ . 1 . 2]" 1
878 1 50 ASP HB3 1 51 GLU H 5.130 . 5.130 3.658 3.443 3.969 . 0 0 "[ . 1 . 2]" 1
879 1 51 GLU H 1 51 GLU HB2 4.380 . 4.380 2.569 2.435 3.655 . 0 0 "[ . 1 . 2]" 1
880 1 51 GLU H 1 51 GLU QB 3.810 . 3.810 2.476 2.400 2.612 . 0 0 "[ . 1 . 2]" 1
881 1 51 GLU H 1 51 GLU HB3 4.380 . 4.380 3.591 2.675 3.685 . 0 0 "[ . 1 . 2]" 1
882 1 51 GLU H 1 51 GLU HG2 4.640 . 4.640 2.399 2.207 2.565 . 0 0 "[ . 1 . 2]" 1
883 1 51 GLU H 1 51 GLU QG 4.050 . 4.050 2.373 2.161 2.535 . 0 0 "[ . 1 . 2]" 1
884 1 51 GLU H 1 51 GLU HG3 4.640 . 4.640 3.769 3.078 3.961 . 0 0 "[ . 1 . 2]" 1
885 1 51 GLU H 1 52 THR H 3.840 . 3.840 2.494 2.387 2.685 . 0 0 "[ . 1 . 2]" 1
886 1 51 GLU H 1 52 THR HB 5.700 . 5.700 4.693 4.536 4.818 . 0 0 "[ . 1 . 2]" 1
887 1 51 GLU H 1 61 LEU MD1 5.590 . 5.590 5.132 4.833 5.527 . 0 0 "[ . 1 . 2]" 1
888 1 51 GLU HA 1 51 GLU QG 3.920 . 3.920 3.058 2.931 3.374 . 0 0 "[ . 1 . 2]" 1
889 1 51 GLU QB 1 52 THR H 4.470 . 4.470 3.104 2.857 3.649 . 0 0 "[ . 1 . 2]" 1
890 1 51 GLU HB2 1 52 THR H 5.130 . 5.130 3.228 2.934 4.047 . 0 0 "[ . 1 . 2]" 1
891 1 51 GLU HB3 1 52 THR H 5.130 . 5.130 4.079 3.893 4.396 . 0 0 "[ . 1 . 2]" 1
892 1 51 GLU QG 1 52 THR H 5.610 . 5.610 4.218 2.440 4.604 . 0 0 "[ . 1 . 2]" 1
893 1 52 THR H 1 52 THR HB 3.860 . 3.860 2.549 2.473 2.762 . 0 0 "[ . 1 . 2]" 1
894 1 52 THR H 1 52 THR HG1 4.340 . 4.340 2.642 2.277 4.112 . 0 0 "[ . 1 . 2]" 1
895 1 52 THR H 1 52 THR MG 3.930 . 3.930 3.841 3.796 3.947 0.017 11 0 "[ . 1 . 2]" 1
896 1 52 THR H 1 53 ASN H 5.420 . 5.420 4.334 4.220 4.392 . 0 0 "[ . 1 . 2]" 1
897 1 52 THR H 1 58 LEU MD2 5.340 . 5.340 3.662 3.459 3.943 . 0 0 "[ . 1 . 2]" 1
898 1 52 THR H 1 61 LEU MD1 5.540 . 5.540 4.342 3.912 5.003 . 0 0 "[ . 1 . 2]" 1
899 1 52 THR HA 1 53 ASN QB 5.300 . 5.300 4.449 4.366 4.582 . 0 0 "[ . 1 . 2]" 1
900 1 52 THR HA 1 54 ASP H 4.780 . 4.780 3.260 3.083 3.455 . 0 0 "[ . 1 . 2]" 1
901 1 52 THR HA 1 58 LEU MD2 5.730 . 5.730 4.556 4.326 4.743 . 0 0 "[ . 1 . 2]" 1
902 1 52 THR HB 1 53 ASN H 5.450 . 5.450 4.336 4.149 4.418 . 0 0 "[ . 1 . 2]" 1
903 1 52 THR HB 1 54 ASP H 5.660 . 5.660 4.190 3.983 4.642 . 0 0 "[ . 1 . 2]" 1
904 1 52 THR HB 1 57 ALA MB 5.260 . 5.260 4.092 3.748 4.351 . 0 0 "[ . 1 . 2]" 1
905 1 52 THR HB 1 58 LEU MD2 4.650 . 4.650 2.217 2.046 2.439 . 0 0 "[ . 1 . 2]" 1
906 1 52 THR HB 1 61 LEU MD1 4.900 . 4.900 2.921 2.545 3.597 . 0 0 "[ . 1 . 2]" 1
907 1 52 THR HG1 1 54 ASP H 5.240 . 5.240 5.284 4.830 5.398 0.158 4 0 "[ . 1 . 2]" 1
908 1 52 THR HG1 1 57 ALA MB 5.600 . 5.600 4.435 3.337 4.895 . 0 0 "[ . 1 . 2]" 1
909 1 52 THR HG1 1 61 LEU MD1 5.480 . 5.480 3.287 2.409 4.491 . 0 0 "[ . 1 . 2]" 1
910 1 52 THR MG 1 53 ASN H 4.610 . 4.610 3.019 2.651 3.140 . 0 0 "[ . 1 . 2]" 1
911 1 52 THR MG 1 53 ASN HA 5.060 . 5.060 3.839 3.605 4.065 . 0 0 "[ . 1 . 2]" 1
912 1 52 THR MG 1 54 ASP H 3.650 . 3.650 1.981 1.753 2.417 . 0 0 "[ . 1 . 2]" 1
913 1 52 THR MG 1 54 ASP HB2 5.780 . 5.780 3.311 2.811 3.982 . 0 0 "[ . 1 . 2]" 1
914 1 52 THR MG 1 54 ASP QB 5.090 . 5.090 2.295 2.068 2.873 . 0 0 "[ . 1 . 2]" 1
915 1 52 THR MG 1 54 ASP HB3 5.780 . 5.780 2.342 2.101 2.946 . 0 0 "[ . 1 . 2]" 1
916 1 52 THR MG 1 57 ALA MB 3.400 . 3.400 1.887 1.776 1.977 . 0 0 "[ . 1 . 2]" 1
917 1 52 THR MG 1 58 LEU H 4.730 . 4.730 3.035 2.745 3.734 . 0 0 "[ . 1 . 2]" 1
918 1 52 THR MG 1 58 LEU HA 5.230 . 5.230 3.575 2.842 4.505 . 0 0 "[ . 1 . 2]" 1
919 1 52 THR MG 1 58 LEU MD1 4.400 . 4.400 3.340 2.975 3.931 . 0 0 "[ . 1 . 2]" 1
920 1 52 THR MG 1 58 LEU MD2 3.990 . 3.990 2.701 2.512 2.904 . 0 0 "[ . 1 . 2]" 1
921 1 52 THR MG 1 58 LEU HG 4.560 . 4.560 2.232 1.938 3.037 . 0 0 "[ . 1 . 2]" 1
922 1 52 THR MG 1 61 LEU MD1 3.720 . 3.720 3.009 2.578 3.500 . 0 0 "[ . 1 . 2]" 1
923 1 53 ASN H 1 54 ASP H 4.170 . 4.170 2.276 2.008 2.514 . 0 0 "[ . 1 . 2]" 1
924 1 53 ASN HA 1 58 LEU MD1 4.940 . 4.940 3.200 2.237 4.001 . 0 0 "[ . 1 . 2]" 1
925 1 53 ASN QB 1 54 ASP H 4.540 . 4.540 3.500 2.923 3.768 . 0 0 "[ . 1 . 2]" 1
926 1 53 ASN HB2 1 54 ASP H 5.300 . 5.300 3.700 3.000 4.073 . 0 0 "[ . 1 . 2]" 1
927 1 53 ASN HB3 1 54 ASP H 5.300 . 5.300 4.345 4.033 4.452 . 0 0 "[ . 1 . 2]" 1
928 1 54 ASP H 1 54 ASP HB2 4.180 . 4.180 2.724 2.386 3.071 . 0 0 "[ . 1 . 2]" 1
929 1 54 ASP H 1 54 ASP HB3 4.180 . 4.180 2.545 2.432 2.713 . 0 0 "[ . 1 . 2]" 1
930 1 54 ASP H 1 57 ALA MB 4.490 . 4.490 3.797 3.486 4.332 . 0 0 "[ . 1 . 2]" 1
931 1 54 ASP H 1 58 LEU HG 5.540 . 5.540 3.791 3.444 4.220 . 0 0 "[ . 1 . 2]" 1
932 1 54 ASP HA 1 57 ALA MB 5.500 . 5.500 4.666 4.466 4.909 . 0 0 "[ . 1 . 2]" 1
933 1 54 ASP QB 1 57 ALA H 4.380 . 4.380 3.120 2.900 3.266 . 0 0 "[ . 1 . 2]" 1
934 1 54 ASP QB 1 57 ALA MB 3.350 . 3.350 2.202 1.921 2.450 . 0 0 "[ . 1 . 2]" 1
935 1 54 ASP HB2 1 57 ALA MB 3.870 . 3.870 3.689 3.376 3.933 0.063 18 0 "[ . 1 . 2]" 1
936 1 54 ASP HB3 1 57 ALA MB 3.870 . 3.870 2.219 1.932 2.477 . 0 0 "[ . 1 . 2]" 1
937 1 55 SER H 1 56 ASP H 4.550 . 4.550 2.722 2.566 2.801 . 0 0 "[ . 1 . 2]" 1
938 1 55 SER HA 1 58 LEU H 4.460 . 4.460 3.588 3.346 3.814 . 0 0 "[ . 1 . 2]" 1
939 1 55 SER HA 1 58 LEU HB2 5.370 . 5.370 2.692 2.365 3.002 . 0 0 "[ . 1 . 2]" 1
940 1 55 SER HA 1 58 LEU QB 4.660 . 4.660 2.664 2.347 2.965 . 0 0 "[ . 1 . 2]" 1
941 1 55 SER HA 1 58 LEU HB3 5.370 . 5.370 4.276 3.942 4.646 . 0 0 "[ . 1 . 2]" 1
942 1 55 SER HA 1 58 LEU MD1 4.610 . 4.610 2.770 2.148 3.344 . 0 0 "[ . 1 . 2]" 1
943 1 55 SER HA 1 58 LEU MD2 5.500 . 5.500 4.957 4.530 5.343 . 0 0 "[ . 1 . 2]" 1
944 1 55 SER HA 1 58 LEU HG 5.780 . 5.780 3.775 3.181 4.440 . 0 0 "[ . 1 . 2]" 1
945 1 55 SER QB 1 56 ASP H 4.400 . 4.400 2.910 2.458 3.577 . 0 0 "[ . 1 . 2]" 1
946 1 55 SER QB 1 58 LEU QB 5.430 . 5.430 4.303 3.806 4.683 . 0 0 "[ . 1 . 2]" 1
947 1 55 SER QB 1 58 LEU MD1 5.590 . 5.590 4.264 3.482 4.887 . 0 0 "[ . 1 . 2]" 1
948 1 55 SER HB2 1 56 ASP H 5.170 . 5.170 3.421 2.503 4.032 . 0 0 "[ . 1 . 2]" 1
949 1 55 SER HB2 1 59 LEU MD1 5.780 . 5.780 4.321 3.428 5.214 . 0 0 "[ . 1 . 2]" 1
950 1 55 SER HB3 1 56 ASP H 5.170 . 5.170 3.527 2.499 4.145 . 0 0 "[ . 1 . 2]" 1
951 1 55 SER HB3 1 59 LEU MD1 5.780 . 5.780 4.406 3.195 5.660 . 0 0 "[ . 1 . 2]" 1
952 1 56 ASP H 1 56 ASP HB2 4.070 . 4.070 2.491 2.410 2.595 . 0 0 "[ . 1 . 2]" 1
953 1 56 ASP H 1 56 ASP QB 3.520 . 3.520 2.450 2.378 2.540 . 0 0 "[ . 1 . 2]" 1
954 1 56 ASP H 1 56 ASP HB3 4.070 . 4.070 3.621 3.595 3.655 . 0 0 "[ . 1 . 2]" 1
955 1 56 ASP H 1 57 ALA H 3.650 . 3.650 2.607 2.474 2.720 . 0 0 "[ . 1 . 2]" 1
956 1 56 ASP H 1 57 ALA MB 4.790 . 4.790 4.297 4.211 4.389 . 0 0 "[ . 1 . 2]" 1
957 1 56 ASP H 1 59 LEU MD1 5.670 . 5.670 4.202 3.834 4.483 . 0 0 "[ . 1 . 2]" 1
958 1 56 ASP HA 1 59 LEU H 5.330 . 5.330 3.408 3.009 3.686 . 0 0 "[ . 1 . 2]" 1
959 1 56 ASP HA 1 59 LEU HB2 4.510 . 4.510 2.628 2.155 2.931 . 0 0 "[ . 1 . 2]" 1
960 1 56 ASP HA 1 59 LEU HB3 5.080 . 5.080 4.155 3.710 4.414 . 0 0 "[ . 1 . 2]" 1
961 1 56 ASP HA 1 59 LEU MD1 4.280 . 4.280 2.068 1.792 2.484 . 0 0 "[ . 1 . 2]" 1
962 1 56 ASP HA 1 59 LEU MD2 5.710 . 5.710 4.482 4.108 4.956 . 0 0 "[ . 1 . 2]" 1
963 1 56 ASP HA 1 59 LEU HG 5.620 . 5.620 3.175 2.688 3.876 . 0 0 "[ . 1 . 2]" 1
964 1 56 ASP QB 1 57 ALA H 4.330 . 4.330 2.608 2.421 2.899 . 0 0 "[ . 1 . 2]" 1
965 1 56 ASP HB2 1 57 ALA H 5.030 . 5.030 2.670 2.477 2.992 . 0 0 "[ . 1 . 2]" 1
966 1 56 ASP HB3 1 57 ALA H 5.030 . 5.030 3.672 3.415 3.899 . 0 0 "[ . 1 . 2]" 1
967 1 57 ALA H 1 57 ALA MB 3.520 . 3.520 2.251 2.229 2.296 . 0 0 "[ . 1 . 2]" 1
968 1 57 ALA H 1 60 GLU QB 5.730 . 5.730 4.801 4.328 5.274 . 0 0 "[ . 1 . 2]" 1
969 1 57 ALA HA 1 59 LEU HB2 5.780 . 5.780 4.905 4.758 5.092 . 0 0 "[ . 1 . 2]" 1
970 1 57 ALA HA 1 60 GLU H 4.860 . 4.860 3.254 2.998 3.553 . 0 0 "[ . 1 . 2]" 1
971 1 57 ALA HA 1 60 GLU QB 4.060 . 4.060 2.535 2.014 2.973 . 0 0 "[ . 1 . 2]" 1
972 1 57 ALA HA 1 60 GLU QG 5.010 . 5.010 4.559 3.970 5.032 0.022 13 0 "[ . 1 . 2]" 1
973 1 57 ALA HA 1 61 LEU H 5.460 . 5.460 4.148 3.849 4.460 . 0 0 "[ . 1 . 2]" 1
974 1 57 ALA MB 1 58 LEU H 4.190 . 4.190 2.751 2.584 2.943 . 0 0 "[ . 1 . 2]" 1
975 1 57 ALA MB 1 58 LEU HA 5.450 . 5.450 4.069 3.967 4.189 . 0 0 "[ . 1 . 2]" 1
976 1 57 ALA MB 1 58 LEU MD2 5.380 . 5.380 4.034 3.442 4.480 . 0 0 "[ . 1 . 2]" 1
977 1 57 ALA MB 1 60 GLU H 5.680 . 5.680 4.491 4.346 4.666 . 0 0 "[ . 1 . 2]" 1
978 1 57 ALA MB 1 60 GLU QB 4.660 . 4.660 3.695 3.275 4.057 . 0 0 "[ . 1 . 2]" 1
979 1 57 ALA MB 1 61 LEU MD1 4.970 . 4.970 3.576 3.312 4.062 . 0 0 "[ . 1 . 2]" 1
980 1 58 LEU H 1 58 LEU QB 3.860 . 3.860 2.361 2.245 2.461 . 0 0 "[ . 1 . 2]" 1
981 1 58 LEU H 1 58 LEU MD1 4.870 . 4.870 3.817 3.643 4.013 . 0 0 "[ . 1 . 2]" 1
982 1 58 LEU H 1 58 LEU MD2 4.750 . 4.750 3.572 3.234 3.857 . 0 0 "[ . 1 . 2]" 1
983 1 58 LEU H 1 58 LEU HG 4.390 . 4.390 2.680 2.516 3.065 . 0 0 "[ . 1 . 2]" 1
984 1 58 LEU H 1 61 LEU MD1 5.620 . 5.620 4.288 4.019 4.651 . 0 0 "[ . 1 . 2]" 1
985 1 58 LEU HA 1 58 LEU MD2 3.930 . 3.930 1.993 1.909 2.049 . 0 0 "[ . 1 . 2]" 1
986 1 58 LEU HA 1 61 LEU H 4.940 . 4.940 3.243 3.090 3.532 . 0 0 "[ . 1 . 2]" 1
987 1 58 LEU HA 1 61 LEU HB2 4.810 . 4.810 2.507 2.257 2.793 . 0 0 "[ . 1 . 2]" 1
988 1 58 LEU HA 1 61 LEU HB3 5.310 . 5.310 4.135 3.931 4.401 . 0 0 "[ . 1 . 2]" 1
989 1 58 LEU HA 1 61 LEU MD1 4.350 . 4.350 2.328 2.135 2.533 . 0 0 "[ . 1 . 2]" 1
990 1 58 LEU HA 1 61 LEU MD2 5.270 . 5.270 4.612 4.403 4.805 . 0 0 "[ . 1 . 2]" 1
991 1 58 LEU QB 1 59 LEU H 4.260 . 4.260 2.735 2.581 2.859 . 0 0 "[ . 1 . 2]" 1
992 1 58 LEU HB2 1 59 LEU H 5.070 . 5.070 2.827 2.657 2.983 . 0 0 "[ . 1 . 2]" 1
993 1 58 LEU HB3 1 59 LEU H 5.070 . 5.070 3.647 3.500 3.794 . 0 0 "[ . 1 . 2]" 1
994 1 58 LEU MD2 1 61 LEU HB2 5.780 . 5.780 3.286 2.853 3.726 . 0 0 "[ . 1 . 2]" 1
995 1 58 LEU MD2 1 61 LEU MD1 3.920 . 3.920 1.895 1.709 2.192 . 0 0 "[ . 1 . 2]" 1
996 1 58 LEU MD2 1 62 GLU H 5.570 . 5.570 4.978 4.489 5.379 . 0 0 "[ . 1 . 2]" 1
997 1 59 LEU H 1 59 LEU HB2 3.920 . 3.920 2.447 2.394 2.525 . 0 0 "[ . 1 . 2]" 1
998 1 59 LEU H 1 59 LEU MD1 4.840 . 4.840 3.665 3.577 3.721 . 0 0 "[ . 1 . 2]" 1
999 1 59 LEU H 1 59 LEU MD2 4.600 . 4.600 3.547 3.361 3.694 . 0 0 "[ . 1 . 2]" 1
1000 1 59 LEU H 1 59 LEU HG 4.530 . 4.530 2.486 2.296 2.631 . 0 0 "[ . 1 . 2]" 1
1001 1 59 LEU H 1 60 GLU H 4.090 . 4.090 2.634 2.530 2.758 . 0 0 "[ . 1 . 2]" 1
1002 1 59 LEU HA 1 59 LEU MD1 4.730 . 4.730 3.940 3.916 3.974 . 0 0 "[ . 1 . 2]" 1
1003 1 59 LEU HA 1 59 LEU MD2 3.800 . 3.800 2.087 2.032 2.161 . 0 0 "[ . 1 . 2]" 1
1004 1 59 LEU HA 1 62 GLU H 5.170 . 5.170 3.593 3.320 3.855 . 0 0 "[ . 1 . 2]" 1
1005 1 59 LEU HA 1 62 GLU HB2 4.840 . 4.840 3.268 2.920 3.730 . 0 0 "[ . 1 . 2]" 1
1006 1 59 LEU HA 1 62 GLU QB 4.260 . 4.260 2.515 2.212 3.056 . 0 0 "[ . 1 . 2]" 1
1007 1 59 LEU HA 1 62 GLU HB3 4.840 . 4.840 2.685 2.284 4.538 . 0 0 "[ . 1 . 2]" 1
1008 1 59 LEU HA 1 62 GLU QG 5.780 . 5.780 4.189 2.793 4.661 . 0 0 "[ . 1 . 2]" 1
1009 1 59 LEU HB2 1 60 GLU H 4.450 . 4.450 2.744 2.604 2.896 . 0 0 "[ . 1 . 2]" 1
1010 1 59 LEU HB2 1 60 GLU HA 5.040 . 5.040 4.483 4.365 4.576 . 0 0 "[ . 1 . 2]" 1
1011 1 59 LEU HB3 1 60 GLU H 4.950 . 4.950 3.660 3.523 3.799 . 0 0 "[ . 1 . 2]" 1
1012 1 59 LEU MD1 1 60 GLU H 5.780 . 5.780 4.650 4.517 4.754 . 0 0 "[ . 1 . 2]" 1
1013 1 59 LEU MD2 1 60 GLU H 5.380 . 5.380 4.777 4.716 4.839 . 0 0 "[ . 1 . 2]" 1
1014 1 60 GLU H 1 60 GLU QB 3.750 . 3.750 2.256 2.216 2.300 . 0 0 "[ . 1 . 2]" 1
1015 1 60 GLU H 1 60 GLU HG2 5.040 . 5.040 4.470 4.424 4.508 . 0 0 "[ . 1 . 2]" 1
1016 1 60 GLU H 1 60 GLU HG3 5.040 . 5.040 4.513 4.452 4.556 . 0 0 "[ . 1 . 2]" 1
1017 1 60 GLU H 1 61 LEU H 4.380 . 4.380 2.665 2.553 2.758 . 0 0 "[ . 1 . 2]" 1
1018 1 60 GLU H 1 61 LEU MD2 5.780 . 5.780 5.532 5.340 5.772 . 0 0 "[ . 1 . 2]" 1
1019 1 60 GLU HA 1 60 GLU HG2 4.290 . 4.290 3.118 2.917 3.261 . 0 0 "[ . 1 . 2]" 1
1020 1 60 GLU HA 1 60 GLU HG3 4.290 . 4.290 2.641 2.540 2.826 . 0 0 "[ . 1 . 2]" 1
1021 1 60 GLU HA 1 63 ASN H 4.790 . 4.790 3.434 3.276 3.588 . 0 0 "[ . 1 . 2]" 1
1022 1 60 GLU HA 1 63 ASN HB2 4.370 . 4.370 3.168 2.691 3.718 . 0 0 "[ . 1 . 2]" 1
1023 1 60 GLU HA 1 63 ASN QB 3.830 . 3.830 2.624 2.344 2.799 . 0 0 "[ . 1 . 2]" 1
1024 1 60 GLU HA 1 63 ASN HB3 4.370 . 4.370 3.211 2.424 4.487 0.117 5 0 "[ . 1 . 2]" 1
1025 1 60 GLU HA 1 63 ASN HD21 5.040 . 5.040 3.720 2.209 5.040 . 0 0 "[ . 1 . 2]" 1
1026 1 60 GLU HA 1 63 ASN HD22 5.580 . 5.580 5.141 3.835 5.711 0.131 9 0 "[ . 1 . 2]" 1
1027 1 60 GLU QB 1 61 LEU H 4.530 . 4.530 2.446 2.332 2.599 . 0 0 "[ . 1 . 2]" 1
1028 1 60 GLU QB 1 64 GLN HE21 5.760 . 5.760 3.988 3.234 5.335 . 0 0 "[ . 1 . 2]" 1
1029 1 60 GLU QG 1 61 LEU H 4.950 . 4.950 3.557 3.365 3.804 . 0 0 "[ . 1 . 2]" 1
1030 1 60 GLU QG 1 61 LEU MD2 5.610 . 5.610 3.845 3.440 4.438 . 0 0 "[ . 1 . 2]" 1
1031 1 60 GLU QG 1 64 GLN HE21 3.750 . 3.750 2.255 1.895 3.192 . 0 0 "[ . 1 . 2]" 1
1032 1 60 GLU QG 1 64 GLN HE22 4.780 . 4.780 2.977 2.061 4.502 . 0 0 "[ . 1 . 2]" 1
1033 1 60 GLU QG 1 64 GLN QG 4.590 . 4.590 2.795 2.347 4.098 . 0 0 "[ . 1 . 2]" 1
1034 1 60 GLU HG2 1 61 LEU H 5.620 . 5.620 3.682 3.463 3.963 . 0 0 "[ . 1 . 2]" 1
1035 1 60 GLU HG2 1 63 ASN H 5.780 . 5.780 5.377 5.116 5.685 . 0 0 "[ . 1 . 2]" 1
1036 1 60 GLU HG2 1 64 GLN HE21 4.270 . 4.270 2.352 1.902 3.380 . 0 0 "[ . 1 . 2]" 1
1037 1 60 GLU HG2 1 64 GLN HE22 5.580 . 5.580 3.161 2.210 4.960 . 0 0 "[ . 1 . 2]" 1
1038 1 60 GLU HG3 1 61 LEU H 5.620 . 5.620 4.710 4.566 4.903 . 0 0 "[ . 1 . 2]" 1
1039 1 60 GLU HG3 1 63 ASN H 5.780 . 5.780 5.637 5.305 5.864 0.084 17 0 "[ . 1 . 2]" 1
1040 1 60 GLU HG3 1 64 GLN HE21 4.270 . 4.270 3.482 2.439 3.951 . 0 0 "[ . 1 . 2]" 1
1041 1 60 GLU HG3 1 64 GLN HE22 5.580 . 5.580 4.159 2.231 5.189 . 0 0 "[ . 1 . 2]" 1
1042 1 61 LEU H 1 61 LEU MD1 4.870 . 4.870 3.587 3.480 3.696 . 0 0 "[ . 1 . 2]" 1
1043 1 61 LEU H 1 61 LEU MD2 4.420 . 4.420 3.443 3.337 3.655 . 0 0 "[ . 1 . 2]" 1
1044 1 61 LEU H 1 61 LEU HG 4.290 . 4.290 2.336 2.199 2.493 . 0 0 "[ . 1 . 2]" 1
1045 1 61 LEU H 1 62 GLU H 4.530 . 4.530 2.668 2.622 2.730 . 0 0 "[ . 1 . 2]" 1
1046 1 61 LEU HA 1 61 LEU MD2 3.560 . 3.560 2.089 2.015 2.179 . 0 0 "[ . 1 . 2]" 1
1047 1 61 LEU HA 1 64 GLN H 4.620 . 4.620 3.483 3.244 3.706 . 0 0 "[ . 1 . 2]" 1
1048 1 61 LEU HA 1 64 GLN HB2 4.730 . 4.730 2.600 2.178 3.081 . 0 0 "[ . 1 . 2]" 1
1049 1 61 LEU HA 1 64 GLN QB 4.150 . 4.150 2.575 2.163 3.038 . 0 0 "[ . 1 . 2]" 1
1050 1 61 LEU HA 1 64 GLN HB3 4.730 . 4.730 4.170 3.686 4.620 . 0 0 "[ . 1 . 2]" 1
1051 1 61 LEU HA 1 64 GLN QG 4.680 . 4.680 3.526 2.927 4.636 . 0 0 "[ . 1 . 2]" 1
1052 1 61 LEU HA 1 65 PHE H 5.780 . 5.780 4.196 4.013 4.389 . 0 0 "[ . 1 . 2]" 1
1053 1 61 LEU HB2 1 62 GLU H 4.900 . 4.900 2.689 2.570 2.807 . 0 0 "[ . 1 . 2]" 1
1054 1 61 LEU HB3 1 62 GLU H 5.280 . 5.280 3.662 3.550 3.766 . 0 0 "[ . 1 . 2]" 1
1055 1 61 LEU HB3 1 62 GLU QB 5.610 . 5.610 4.993 4.748 5.621 0.011 1 0 "[ . 1 . 2]" 1
1056 1 61 LEU MD1 1 62 GLU H 5.780 . 5.780 4.583 4.450 4.705 . 0 0 "[ . 1 . 2]" 1
1057 1 61 LEU MD2 1 64 GLN H 5.660 . 5.660 5.049 4.763 5.211 . 0 0 "[ . 1 . 2]" 1
1058 1 61 LEU MD2 1 64 GLN QB 4.740 . 4.740 3.597 3.129 3.929 . 0 0 "[ . 1 . 2]" 1
1059 1 62 GLU H 1 62 GLU QB 3.830 . 3.830 2.233 2.170 2.532 . 0 0 "[ . 1 . 2]" 1
1060 1 62 GLU H 1 63 ASN H 4.460 . 4.460 2.667 2.518 2.777 . 0 0 "[ . 1 . 2]" 1
1061 1 62 GLU HA 1 65 PHE QD 4.760 . 4.760 2.287 1.929 2.569 . 0 0 "[ . 1 . 2]" 1
1062 1 62 GLU HA 1 65 PHE QE 5.100 . 5.100 2.554 1.892 4.806 . 0 0 "[ . 1 . 2]" 1
1063 1 62 GLU HA 1 66 ASN H 5.780 . 5.780 4.275 3.796 4.994 . 0 0 "[ . 1 . 2]" 1
1064 1 62 GLU HA 1 66 ASN QD 5.530 . 5.530 3.838 3.225 5.510 . 0 0 "[ . 1 . 2]" 1
1065 1 62 GLU QB 1 63 ASN H 4.250 . 4.250 2.460 2.304 2.736 . 0 0 "[ . 1 . 2]" 1
1066 1 62 GLU QB 1 66 ASN QD 5.100 . 5.100 4.161 2.671 5.199 0.099 15 0 "[ . 1 . 2]" 1
1067 1 62 GLU HB2 1 63 ASN H 4.920 . 4.920 3.730 2.387 3.954 . 0 0 "[ . 1 . 2]" 1
1068 1 62 GLU HB3 1 63 ASN H 4.920 . 4.920 2.551 2.340 3.531 . 0 0 "[ . 1 . 2]" 1
1069 1 62 GLU QG 1 63 ASN H 5.430 . 5.430 3.747 3.356 4.288 . 0 0 "[ . 1 . 2]" 1
1070 1 62 GLU QG 1 63 ASN HA 5.780 . 5.780 4.108 3.521 5.816 0.036 1 0 "[ . 1 . 2]" 1
1071 1 62 GLU QG 1 66 ASN HD21 5.110 . 5.110 3.287 2.024 5.095 . 0 0 "[ . 1 . 2]" 1
1072 1 62 GLU QG 1 66 ASN HD22 5.110 . 5.110 2.976 1.971 4.548 . 0 0 "[ . 1 . 2]" 1
1073 1 63 ASN H 1 63 ASN HB2 4.110 . 4.110 2.454 2.341 2.631 . 0 0 "[ . 1 . 2]" 1
1074 1 63 ASN H 1 63 ASN HB3 4.110 . 4.110 2.867 2.444 3.664 . 0 0 "[ . 1 . 2]" 1
1075 1 63 ASN H 1 64 GLN H 4.320 . 4.320 2.658 2.545 2.739 . 0 0 "[ . 1 . 2]" 1
1076 1 63 ASN HA 1 66 ASN H 5.780 . 5.780 3.931 3.699 4.201 . 0 0 "[ . 1 . 2]" 1
1077 1 63 ASN HA 1 66 ASN HB2 4.650 . 4.650 3.012 2.414 3.430 . 0 0 "[ . 1 . 2]" 1
1078 1 63 ASN HA 1 66 ASN HB3 5.250 . 5.250 4.572 3.881 5.053 . 0 0 "[ . 1 . 2]" 1
1079 1 63 ASN HA 1 66 ASN QD 5.610 . 5.610 3.569 2.584 5.288 . 0 0 "[ . 1 . 2]" 1
1080 1 63 ASN HA 1 67 GLU H 5.280 . 5.280 4.191 3.978 4.667 . 0 0 "[ . 1 . 2]" 1
1081 1 63 ASN QB 1 64 GLN H 4.140 . 4.140 2.712 2.352 2.935 . 0 0 "[ . 1 . 2]" 1
1082 1 63 ASN HB2 1 64 GLN H 4.740 . 4.740 3.629 2.871 4.042 . 0 0 "[ . 1 . 2]" 1
1083 1 63 ASN HB3 1 64 GLN H 4.740 . 4.740 3.008 2.380 3.827 . 0 0 "[ . 1 . 2]" 1
1084 1 64 GLN H 1 64 GLN HG2 4.640 . 4.640 3.586 2.580 4.144 . 0 0 "[ . 1 . 2]" 1
1085 1 64 GLN H 1 64 GLN QG 3.960 . 3.960 2.707 2.259 3.742 . 0 0 "[ . 1 . 2]" 1
1086 1 64 GLN H 1 64 GLN HG3 4.640 . 4.640 3.054 2.285 4.263 . 0 0 "[ . 1 . 2]" 1
1087 1 64 GLN H 1 65 PHE H 4.490 . 4.490 2.695 2.486 2.809 . 0 0 "[ . 1 . 2]" 1
1088 1 64 GLN HA 1 64 GLN QG 3.870 . 3.870 2.522 2.313 2.940 . 0 0 "[ . 1 . 2]" 1
1089 1 64 GLN HA 1 67 GLU H 5.270 . 5.270 3.570 3.244 3.805 . 0 0 "[ . 1 . 2]" 1
1090 1 64 GLN HA 1 67 GLU HB2 4.850 . 4.850 3.480 3.099 3.966 . 0 0 "[ . 1 . 2]" 1
1091 1 64 GLN HA 1 67 GLU QB 4.170 . 4.170 2.641 2.127 3.017 . 0 0 "[ . 1 . 2]" 1
1092 1 64 GLN HA 1 67 GLU HB3 4.850 . 4.850 2.740 2.167 3.132 . 0 0 "[ . 1 . 2]" 1
1093 1 64 GLN HA 1 67 GLU HG2 5.780 . 5.780 4.313 3.851 4.859 . 0 0 "[ . 1 . 2]" 1
1094 1 64 GLN HA 1 67 GLU HG3 5.780 . 5.780 4.996 4.365 5.399 . 0 0 "[ . 1 . 2]" 1
1095 1 64 GLN HA 1 68 THR H 5.340 . 5.340 3.955 3.511 4.168 . 0 0 "[ . 1 . 2]" 1
1096 1 64 GLN QB 1 65 PHE H 4.530 . 4.530 2.701 2.539 2.989 . 0 0 "[ . 1 . 2]" 1
1097 1 64 GLN HB2 1 65 PHE H 5.240 . 5.240 2.804 2.610 3.207 . 0 0 "[ . 1 . 2]" 1
1098 1 64 GLN HB3 1 65 PHE H 5.240 . 5.240 3.573 3.398 3.747 . 0 0 "[ . 1 . 2]" 1
1099 1 65 PHE H 1 65 PHE QD 4.750 . 4.750 3.044 2.640 4.113 . 0 0 "[ . 1 . 2]" 1
1100 1 65 PHE H 1 66 ASN H 4.740 . 4.740 2.560 2.446 2.686 . 0 0 "[ . 1 . 2]" 1
1101 1 65 PHE HA 1 67 GLU H 5.780 . 5.780 4.298 4.036 4.433 . 0 0 "[ . 1 . 2]" 1
1102 1 65 PHE HA 1 68 THR H 5.290 . 5.290 3.461 3.121 3.866 . 0 0 "[ . 1 . 2]" 1
1103 1 65 PHE HA 1 68 THR HB 4.440 . 4.440 2.657 2.211 3.136 . 0 0 "[ . 1 . 2]" 1
1104 1 65 PHE HA 1 68 THR MG 5.320 . 5.320 4.020 3.664 4.416 . 0 0 "[ . 1 . 2]" 1
1105 1 65 PHE HA 1 69 ASN H 5.440 . 5.440 3.912 3.681 4.196 . 0 0 "[ . 1 . 2]" 1
1106 1 65 PHE QD 1 66 ASN H 5.570 . 5.570 3.440 3.283 3.732 . 0 0 "[ . 1 . 2]" 1
1107 1 65 PHE QD 1 66 ASN HA 5.100 . 5.100 3.712 3.253 4.335 . 0 0 "[ . 1 . 2]" 1
1108 1 66 ASN H 1 66 ASN HD21 5.780 . 5.780 3.200 2.053 4.727 . 0 0 "[ . 1 . 2]" 1
1109 1 66 ASN H 1 66 ASN QD 5.030 . 5.030 3.056 2.043 4.254 . 0 0 "[ . 1 . 2]" 1
1110 1 66 ASN H 1 66 ASN HD22 5.780 . 5.780 4.135 3.590 4.836 . 0 0 "[ . 1 . 2]" 1
1111 1 66 ASN H 1 67 GLU H 4.540 . 4.540 2.593 2.522 2.689 . 0 0 "[ . 1 . 2]" 1
1112 1 66 ASN HA 1 68 THR H 5.640 . 5.640 4.681 4.570 4.834 . 0 0 "[ . 1 . 2]" 1
1113 1 66 ASN HA 1 69 ASN HB2 4.870 . 4.870 3.565 3.007 4.116 . 0 0 "[ . 1 . 2]" 1
1114 1 66 ASN HA 1 69 ASN HB3 4.730 . 4.730 2.621 2.151 2.978 . 0 0 "[ . 1 . 2]" 1
1115 1 66 ASN HB2 1 67 GLU H 5.100 . 5.100 2.820 2.554 3.041 . 0 0 "[ . 1 . 2]" 1
1116 1 66 ASN HB3 1 67 GLU H 5.200 . 5.200 3.642 3.340 3.865 . 0 0 "[ . 1 . 2]" 1
1117 1 66 ASN QD 1 67 GLU H 5.510 . 5.510 4.611 4.068 5.367 . 0 0 "[ . 1 . 2]" 1
1118 1 67 GLU H 1 67 GLU HB2 4.190 . 4.190 2.526 2.413 2.590 . 0 0 "[ . 1 . 2]" 1
1119 1 67 GLU H 1 67 GLU HB3 4.190 . 4.190 2.565 2.468 2.716 . 0 0 "[ . 1 . 2]" 1
1120 1 67 GLU H 1 67 GLU HG2 5.010 . 5.010 4.653 4.618 4.689 . 0 0 "[ . 1 . 2]" 1
1121 1 67 GLU H 1 67 GLU HG3 5.010 . 5.010 4.519 4.465 4.558 . 0 0 "[ . 1 . 2]" 1
1122 1 67 GLU HA 1 70 ARG H 4.780 . 4.780 3.596 3.372 3.893 . 0 0 "[ . 1 . 2]" 1
1123 1 67 GLU HA 1 70 ARG HB2 4.960 . 4.960 3.229 2.700 4.079 . 0 0 "[ . 1 . 2]" 1
1124 1 67 GLU HA 1 70 ARG QB 4.290 . 4.290 2.826 2.254 3.333 . 0 0 "[ . 1 . 2]" 1
1125 1 67 GLU HA 1 70 ARG HB3 4.960 . 4.960 3.513 2.328 5.015 0.055 8 0 "[ . 1 . 2]" 1
1126 1 67 GLU HA 1 70 ARG QG 5.610 . 5.610 4.254 2.947 5.064 . 0 0 "[ . 1 . 2]" 1
1127 1 67 GLU HA 1 71 LEU H 5.220 . 5.220 4.280 3.977 4.724 . 0 0 "[ . 1 . 2]" 1
1128 1 67 GLU QB 1 71 LEU MD1 5.610 . 5.610 4.082 3.763 4.375 . 0 0 "[ . 1 . 2]" 1
1129 1 67 GLU HB2 1 68 THR H 4.810 . 4.810 3.770 3.616 3.860 . 0 0 "[ . 1 . 2]" 1
1130 1 67 GLU HB3 1 68 THR H 4.810 . 4.810 2.452 2.320 2.662 . 0 0 "[ . 1 . 2]" 1
1131 1 67 GLU QG 1 71 LEU H 5.390 . 5.390 4.619 4.277 4.956 . 0 0 "[ . 1 . 2]" 1
1132 1 67 GLU QG 1 71 LEU MD1 3.720 . 3.720 2.519 2.185 2.990 . 0 0 "[ . 1 . 2]" 1
1133 1 67 GLU QG 1 71 LEU MD2 4.490 . 4.490 3.692 3.324 4.057 . 0 0 "[ . 1 . 2]" 1
1134 1 67 GLU QG 1 71 LEU HG 4.740 . 4.740 3.105 2.669 3.525 . 0 0 "[ . 1 . 2]" 1
1135 1 67 GLU HG2 1 68 THR H 5.780 . 5.780 4.611 4.423 4.912 . 0 0 "[ . 1 . 2]" 1
1136 1 67 GLU HG2 1 71 LEU MD1 4.390 . 4.390 3.734 3.366 4.127 . 0 0 "[ . 1 . 2]" 1
1137 1 67 GLU HG2 1 71 LEU MD2 5.330 . 5.330 4.897 4.442 5.337 0.007 8 0 "[ . 1 . 2]" 1
1138 1 67 GLU HG2 1 71 LEU HG 5.420 . 5.420 4.811 4.387 5.328 . 0 0 "[ . 1 . 2]" 1
1139 1 67 GLU HG3 1 68 THR H 5.780 . 5.780 3.769 3.547 4.089 . 0 0 "[ . 1 . 2]" 1
1140 1 67 GLU HG3 1 71 LEU MD1 4.390 . 4.390 2.562 2.210 3.087 . 0 0 "[ . 1 . 2]" 1
1141 1 67 GLU HG3 1 71 LEU MD2 5.330 . 5.330 3.820 3.433 4.208 . 0 0 "[ . 1 . 2]" 1
1142 1 67 GLU HG3 1 71 LEU HG 5.420 . 5.420 3.144 2.693 3.577 . 0 0 "[ . 1 . 2]" 1
1143 1 68 THR H 1 68 THR HB 4.220 . 4.220 2.544 2.463 2.646 . 0 0 "[ . 1 . 2]" 1
1144 1 68 THR H 1 68 THR MG 4.320 . 4.320 3.800 3.758 3.820 . 0 0 "[ . 1 . 2]" 1
1145 1 68 THR H 1 71 LEU MD1 5.600 . 5.600 4.325 4.017 4.737 . 0 0 "[ . 1 . 2]" 1
1146 1 68 THR HA 1 68 THR MG 3.540 . 3.540 2.493 2.443 2.562 . 0 0 "[ . 1 . 2]" 1
1147 1 68 THR HA 1 71 LEU H 5.530 . 5.530 3.704 3.445 3.898 . 0 0 "[ . 1 . 2]" 1
1148 1 68 THR HA 1 71 LEU HB2 5.090 . 5.090 2.913 2.549 3.246 . 0 0 "[ . 1 . 2]" 1
1149 1 68 THR HA 1 71 LEU QB 4.400 . 4.400 2.878 2.526 3.201 . 0 0 "[ . 1 . 2]" 1
1150 1 68 THR HA 1 71 LEU HB3 5.090 . 5.090 4.487 4.115 4.875 . 0 0 "[ . 1 . 2]" 1
1151 1 68 THR HA 1 71 LEU MD1 4.110 . 4.110 2.493 2.036 3.104 . 0 0 "[ . 1 . 2]" 1
1152 1 68 THR HA 1 71 LEU MD2 5.100 . 5.100 4.836 4.374 5.134 0.034 3 0 "[ . 1 . 2]" 1
1153 1 68 THR HB 1 69 ASN H 4.490 . 4.490 2.566 2.364 2.702 . 0 0 "[ . 1 . 2]" 1
1154 1 68 THR MG 1 69 ASN H 4.380 . 4.380 3.451 3.244 3.593 . 0 0 "[ . 1 . 2]" 1
1155 1 68 THR MG 1 69 ASN HA 4.980 . 4.980 3.536 3.327 3.693 . 0 0 "[ . 1 . 2]" 1
1156 1 68 THR MG 1 71 LEU QB 5.610 . 5.610 3.866 3.504 4.166 . 0 0 "[ . 1 . 2]" 1
1157 1 68 THR MG 1 72 LEU MD1 3.580 . 3.580 2.391 2.046 2.672 . 0 0 "[ . 1 . 2]" 1
1158 1 68 THR MG 1 72 LEU MD2 3.500 . 3.500 3.224 2.866 3.599 0.099 3 0 "[ . 1 . 2]" 1
1159 1 68 THR MG 1 72 LEU HG 4.050 . 4.050 2.769 2.532 3.008 . 0 0 "[ . 1 . 2]" 1
1160 1 69 ASN H 1 69 ASN HB2 4.370 . 4.370 2.582 2.487 2.665 . 0 0 "[ . 1 . 2]" 1
1161 1 69 ASN H 1 72 LEU MD1 5.440 . 5.440 4.101 3.860 4.321 . 0 0 "[ . 1 . 2]" 1
1162 1 69 ASN HA 1 72 LEU HB2 4.810 . 4.810 2.717 2.263 3.053 . 0 0 "[ . 1 . 2]" 1
1163 1 69 ASN HA 1 72 LEU HB3 4.800 . 4.800 4.232 3.743 4.577 . 0 0 "[ . 1 . 2]" 1
1164 1 69 ASN HA 1 72 LEU MD1 4.670 . 4.670 2.059 1.844 2.397 . 0 0 "[ . 1 . 2]" 1
1165 1 69 ASN HA 1 72 LEU MD2 5.070 . 5.070 4.534 4.318 4.834 . 0 0 "[ . 1 . 2]" 1
1166 1 69 ASN HB2 1 70 ARG H 5.470 . 5.470 3.933 3.821 4.057 . 0 0 "[ . 1 . 2]" 1
1167 1 69 ASN HB3 1 70 ARG H 4.980 . 4.980 2.614 2.490 2.765 . 0 0 "[ . 1 . 2]" 1
1168 1 69 ASN HD22 1 73 HIS HE1 4.040 . 4.040 3.498 3.151 3.912 . 0 0 "[ . 1 . 2]" 1
1169 1 70 ARG H 1 70 ARG HB2 4.380 . 4.380 2.416 2.219 2.596 . 0 0 "[ . 1 . 2]" 1
1170 1 70 ARG H 1 70 ARG QB 3.840 . 3.840 2.271 2.152 2.543 . 0 0 "[ . 1 . 2]" 1
1171 1 70 ARG H 1 70 ARG HB3 4.380 . 4.380 2.960 2.410 3.642 . 0 0 "[ . 1 . 2]" 1
1172 1 70 ARG H 1 70 ARG HG2 5.590 . 5.590 4.196 2.791 4.672 . 0 0 "[ . 1 . 2]" 1
1173 1 70 ARG H 1 70 ARG QG 4.850 . 4.850 3.534 2.125 4.102 . 0 0 "[ . 1 . 2]" 1
1174 1 70 ARG H 1 70 ARG HG3 5.590 . 5.590 3.943 2.144 4.560 . 0 0 "[ . 1 . 2]" 1
1175 1 70 ARG HA 1 72 LEU H 5.490 . 5.490 4.362 4.219 4.513 . 0 0 "[ . 1 . 2]" 1
1176 1 70 ARG HA 1 73 HIS H 5.030 . 5.030 3.519 3.346 3.682 . 0 0 "[ . 1 . 2]" 1
1177 1 70 ARG HA 1 73 HIS HB2 4.860 . 4.860 2.993 2.692 3.218 . 0 0 "[ . 1 . 2]" 1
1178 1 70 ARG HA 1 73 HIS QB 4.250 . 4.250 2.958 2.667 3.175 . 0 0 "[ . 1 . 2]" 1
1179 1 70 ARG HA 1 73 HIS HB3 4.860 . 4.860 4.646 4.341 4.899 0.039 10 0 "[ . 1 . 2]" 1
1180 1 70 ARG HA 1 73 HIS HD2 4.970 . 4.970 2.527 2.093 3.005 . 0 0 "[ . 1 . 2]" 1
1181 1 70 ARG HA 1 74 ILE H 5.160 . 5.160 4.362 4.074 4.602 . 0 0 "[ . 1 . 2]" 1
1182 1 70 ARG HA 1 74 ILE MD 5.660 . 5.660 4.350 3.723 4.743 . 0 0 "[ . 1 . 2]" 1
1183 1 70 ARG HA 1 74 ILE HG12 5.780 . 5.780 5.629 5.182 5.843 0.063 3 0 "[ . 1 . 2]" 1
1184 1 70 ARG HA 1 74 ILE HG13 5.780 . 5.780 4.092 3.698 4.364 . 0 0 "[ . 1 . 2]" 1
1185 1 70 ARG QB 1 71 LEU H 4.050 . 4.050 2.461 2.284 2.688 . 0 0 "[ . 1 . 2]" 1
1186 1 70 ARG QB 1 71 LEU MD1 5.610 . 5.610 4.587 4.304 4.864 . 0 0 "[ . 1 . 2]" 1
1187 1 70 ARG QB 1 71 LEU MD2 4.750 . 4.750 3.654 3.286 4.005 . 0 0 "[ . 1 . 2]" 1
1188 1 70 ARG QB 1 71 LEU HG 5.400 . 5.400 3.279 2.942 3.740 . 0 0 "[ . 1 . 2]" 1
1189 1 70 ARG QB 1 74 ILE MD 5.490 . 5.490 3.471 2.462 4.480 . 0 0 "[ . 1 . 2]" 1
1190 1 70 ARG HB2 1 71 LEU H 4.780 . 4.780 3.326 2.321 3.898 . 0 0 "[ . 1 . 2]" 1
1191 1 70 ARG HB3 1 71 LEU H 4.780 . 4.780 2.787 2.344 3.438 . 0 0 "[ . 1 . 2]" 1
1192 1 70 ARG HD2 1 74 ILE MD 5.610 . 5.610 4.318 2.431 5.378 . 0 0 "[ . 1 . 2]" 1
1193 1 70 ARG HD3 1 74 ILE MD 5.610 . 5.610 4.153 2.368 5.692 0.082 8 0 "[ . 1 . 2]" 1
1194 1 70 ARG QG 1 74 ILE MD 3.940 . 3.940 3.081 2.276 4.157 0.217 2 0 "[ . 1 . 2]" 1
1195 1 71 LEU H 1 71 LEU MD1 4.290 . 4.290 3.626 3.531 3.737 . 0 0 "[ . 1 . 2]" 1
1196 1 71 LEU H 1 71 LEU MD2 4.140 . 4.140 3.289 3.111 3.503 . 0 0 "[ . 1 . 2]" 1
1197 1 71 LEU H 1 71 LEU HG 4.260 . 4.260 2.269 2.098 2.483 . 0 0 "[ . 1 . 2]" 1
1198 1 71 LEU H 1 72 LEU MD2 5.780 . 5.780 5.529 5.186 5.818 0.038 11 0 "[ . 1 . 2]" 1
1199 1 71 LEU H 1 74 ILE MD 5.290 . 5.290 4.129 3.852 4.679 . 0 0 "[ . 1 . 2]" 1
1200 1 71 LEU HA 1 71 LEU MD1 4.160 . 4.160 3.937 3.908 3.966 . 0 0 "[ . 1 . 2]" 1
1201 1 71 LEU HA 1 71 LEU MD2 3.360 . 3.360 2.085 2.022 2.137 . 0 0 "[ . 1 . 2]" 1
1202 1 71 LEU HA 1 74 ILE H 5.150 . 5.150 3.571 3.235 3.864 . 0 0 "[ . 1 . 2]" 1
1203 1 71 LEU HA 1 74 ILE HB 4.500 . 4.500 2.758 2.405 3.086 . 0 0 "[ . 1 . 2]" 1
1204 1 71 LEU HA 1 74 ILE MD 3.810 . 3.810 2.457 1.994 2.867 . 0 0 "[ . 1 . 2]" 1
1205 1 71 LEU HA 1 74 ILE HG12 5.780 . 5.780 4.817 4.361 5.273 . 0 0 "[ . 1 . 2]" 1
1206 1 71 LEU HA 1 74 ILE HG13 5.780 . 5.780 3.571 3.011 4.090 . 0 0 "[ . 1 . 2]" 1
1207 1 71 LEU HA 1 74 ILE MG 4.320 . 4.320 4.045 3.702 4.423 0.103 18 0 "[ . 1 . 2]" 1
1208 1 71 LEU HB2 1 72 LEU H 5.400 . 5.400 2.756 2.574 2.958 . 0 0 "[ . 1 . 2]" 1
1209 1 71 LEU HB3 1 72 LEU H 5.400 . 5.400 3.765 3.547 3.987 . 0 0 "[ . 1 . 2]" 1
1210 1 71 LEU MD1 1 72 LEU H 5.060 . 5.060 4.660 4.507 4.838 . 0 0 "[ . 1 . 2]" 1
1211 1 71 LEU MD2 1 72 LEU H 5.780 . 5.780 4.724 4.679 4.781 . 0 0 "[ . 1 . 2]" 1
1212 1 71 LEU MD2 1 74 ILE H 5.480 . 5.480 5.080 4.751 5.311 . 0 0 "[ . 1 . 2]" 1
1213 1 72 LEU H 1 72 LEU MD1 5.240 . 5.240 3.630 3.427 3.703 . 0 0 "[ . 1 . 2]" 1
1214 1 72 LEU H 1 72 LEU MD2 4.380 . 4.380 3.528 3.248 3.805 . 0 0 "[ . 1 . 2]" 1
1215 1 72 LEU H 1 72 LEU HG 4.170 . 4.170 2.465 2.293 2.766 . 0 0 "[ . 1 . 2]" 1
1216 1 72 LEU H 1 75 LYS QB 5.380 . 5.380 4.618 4.372 4.993 . 0 0 "[ . 1 . 2]" 1
1217 1 72 LEU HA 1 72 LEU MD2 3.340 . 3.340 2.105 2.049 2.190 . 0 0 "[ . 1 . 2]" 1
1218 1 72 LEU HB2 1 72 LEU MD2 3.610 . 3.610 3.239 3.228 3.248 . 0 0 "[ . 1 . 2]" 1
1219 1 72 LEU HB2 1 73 HIS H 4.910 . 4.910 2.629 2.406 2.739 . 0 0 "[ . 1 . 2]" 1
1220 1 72 LEU HB3 1 73 HIS H 5.600 . 5.600 3.580 3.327 3.743 . 0 0 "[ . 1 . 2]" 1
1221 1 72 LEU MD1 1 73 HIS H 5.630 . 5.630 4.499 4.320 4.593 . 0 0 "[ . 1 . 2]" 1
1222 1 72 LEU MD1 1 73 HIS HD2 5.410 . 5.410 5.376 5.092 5.546 0.136 14 0 "[ . 1 . 2]" 1
1223 1 72 LEU MD1 1 73 HIS HE1 5.780 . 5.780 6.008 5.879 6.087 0.307 8 0 "[ . 1 . 2]" 1
1224 1 72 LEU MD2 1 73 HIS H 5.470 . 5.470 4.768 4.636 4.832 . 0 0 "[ . 1 . 2]" 1
1225 1 72 LEU MD2 1 73 HIS HA 5.780 . 5.780 5.773 5.447 5.886 0.106 15 0 "[ . 1 . 2]" 1
1226 1 72 LEU MD2 1 75 LYS H 5.330 . 5.330 5.120 4.889 5.368 0.038 12 0 "[ . 1 . 2]" 1
1227 1 72 LEU MD2 1 75 LYS QB 4.760 . 4.760 3.596 3.229 4.079 . 0 0 "[ . 1 . 2]" 1
1228 1 72 LEU MD2 1 75 LYS QD 4.120 . 4.120 3.151 2.380 4.206 0.086 12 0 "[ . 1 . 2]" 1
1229 1 72 LEU MD2 1 75 LYS QE 5.070 . 5.070 3.851 2.441 4.871 . 0 0 "[ . 1 . 2]" 1
1230 1 72 LEU MD2 1 76 GLN HE21 5.780 . 5.780 5.420 4.250 5.983 0.203 11 0 "[ . 1 . 2]" 1
1231 1 73 HIS H 1 73 HIS HD2 4.430 . 4.430 3.315 3.145 3.584 . 0 0 "[ . 1 . 2]" 1
1232 1 73 HIS H 1 74 ILE H 4.270 . 4.270 2.605 2.509 2.673 . 0 0 "[ . 1 . 2]" 1
1233 1 73 HIS H 1 74 ILE HB 5.620 . 5.620 4.768 4.505 4.982 . 0 0 "[ . 1 . 2]" 1
1234 1 73 HIS HA 1 73 HIS HD2 4.830 . 4.830 4.546 4.471 4.630 . 0 0 "[ . 1 . 2]" 1
1235 1 73 HIS HA 1 76 GLN H 4.960 . 4.960 3.693 3.274 4.245 . 0 0 "[ . 1 . 2]" 1
1236 1 73 HIS HA 1 76 GLN QB 3.810 . 3.810 3.379 2.295 3.989 0.179 8 0 "[ . 1 . 2]" 1
1237 1 73 HIS HA 1 76 GLN QG 4.610 . 4.610 3.150 1.808 4.751 0.141 17 0 "[ . 1 . 2]" 1
1238 1 73 HIS HA 1 77 HIS H 5.010 . 5.010 4.010 3.750 4.177 . 0 0 "[ . 1 . 2]" 1
1239 1 73 HIS QB 1 74 ILE MD 5.610 . 5.610 4.482 4.302 4.738 . 0 0 "[ . 1 . 2]" 1
1240 1 73 HIS HB2 1 74 ILE H 4.910 . 4.910 2.802 2.636 2.995 . 0 0 "[ . 1 . 2]" 1
1241 1 73 HIS HB3 1 74 ILE H 4.910 . 4.910 3.685 3.515 3.803 . 0 0 "[ . 1 . 2]" 1
1242 1 73 HIS HD2 1 74 ILE H 5.450 . 5.450 5.060 4.832 5.351 . 0 0 "[ . 1 . 2]" 1
1243 1 74 ILE H 1 74 ILE HB 3.960 . 3.960 2.485 2.341 2.572 . 0 0 "[ . 1 . 2]" 1
1244 1 74 ILE H 1 74 ILE MD 4.210 . 4.210 3.555 3.472 3.649 . 0 0 "[ . 1 . 2]" 1
1245 1 74 ILE H 1 74 ILE HG12 4.610 . 4.610 3.505 3.380 3.723 . 0 0 "[ . 1 . 2]" 1
1246 1 74 ILE H 1 74 ILE QG 3.980 . 3.980 2.178 2.063 2.374 . 0 0 "[ . 1 . 2]" 1
1247 1 74 ILE H 1 74 ILE HG13 4.610 . 4.610 2.200 2.080 2.401 . 0 0 "[ . 1 . 2]" 1
1248 1 74 ILE H 1 74 ILE MG 4.030 . 4.030 3.796 3.742 3.829 . 0 0 "[ . 1 . 2]" 1
1249 1 74 ILE HA 1 74 ILE MD 4.210 . 4.210 3.918 3.891 3.953 . 0 0 "[ . 1 . 2]" 1
1250 1 74 ILE HA 1 74 ILE HG12 4.370 . 4.370 2.635 2.566 2.696 . 0 0 "[ . 1 . 2]" 1
1251 1 74 ILE HA 1 74 ILE HG13 4.370 . 4.370 3.002 2.834 3.128 . 0 0 "[ . 1 . 2]" 1
1252 1 74 ILE HA 1 74 ILE MG 3.690 . 3.690 2.513 2.427 2.602 . 0 0 "[ . 1 . 2]" 1
1253 1 74 ILE HA 1 77 HIS H 5.760 . 5.760 3.726 3.463 3.952 . 0 0 "[ . 1 . 2]" 1
1254 1 74 ILE HA 1 77 HIS HB2 4.730 . 4.730 3.404 2.681 3.971 . 0 0 "[ . 1 . 2]" 1
1255 1 74 ILE HA 1 77 HIS HB3 4.730 . 4.730 2.877 2.398 3.198 . 0 0 "[ . 1 . 2]" 1
1256 1 74 ILE HA 1 77 HIS HD2 5.320 . 5.320 4.864 4.137 5.307 . 0 0 "[ . 1 . 2]" 1
1257 1 74 ILE HB 1 74 ILE MD 3.630 . 3.630 2.447 2.409 2.496 . 0 0 "[ . 1 . 2]" 1
1258 1 74 ILE HB 1 75 LYS H 4.450 . 4.450 2.573 2.308 2.854 . 0 0 "[ . 1 . 2]" 1
1259 1 74 ILE MD 1 75 LYS H 5.340 . 5.340 4.558 4.354 4.766 . 0 0 "[ . 1 . 2]" 1
1260 1 74 ILE MG 1 75 LYS H 4.690 . 4.690 3.408 3.118 3.698 . 0 0 "[ . 1 . 2]" 1
1261 1 74 ILE MG 1 75 LYS HA 4.510 . 4.510 3.505 3.171 3.791 . 0 0 "[ . 1 . 2]" 1
1262 1 74 ILE MG 1 78 GLU HG2 4.800 . 4.800 3.578 2.422 4.443 . 0 0 "[ . 1 . 2]" 1
1263 1 74 ILE MG 1 78 GLU QG 4.130 . 4.130 3.294 2.278 3.921 . 0 0 "[ . 1 . 2]" 1
1264 1 74 ILE MG 1 78 GLU HG3 4.800 . 4.800 3.954 2.772 4.847 0.047 16 0 "[ . 1 . 2]" 1
1265 1 75 LYS H 1 75 LYS QB 3.720 . 3.720 2.211 2.135 2.271 . 0 0 "[ . 1 . 2]" 1
1266 1 75 LYS H 1 75 LYS QD 5.300 . 5.300 4.527 4.111 4.778 . 0 0 "[ . 1 . 2]" 1
1267 1 75 LYS H 1 75 LYS HG2 5.040 . 5.040 4.448 4.279 4.512 . 0 0 "[ . 1 . 2]" 1
1268 1 75 LYS H 1 75 LYS HG3 5.040 . 5.040 4.528 4.455 4.639 . 0 0 "[ . 1 . 2]" 1
1269 1 75 LYS HA 1 78 GLU QG 5.320 . 5.320 3.016 2.428 3.717 . 0 0 "[ . 1 . 2]" 1
1270 1 75 LYS QB 1 76 GLN H 4.320 . 4.320 2.521 2.303 2.692 . 0 0 "[ . 1 . 2]" 1
1271 1 75 LYS QG 1 79 GLU QG 4.910 . 4.910 3.692 2.991 4.746 . 0 0 "[ . 1 . 2]" 1
1272 1 76 GLN H 1 76 GLN HB2 4.230 . 4.230 3.171 2.469 3.684 . 0 0 "[ . 1 . 2]" 1
1273 1 76 GLN H 1 76 GLN QB 3.600 . 3.600 2.373 2.188 2.603 . 0 0 "[ . 1 . 2]" 1
1274 1 76 GLN H 1 76 GLN HB3 4.230 . 4.230 2.495 2.341 2.663 . 0 0 "[ . 1 . 2]" 1
1275 1 76 GLN H 1 76 GLN HG2 4.860 . 4.860 3.349 2.158 4.610 . 0 0 "[ . 1 . 2]" 1
1276 1 76 GLN H 1 76 GLN HG3 4.860 . 4.860 4.012 3.318 4.552 . 0 0 "[ . 1 . 2]" 1
1277 1 76 GLN HA 1 76 GLN QG 3.820 . 3.820 3.034 2.481 3.410 . 0 0 "[ . 1 . 2]" 1
1278 1 76 GLN HA 1 79 GLU QB 3.990 . 3.990 2.838 2.147 3.324 . 0 0 "[ . 1 . 2]" 1
1279 1 76 GLN HA 1 80 VAL MG2 4.710 . 4.710 4.036 3.524 4.429 . 0 0 "[ . 1 . 2]" 1
1280 1 76 GLN QB 1 77 HIS H 4.560 . 4.560 3.236 2.493 3.682 . 0 0 "[ . 1 . 2]" 1
1281 1 76 GLN QB 1 77 HIS HA 5.000 . 5.000 4.502 4.023 4.764 . 0 0 "[ . 1 . 2]" 1
1282 1 76 GLN HB2 1 77 HIS H 5.400 . 5.400 4.084 3.843 4.198 . 0 0 "[ . 1 . 2]" 1
1283 1 76 GLN HB3 1 77 HIS H 5.400 . 5.400 3.474 2.526 4.136 . 0 0 "[ . 1 . 2]" 1
1284 1 76 GLN HE21 1 80 VAL MG2 5.780 . 5.780 5.008 4.000 5.669 . 0 0 "[ . 1 . 2]" 1
1285 1 76 GLN QG 1 80 VAL MG1 5.250 . 5.250 4.942 4.413 5.447 0.197 8 0 "[ . 1 . 2]" 1
1286 1 76 GLN QG 1 80 VAL MG2 4.180 . 4.180 2.794 2.244 3.356 . 0 0 "[ . 1 . 2]" 1
1287 1 76 GLN HG2 1 80 VAL MG2 4.750 . 4.750 3.721 2.476 4.808 0.058 9 0 "[ . 1 . 2]" 1
1288 1 76 GLN HG3 1 80 VAL MG2 4.750 . 4.750 3.104 2.267 3.888 . 0 0 "[ . 1 . 2]" 1
1289 1 77 HIS H 1 78 GLU H 4.340 . 4.340 2.702 2.602 2.766 . 0 0 "[ . 1 . 2]" 1
1290 1 77 HIS HA 1 77 HIS HD2 4.770 . 4.770 4.486 4.144 4.703 . 0 0 "[ . 1 . 2]" 1
1291 1 77 HIS HA 1 80 VAL H 4.910 . 4.910 3.351 3.043 3.874 . 0 0 "[ . 1 . 2]" 1
1292 1 77 HIS HA 1 80 VAL HB 4.260 . 4.260 2.577 2.090 3.105 . 0 0 "[ . 1 . 2]" 1
1293 1 77 HIS HA 1 80 VAL MG1 4.800 . 4.800 3.941 3.505 4.380 . 0 0 "[ . 1 . 2]" 1
1294 1 77 HIS HA 1 80 VAL MG2 4.220 . 4.220 2.893 2.482 3.805 . 0 0 "[ . 1 . 2]" 1
1295 1 77 HIS HA 1 81 GLU H 5.600 . 5.600 4.165 3.922 4.473 . 0 0 "[ . 1 . 2]" 1
1296 1 77 HIS QB 1 78 GLU QG 5.440 . 5.440 3.403 3.161 3.661 . 0 0 "[ . 1 . 2]" 1
1297 1 77 HIS HB2 1 78 GLU H 4.740 . 4.740 3.926 3.803 4.071 . 0 0 "[ . 1 . 2]" 1
1298 1 77 HIS HB3 1 78 GLU H 4.740 . 4.740 2.655 2.477 2.851 . 0 0 "[ . 1 . 2]" 1
1299 1 77 HIS HD2 1 78 GLU HA 5.030 . 5.030 3.707 3.432 4.107 . 0 0 "[ . 1 . 2]" 1
1300 1 77 HIS HD2 1 78 GLU QB 5.210 . 5.210 5.095 4.678 5.310 0.100 18 0 "[ . 1 . 2]" 1
1301 1 77 HIS HD2 1 78 GLU QG 5.030 . 5.030 4.056 3.196 4.585 . 0 0 "[ . 1 . 2]" 1
1302 1 77 HIS HD2 1 81 GLU HG2 5.060 . 5.060 3.599 2.925 5.172 0.112 2 0 "[ . 1 . 2]" 1
1303 1 77 HIS HD2 1 81 GLU HG3 5.060 . 5.060 3.499 3.008 4.194 . 0 0 "[ . 1 . 2]" 1
1304 1 77 HIS HE1 1 80 VAL MG1 5.780 . 5.780 5.103 4.142 5.790 0.010 17 0 "[ . 1 . 2]" 1
1305 1 77 HIS HE1 1 81 GLU HG2 5.300 . 5.300 4.515 3.868 5.037 . 0 0 "[ . 1 . 2]" 1
1306 1 77 HIS HE1 1 81 GLU QG 4.660 . 4.660 4.121 3.584 4.608 . 0 0 "[ . 1 . 2]" 1
1307 1 77 HIS HE1 1 81 GLU HG3 5.300 . 5.300 4.816 4.235 5.436 0.136 12 0 "[ . 1 . 2]" 1
1308 1 78 GLU H 1 78 GLU HB2 4.270 . 4.270 2.587 2.407 2.700 . 0 0 "[ . 1 . 2]" 1
1309 1 78 GLU H 1 78 GLU HB3 4.270 . 4.270 3.608 3.570 3.650 . 0 0 "[ . 1 . 2]" 1
1310 1 78 GLU H 1 78 GLU HG2 4.840 . 4.840 2.272 1.997 3.461 . 0 0 "[ . 1 . 2]" 1
1311 1 78 GLU H 1 78 GLU QG 4.110 . 4.110 2.130 1.986 2.356 . 0 0 "[ . 1 . 2]" 1
1312 1 78 GLU H 1 78 GLU HG3 4.840 . 4.840 3.482 2.151 3.833 . 0 0 "[ . 1 . 2]" 1
1313 1 78 GLU HA 1 78 GLU QG 3.870 . 3.870 3.020 2.477 3.183 . 0 0 "[ . 1 . 2]" 1
1314 1 79 GLU H 1 79 GLU QB 3.520 . 3.520 2.459 2.317 2.576 . 0 0 "[ . 1 . 2]" 1
1315 1 79 GLU H 1 79 GLU HG2 4.600 . 4.600 2.893 2.160 3.699 . 0 0 "[ . 1 . 2]" 1
1316 1 79 GLU H 1 79 GLU QG 4.000 . 4.000 2.288 2.138 2.667 . 0 0 "[ . 1 . 2]" 1
1317 1 79 GLU H 1 79 GLU HG3 4.600 . 4.600 3.017 2.167 3.934 . 0 0 "[ . 1 . 2]" 1
1318 1 79 GLU H 1 80 VAL H 4.070 . 4.070 2.605 2.477 2.731 . 0 0 "[ . 1 . 2]" 1
1319 1 79 GLU H 1 80 VAL MG2 5.580 . 5.580 4.110 3.907 4.427 . 0 0 "[ . 1 . 2]" 1
1320 1 79 GLU HA 1 79 GLU HG2 4.160 . 4.160 2.861 2.457 3.328 . 0 0 "[ . 1 . 2]" 1
1321 1 79 GLU HA 1 79 GLU QG 3.640 . 3.640 2.731 2.385 3.131 . 0 0 "[ . 1 . 2]" 1
1322 1 79 GLU HA 1 79 GLU HG3 4.160 . 4.160 3.465 2.960 3.840 . 0 0 "[ . 1 . 2]" 1
1323 1 79 GLU QB 1 80 VAL H 4.050 . 4.050 2.670 2.445 3.034 . 0 0 "[ . 1 . 2]" 1
1324 1 79 GLU QB 1 80 VAL HA 5.370 . 5.370 3.999 3.708 4.305 . 0 0 "[ . 1 . 2]" 1
1325 1 79 GLU QB 1 80 VAL MG2 4.970 . 4.970 3.251 2.978 3.748 . 0 0 "[ . 1 . 2]" 1
1326 1 79 GLU QG 1 80 VAL H 4.940 . 4.940 4.113 3.878 4.440 . 0 0 "[ . 1 . 2]" 1
1327 1 79 GLU HG2 1 80 VAL H 5.650 . 5.650 4.709 4.088 5.129 . 0 0 "[ . 1 . 2]" 1
1328 1 79 GLU HG3 1 80 VAL H 5.650 . 5.650 4.695 4.138 5.407 . 0 0 "[ . 1 . 2]" 1
1329 1 80 VAL H 1 80 VAL HB 3.650 . 3.650 2.498 2.370 2.616 . 0 0 "[ . 1 . 2]" 1
1330 1 80 VAL H 1 80 VAL MG1 4.190 . 4.190 3.809 3.769 3.835 . 0 0 "[ . 1 . 2]" 1
1331 1 80 VAL H 1 80 VAL MG2 3.370 . 3.370 2.227 2.093 2.447 . 0 0 "[ . 1 . 2]" 1
1332 1 80 VAL H 1 81 GLU H 3.970 . 3.970 2.649 2.414 2.850 . 0 0 "[ . 1 . 2]" 1
1333 1 80 VAL H 1 83 ASP QB 5.780 . 5.780 5.166 4.801 5.782 0.002 1 0 "[ . 1 . 2]" 1
1334 1 80 VAL HA 1 80 VAL MG1 3.560 . 3.560 2.533 2.441 2.625 . 0 0 "[ . 1 . 2]" 1
1335 1 80 VAL HA 1 80 VAL MG2 3.180 . 3.180 2.414 2.331 2.498 . 0 0 "[ . 1 . 2]" 1
1336 1 80 VAL HA 1 83 ASP H 4.940 . 4.940 3.630 3.081 4.095 . 0 0 "[ . 1 . 2]" 1
1337 1 80 VAL HA 1 83 ASP QB 3.890 . 3.890 2.942 2.300 3.483 . 0 0 "[ . 1 . 2]" 1
1338 1 80 VAL HB 1 81 GLU H 3.940 . 3.940 2.798 2.453 3.107 . 0 0 "[ . 1 . 2]" 1
1339 1 80 VAL HB 1 81 GLU HA 5.650 . 5.650 4.496 4.251 4.733 . 0 0 "[ . 1 . 2]" 1
1340 1 80 VAL HB 1 82 LYS H 5.780 . 5.780 5.214 4.863 5.626 . 0 0 "[ . 1 . 2]" 1
1341 1 80 VAL MG1 1 81 GLU H 4.410 . 4.410 3.517 3.222 3.845 . 0 0 "[ . 1 . 2]" 1
1342 1 80 VAL MG1 1 81 GLU HA 4.380 . 4.380 3.578 3.153 3.865 . 0 0 "[ . 1 . 2]" 1
1343 1 80 VAL MG1 1 81 GLU QG 5.610 . 5.610 4.111 3.538 4.679 . 0 0 "[ . 1 . 2]" 1
1344 1 80 VAL MG1 1 83 ASP QB 5.230 . 5.230 4.079 2.851 4.831 . 0 0 "[ . 1 . 2]" 1
1345 1 80 VAL MG1 1 84 LYS H 5.090 . 5.090 4.243 3.827 4.640 . 0 0 "[ . 1 . 2]" 1
1346 1 80 VAL MG1 1 84 LYS QB 4.980 . 4.980 3.568 2.629 4.573 . 0 0 "[ . 1 . 2]" 1
1347 1 80 VAL MG1 1 84 LYS QE 4.350 . 4.350 3.208 1.754 4.426 0.076 16 0 "[ . 1 . 2]" 1
1348 1 80 VAL MG2 1 81 GLU H 4.400 . 4.400 3.983 3.835 4.191 . 0 0 "[ . 1 . 2]" 1
1349 1 80 VAL MG2 1 82 LYS H 5.780 . 5.780 5.524 5.183 5.827 0.047 17 0 "[ . 1 . 2]" 1
1350 1 80 VAL MG2 1 83 ASP QB 5.080 . 5.080 4.538 3.930 5.073 . 0 0 "[ . 1 . 2]" 1
1351 1 81 GLU H 1 81 GLU HB2 4.210 . 4.210 2.534 2.344 2.711 . 0 0 "[ . 1 . 2]" 1
1352 1 81 GLU H 1 81 GLU QB 3.590 . 3.590 2.488 2.314 2.645 . 0 0 "[ . 1 . 2]" 1
1353 1 81 GLU H 1 81 GLU HB3 4.210 . 4.210 3.634 3.576 3.682 . 0 0 "[ . 1 . 2]" 1
1354 1 81 GLU H 1 81 GLU HG2 4.420 . 4.420 2.495 2.192 3.512 . 0 0 "[ . 1 . 2]" 1
1355 1 81 GLU H 1 81 GLU HG3 4.420 . 4.420 3.662 2.251 3.924 . 0 0 "[ . 1 . 2]" 1
1356 1 81 GLU H 1 82 LYS QB 5.780 . 5.780 4.607 4.131 5.433 . 0 0 "[ . 1 . 2]" 1
1357 1 81 GLU H 1 84 LYS QB 5.780 . 5.780 4.756 4.101 5.461 . 0 0 "[ . 1 . 2]" 1
1358 1 81 GLU HA 1 81 GLU QG 3.740 . 3.740 2.990 2.357 3.183 . 0 0 "[ . 1 . 2]" 1
1359 1 81 GLU HA 1 84 LYS QD 4.530 . 4.530 3.334 2.026 4.363 . 0 0 "[ . 1 . 2]" 1
1360 1 81 GLU HB2 1 82 LYS H 4.680 . 4.680 2.708 2.439 2.929 . 0 0 "[ . 1 . 2]" 1
1361 1 81 GLU HB3 1 82 LYS H 4.680 . 4.680 3.703 3.491 3.880 . 0 0 "[ . 1 . 2]" 1
1362 1 81 GLU QG 1 82 LYS H 5.610 . 5.610 4.132 3.912 4.419 . 0 0 "[ . 1 . 2]" 1
1363 1 82 LYS H 1 82 LYS QB 3.560 . 3.560 2.392 2.134 2.884 . 0 0 "[ . 1 . 2]" 1
1364 1 82 LYS H 1 82 LYS QD 5.780 . 5.780 4.099 3.098 4.718 . 0 0 "[ . 1 . 2]" 1
1365 1 82 LYS H 1 82 LYS HG2 5.280 . 5.280 3.748 2.177 4.529 . 0 0 "[ . 1 . 2]" 1
1366 1 82 LYS H 1 82 LYS QG 4.490 . 4.490 3.203 1.888 4.081 . 0 0 "[ . 1 . 2]" 1
1367 1 82 LYS H 1 82 LYS HG3 5.280 . 5.280 3.802 1.896 4.658 . 0 0 "[ . 1 . 2]" 1
1368 1 82 LYS HA 1 82 LYS QG 3.930 . 3.930 2.970 2.450 3.546 . 0 0 "[ . 1 . 2]" 1
1369 1 82 LYS QB 1 83 ASP H 3.980 . 3.980 3.046 2.373 3.746 . 0 0 "[ . 1 . 2]" 1
1370 1 82 LYS QB 1 83 ASP HA 5.240 . 5.240 4.430 4.179 4.741 . 0 0 "[ . 1 . 2]" 1
1371 1 82 LYS QB 1 83 ASP QB 5.370 . 5.370 4.791 4.145 5.447 0.077 11 0 "[ . 1 . 2]" 1
1372 1 82 LYS QD 1 83 ASP H 5.500 . 5.500 3.388 2.136 4.399 . 0 0 "[ . 1 . 2]" 1
1373 1 82 LYS QD 1 83 ASP QB 5.330 . 5.330 4.391 3.517 5.468 0.138 7 0 "[ . 1 . 2]" 1
1374 1 82 LYS QG 1 83 ASP H 4.950 . 4.950 3.430 2.195 4.323 . 0 0 "[ . 1 . 2]" 1
1375 1 82 LYS HG2 1 83 ASP H 5.620 . 5.620 3.987 2.542 4.674 . 0 0 "[ . 1 . 2]" 1
1376 1 82 LYS HG3 1 83 ASP H 5.620 . 5.620 3.955 2.281 5.172 . 0 0 "[ . 1 . 2]" 1
1377 1 83 ASP H 1 83 ASP QB 3.490 . 3.490 2.388 2.269 2.535 . 0 0 "[ . 1 . 2]" 1
1378 1 83 ASP HA 1 85 LYS H 5.780 . 5.780 4.348 4.121 4.632 . 0 0 "[ . 1 . 2]" 1
1379 1 83 ASP HA 1 86 ALA H 5.010 . 5.010 3.626 2.880 4.578 . 0 0 "[ . 1 . 2]" 1
1380 1 83 ASP HA 1 86 ALA MB 3.550 . 3.550 2.359 1.702 3.339 . 0 0 "[ . 1 . 2]" 1
1381 1 83 ASP QB 1 84 LYS H 4.490 . 4.490 2.770 2.469 3.025 . 0 0 "[ . 1 . 2]" 1
1382 1 83 ASP QB 1 84 LYS HA 5.120 . 5.120 4.038 3.875 4.234 . 0 0 "[ . 1 . 2]" 1
1383 1 83 ASP QB 1 84 LYS QB 5.600 . 5.600 4.253 3.727 4.772 . 0 0 "[ . 1 . 2]" 1
1384 1 83 ASP QB 1 86 ALA MB 4.840 . 4.840 3.957 3.497 4.782 . 0 0 "[ . 1 . 2]" 1
1385 1 84 LYS H 1 84 LYS QD 5.020 . 5.020 4.131 2.598 4.939 . 0 0 "[ . 1 . 2]" 1
1386 1 84 LYS H 1 84 LYS QG 4.850 . 4.850 3.390 2.225 4.086 . 0 0 "[ . 1 . 2]" 1
1387 1 84 LYS HA 1 84 LYS QD 4.940 . 4.940 3.980 2.040 4.356 . 0 0 "[ . 1 . 2]" 1
1388 1 84 LYS HA 1 84 LYS QG 3.830 . 3.830 2.527 2.364 2.897 . 0 0 "[ . 1 . 2]" 1
1389 1 85 LYS H 1 85 LYS QB 3.440 . 3.440 2.459 2.287 2.696 . 0 0 "[ . 1 . 2]" 1
1390 1 85 LYS H 1 85 LYS HG2 4.680 . 4.680 3.566 2.377 4.682 0.002 1 0 "[ . 1 . 2]" 1
1391 1 85 LYS H 1 85 LYS QG 4.120 . 4.120 2.784 2.265 4.181 0.061 1 0 "[ . 1 . 2]" 1
1392 1 85 LYS H 1 85 LYS HG3 4.680 . 4.680 3.239 2.290 4.703 0.023 1 0 "[ . 1 . 2]" 1
1393 1 85 LYS HA 1 85 LYS QE 5.230 . 5.230 4.395 3.832 5.062 . 0 0 "[ . 1 . 2]" 1
1394 1 85 LYS QB 1 86 ALA H 4.400 . 4.400 3.302 1.955 3.908 . 0 0 "[ . 1 . 2]" 1
1395 1 86 ALA H 1 86 ALA MB 3.520 . 3.520 2.323 2.236 2.742 . 0 0 "[ . 1 . 2]" 1
1396 1 86 ALA H 1 87 LYS QB 5.470 . 5.470 5.080 4.280 5.790 0.320 10 0 "[ . 1 . 2]" 1
1397 1 86 ALA HA 1 89 GLN HB2 5.250 . 5.250 3.923 1.793 5.283 0.033 16 0 "[ . 1 . 2]" 1
1398 1 86 ALA HA 1 89 GLN QB 4.430 . 4.430 3.412 1.785 4.406 . 0 0 "[ . 1 . 2]" 1
1399 1 86 ALA HA 1 89 GLN HB3 5.250 . 5.250 4.097 2.406 5.440 0.190 15 0 "[ . 1 . 2]" 1
1400 1 86 ALA HA 1 89 GLN QG 5.520 . 5.520 4.668 2.350 5.647 0.127 3 0 "[ . 1 . 2]" 1
1401 1 86 ALA MB 1 87 LYS H 4.170 . 4.170 3.484 2.489 3.753 . 0 0 "[ . 1 . 2]" 1
1402 1 87 LYS H 1 87 LYS HB2 4.290 . 4.290 2.772 2.290 3.617 . 0 0 "[ . 1 . 2]" 1
1403 1 87 LYS H 1 87 LYS QB 3.680 . 3.680 2.499 2.215 3.363 . 0 0 "[ . 1 . 2]" 1
1404 1 87 LYS H 1 87 LYS HB3 4.290 . 4.290 3.056 2.437 4.068 . 0 0 "[ . 1 . 2]" 1
1405 1 87 LYS H 1 87 LYS QD 5.230 . 5.230 4.375 3.381 5.182 . 0 0 "[ . 1 . 2]" 1
1406 1 87 LYS H 1 87 LYS QG 4.840 . 4.840 3.578 2.103 4.525 . 0 0 "[ . 1 . 2]" 1
1407 1 87 LYS HA 1 87 LYS QD 4.690 . 4.690 3.209 2.037 4.339 . 0 0 "[ . 1 . 2]" 1
1408 1 87 LYS HA 1 87 LYS HG2 4.420 . 4.420 3.328 2.575 3.859 . 0 0 "[ . 1 . 2]" 1
1409 1 87 LYS HA 1 87 LYS QG 3.770 . 3.770 2.790 2.474 3.411 . 0 0 "[ . 1 . 2]" 1
1410 1 87 LYS HA 1 87 LYS HG3 4.420 . 4.420 3.126 2.617 3.837 . 0 0 "[ . 1 . 2]" 1
1411 1 88 GLN H 1 88 GLN QG 4.780 . 4.780 3.234 1.856 4.220 . 0 0 "[ . 1 . 2]" 1
1412 1 88 GLN HB2 1 89 GLN H 5.510 . 5.510 3.933 2.039 4.612 . 0 0 "[ . 1 . 2]" 1
1413 1 88 GLN HB3 1 89 GLN H 5.510 . 5.510 3.976 2.676 4.528 . 0 0 "[ . 1 . 2]" 1
1414 1 88 GLN QG 1 89 GLN H 5.610 . 5.610 4.366 3.514 4.975 . 0 0 "[ . 1 . 2]" 1
1415 1 89 GLN QG 1 90 LYS H 5.470 . 5.470 3.673 3.017 4.634 . 0 0 "[ . 1 . 2]" 1
1416 1 90 LYS HA 1 90 LYS QD 5.110 . 5.110 3.876 1.981 4.596 . 0 0 "[ . 1 . 2]" 1
1417 1 91 THR HA 1 92 LEU HB2 5.640 . 5.640 4.774 4.312 5.384 . 0 0 "[ . 1 . 2]" 1
1418 1 91 THR HA 1 92 LEU HB3 5.640 . 5.640 5.018 4.570 5.831 0.191 1 0 "[ . 1 . 2]" 1
1419 1 91 THR HB 1 92 LEU H 5.020 . 5.020 3.959 2.413 4.523 . 0 0 "[ . 1 . 2]" 1
1420 1 92 LEU H 1 92 LEU QB 3.830 . 3.830 2.476 2.197 2.994 . 0 0 "[ . 1 . 2]" 1
1421 1 92 LEU H 1 92 LEU HG 5.440 . 5.440 4.456 2.260 5.237 . 0 0 "[ . 1 . 2]" 1
1422 1 92 LEU HA 1 92 LEU QD 3.910 . 3.910 2.286 2.037 2.863 . 0 0 "[ . 1 . 2]" 1
1423 1 94 GLN QG 1 95 SER H 5.630 . 5.630 4.002 3.124 4.911 . 0 0 "[ . 1 . 2]" 1
1424 1 96 ASP QB 1 97 THR H 4.940 . 4.940 3.587 1.917 4.042 . 0 0 "[ . 1 . 2]" 1
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