NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497714 |
2l55   |
17266 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l55
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 1428
_Distance_constraint_stats_list.Viol_count 1974
_Distance_constraint_stats_list.Viol_total 3447.234
_Distance_constraint_stats_list.Viol_max 0.821
_Distance_constraint_stats_list.Viol_rms 0.0368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0873
_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 1 GLY 3.744 0.647 7 4 "[ . + *1 . * -2]"
1 2 PRO 8.724 0.793 12 8 "[ .****1 + . * -*]"
1 3 GLU 7.043 0.793 12 5 "[ .**- 1 + . *]"
1 4 HIS 2.256 0.543 14 1 "[ . 1 +. 2]"
1 5 ARG 2.091 0.275 12 0 "[ . 1 . 2]"
1 6 ALA 4.708 0.592 14 2 "[ . 1 +. -]"
1 7 VAL 1.449 0.067 16 0 "[ . 1 . 2]"
1 8 GLY 0.210 0.048 9 0 "[ . 1 . 2]"
1 9 ARG 7.482 0.765 12 5 "[ . * 1*+ .- *2]"
1 10 ILE 6.409 0.244 14 0 "[ . 1 . 2]"
1 11 GLN 5.218 0.532 7 1 "[ . + 1 . 2]"
1 12 SER 4.231 0.532 7 1 "[ . + 1 . 2]"
1 13 ILE 1.339 0.077 14 0 "[ . 1 . 2]"
1 14 GLY 4.450 0.337 4 0 "[ . 1 . 2]"
1 15 GLU 3.904 0.337 4 0 "[ . 1 . 2]"
1 16 ARG 4.301 0.184 10 0 "[ . 1 . 2]"
1 17 SER 0.348 0.156 3 0 "[ . 1 . 2]"
1 18 LEU 2.648 0.281 14 0 "[ . 1 . 2]"
1 19 ILE 2.354 0.204 2 0 "[ . 1 . 2]"
1 20 ILE 2.662 0.244 14 0 "[ . 1 . 2]"
1 21 ALA 6.012 0.261 7 0 "[ . 1 . 2]"
1 22 HIS 1.520 0.104 1 0 "[ . 1 . 2]"
1 23 GLU 2.152 0.178 4 0 "[ . 1 . 2]"
1 24 ALA 5.261 0.753 17 1 "[ . 1 . + 2]"
1 25 ILE 7.525 0.753 17 1 "[ . 1 . + 2]"
1 26 PRO 2.211 0.313 2 0 "[ . 1 . 2]"
1 27 SER 0.103 0.052 13 0 "[ . 1 . 2]"
1 28 ALA 0.161 0.029 5 0 "[ . 1 . 2]"
1 29 GLN 2.406 0.313 2 0 "[ . 1 . 2]"
1 30 TRP 2.094 0.194 16 0 "[ . 1 . 2]"
1 31 GLY 2.654 0.160 12 0 "[ . 1 . 2]"
1 32 ALA 2.061 0.194 16 0 "[ . 1 . 2]"
1 33 MET 3.343 0.129 7 0 "[ . 1 . 2]"
1 34 THR 0.495 0.205 4 0 "[ . 1 . 2]"
1 35 MET 6.421 0.211 16 0 "[ . 1 . 2]"
1 36 GLU 2.244 0.195 14 0 "[ . 1 . 2]"
1 37 PHE 3.080 0.821 5 1 "[ + 1 . 2]"
1 38 ALA 0.180 0.070 5 0 "[ . 1 . 2]"
1 39 ALA 4.087 0.768 5 1 "[ + 1 . 2]"
1 40 PRO 0.197 0.197 3 0 "[ . 1 . 2]"
1 41 PRO 0.305 0.197 3 0 "[ . 1 . 2]"
1 42 ALA 0.189 0.034 10 0 "[ . 1 . 2]"
1 43 GLY 3.309 0.211 2 0 "[ . 1 . 2]"
1 44 LEU 2.624 0.211 2 0 "[ . 1 . 2]"
1 45 PRO 5.252 0.452 4 0 "[ . 1 . 2]"
1 46 GLN 11.688 0.742 5 8 "[ ***+- *1 * *]"
1 47 GLY 2.756 0.442 4 0 "[ . 1 . 2]"
1 48 LEU 8.054 0.187 20 0 "[ . 1 . 2]"
1 49 LYS 6.306 0.578 17 2 "[ . 1 - + 2]"
1 50 ALA 7.311 0.578 17 2 "[ . 1 - + 2]"
1 51 GLY 4.891 0.765 12 5 "[ . * 1*+ .- *2]"
1 52 ASP 6.448 0.543 7 1 "[ . + 1 . 2]"
1 53 ARG 6.634 0.543 7 1 "[ . + 1 . 2]"
1 54 VAL 10.308 0.585 20 2 "[- . 1 . +]"
1 55 ALA 1.656 0.131 17 0 "[ . 1 . 2]"
1 56 PHE 7.660 0.585 20 2 "[* . 1 . +]"
1 57 SER 7.435 0.798 14 1 "[ . 1 +. 2]"
1 58 PHE 4.094 0.531 11 1 "[ . 1+ . 2]"
1 59 ARG 5.102 0.673 11 3 "[ . - 1+* . 2]"
1 60 LEU 1.560 0.122 1 0 "[ . 1 . 2]"
1 61 ASP 9.103 0.537 7 2 "[ -. + 1 . 2]"
1 62 PRO 7.262 0.537 7 2 "[ -. + 1 . 2]"
1 63 HIS 5.139 0.295 16 0 "[ . 1 . 2]"
1 64 GLY 2.310 0.151 9 0 "[ . 1 . 2]"
1 65 MET 1.038 0.379 4 0 "[ . 1 . 2]"
1 66 ALA 4.174 0.226 19 0 "[ . 1 . 2]"
1 67 THR 4.307 0.226 19 0 "[ . 1 . 2]"
1 68 LEU 4.535 0.821 5 1 "[ + 1 . 2]"
1 69 VAL 12.233 0.798 14 4 "[ . * 1-* +. 2]"
1 70 THR 2.498 0.205 20 0 "[ . 1 . 2]"
1 71 VAL 5.843 0.300 14 0 "[ . 1 . 2]"
1 72 ALA 0.763 0.156 14 0 "[ . 1 . 2]"
1 73 PRO 0.425 0.170 5 0 "[ . 1 . 2]"
1 74 GLN 4.632 0.300 17 0 "[ . 1 . 2]"
1 75 VAL 5.495 0.268 9 0 "[ . 1 . 2]"
1 76 GLN 9.209 0.391 12 0 "[ . 1 . 2]"
1 77 THR 5.988 0.391 12 0 "[ . 1 . 2]"
1 78 ALA 2.737 0.298 19 0 "[ . 1 . 2]"
1 79 GLY 0.103 0.048 18 0 "[ . 1 . 2]"
1 80 ALA 0.028 0.016 16 0 "[ . 1 . 2]"
1 81 LYS 0.028 0.016 16 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 1 GLY HA2 1 2 PRO HD2 3.450 . 3.450 2.754 1.908 4.097 0.647 7 1 "[ . + 1 . 2]" 1
2 1 1 GLY HA2 1 2 PRO HD3 3.390 . 3.390 2.429 1.793 3.238 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY HA3 1 2 PRO HD3 3.510 . 3.510 3.270 1.851 4.120 0.610 17 3 "[ . *1 . + -2]" 1
4 1 2 PRO HA 1 3 GLU H 2.680 . 2.680 2.197 2.086 2.544 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO HB2 1 3 GLU H 4.080 . 4.080 3.342 2.587 3.952 . 0 0 "[ . 1 . 2]" 1
6 1 2 PRO HB3 1 3 GLU H 3.790 . 3.790 3.557 2.813 4.092 0.302 19 0 "[ . 1 . 2]" 1
7 1 2 PRO HB3 1 4 HIS HE1 6.000 . 6.000 4.320 3.122 5.944 . 0 0 "[ . 1 . 2]" 1
8 1 2 PRO HD2 1 60 LEU H 5.500 . 5.500 3.783 3.184 5.173 . 0 0 "[ . 1 . 2]" 1
9 1 2 PRO HG2 1 3 GLU H 4.870 . 4.870 5.047 4.565 5.663 0.793 12 5 "[ .**- 1 + . *]" 1
10 1 2 PRO HG3 1 4 HIS HE1 6.000 . 6.000 4.700 3.522 5.840 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU H 1 3 GLU QB 3.110 . 3.110 2.316 2.263 2.416 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU H 1 59 ARG HA 5.500 . 5.500 4.466 4.240 4.944 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU H 1 59 ARG QD 5.500 . 5.500 4.677 4.198 5.225 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU HA 1 3 GLU HG2 4.200 . 4.200 3.026 2.607 3.136 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU HA 1 4 HIS H 2.870 . 2.870 2.165 2.121 2.233 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 4 HIS HD2 4.200 . 4.200 4.106 3.591 4.263 0.063 4 0 "[ . 1 . 2]" 1
17 1 3 GLU HA 1 59 ARG HA 3.900 . 3.900 2.129 1.895 2.386 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU HA 1 59 ARG QG 3.600 . 3.600 2.414 2.006 2.819 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU HA 1 60 LEU H 5.500 . 5.500 3.752 2.963 4.179 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU HA 1 69 VAL MG2 4.650 . 4.650 4.097 3.594 4.822 0.172 12 0 "[ . 1 . 2]" 1
21 1 3 GLU QB 1 4 HIS H 3.920 . 3.920 3.743 3.633 3.903 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLU QB 1 57 SER HB2 5.470 . 5.470 4.587 4.049 5.896 0.426 14 0 "[ . 1 . 2]" 1
23 1 3 GLU QB 1 59 ARG QD 3.290 . 3.290 3.157 2.378 3.363 0.073 12 0 "[ . 1 . 2]" 1
24 1 3 GLU QB 1 59 ARG QG 3.090 . 3.090 2.170 1.895 2.465 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU QB 1 60 LEU H 5.500 . 5.500 5.309 4.537 5.560 0.060 11 0 "[ . 1 . 2]" 1
26 1 3 GLU QB 1 69 VAL MG2 4.150 . 4.150 3.546 3.025 4.273 0.123 12 0 "[ . 1 . 2]" 1
27 1 3 GLU HG2 1 4 HIS H 5.500 . 5.500 2.987 2.302 3.453 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLU HG2 1 57 SER HB2 4.590 . 4.590 2.687 2.084 4.068 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU HG2 1 57 SER HB3 4.320 . 4.320 3.814 2.369 4.374 0.054 4 0 "[ . 1 . 2]" 1
30 1 3 GLU HG2 1 59 ARG QG 5.090 . 5.090 4.011 3.526 4.554 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLU HG2 1 69 VAL MG2 4.640 . 4.640 3.661 2.999 4.358 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU HG3 1 59 ARG H 5.060 . 5.060 4.399 3.971 5.072 0.012 15 0 "[ . 1 . 2]" 1
33 1 3 GLU HG3 1 59 ARG QG 4.650 . 4.650 2.754 2.167 4.316 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLU HG3 1 69 VAL MG2 4.550 . 4.550 2.373 2.020 2.852 . 0 0 "[ . 1 . 2]" 1
35 1 4 HIS H 1 4 HIS HB2 3.860 . 3.860 2.747 2.661 2.848 . 0 0 "[ . 1 . 2]" 1
36 1 4 HIS H 1 4 HIS HD2 4.210 . 4.210 3.329 2.945 3.814 . 0 0 "[ . 1 . 2]" 1
37 1 4 HIS H 1 27 SER QB 5.500 . 5.500 5.073 4.853 5.352 . 0 0 "[ . 1 . 2]" 1
38 1 4 HIS H 1 57 SER HB2 5.340 . 5.340 4.382 3.674 5.883 0.543 14 1 "[ . 1 +. 2]" 1
39 1 4 HIS H 1 58 PHE H 4.170 . 4.170 2.883 2.536 3.278 . 0 0 "[ . 1 . 2]" 1
40 1 4 HIS H 1 58 PHE HA 5.500 . 5.500 4.684 4.566 4.971 . 0 0 "[ . 1 . 2]" 1
41 1 4 HIS H 1 58 PHE QD 5.430 . 5.430 4.228 4.045 4.365 . 0 0 "[ . 1 . 2]" 1
42 1 4 HIS H 1 58 PHE QE 5.500 . 5.500 4.670 4.528 4.857 . 0 0 "[ . 1 . 2]" 1
43 1 4 HIS H 1 58 PHE HZ 5.500 . 5.500 5.479 5.270 5.605 0.105 14 0 "[ . 1 . 2]" 1
44 1 4 HIS H 1 59 ARG HA 4.560 . 4.560 3.227 3.015 3.733 . 0 0 "[ . 1 . 2]" 1
45 1 4 HIS HA 1 5 ARG H 2.830 . 2.830 2.285 2.171 2.447 . 0 0 "[ . 1 . 2]" 1
46 1 4 HIS HB2 1 5 ARG H 3.840 . 3.840 3.815 3.477 4.115 0.275 12 0 "[ . 1 . 2]" 1
47 1 4 HIS HB2 1 58 PHE QE 6.000 . 6.000 3.212 2.755 3.489 . 0 0 "[ . 1 . 2]" 1
48 1 4 HIS HB3 1 5 ARG H 4.250 . 4.250 2.900 2.485 3.403 . 0 0 "[ . 1 . 2]" 1
49 1 4 HIS HB3 1 27 SER H 5.500 . 5.500 4.514 4.193 4.833 . 0 0 "[ . 1 . 2]" 1
50 1 4 HIS HD2 1 28 ALA MB 6.000 . 6.000 3.778 3.157 4.748 . 0 0 "[ . 1 . 2]" 1
51 1 4 HIS HD2 1 58 PHE QD 6.000 . 6.000 4.323 3.699 4.854 . 0 0 "[ . 1 . 2]" 1
52 1 4 HIS HD2 1 58 PHE QE 4.200 . 4.200 3.543 2.683 4.096 . 0 0 "[ . 1 . 2]" 1
53 1 4 HIS HD2 1 60 LEU H 4.610 . 4.610 3.433 2.561 4.259 . 0 0 "[ . 1 . 2]" 1
54 1 4 HIS HD2 1 60 LEU HA 6.000 . 6.000 5.090 4.466 5.770 . 0 0 "[ . 1 . 2]" 1
55 1 4 HIS HD2 1 60 LEU HB2 6.000 . 6.000 3.152 2.359 3.933 . 0 0 "[ . 1 . 2]" 1
56 1 4 HIS HD2 1 60 LEU HB3 6.000 . 6.000 4.739 4.030 5.387 . 0 0 "[ . 1 . 2]" 1
57 1 4 HIS HD2 1 60 LEU QD . . 4.200 2.909 2.501 3.493 . 0 0 "[ . 1 . 2]" 1
58 1 4 HIS HD2 1 60 LEU HG 4.200 . 4.200 3.084 2.547 3.572 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG H 1 5 ARG QB 3.820 . 3.820 2.392 2.178 2.896 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG H 1 5 ARG QD 4.650 . 4.650 4.007 3.415 4.489 . 0 0 "[ . 1 . 2]" 1
61 1 5 ARG H 1 5 ARG QG 4.000 . 4.000 2.758 2.024 4.087 0.087 1 0 "[ . 1 . 2]" 1
62 1 5 ARG H 1 6 ALA HA 5.500 . 5.500 5.318 5.142 5.513 0.013 11 0 "[ . 1 . 2]" 1
63 1 5 ARG H 1 6 ALA MB 5.500 . 5.500 4.876 4.763 5.020 . 0 0 "[ . 1 . 2]" 1
64 1 5 ARG H 1 25 ILE MG 5.040 . 5.040 4.467 3.784 5.074 0.034 17 0 "[ . 1 . 2]" 1
65 1 5 ARG H 1 27 SER QB 4.950 . 4.950 3.009 2.079 4.194 . 0 0 "[ . 1 . 2]" 1
66 1 5 ARG H 1 57 SER HA 5.420 . 5.420 4.648 4.360 4.945 . 0 0 "[ . 1 . 2]" 1
67 1 5 ARG H 1 57 SER HB2 5.500 . 5.500 5.092 4.332 5.650 0.150 11 0 "[ . 1 . 2]" 1
68 1 5 ARG H 1 57 SER HB3 5.500 . 5.500 5.077 4.109 5.615 0.115 14 0 "[ . 1 . 2]" 1
69 1 5 ARG H 1 58 PHE QE 5.500 . 5.500 5.110 4.540 5.590 0.090 12 0 "[ . 1 . 2]" 1
70 1 5 ARG HA 1 5 ARG QD 5.140 . 5.140 2.992 1.792 4.467 . 0 0 "[ . 1 . 2]" 1
71 1 5 ARG HA 1 6 ALA H 2.970 . 2.970 2.252 2.165 2.339 . 0 0 "[ . 1 . 2]" 1
72 1 5 ARG HA 1 57 SER HA 3.440 . 3.440 2.114 1.623 2.600 . 0 0 "[ . 1 . 2]" 1
73 1 5 ARG HA 1 57 SER HB2 4.950 . 4.950 3.447 2.441 3.885 . 0 0 "[ . 1 . 2]" 1
74 1 5 ARG HA 1 57 SER HB3 4.530 . 4.530 3.040 2.358 3.907 . 0 0 "[ . 1 . 2]" 1
75 1 5 ARG HA 1 58 PHE H 5.460 . 5.460 3.536 2.770 4.173 . 0 0 "[ . 1 . 2]" 1
76 1 5 ARG HA 1 58 PHE QD 6.000 . 6.000 4.109 3.473 5.010 . 0 0 "[ . 1 . 2]" 1
77 1 5 ARG QB 1 6 ALA H 4.170 . 4.170 2.799 2.351 3.561 . 0 0 "[ . 1 . 2]" 1
78 1 5 ARG QB 1 7 VAL H 5.500 . 5.500 5.266 5.099 5.449 . 0 0 "[ . 1 . 2]" 1
79 1 5 ARG QD 1 6 ALA H 5.110 . 5.110 3.929 2.713 4.785 . 0 0 "[ . 1 . 2]" 1
80 1 5 ARG QD 1 56 PHE H 5.500 . 5.500 5.240 4.449 5.602 0.102 6 0 "[ . 1 . 2]" 1
81 1 5 ARG QD 1 57 SER HA 5.130 . 5.130 4.025 2.586 5.158 0.028 16 0 "[ . 1 . 2]" 1
82 1 5 ARG QD 1 57 SER HB2 5.350 . 5.350 3.960 2.555 5.426 0.076 16 0 "[ . 1 . 2]" 1
83 1 5 ARG QD 1 57 SER HB3 5.050 . 5.050 3.026 1.705 5.265 0.215 14 0 "[ . 1 . 2]" 1
84 1 6 ALA H 1 7 VAL H 5.030 . 5.030 4.253 4.119 4.305 . 0 0 "[ . 1 . 2]" 1
85 1 6 ALA H 1 7 VAL HA 5.030 . 5.030 4.665 4.585 4.756 . 0 0 "[ . 1 . 2]" 1
86 1 6 ALA H 1 7 VAL MG1 5.500 . 5.500 4.126 3.893 4.377 . 0 0 "[ . 1 . 2]" 1
87 1 6 ALA H 1 25 ILE MG 5.500 . 5.500 4.906 4.247 5.473 . 0 0 "[ . 1 . 2]" 1
88 1 6 ALA H 1 55 ALA HA 5.170 . 5.170 5.056 4.950 5.227 0.057 20 0 "[ . 1 . 2]" 1
89 1 6 ALA H 1 56 PHE H 3.800 . 3.800 3.299 3.188 3.587 . 0 0 "[ . 1 . 2]" 1
90 1 6 ALA H 1 56 PHE HB3 5.500 . 5.500 5.653 5.550 6.005 0.505 20 1 "[ . 1 . +]" 1
91 1 6 ALA H 1 56 PHE QD 4.930 . 4.930 4.043 3.802 4.358 . 0 0 "[ . 1 . 2]" 1
92 1 6 ALA H 1 56 PHE QE 5.500 . 5.500 4.671 4.324 5.065 . 0 0 "[ . 1 . 2]" 1
93 1 6 ALA H 1 57 SER HA 3.850 . 3.850 2.883 2.465 3.143 . 0 0 "[ . 1 . 2]" 1
94 1 6 ALA H 1 57 SER HB2 5.350 . 5.350 5.046 3.936 5.392 0.042 9 0 "[ . 1 . 2]" 1
95 1 6 ALA H 1 57 SER HB3 4.800 . 4.800 4.406 3.727 5.392 0.592 14 1 "[ . 1 +. 2]" 1
96 1 6 ALA H 1 58 PHE QD 5.500 . 5.500 4.009 3.663 4.453 . 0 0 "[ . 1 . 2]" 1
97 1 6 ALA HA 1 7 VAL H 2.960 . 2.960 2.206 2.123 2.299 . 0 0 "[ . 1 . 2]" 1
98 1 6 ALA HA 1 7 VAL HA 4.480 . 4.480 4.403 4.381 4.444 . 0 0 "[ . 1 . 2]" 1
99 1 6 ALA HA 1 7 VAL MG1 5.130 . 5.130 3.753 3.687 3.916 . 0 0 "[ . 1 . 2]" 1
100 1 6 ALA HA 1 7 VAL MG2 4.650 . 4.650 3.691 3.601 3.785 . 0 0 "[ . 1 . 2]" 1
101 1 6 ALA MB 1 7 VAL H 3.240 . 3.240 2.831 2.513 3.122 . 0 0 "[ . 1 . 2]" 1
102 1 6 ALA MB 1 7 VAL HA 5.160 . 5.160 4.006 3.909 4.093 . 0 0 "[ . 1 . 2]" 1
103 1 6 ALA MB 1 7 VAL MG1 4.500 . 4.500 4.377 4.289 4.485 . 0 0 "[ . 1 . 2]" 1
104 1 6 ALA MB 1 8 GLY H 5.500 . 5.500 5.206 4.982 5.335 . 0 0 "[ . 1 . 2]" 1
105 1 6 ALA MB 1 22 HIS HB2 4.810 . 4.810 2.793 2.405 3.092 . 0 0 "[ . 1 . 2]" 1
106 1 6 ALA MB 1 22 HIS HB3 5.000 . 5.000 3.549 3.197 3.809 . 0 0 "[ . 1 . 2]" 1
107 1 6 ALA MB 1 22 HIS HD2 6.000 . 6.000 4.858 4.550 5.237 . 0 0 "[ . 1 . 2]" 1
108 1 6 ALA MB 1 23 GLU H 5.500 . 5.500 4.351 3.778 4.790 . 0 0 "[ . 1 . 2]" 1
109 1 6 ALA MB 1 25 ILE HB 5.280 . 5.280 4.379 4.069 5.015 . 0 0 "[ . 1 . 2]" 1
110 1 6 ALA MB 1 25 ILE HG12 3.960 . 3.960 2.325 1.719 4.158 0.198 17 0 "[ . 1 . 2]" 1
111 1 6 ALA MB 1 25 ILE HG13 4.640 . 4.640 3.405 3.086 3.747 . 0 0 "[ . 1 . 2]" 1
112 1 6 ALA MB 1 56 PHE H 5.040 . 5.040 4.124 3.758 4.387 . 0 0 "[ . 1 . 2]" 1
113 1 6 ALA MB 1 56 PHE QE 4.200 . 4.200 2.357 2.226 2.511 . 0 0 "[ . 1 . 2]" 1
114 1 6 ALA MB 1 56 PHE HZ 6.000 . 6.000 3.014 2.691 3.342 . 0 0 "[ . 1 . 2]" 1
115 1 6 ALA MB 1 58 PHE QD 6.000 . 6.000 2.706 2.191 3.153 . 0 0 "[ . 1 . 2]" 1
116 1 6 ALA MB 1 58 PHE QE 4.200 . 4.200 1.864 1.748 2.311 0.052 17 0 "[ . 1 . 2]" 1
117 1 6 ALA MB 1 58 PHE HZ 6.000 . 6.000 3.809 3.375 4.254 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL H 1 7 VAL HB 4.010 . 4.010 3.766 3.718 3.812 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL H 1 7 VAL MG2 3.600 . 3.600 2.072 1.976 2.139 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL H 1 8 GLY H 4.880 . 4.880 4.486 4.447 4.518 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL H 1 8 GLY HA2 5.500 . 5.500 5.216 5.063 5.308 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL H 1 8 GLY HA3 5.500 . 5.500 5.145 5.034 5.308 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL H 1 22 HIS HA 5.500 . 5.500 5.128 4.764 5.438 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL H 1 22 HIS HB2 5.210 . 5.210 4.132 3.729 4.463 . 0 0 "[ . 1 . 2]" 1
125 1 7 VAL H 1 22 HIS HB3 5.500 . 5.500 5.355 5.047 5.536 0.036 14 0 "[ . 1 . 2]" 1
126 1 7 VAL H 1 23 GLU QB 4.600 . 4.600 3.885 3.368 4.475 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL H 1 23 GLU QG 5.500 . 5.500 3.992 2.297 5.308 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL H 1 55 ALA HA 5.120 . 5.120 4.986 4.855 5.073 . 0 0 "[ . 1 . 2]" 1
129 1 7 VAL H 1 55 ALA MB 5.500 . 5.500 5.493 5.321 5.554 0.054 11 0 "[ . 1 . 2]" 1
130 1 7 VAL H 1 56 PHE QE 5.010 . 5.010 4.795 4.585 5.014 0.004 15 0 "[ . 1 . 2]" 1
131 1 7 VAL H 1 56 PHE HZ 5.500 . 5.500 5.043 4.796 5.294 . 0 0 "[ . 1 . 2]" 1
132 1 7 VAL HA 1 7 VAL MG1 3.720 . 3.720 2.327 2.297 2.354 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL HA 1 8 GLY H 2.930 . 2.930 2.299 2.233 2.373 . 0 0 "[ . 1 . 2]" 1
134 1 7 VAL HA 1 8 GLY HA3 5.060 . 5.060 4.308 4.244 4.334 . 0 0 "[ . 1 . 2]" 1
135 1 7 VAL HA 1 54 VAL H 5.500 . 5.500 4.994 4.782 5.149 . 0 0 "[ . 1 . 2]" 1
136 1 7 VAL HA 1 55 ALA MB 4.440 . 4.440 3.856 3.703 3.964 . 0 0 "[ . 1 . 2]" 1
137 1 7 VAL HA 1 56 PHE QE 5.200 . 5.200 3.243 2.908 3.509 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL HB 1 8 GLY H 3.450 . 3.450 2.736 2.551 2.922 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL HB 1 23 GLU H 5.500 . 5.500 5.207 4.949 5.521 0.021 18 0 "[ . 1 . 2]" 1
140 1 7 VAL HB 1 56 PHE H 5.090 . 5.090 5.064 4.898 5.136 0.046 17 0 "[ . 1 . 2]" 1
141 1 7 VAL HB 1 74 GLN HE21 5.500 . 5.500 2.766 2.362 3.604 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL HB 1 74 GLN HE22 5.500 . 5.500 1.779 1.424 2.044 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL MG1 1 8 GLY H 3.970 . 3.970 3.739 3.649 3.793 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL MG1 1 54 VAL H 5.500 . 5.500 5.519 5.321 5.567 0.067 16 0 "[ . 1 . 2]" 1
145 1 7 VAL MG1 1 55 ALA H 5.500 . 5.500 4.337 4.098 4.538 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL MG1 1 55 ALA HA 3.910 . 3.910 2.022 1.864 2.164 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL MG1 1 55 ALA MB 4.160 . 4.160 2.183 2.051 2.330 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL MG1 1 56 PHE H 4.700 . 4.700 3.219 3.000 3.355 . 0 0 "[ . 1 . 2]" 1
149 1 7 VAL MG1 1 56 PHE QE 6.000 . 6.000 4.892 4.671 5.078 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL MG1 1 74 GLN QB 5.500 . 5.500 4.091 3.666 4.339 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL MG1 1 74 GLN HE21 4.240 . 4.240 3.111 2.288 3.567 . 0 0 "[ . 1 . 2]" 1
152 1 7 VAL MG1 1 74 GLN HE22 4.950 . 4.950 2.588 1.998 3.173 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL MG2 1 23 GLU H 5.380 . 5.380 3.422 3.226 3.646 . 0 0 "[ . 1 . 2]" 1
154 1 7 VAL MG2 1 23 GLU QB . . 5.410 2.688 2.207 3.203 . 0 0 "[ . 1 . 2]" 1
155 1 7 VAL MG2 1 23 GLU QG . . 4.170 2.320 1.740 3.205 . 0 0 "[ . 1 . 2]" 1
156 1 7 VAL MG2 1 55 ALA MB 4.800 . 4.800 4.454 4.295 4.611 . 0 0 "[ . 1 . 2]" 1
157 1 7 VAL MG2 1 74 GLN HE21 5.500 . 5.500 4.285 3.928 4.901 . 0 0 "[ . 1 . 2]" 1
158 1 7 VAL MG2 1 74 GLN HE22 4.990 . 4.990 3.144 2.747 3.501 . 0 0 "[ . 1 . 2]" 1
159 1 8 GLY H 1 20 ILE MG 5.200 . 5.200 4.042 3.791 4.393 . 0 0 "[ . 1 . 2]" 1
160 1 8 GLY H 1 22 HIS HA 5.460 . 5.460 4.303 4.142 4.435 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLY H 1 22 HIS HB3 5.500 . 5.500 5.374 5.078 5.548 0.048 9 0 "[ . 1 . 2]" 1
162 1 8 GLY H 1 53 ARG HA 4.930 . 4.930 4.543 4.144 4.874 . 0 0 "[ . 1 . 2]" 1
163 1 8 GLY H 1 53 ARG QD 5.500 . 5.500 5.022 3.418 5.523 0.023 16 0 "[ . 1 . 2]" 1
164 1 8 GLY H 1 53 ARG QG 5.500 . 5.500 3.681 2.942 5.206 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLY H 1 54 VAL H 3.900 . 3.900 3.289 3.100 3.465 . 0 0 "[ . 1 . 2]" 1
166 1 8 GLY H 1 55 ALA HA 4.170 . 4.170 3.771 3.565 3.956 . 0 0 "[ . 1 . 2]" 1
167 1 8 GLY H 1 55 ALA MB 5.490 . 5.490 4.844 4.685 5.016 . 0 0 "[ . 1 . 2]" 1
168 1 8 GLY H 1 56 PHE QD 4.380 . 4.380 3.913 3.609 4.267 . 0 0 "[ . 1 . 2]" 1
169 1 8 GLY H 1 56 PHE QE 4.270 . 4.270 2.813 2.368 3.331 . 0 0 "[ . 1 . 2]" 1
170 1 8 GLY H 1 56 PHE HZ 5.500 . 5.500 4.692 4.236 5.381 . 0 0 "[ . 1 . 2]" 1
171 1 8 GLY H 1 74 GLN HE21 5.500 . 5.500 3.237 2.348 4.309 . 0 0 "[ . 1 . 2]" 1
172 1 8 GLY HA2 1 20 ILE MG 5.240 . 5.240 4.114 3.704 4.436 . 0 0 "[ . 1 . 2]" 1
173 1 8 GLY HA2 1 22 HIS HA 4.140 . 4.140 2.759 2.169 3.289 . 0 0 "[ . 1 . 2]" 1
174 1 8 GLY HA2 1 23 GLU H 4.400 . 4.400 3.105 2.634 3.699 . 0 0 "[ . 1 . 2]" 1
175 1 8 GLY HA3 1 9 ARG H 3.300 . 3.300 2.412 2.191 2.568 . 0 0 "[ . 1 . 2]" 1
176 1 8 GLY HA3 1 9 ARG HA 5.140 . 5.140 4.428 4.382 4.465 . 0 0 "[ . 1 . 2]" 1
177 1 8 GLY HA3 1 9 ARG QB 4.870 . 4.870 4.447 4.222 4.594 . 0 0 "[ . 1 . 2]" 1
178 1 8 GLY HA3 1 20 ILE MG 4.020 . 4.020 2.750 2.401 3.079 . 0 0 "[ . 1 . 2]" 1
179 1 8 GLY HA3 1 21 ALA H 5.500 . 5.500 5.003 4.524 5.448 . 0 0 "[ . 1 . 2]" 1
180 1 8 GLY HA3 1 22 HIS HA 3.940 . 3.940 1.786 1.534 2.015 . 0 0 "[ . 1 . 2]" 1
181 1 8 GLY HA3 1 22 HIS HB3 4.740 . 4.740 3.429 3.009 3.856 . 0 0 "[ . 1 . 2]" 1
182 1 8 GLY HA3 1 23 GLU H 4.280 . 4.280 3.227 2.602 3.762 . 0 0 "[ . 1 . 2]" 1
183 1 8 GLY HA3 1 23 GLU QG 5.500 . 5.500 4.113 3.229 5.149 . 0 0 "[ . 1 . 2]" 1
184 1 8 GLY HA3 1 56 PHE QE 4.200 . 4.200 3.130 2.668 3.528 . 0 0 "[ . 1 . 2]" 1
185 1 9 ARG H 1 9 ARG QB 3.230 . 3.230 2.465 2.339 2.575 . 0 0 "[ . 1 . 2]" 1
186 1 9 ARG H 1 10 ILE HA 5.500 . 5.500 4.931 4.776 5.106 . 0 0 "[ . 1 . 2]" 1
187 1 9 ARG H 1 10 ILE MD 4.820 . 4.820 4.898 4.847 4.940 0.120 10 0 "[ . 1 . 2]" 1
188 1 9 ARG H 1 20 ILE HA 5.270 . 5.270 4.891 4.425 5.287 0.017 5 0 "[ . 1 . 2]" 1
189 1 9 ARG H 1 20 ILE MG 3.690 . 3.690 2.976 2.697 3.261 . 0 0 "[ . 1 . 2]" 1
190 1 9 ARG H 1 21 ALA MB 3.540 . 3.540 2.990 2.786 3.268 . 0 0 "[ . 1 . 2]" 1
191 1 9 ARG H 1 22 HIS HA 4.340 . 4.340 3.307 2.971 3.728 . 0 0 "[ . 1 . 2]" 1
192 1 9 ARG H 1 22 HIS HB3 5.500 . 5.500 5.094 4.865 5.495 . 0 0 "[ . 1 . 2]" 1
193 1 9 ARG H 1 54 VAL H 5.500 . 5.500 5.031 4.675 5.373 . 0 0 "[ . 1 . 2]" 1
194 1 9 ARG H 1 56 PHE QE 5.500 . 5.500 4.798 4.547 5.177 . 0 0 "[ . 1 . 2]" 1
195 1 9 ARG HA 1 9 ARG HD2 4.750 . 4.750 4.619 4.286 4.904 0.154 4 0 "[ . 1 . 2]" 1
196 1 9 ARG HA 1 10 ILE H 2.910 . 2.910 2.174 2.126 2.262 . 0 0 "[ . 1 . 2]" 1
197 1 9 ARG HA 1 10 ILE HA 5.050 . 5.050 4.316 4.258 4.353 . 0 0 "[ . 1 . 2]" 1
198 1 9 ARG HA 1 10 ILE MG 5.400 . 5.400 5.448 5.417 5.485 0.085 9 0 "[ . 1 . 2]" 1
199 1 9 ARG HA 1 21 ALA H 5.500 . 5.500 5.140 4.847 5.406 . 0 0 "[ . 1 . 2]" 1
200 1 9 ARG HA 1 51 GLY H 5.500 . 5.500 5.260 4.930 5.462 . 0 0 "[ . 1 . 2]" 1
201 1 9 ARG HA 1 52 ASP H 5.470 . 5.470 5.201 4.844 5.412 . 0 0 "[ . 1 . 2]" 1
202 1 9 ARG HA 1 53 ARG HA 3.020 . 3.020 2.112 1.831 2.458 . 0 0 "[ . 1 . 2]" 1
203 1 9 ARG HA 1 53 ARG QD 4.860 . 4.860 4.220 1.910 4.967 0.107 12 0 "[ . 1 . 2]" 1
204 1 9 ARG HA 1 54 VAL H 3.800 . 3.800 3.262 2.954 3.594 . 0 0 "[ . 1 . 2]" 1
205 1 9 ARG HA 1 54 VAL MG2 4.980 . 4.980 3.764 3.340 4.148 . 0 0 "[ . 1 . 2]" 1
206 1 9 ARG QB 1 9 ARG HD3 3.630 . 3.630 2.634 2.269 3.302 . 0 0 "[ . 1 . 2]" 1
207 1 9 ARG QB 1 10 ILE H 3.910 . 3.910 3.633 3.206 3.727 . 0 0 "[ . 1 . 2]" 1
208 1 9 ARG QB 1 11 GLN QE . . 5.280 4.055 3.111 4.625 . 0 0 "[ . 1 . 2]" 1
209 1 9 ARG QB 1 21 ALA H 4.470 . 4.470 3.991 3.526 4.256 . 0 0 "[ . 1 . 2]" 1
210 1 9 ARG QB 1 21 ALA MB 3.830 . 3.830 2.658 2.264 2.876 . 0 0 "[ . 1 . 2]" 1
211 1 9 ARG QB 1 51 GLY H 5.500 . 5.500 5.143 4.021 5.510 0.010 1 0 "[ . 1 . 2]" 1
212 1 9 ARG HD2 1 51 GLY H 5.440 . 5.440 5.117 4.040 6.205 0.765 12 5 "[ . * 1*+ .- *2]" 1
213 1 9 ARG HG2 1 10 ILE H 4.360 . 4.360 2.843 2.385 3.766 . 0 0 "[ . 1 . 2]" 1
214 1 9 ARG HG2 1 51 GLY H 4.890 . 4.890 3.410 3.034 4.916 0.026 2 0 "[ . 1 . 2]" 1
215 1 9 ARG HG2 1 51 GLY HA2 4.780 . 4.780 3.329 2.981 4.091 . 0 0 "[ . 1 . 2]" 1
216 1 9 ARG HG2 1 51 GLY HA3 5.320 . 5.320 4.846 4.514 5.610 0.290 1 0 "[ . 1 . 2]" 1
217 1 9 ARG HG2 1 53 ARG HA 5.330 . 5.330 4.391 2.998 5.006 . 0 0 "[ . 1 . 2]" 1
218 1 10 ILE H 1 10 ILE HB 3.240 . 3.240 2.624 2.577 2.680 . 0 0 "[ . 1 . 2]" 1
219 1 10 ILE H 1 10 ILE MD 4.490 . 4.490 2.987 2.835 3.200 . 0 0 "[ . 1 . 2]" 1
220 1 10 ILE H 1 10 ILE HG12 3.510 . 3.510 2.033 1.921 2.174 . 0 0 "[ . 1 . 2]" 1
221 1 10 ILE H 1 10 ILE HG13 . . 3.710 3.571 3.485 3.671 . 0 0 "[ . 1 . 2]" 1
222 1 10 ILE H 1 10 ILE MG 4.040 . 4.040 3.771 3.758 3.788 . 0 0 "[ . 1 . 2]" 1
223 1 10 ILE H 1 11 GLN H 5.150 . 5.150 4.533 4.454 4.588 . 0 0 "[ . 1 . 2]" 1
224 1 10 ILE H 1 20 ILE HA 5.500 . 5.500 4.934 4.818 5.167 . 0 0 "[ . 1 . 2]" 1
225 1 10 ILE H 1 20 ILE MD 5.500 . 5.500 5.378 5.226 5.511 0.011 18 0 "[ . 1 . 2]" 1
226 1 10 ILE H 1 20 ILE MG 5.500 . 5.500 3.692 3.474 4.112 . 0 0 "[ . 1 . 2]" 1
227 1 10 ILE H 1 50 ALA HA 4.750 . 4.750 4.745 4.586 4.837 0.087 14 0 "[ . 1 . 2]" 1
228 1 10 ILE H 1 51 GLY HA2 5.500 . 5.500 4.848 4.642 5.267 . 0 0 "[ . 1 . 2]" 1
229 1 10 ILE H 1 52 ASP H 4.570 . 4.570 3.577 3.433 3.764 . 0 0 "[ . 1 . 2]" 1
230 1 10 ILE H 1 52 ASP HB2 5.100 . 5.100 4.038 3.843 4.229 . 0 0 "[ . 1 . 2]" 1
231 1 10 ILE H 1 52 ASP HB3 5.500 . 5.500 4.658 4.432 4.832 . 0 0 "[ . 1 . 2]" 1
232 1 10 ILE H 1 53 ARG HA 4.110 . 4.110 3.308 3.030 3.474 . 0 0 "[ . 1 . 2]" 1
233 1 10 ILE H 1 53 ARG HB2 5.500 . 5.500 5.299 4.558 5.741 0.241 9 0 "[ . 1 . 2]" 1
234 1 10 ILE H 1 53 ARG QG 5.500 . 5.500 4.903 4.265 5.433 . 0 0 "[ . 1 . 2]" 1
235 1 10 ILE H 1 54 VAL MG2 . . 4.650 3.590 3.320 3.866 . 0 0 "[ . 1 . 2]" 1
236 1 10 ILE HA 1 10 ILE MD 4.410 . 4.410 2.069 1.975 2.145 . 0 0 "[ . 1 . 2]" 1
237 1 10 ILE HA 1 10 ILE HG12 4.030 . 4.030 3.181 3.094 3.267 . 0 0 "[ . 1 . 2]" 1
238 1 10 ILE HA 1 10 ILE MG 3.580 . 3.580 2.329 2.299 2.370 . 0 0 "[ . 1 . 2]" 1
239 1 10 ILE HA 1 11 GLN H 3.070 . 3.070 2.142 2.107 2.178 . 0 0 "[ . 1 . 2]" 1
240 1 10 ILE HA 1 20 ILE H 5.390 . 5.390 5.217 5.063 5.388 . 0 0 "[ . 1 . 2]" 1
241 1 10 ILE HA 1 20 ILE HA 3.450 . 3.450 2.489 2.322 2.666 . 0 0 "[ . 1 . 2]" 1
242 1 10 ILE HA 1 20 ILE HG12 4.780 . 4.780 2.553 2.402 2.822 . 0 0 "[ . 1 . 2]" 1
243 1 10 ILE HA 1 20 ILE HG13 4.110 . 4.110 4.022 3.862 4.354 0.244 14 0 "[ . 1 . 2]" 1
244 1 10 ILE HA 1 21 ALA H 4.330 . 4.330 3.575 3.247 3.846 . 0 0 "[ . 1 . 2]" 1
245 1 10 ILE HA 1 21 ALA MB 5.500 . 5.500 4.918 4.667 5.151 . 0 0 "[ . 1 . 2]" 1
246 1 10 ILE HA 1 51 GLY H 5.500 . 5.500 4.484 4.357 4.707 . 0 0 "[ . 1 . 2]" 1
247 1 10 ILE HA 1 52 ASP H 5.500 . 5.500 5.354 5.182 5.517 0.017 20 0 "[ . 1 . 2]" 1
248 1 10 ILE HB 1 49 LYS H 5.500 . 5.500 4.565 4.355 4.946 . 0 0 "[ . 1 . 2]" 1
249 1 10 ILE HB 1 50 ALA H 5.500 . 5.500 4.108 3.921 4.315 . 0 0 "[ . 1 . 2]" 1
250 1 10 ILE HB 1 50 ALA HA 3.460 . 3.460 2.555 2.322 2.760 . 0 0 "[ . 1 . 2]" 1
251 1 10 ILE HB 1 51 GLY H 3.570 . 3.570 2.413 2.250 2.622 . 0 0 "[ . 1 . 2]" 1
252 1 10 ILE HB 1 52 ASP H 3.380 . 3.380 2.585 2.433 2.736 . 0 0 "[ . 1 . 2]" 1
253 1 10 ILE HB 1 52 ASP HB2 5.160 . 5.160 3.317 2.995 3.575 . 0 0 "[ . 1 . 2]" 1
254 1 10 ILE HB 1 52 ASP HB3 5.350 . 5.350 4.788 4.416 5.044 . 0 0 "[ . 1 . 2]" 1
255 1 10 ILE MD 1 11 GLN H 5.450 . 5.450 3.733 3.606 3.824 . 0 0 "[ . 1 . 2]" 1
256 1 10 ILE MD 1 12 SER H 5.440 . 5.440 4.826 4.654 4.962 . 0 0 "[ . 1 . 2]" 1
257 1 10 ILE MD 1 20 ILE H 5.500 . 5.500 5.268 5.114 5.499 . 0 0 "[ . 1 . 2]" 1
258 1 10 ILE MD 1 20 ILE HA 5.120 . 5.120 3.487 3.245 3.724 . 0 0 "[ . 1 . 2]" 1
259 1 10 ILE MD 1 20 ILE HG12 5.360 . 5.360 1.966 1.818 2.134 . 0 0 "[ . 1 . 2]" 1
260 1 10 ILE MD 1 50 ALA HA 5.200 . 5.200 4.929 4.738 5.086 . 0 0 "[ . 1 . 2]" 1
261 1 10 ILE MD 1 51 GLY H 5.220 . 5.220 5.056 4.935 5.216 . 0 0 "[ . 1 . 2]" 1
262 1 10 ILE MD 1 52 ASP HB2 4.350 . 4.350 4.230 4.086 4.367 0.017 2 0 "[ . 1 . 2]" 1
263 1 10 ILE MD 1 52 ASP HB3 4.720 . 4.720 4.777 4.686 4.828 0.108 7 0 "[ . 1 . 2]" 1
264 1 10 ILE HG12 1 51 GLY H 5.500 . 5.500 4.414 4.162 4.702 . 0 0 "[ . 1 . 2]" 1
265 1 10 ILE HG12 1 54 VAL MG2 4.220 . 4.220 2.588 2.365 2.791 . 0 0 "[ . 1 . 2]" 1
266 1 10 ILE HG13 1 52 ASP H 4.070 . 4.070 3.939 3.743 4.083 0.013 2 0 "[ . 1 . 2]" 1
267 1 10 ILE HG13 1 54 VAL H 5.500 . 5.500 5.358 5.066 5.625 0.125 3 0 "[ . 1 . 2]" 1
268 1 10 ILE MG 1 11 GLN H 4.020 . 4.020 2.596 2.454 2.826 . 0 0 "[ . 1 . 2]" 1
269 1 10 ILE MG 1 11 GLN HA 4.170 . 4.170 3.934 3.819 4.018 . 0 0 "[ . 1 . 2]" 1
270 1 10 ILE MG 1 12 SER H 3.480 . 3.480 2.691 2.295 2.921 . 0 0 "[ . 1 . 2]" 1
271 1 10 ILE MG 1 12 SER HA 4.490 . 4.490 3.220 3.014 3.341 . 0 0 "[ . 1 . 2]" 1
272 1 10 ILE MG 1 13 ILE H 5.250 . 5.250 3.955 3.578 4.178 . 0 0 "[ . 1 . 2]" 1
273 1 10 ILE MG 1 13 ILE HA 5.500 . 5.500 3.816 3.551 3.935 . 0 0 "[ . 1 . 2]" 1
274 1 10 ILE MG 1 13 ILE QG 4.000 . 4.000 2.437 2.099 2.598 . 0 0 "[ . 1 . 2]" 1
275 1 10 ILE MG 1 50 ALA H 3.750 . 3.750 3.085 2.955 3.234 . 0 0 "[ . 1 . 2]" 1
276 1 10 ILE MG 1 50 ALA HA 3.300 . 3.300 2.233 2.084 2.438 . 0 0 "[ . 1 . 2]" 1
277 1 10 ILE MG 1 50 ALA MB 4.250 . 4.250 3.187 3.046 3.374 . 0 0 "[ . 1 . 2]" 1
278 1 10 ILE MG 1 51 GLY H 4.030 . 4.030 3.455 3.342 3.534 . 0 0 "[ . 1 . 2]" 1
279 1 10 ILE MG 1 51 GLY HA2 5.500 . 5.500 5.528 5.394 5.582 0.082 1 0 "[ . 1 . 2]" 1
280 1 10 ILE MG 1 52 ASP H 4.190 . 4.190 4.024 3.891 4.152 . 0 0 "[ . 1 . 2]" 1
281 1 10 ILE MG 1 52 ASP HB2 5.500 . 5.500 4.175 3.894 4.369 . 0 0 "[ . 1 . 2]" 1
282 1 11 GLN H 1 11 GLN HB2 3.830 . 3.830 2.491 2.226 2.645 . 0 0 "[ . 1 . 2]" 1
283 1 11 GLN H 1 11 GLN HB3 3.550 . 3.550 2.897 2.474 3.641 0.091 18 0 "[ . 1 . 2]" 1
284 1 11 GLN H 1 11 GLN QE 5.500 . 5.500 4.202 3.693 4.692 . 0 0 "[ . 1 . 2]" 1
285 1 11 GLN H 1 11 GLN QG 4.270 . 4.270 3.772 2.574 4.143 . 0 0 "[ . 1 . 2]" 1
286 1 11 GLN H 1 12 SER H 3.130 . 3.130 2.332 2.170 2.423 . 0 0 "[ . 1 . 2]" 1
287 1 11 GLN H 1 19 ILE H 5.020 . 5.020 4.634 4.357 5.003 . 0 0 "[ . 1 . 2]" 1
288 1 11 GLN H 1 20 ILE H 5.500 . 5.500 4.490 4.316 4.721 . 0 0 "[ . 1 . 2]" 1
289 1 11 GLN H 1 20 ILE HA 3.660 . 3.660 2.252 1.971 2.738 . 0 0 "[ . 1 . 2]" 1
290 1 11 GLN H 1 20 ILE MD 5.500 . 5.500 4.994 4.732 5.259 . 0 0 "[ . 1 . 2]" 1
291 1 11 GLN H 1 20 ILE HG12 5.200 . 5.200 3.549 3.218 3.883 . 0 0 "[ . 1 . 2]" 1
292 1 11 GLN H 1 20 ILE HG13 5.500 . 5.500 4.260 4.014 4.518 . 0 0 "[ . 1 . 2]" 1
293 1 11 GLN H 1 20 ILE MG 5.500 . 5.500 3.802 3.489 4.391 . 0 0 "[ . 1 . 2]" 1
294 1 11 GLN H 1 21 ALA H 4.540 . 4.540 3.288 2.795 3.672 . 0 0 "[ . 1 . 2]" 1
295 1 11 GLN H 1 21 ALA MB 5.500 . 5.500 4.610 4.218 4.874 . 0 0 "[ . 1 . 2]" 1
296 1 11 GLN H 1 34 THR MG 5.500 . 5.500 4.462 4.083 4.922 . 0 0 "[ . 1 . 2]" 1
297 1 11 GLN H 1 50 ALA HA 5.490 . 5.490 4.239 4.033 4.414 . 0 0 "[ . 1 . 2]" 1
298 1 11 GLN HA 1 11 GLN QG 3.840 . 3.840 2.799 2.417 2.937 . 0 0 "[ . 1 . 2]" 1
299 1 11 GLN HA 1 50 ALA HA 3.860 . 3.860 3.861 3.612 3.963 0.103 17 0 "[ . 1 . 2]" 1
300 1 11 GLN HB2 1 12 SER H 3.660 . 3.660 3.288 2.376 3.726 0.066 4 0 "[ . 1 . 2]" 1
301 1 11 GLN HB2 1 19 ILE MG 3.720 . 3.720 2.965 2.124 3.318 . 0 0 "[ . 1 . 2]" 1
302 1 11 GLN HB2 1 21 ALA H 5.500 . 5.500 3.068 2.434 4.654 . 0 0 "[ . 1 . 2]" 1
303 1 11 GLN HB2 1 34 THR MG 4.780 . 4.780 2.729 2.233 3.758 . 0 0 "[ . 1 . 2]" 1
304 1 11 GLN HB3 1 12 SER H 3.020 . 3.020 2.609 2.234 3.552 0.532 7 1 "[ . + 1 . 2]" 1
305 1 11 GLN HB3 1 19 ILE MG 4.380 . 4.380 2.877 2.230 3.733 . 0 0 "[ . 1 . 2]" 1
306 1 11 GLN HB3 1 21 ALA H 5.300 . 5.300 4.436 3.578 5.561 0.261 7 0 "[ . 1 . 2]" 1
307 1 11 GLN HB3 1 34 THR MG 5.170 . 5.170 3.305 2.873 3.934 . 0 0 "[ . 1 . 2]" 1
308 1 11 GLN QE 1 19 ILE MG 5.500 . 5.500 4.196 3.977 4.933 . 0 0 "[ . 1 . 2]" 1
309 1 11 GLN QE 1 20 ILE MG 5.500 . 5.500 5.083 4.759 5.274 . 0 0 "[ . 1 . 2]" 1
310 1 11 GLN QE 1 21 ALA H 5.500 . 5.500 3.022 2.600 3.420 . 0 0 "[ . 1 . 2]" 1
311 1 11 GLN QE 1 21 ALA MB . . 5.400 1.856 1.389 2.171 . 0 0 "[ . 1 . 2]" 1
312 1 11 GLN QE 1 34 THR HA 5.500 . 5.500 4.473 3.856 4.948 . 0 0 "[ . 1 . 2]" 1
313 1 11 GLN QE 1 34 THR MG 5.500 . 5.500 2.514 1.929 3.312 . 0 0 "[ . 1 . 2]" 1
314 1 11 GLN QG 1 12 SER H 4.810 . 4.810 3.829 3.438 4.366 . 0 0 "[ . 1 . 2]" 1
315 1 11 GLN QG 1 12 SER QB 5.250 . 5.250 4.272 3.074 5.326 0.076 6 0 "[ . 1 . 2]" 1
316 1 11 GLN QG 1 19 ILE MG 4.230 . 4.230 2.779 2.249 3.228 . 0 0 "[ . 1 . 2]" 1
317 1 11 GLN QG 1 20 ILE H 5.500 . 5.500 5.198 4.089 5.560 0.060 13 0 "[ . 1 . 2]" 1
318 1 11 GLN QG 1 21 ALA H 4.390 . 4.390 4.058 2.350 4.565 0.175 4 0 "[ . 1 . 2]" 1
319 1 11 GLN QG 1 21 ALA MB 4.360 . 4.360 3.643 2.380 4.140 . 0 0 "[ . 1 . 2]" 1
320 1 11 GLN QG 1 34 THR MG 4.110 . 4.110 1.972 1.709 2.364 . 0 0 "[ . 1 . 2]" 1
321 1 12 SER H 1 12 SER QB 3.640 . 3.640 2.942 2.915 2.975 . 0 0 "[ . 1 . 2]" 1
322 1 12 SER H 1 13 ILE H 4.590 . 4.590 4.283 4.075 4.365 . 0 0 "[ . 1 . 2]" 1
323 1 12 SER H 1 13 ILE HA 5.500 . 5.500 4.570 4.446 4.629 . 0 0 "[ . 1 . 2]" 1
324 1 12 SER H 1 13 ILE QG 5.500 . 5.500 4.571 4.256 4.764 . 0 0 "[ . 1 . 2]" 1
325 1 12 SER H 1 18 LEU HA 5.500 . 5.500 5.025 4.608 5.271 . 0 0 "[ . 1 . 2]" 1
326 1 12 SER H 1 18 LEU QB 4.680 . 4.680 4.049 3.631 4.224 . 0 0 "[ . 1 . 2]" 1
327 1 12 SER H 1 19 ILE H 3.670 . 3.670 3.190 2.984 3.461 . 0 0 "[ . 1 . 2]" 1
328 1 12 SER H 1 20 ILE HA 4.770 . 4.770 4.132 3.779 4.632 . 0 0 "[ . 1 . 2]" 1
329 1 12 SER H 1 50 ALA HA 5.110 . 5.110 4.209 3.982 4.386 . 0 0 "[ . 1 . 2]" 1
330 1 12 SER H 1 50 ALA MB 5.220 . 5.220 4.085 3.837 4.258 . 0 0 "[ . 1 . 2]" 1
331 1 12 SER HA 1 13 ILE H 2.720 . 2.720 2.308 2.193 2.437 . 0 0 "[ . 1 . 2]" 1
332 1 12 SER HA 1 13 ILE HB 5.190 . 5.190 4.591 4.464 4.679 . 0 0 "[ . 1 . 2]" 1
333 1 12 SER HA 1 13 ILE QG 5.080 . 5.080 3.673 3.330 3.979 . 0 0 "[ . 1 . 2]" 1
334 1 12 SER HA 1 19 ILE H 5.400 . 5.400 4.997 4.755 5.146 . 0 0 "[ . 1 . 2]" 1
335 1 12 SER HA 1 50 ALA MB 3.600 . 3.600 2.088 1.766 2.436 . 0 0 "[ . 1 . 2]" 1
336 1 12 SER QB 1 13 ILE H 3.240 . 3.240 2.753 2.397 3.297 0.057 4 0 "[ . 1 . 2]" 1
337 1 12 SER QB 1 18 LEU QB 5.050 . 5.050 4.623 4.185 4.891 . 0 0 "[ . 1 . 2]" 1
338 1 12 SER QB 1 19 ILE H 4.420 . 4.420 3.428 2.903 3.701 . 0 0 "[ . 1 . 2]" 1
339 1 12 SER QB 1 19 ILE HB 3.840 . 3.840 3.214 2.609 3.728 . 0 0 "[ . 1 . 2]" 1
340 1 12 SER QB 1 19 ILE MD 4.230 . 4.230 2.993 2.138 3.479 . 0 0 "[ . 1 . 2]" 1
341 1 12 SER QB 1 19 ILE QG . . 4.830 3.417 2.870 3.877 . 0 0 "[ . 1 . 2]" 1
342 1 12 SER QB 1 50 ALA H 5.500 . 5.500 5.605 5.551 5.697 0.197 15 0 "[ . 1 . 2]" 1
343 1 13 ILE H 1 13 ILE HB 3.160 . 3.160 2.482 2.391 2.591 . 0 0 "[ . 1 . 2]" 1
344 1 13 ILE H 1 13 ILE MD 4.190 . 4.190 3.915 3.730 4.128 . 0 0 "[ . 1 . 2]" 1
345 1 13 ILE H 1 13 ILE QG 3.740 . 3.740 2.711 2.449 3.083 . 0 0 "[ . 1 . 2]" 1
346 1 13 ILE H 1 13 ILE MG 4.220 . 4.220 3.777 3.716 3.847 . 0 0 "[ . 1 . 2]" 1
347 1 13 ILE H 1 14 GLY H 4.520 . 4.520 4.475 4.406 4.527 0.007 18 0 "[ . 1 . 2]" 1
348 1 13 ILE H 1 18 LEU HA 5.500 . 5.500 5.297 4.958 5.568 0.068 19 0 "[ . 1 . 2]" 1
349 1 13 ILE H 1 50 ALA HA 5.280 . 5.280 5.034 4.395 5.307 0.027 15 0 "[ . 1 . 2]" 1
350 1 13 ILE H 1 50 ALA MB 4.430 . 4.430 3.380 2.787 3.778 . 0 0 "[ . 1 . 2]" 1
351 1 13 ILE HA 1 13 ILE MD 3.920 . 3.920 3.694 1.741 3.849 . 0 0 "[ . 1 . 2]" 1
352 1 13 ILE HA 1 13 ILE QG 3.790 . 3.790 2.373 2.279 2.853 . 0 0 "[ . 1 . 2]" 1
353 1 13 ILE HA 1 13 ILE MG 3.620 . 3.620 2.484 2.415 2.563 . 0 0 "[ . 1 . 2]" 1
354 1 13 ILE HA 1 14 GLY H 2.800 . 2.800 2.177 2.094 2.242 . 0 0 "[ . 1 . 2]" 1
355 1 13 ILE HA 1 18 LEU H 5.500 . 5.500 5.289 4.949 5.535 0.035 16 0 "[ . 1 . 2]" 1
356 1 13 ILE HA 1 18 LEU HA 3.510 . 3.510 3.133 2.501 3.555 0.045 6 0 "[ . 1 . 2]" 1
357 1 13 ILE HA 1 18 LEU QB . . 3.540 1.838 1.429 1.998 . 0 0 "[ . 1 . 2]" 1
358 1 13 ILE HA 1 18 LEU MD2 3.240 . 3.240 2.635 2.162 3.317 0.077 14 0 "[ . 1 . 2]" 1
359 1 13 ILE HA 1 19 ILE H 4.320 . 4.320 3.811 3.477 4.092 . 0 0 "[ . 1 . 2]" 1
360 1 13 ILE HB 1 13 ILE MD 3.400 . 3.400 2.475 2.393 3.215 . 0 0 "[ . 1 . 2]" 1
361 1 13 ILE HB 1 14 GLY H 4.390 . 4.390 4.095 3.886 4.255 . 0 0 "[ . 1 . 2]" 1
362 1 13 ILE MD 1 13 ILE MG 3.310 . 3.310 1.897 1.828 2.056 . 0 0 "[ . 1 . 2]" 1
363 1 13 ILE MD 1 14 GLY H 4.980 . 4.980 4.780 3.061 5.022 0.042 20 0 "[ . 1 . 2]" 1
364 1 13 ILE MD 1 48 LEU HB2 3.940 . 3.940 3.942 3.705 3.997 0.057 16 0 "[ . 1 . 2]" 1
365 1 13 ILE MD 1 49 LYS HA 3.590 . 3.590 1.725 1.432 2.477 . 0 0 "[ . 1 . 2]" 1
366 1 13 ILE MD 1 49 LYS HB3 5.500 . 5.500 3.067 2.376 4.468 . 0 0 "[ . 1 . 2]" 1
367 1 13 ILE MD 1 50 ALA H 4.110 . 4.110 3.279 2.910 3.519 . 0 0 "[ . 1 . 2]" 1
368 1 13 ILE QG 1 14 GLY H . . 4.340 3.949 3.797 4.191 . 0 0 "[ . 1 . 2]" 1
369 1 13 ILE QG 1 50 ALA H 4.770 . 4.770 2.918 2.081 3.175 . 0 0 "[ . 1 . 2]" 1
370 1 13 ILE MG 1 14 GLY H 3.560 . 3.560 2.442 2.034 2.723 . 0 0 "[ . 1 . 2]" 1
371 1 13 ILE MG 1 14 GLY HA3 5.070 . 5.070 4.009 3.824 4.181 . 0 0 "[ . 1 . 2]" 1
372 1 13 ILE MG 1 18 LEU HA 5.450 . 5.450 4.489 3.920 4.950 . 0 0 "[ . 1 . 2]" 1
373 1 13 ILE MG 1 18 LEU MD2 2.400 . 2.400 1.905 1.475 2.462 0.062 3 0 "[ . 1 . 2]" 1
374 1 13 ILE MG 1 50 ALA H 5.500 . 5.500 5.331 4.606 5.562 0.062 13 0 "[ . 1 . 2]" 1
375 1 14 GLY H 1 17 SER H 4.210 . 4.210 3.983 3.504 4.366 0.156 3 0 "[ . 1 . 2]" 1
376 1 14 GLY H 1 18 LEU HA 3.650 . 3.650 2.778 2.163 3.452 . 0 0 "[ . 1 . 2]" 1
377 1 14 GLY H 1 18 LEU QB 5.170 . 5.170 2.222 1.433 3.337 . 0 0 "[ . 1 . 2]" 1
378 1 14 GLY HA2 1 15 GLU H 3.020 . 3.020 2.706 2.353 3.018 . 0 0 "[ . 1 . 2]" 1
379 1 14 GLY HA2 1 15 GLU QB 4.720 . 4.720 4.778 4.369 5.057 0.337 4 0 "[ . 1 . 2]" 1
380 1 14 GLY HA2 1 16 ARG H 4.700 . 4.700 4.655 4.208 4.884 0.184 10 0 "[ . 1 . 2]" 1
381 1 14 GLY HA2 1 17 SER H 5.500 . 5.500 4.611 4.237 4.870 . 0 0 "[ . 1 . 2]" 1
382 1 14 GLY HA2 1 18 LEU MD2 5.260 . 5.260 4.832 3.982 5.541 0.281 14 0 "[ . 1 . 2]" 1
383 1 14 GLY HA3 1 15 GLU H 3.020 . 3.020 2.426 2.132 2.786 . 0 0 "[ . 1 . 2]" 1
384 1 14 GLY HA3 1 15 GLU HA 4.670 . 4.670 4.536 4.378 4.717 0.047 15 0 "[ . 1 . 2]" 1
385 1 14 GLY HA3 1 16 ARG H 4.700 . 4.700 3.602 3.172 3.794 . 0 0 "[ . 1 . 2]" 1
386 1 14 GLY HA3 1 17 SER H 4.630 . 4.630 3.129 2.839 3.410 . 0 0 "[ . 1 . 2]" 1
387 1 15 GLU H 1 15 GLU QB 2.760 . 2.760 2.600 2.402 2.910 0.150 3 0 "[ . 1 . 2]" 1
388 1 15 GLU H 1 15 GLU HG2 3.900 . 3.900 2.798 1.775 3.925 0.025 5 0 "[ . 1 . 2]" 1
389 1 15 GLU H 1 15 GLU HG3 4.330 . 4.330 3.230 1.992 4.033 . 0 0 "[ . 1 . 2]" 1
390 1 15 GLU H 1 16 ARG H 3.460 . 3.460 2.382 1.809 2.760 . 0 0 "[ . 1 . 2]" 1
391 1 15 GLU H 1 16 ARG QD 5.500 . 5.500 4.175 2.657 5.626 0.126 16 0 "[ . 1 . 2]" 1
392 1 15 GLU H 1 16 ARG QG 5.210 . 5.210 4.023 3.454 4.493 . 0 0 "[ . 1 . 2]" 1
393 1 15 GLU H 1 17 SER H 4.330 . 4.330 3.258 2.617 3.767 . 0 0 "[ . 1 . 2]" 1
394 1 15 GLU H 1 18 LEU MD2 5.500 . 5.500 5.332 4.383 5.612 0.112 16 0 "[ . 1 . 2]" 1
395 1 15 GLU HA 1 15 GLU HG2 4.250 . 4.250 3.413 2.465 4.012 . 0 0 "[ . 1 . 2]" 1
396 1 15 GLU HA 1 16 ARG QG 5.230 . 5.230 4.539 4.104 4.752 . 0 0 "[ . 1 . 2]" 1
397 1 15 GLU HA 1 17 SER H 4.840 . 4.840 4.556 4.281 4.697 . 0 0 "[ . 1 . 2]" 1
398 1 15 GLU QB 1 16 ARG H 3.530 . 3.530 2.775 2.353 3.412 . 0 0 "[ . 1 . 2]" 1
399 1 15 GLU QB 1 17 SER H 4.850 . 4.850 4.368 3.897 4.838 . 0 0 "[ . 1 . 2]" 1
400 1 15 GLU HG2 1 16 ARG H 5.500 . 5.500 4.086 2.354 5.421 . 0 0 "[ . 1 . 2]" 1
401 1 15 GLU HG2 1 16 ARG QG 5.120 . 5.120 4.293 1.697 5.279 0.159 19 0 "[ . 1 . 2]" 1
402 1 15 GLU HG3 1 16 ARG H 5.480 . 5.480 4.250 2.034 5.017 . 0 0 "[ . 1 . 2]" 1
403 1 15 GLU HG3 1 16 ARG QG 5.190 . 5.190 4.221 1.496 5.292 0.102 15 0 "[ . 1 . 2]" 1
404 1 16 ARG H 1 16 ARG HB2 3.730 . 3.730 3.583 2.568 3.838 0.108 10 0 "[ . 1 . 2]" 1
405 1 16 ARG H 1 16 ARG QD 5.500 . 5.500 2.540 1.687 4.265 . 0 0 "[ . 1 . 2]" 1
406 1 16 ARG H 1 16 ARG QG 3.900 . 3.900 2.430 2.121 2.892 . 0 0 "[ . 1 . 2]" 1
407 1 16 ARG H 1 17 SER H 2.900 . 2.900 1.821 1.649 1.942 . 0 0 "[ . 1 . 2]" 1
408 1 16 ARG H 1 17 SER HA 5.500 . 5.500 4.514 4.340 4.627 . 0 0 "[ . 1 . 2]" 1
409 1 16 ARG H 1 17 SER QB 5.500 . 5.500 4.404 3.708 4.760 . 0 0 "[ . 1 . 2]" 1
410 1 16 ARG H 1 18 LEU MD2 5.500 . 5.500 5.145 3.920 5.556 0.056 8 0 "[ . 1 . 2]" 1
411 1 16 ARG H 1 39 ALA MB 5.500 . 5.500 4.680 4.007 5.297 . 0 0 "[ . 1 . 2]" 1
412 1 16 ARG H 1 44 LEU QD 5.500 . 5.500 4.628 4.038 5.340 . 0 0 "[ . 1 . 2]" 1
413 1 16 ARG HA 1 16 ARG QD 4.330 . 4.330 3.831 3.614 4.511 0.181 5 0 "[ . 1 . 2]" 1
414 1 16 ARG HA 1 16 ARG QG 3.880 . 3.880 3.248 2.478 3.455 . 0 0 "[ . 1 . 2]" 1
415 1 16 ARG HA 1 17 SER H 3.450 . 3.450 3.208 2.986 3.443 . 0 0 "[ . 1 . 2]" 1
416 1 16 ARG HA 1 39 ALA H 4.810 . 4.810 3.952 3.485 4.349 . 0 0 "[ . 1 . 2]" 1
417 1 16 ARG HA 1 39 ALA MB 3.870 . 3.870 2.684 2.010 3.390 . 0 0 "[ . 1 . 2]" 1
418 1 16 ARG HA 1 44 LEU QD 5.280 . 5.280 3.375 2.502 3.950 . 0 0 "[ . 1 . 2]" 1
419 1 16 ARG HB2 1 17 SER H 4.530 . 4.530 3.977 3.094 4.299 . 0 0 "[ . 1 . 2]" 1
420 1 16 ARG HB2 1 39 ALA H 4.880 . 4.880 3.969 3.513 4.953 0.073 14 0 "[ . 1 . 2]" 1
421 1 16 ARG HB3 1 17 SER H 4.660 . 4.660 4.496 4.195 4.605 . 0 0 "[ . 1 . 2]" 1
422 1 16 ARG HB3 1 39 ALA H 4.950 . 4.950 4.968 4.154 5.131 0.181 16 0 "[ . 1 . 2]" 1
423 1 16 ARG QD 1 17 SER H 5.500 . 5.500 3.137 2.148 5.254 . 0 0 "[ . 1 . 2]" 1
424 1 16 ARG QD 1 17 SER QB 4.900 . 4.900 3.574 2.571 4.884 . 0 0 "[ . 1 . 2]" 1
425 1 16 ARG QG 1 17 SER H 5.180 . 5.180 3.811 3.006 4.302 . 0 0 "[ . 1 . 2]" 1
426 1 17 SER H 1 18 LEU H 4.900 . 4.900 4.270 4.194 4.342 . 0 0 "[ . 1 . 2]" 1
427 1 17 SER H 1 18 LEU HA 5.500 . 5.500 4.616 4.503 4.796 . 0 0 "[ . 1 . 2]" 1
428 1 17 SER H 1 38 ALA HA 5.290 . 5.290 4.869 4.589 5.076 . 0 0 "[ . 1 . 2]" 1
429 1 17 SER H 1 39 ALA H 4.750 . 4.750 4.411 4.194 4.599 . 0 0 "[ . 1 . 2]" 1
430 1 17 SER H 1 39 ALA MB 4.670 . 4.670 4.012 3.504 4.589 . 0 0 "[ . 1 . 2]" 1
431 1 17 SER H 1 44 LEU QD 4.280 . 4.280 4.099 3.433 4.251 . 0 0 "[ . 1 . 2]" 1
432 1 17 SER HA 1 18 LEU H 3.030 . 3.030 2.310 2.182 2.611 . 0 0 "[ . 1 . 2]" 1
433 1 17 SER HA 1 18 LEU HG 4.200 . 4.200 3.301 2.947 4.100 . 0 0 "[ . 1 . 2]" 1
434 1 17 SER HA 1 38 ALA H 5.500 . 5.500 4.864 4.653 5.052 . 0 0 "[ . 1 . 2]" 1
435 1 17 SER HA 1 38 ALA HA 3.200 . 3.200 2.542 2.263 2.744 . 0 0 "[ . 1 . 2]" 1
436 1 17 SER HA 1 38 ALA MB 5.010 . 5.010 4.145 3.927 4.328 . 0 0 "[ . 1 . 2]" 1
437 1 17 SER HA 1 39 ALA H 3.230 . 3.230 2.638 2.119 2.822 . 0 0 "[ . 1 . 2]" 1
438 1 17 SER HA 1 39 ALA MB 4.610 . 4.610 3.166 2.516 3.572 . 0 0 "[ . 1 . 2]" 1
439 1 17 SER QB 1 18 LEU H 3.240 . 3.240 2.701 2.264 2.927 . 0 0 "[ . 1 . 2]" 1
440 1 17 SER QB 1 36 GLU HG2 4.090 . 4.090 2.280 1.765 2.983 . 0 0 "[ . 1 . 2]" 1
441 1 17 SER QB 1 36 GLU HG3 4.430 . 4.430 2.819 2.098 3.370 . 0 0 "[ . 1 . 2]" 1
442 1 17 SER QB 1 37 PHE H 4.570 . 4.570 3.882 3.374 4.381 . 0 0 "[ . 1 . 2]" 1
443 1 17 SER QB 1 38 ALA H . . 5.320 4.199 3.534 4.714 . 0 0 "[ . 1 . 2]" 1
444 1 17 SER QB 1 38 ALA HA 3.740 . 3.740 2.142 1.448 2.628 . 0 0 "[ . 1 . 2]" 1
445 1 17 SER QB 1 38 ALA MB 4.740 . 4.740 3.173 2.630 3.578 . 0 0 "[ . 1 . 2]" 1
446 1 17 SER QB 1 39 ALA H 4.180 . 4.180 3.307 2.912 3.617 . 0 0 "[ . 1 . 2]" 1
447 1 18 LEU H 1 18 LEU QB . . 3.860 3.217 2.980 3.393 . 0 0 "[ . 1 . 2]" 1
448 1 18 LEU H 1 18 LEU MD1 4.760 . 4.760 3.331 2.528 4.096 . 0 0 "[ . 1 . 2]" 1
449 1 18 LEU H 1 18 LEU MD2 4.590 . 4.590 3.547 2.394 4.066 . 0 0 "[ . 1 . 2]" 1
450 1 18 LEU H 1 19 ILE H 4.960 . 4.960 4.355 4.256 4.427 . 0 0 "[ . 1 . 2]" 1
451 1 18 LEU H 1 20 ILE MD 5.500 . 5.500 4.978 4.509 5.270 . 0 0 "[ . 1 . 2]" 1
452 1 18 LEU H 1 36 GLU HA 4.790 . 4.790 4.380 4.077 4.629 . 0 0 "[ . 1 . 2]" 1
453 1 18 LEU H 1 36 GLU HG2 5.010 . 5.010 3.551 2.709 4.157 . 0 0 "[ . 1 . 2]" 1
454 1 18 LEU H 1 36 GLU HG3 5.340 . 5.340 3.342 2.865 4.006 . 0 0 "[ . 1 . 2]" 1
455 1 18 LEU H 1 37 PHE H 3.780 . 3.780 2.881 2.512 3.032 . 0 0 "[ . 1 . 2]" 1
456 1 18 LEU H 1 37 PHE HA 5.500 . 5.500 4.782 4.589 5.015 . 0 0 "[ . 1 . 2]" 1
457 1 18 LEU H 1 37 PHE HB2 4.620 . 4.620 3.754 3.351 4.068 . 0 0 "[ . 1 . 2]" 1
458 1 18 LEU H 1 37 PHE HB3 5.370 . 5.370 4.835 4.448 5.180 . 0 0 "[ . 1 . 2]" 1
459 1 18 LEU H 1 37 PHE QD 5.500 . 5.500 4.958 4.687 5.148 . 0 0 "[ . 1 . 2]" 1
460 1 18 LEU H 1 38 ALA H 5.500 . 5.500 5.037 4.813 5.243 . 0 0 "[ . 1 . 2]" 1
461 1 18 LEU H 1 38 ALA HA 4.270 . 4.270 3.891 3.634 4.134 . 0 0 "[ . 1 . 2]" 1
462 1 18 LEU H 1 39 ALA H 4.700 . 4.700 4.637 4.380 4.753 0.053 16 0 "[ . 1 . 2]" 1
463 1 18 LEU H 1 39 ALA MB 5.500 . 5.500 4.534 4.016 4.961 . 0 0 "[ . 1 . 2]" 1
464 1 18 LEU HA 1 18 LEU MD2 4.020 . 4.020 3.457 2.585 3.992 . 0 0 "[ . 1 . 2]" 1
465 1 18 LEU HA 1 19 ILE H 2.940 . 2.940 2.248 2.150 2.405 . 0 0 "[ . 1 . 2]" 1
466 1 18 LEU QB 1 18 LEU HG 2.650 . 2.650 2.448 2.390 2.512 . 0 0 "[ . 1 . 2]" 1
467 1 18 LEU QB 1 19 ILE H 3.450 . 3.450 2.754 2.414 3.158 . 0 0 "[ . 1 . 2]" 1
468 1 18 LEU QB 1 20 ILE HG13 5.480 . 5.480 3.454 2.572 3.961 . 0 0 "[ . 1 . 2]" 1
469 1 18 LEU QB 1 37 PHE H 5.500 . 5.500 4.509 3.883 4.844 . 0 0 "[ . 1 . 2]" 1
470 1 18 LEU MD1 1 20 ILE MD 4.040 . 4.040 2.359 2.024 3.256 . 0 0 "[ . 1 . 2]" 1
471 1 18 LEU MD1 1 20 ILE HG12 4.380 . 4.380 3.310 2.270 4.225 . 0 0 "[ . 1 . 2]" 1
472 1 18 LEU MD1 1 20 ILE HG13 5.500 . 5.500 3.056 2.234 4.348 . 0 0 "[ . 1 . 2]" 1
473 1 19 ILE H 1 19 ILE HB 3.270 . 3.270 2.666 2.524 2.769 . 0 0 "[ . 1 . 2]" 1
474 1 19 ILE H 1 19 ILE MD 4.100 . 4.100 3.583 1.691 3.809 . 0 0 "[ . 1 . 2]" 1
475 1 19 ILE H 1 19 ILE QG 4.050 . 4.050 2.210 2.018 3.059 . 0 0 "[ . 1 . 2]" 1
476 1 19 ILE H 1 20 ILE H 5.290 . 5.290 4.469 4.431 4.507 . 0 0 "[ . 1 . 2]" 1
477 1 19 ILE H 1 20 ILE MD 5.500 . 5.500 5.484 5.404 5.548 0.048 11 0 "[ . 1 . 2]" 1
478 1 19 ILE H 1 20 ILE HG13 5.500 . 5.500 4.374 4.254 4.473 . 0 0 "[ . 1 . 2]" 1
479 1 19 ILE HA 1 19 ILE MD 4.480 . 4.480 3.854 3.285 3.917 . 0 0 "[ . 1 . 2]" 1
480 1 19 ILE HA 1 20 ILE H 3.140 . 3.140 2.152 2.119 2.179 . 0 0 "[ . 1 . 2]" 1
481 1 19 ILE HA 1 35 MET H 5.320 . 5.320 4.814 4.478 4.995 . 0 0 "[ . 1 . 2]" 1
482 1 19 ILE HA 1 36 GLU H 5.500 . 5.500 4.202 3.787 4.508 . 0 0 "[ . 1 . 2]" 1
483 1 19 ILE HB 1 20 ILE H 5.180 . 5.180 4.037 3.914 4.186 . 0 0 "[ . 1 . 2]" 1
484 1 19 ILE MD 1 36 GLU H 5.500 . 5.500 5.236 4.774 5.514 0.014 16 0 "[ . 1 . 2]" 1
485 1 19 ILE MD 1 36 GLU HB2 4.860 . 4.860 3.512 3.227 3.876 . 0 0 "[ . 1 . 2]" 1
486 1 19 ILE QG 1 19 ILE MG 3.020 . 3.020 2.314 2.066 2.357 . 0 0 "[ . 1 . 2]" 1
487 1 19 ILE QG 1 36 GLU H 5.500 . 5.500 4.348 3.717 4.920 . 0 0 "[ . 1 . 2]" 1
488 1 19 ILE QG 1 36 GLU HB2 3.480 . 3.480 2.192 1.744 2.981 . 0 0 "[ . 1 . 2]" 1
489 1 19 ILE QG 1 36 GLU HB3 5.500 . 5.500 3.816 3.419 4.483 . 0 0 "[ . 1 . 2]" 1
490 1 19 ILE QG 1 37 PHE H 5.080 . 5.080 4.440 4.233 4.707 . 0 0 "[ . 1 . 2]" 1
491 1 19 ILE MG 1 20 ILE H 4.020 . 4.020 2.624 2.513 2.739 . 0 0 "[ . 1 . 2]" 1
492 1 19 ILE MG 1 34 THR H 5.500 . 5.500 5.361 5.022 5.564 0.064 6 0 "[ . 1 . 2]" 1
493 1 19 ILE MG 1 34 THR HB 5.250 . 5.250 3.647 2.549 4.070 . 0 0 "[ . 1 . 2]" 1
494 1 19 ILE MG 1 34 THR MG 3.480 . 3.480 1.838 1.461 2.735 . 0 0 "[ . 1 . 2]" 1
495 1 19 ILE MG 1 35 MET H 4.810 . 4.810 3.442 3.089 3.664 . 0 0 "[ . 1 . 2]" 1
496 1 19 ILE MG 1 35 MET ME 5.500 . 5.500 5.552 4.959 5.704 0.204 2 0 "[ . 1 . 2]" 1
497 1 19 ILE MG 1 36 GLU H 5.120 . 5.120 3.543 3.011 4.183 . 0 0 "[ . 1 . 2]" 1
498 1 19 ILE MG 1 37 PHE H 4.900 . 4.900 4.750 4.452 4.938 0.038 18 0 "[ . 1 . 2]" 1
499 1 20 ILE H 1 20 ILE HB 3.720 . 3.720 2.727 2.679 2.773 . 0 0 "[ . 1 . 2]" 1
500 1 20 ILE H 1 20 ILE MD 5.500 . 5.500 4.052 3.970 4.163 . 0 0 "[ . 1 . 2]" 1
501 1 20 ILE H 1 20 ILE HG12 4.280 . 4.280 4.008 3.787 4.144 . 0 0 "[ . 1 . 2]" 1
502 1 20 ILE H 1 20 ILE HG13 4.930 . 4.930 2.863 2.678 3.052 . 0 0 "[ . 1 . 2]" 1
503 1 20 ILE H 1 21 ALA H 5.050 . 5.050 4.234 4.126 4.322 . 0 0 "[ . 1 . 2]" 1
504 1 20 ILE H 1 22 HIS HD2 5.500 . 5.500 4.680 4.304 5.029 . 0 0 "[ . 1 . 2]" 1
505 1 20 ILE H 1 34 THR HA 5.500 . 5.500 4.522 4.246 4.861 . 0 0 "[ . 1 . 2]" 1
506 1 20 ILE H 1 34 THR MG 4.690 . 4.690 3.771 3.297 4.518 . 0 0 "[ . 1 . 2]" 1
507 1 20 ILE H 1 35 MET H 4.200 . 4.200 3.312 3.104 3.614 . 0 0 "[ . 1 . 2]" 1
508 1 20 ILE H 1 36 GLU H 5.500 . 5.500 4.665 4.327 4.880 . 0 0 "[ . 1 . 2]" 1
509 1 20 ILE H 1 37 PHE HB2 5.500 . 5.500 5.084 4.767 5.478 . 0 0 "[ . 1 . 2]" 1
510 1 20 ILE H 1 37 PHE QD 4.380 . 4.380 3.028 2.754 3.408 . 0 0 "[ . 1 . 2]" 1
511 1 20 ILE H 1 37 PHE QE 4.650 . 4.650 3.453 3.117 3.759 . 0 0 "[ . 1 . 2]" 1
512 1 20 ILE HA 1 21 ALA H 3.050 . 3.050 2.150 2.134 2.179 . 0 0 "[ . 1 . 2]" 1
513 1 20 ILE HA 1 21 ALA MB 5.070 . 5.070 4.047 4.030 4.072 . 0 0 "[ . 1 . 2]" 1
514 1 20 ILE HA 1 22 HIS H 5.500 . 5.500 5.115 5.021 5.238 . 0 0 "[ . 1 . 2]" 1
515 1 20 ILE HA 1 37 PHE QD 6.000 . 6.000 4.842 4.665 5.085 . 0 0 "[ . 1 . 2]" 1
516 1 20 ILE HB 1 20 ILE MD 3.740 . 3.740 2.404 2.378 2.436 . 0 0 "[ . 1 . 2]" 1
517 1 20 ILE HB 1 37 PHE QD 3.200 . 3.200 2.561 2.264 2.858 . 0 0 "[ . 1 . 2]" 1
518 1 20 ILE HB 1 37 PHE QE 3.200 . 3.200 2.162 1.922 2.761 . 0 0 "[ . 1 . 2]" 1
519 1 20 ILE MD 1 20 ILE MG 3.830 . 3.830 1.962 1.903 2.017 . 0 0 "[ . 1 . 2]" 1
520 1 20 ILE MD 1 21 ALA H 5.500 . 5.500 5.226 5.104 5.386 . 0 0 "[ . 1 . 2]" 1
521 1 20 ILE MD 1 22 HIS HD2 6.000 . 6.000 5.115 4.715 5.473 . 0 0 "[ . 1 . 2]" 1
522 1 20 ILE MD 1 37 PHE H 5.500 . 5.500 4.244 4.008 4.556 . 0 0 "[ . 1 . 2]" 1
523 1 20 ILE MD 1 37 PHE HB2 5.500 . 5.500 2.907 2.632 3.201 . 0 0 "[ . 1 . 2]" 1
524 1 20 ILE MD 1 37 PHE QD 4.200 . 4.200 2.471 2.187 3.045 . 0 0 "[ . 1 . 2]" 1
525 1 20 ILE MD 1 37 PHE QE 5.500 . 5.500 3.387 3.122 3.834 . 0 0 "[ . 1 . 2]" 1
526 1 20 ILE MD 1 54 VAL H 5.500 . 5.500 5.340 4.958 5.542 0.042 20 0 "[ . 1 . 2]" 1
527 1 20 ILE MD 1 54 VAL MG2 3.940 . 3.940 2.884 2.604 3.379 . 0 0 "[ . 1 . 2]" 1
528 1 20 ILE MD 1 56 PHE QD 6.000 . 6.000 3.447 3.293 3.786 . 0 0 "[ . 1 . 2]" 1
529 1 20 ILE MD 1 56 PHE QE 6.000 . 6.000 3.060 2.720 3.301 . 0 0 "[ . 1 . 2]" 1
530 1 20 ILE MD 1 56 PHE HZ 6.000 . 6.000 3.473 3.085 3.835 . 0 0 "[ . 1 . 2]" 1
531 1 20 ILE HG12 1 21 ALA H 5.370 . 5.370 4.525 4.398 4.738 . 0 0 "[ . 1 . 2]" 1
532 1 20 ILE HG13 1 21 ALA H 4.980 . 4.980 5.074 5.006 5.214 0.234 14 0 "[ . 1 . 2]" 1
533 1 20 ILE HG13 1 37 PHE H 5.500 . 5.500 3.956 3.619 4.328 . 0 0 "[ . 1 . 2]" 1
534 1 20 ILE HG13 1 37 PHE QD 6.000 . 6.000 2.740 2.349 3.121 . 0 0 "[ . 1 . 2]" 1
535 1 20 ILE HG13 1 37 PHE QE 6.000 . 6.000 4.144 3.855 4.534 . 0 0 "[ . 1 . 2]" 1
536 1 20 ILE MG 1 21 ALA H 3.870 . 3.870 2.792 2.591 3.003 . 0 0 "[ . 1 . 2]" 1
537 1 20 ILE MG 1 21 ALA MB 5.500 . 5.500 3.769 3.654 3.894 . 0 0 "[ . 1 . 2]" 1
538 1 20 ILE MG 1 22 HIS H 5.190 . 5.190 3.371 3.147 3.726 . 0 0 "[ . 1 . 2]" 1
539 1 20 ILE MG 1 22 HIS HA 5.240 . 5.240 3.085 2.925 3.263 . 0 0 "[ . 1 . 2]" 1
540 1 20 ILE MG 1 22 HIS HB2 5.090 . 5.090 4.170 4.006 4.357 . 0 0 "[ . 1 . 2]" 1
541 1 20 ILE MG 1 22 HIS HB3 4.180 . 4.180 2.892 2.672 3.105 . 0 0 "[ . 1 . 2]" 1
542 1 20 ILE MG 1 22 HIS HD2 6.000 . 6.000 4.153 3.863 4.416 . 0 0 "[ . 1 . 2]" 1
543 1 20 ILE MG 1 23 GLU H 5.500 . 5.500 4.972 4.794 5.115 . 0 0 "[ . 1 . 2]" 1
544 1 20 ILE MG 1 35 MET H 5.500 . 5.500 4.741 4.507 5.110 . 0 0 "[ . 1 . 2]" 1
545 1 20 ILE MG 1 37 PHE QD 6.000 . 6.000 4.040 3.797 4.306 . 0 0 "[ . 1 . 2]" 1
546 1 20 ILE MG 1 56 PHE QD 6.000 . 6.000 3.816 3.526 4.148 . 0 0 "[ . 1 . 2]" 1
547 1 20 ILE MG 1 56 PHE QE 4.200 . 4.200 2.287 2.058 2.661 . 0 0 "[ . 1 . 2]" 1
548 1 20 ILE MG 1 56 PHE HZ 6.000 . 6.000 2.640 2.159 3.119 . 0 0 "[ . 1 . 2]" 1
549 1 21 ALA H 1 21 ALA MB 3.480 . 3.480 2.272 2.252 2.304 . 0 0 "[ . 1 . 2]" 1
550 1 21 ALA H 1 22 HIS HA 5.500 . 5.500 5.052 4.888 5.177 . 0 0 "[ . 1 . 2]" 1
551 1 21 ALA H 1 34 THR HA 5.320 . 5.320 4.094 3.787 4.513 . 0 0 "[ . 1 . 2]" 1
552 1 21 ALA H 1 34 THR MG 5.270 . 5.270 3.172 2.760 3.885 . 0 0 "[ . 1 . 2]" 1
553 1 21 ALA HA 1 22 HIS H 3.080 . 3.080 2.213 2.184 2.234 . 0 0 "[ . 1 . 2]" 1
554 1 21 ALA HA 1 34 THR H 4.650 . 4.650 4.100 3.797 4.504 . 0 0 "[ . 1 . 2]" 1
555 1 21 ALA HA 1 35 MET H 3.890 . 3.890 3.302 3.067 3.623 . 0 0 "[ . 1 . 2]" 1
556 1 21 ALA MB 1 22 HIS H 4.280 . 4.280 3.535 3.491 3.568 . 0 0 "[ . 1 . 2]" 1
557 1 21 ALA MB 1 22 HIS HD2 6.000 . 6.000 5.843 5.669 5.991 . 0 0 "[ . 1 . 2]" 1
558 1 21 ALA MB 1 23 GLU H 5.500 . 5.500 5.598 5.561 5.678 0.178 4 0 "[ . 1 . 2]" 1
559 1 21 ALA MB 1 34 THR H 5.500 . 5.500 4.411 4.100 4.839 . 0 0 "[ . 1 . 2]" 1
560 1 21 ALA MB 1 34 THR MG 4.450 . 4.450 2.470 2.147 2.900 . 0 0 "[ . 1 . 2]" 1
561 1 21 ALA MB 1 35 MET H 5.500 . 5.500 4.693 4.480 4.955 . 0 0 "[ . 1 . 2]" 1
562 1 22 HIS H 1 22 HIS HD2 4.420 . 4.420 3.025 2.862 3.158 . 0 0 "[ . 1 . 2]" 1
563 1 22 HIS H 1 22 HIS HE1 5.500 . 5.500 5.010 4.872 5.131 . 0 0 "[ . 1 . 2]" 1
564 1 22 HIS H 1 23 GLU H 5.480 . 5.480 4.553 4.519 4.587 . 0 0 "[ . 1 . 2]" 1
565 1 22 HIS H 1 25 ILE MD 5.500 . 5.500 4.987 4.752 5.290 . 0 0 "[ . 1 . 2]" 1
566 1 22 HIS H 1 32 ALA HA 5.250 . 5.250 5.055 4.718 5.269 0.019 11 0 "[ . 1 . 2]" 1
567 1 22 HIS H 1 32 ALA MB 5.500 . 5.500 5.403 5.180 5.543 0.043 15 0 "[ . 1 . 2]" 1
568 1 22 HIS H 1 33 MET H 4.740 . 4.740 3.675 3.333 3.872 . 0 0 "[ . 1 . 2]" 1
569 1 22 HIS H 1 33 MET HA 5.500 . 5.500 5.187 4.898 5.511 0.011 18 0 "[ . 1 . 2]" 1
570 1 22 HIS H 1 33 MET HG3 5.500 . 5.500 5.075 4.590 5.491 . 0 0 "[ . 1 . 2]" 1
571 1 22 HIS H 1 34 THR H 5.500 . 5.500 5.080 4.739 5.487 . 0 0 "[ . 1 . 2]" 1
572 1 22 HIS H 1 34 THR HA 3.890 . 3.890 3.121 2.849 3.612 . 0 0 "[ . 1 . 2]" 1
573 1 22 HIS H 1 34 THR MG 5.500 . 5.500 4.493 4.251 4.854 . 0 0 "[ . 1 . 2]" 1
574 1 22 HIS H 1 35 MET H 5.260 . 5.260 3.383 3.151 3.642 . 0 0 "[ . 1 . 2]" 1
575 1 22 HIS H 1 56 PHE QE 5.500 . 5.500 5.540 5.484 5.604 0.104 1 0 "[ . 1 . 2]" 1
576 1 22 HIS H 1 56 PHE HZ 5.500 . 5.500 4.717 4.555 4.942 . 0 0 "[ . 1 . 2]" 1
577 1 22 HIS HA 1 23 GLU H 3.490 . 3.490 2.265 2.224 2.322 . 0 0 "[ . 1 . 2]" 1
578 1 22 HIS HB2 1 23 GLU H 3.800 . 3.800 2.664 2.537 2.739 . 0 0 "[ . 1 . 2]" 1
579 1 22 HIS HB2 1 25 ILE MD 5.250 . 5.250 2.575 2.045 3.244 . 0 0 "[ . 1 . 2]" 1
580 1 22 HIS HB2 1 56 PHE QE 4.200 . 4.200 4.044 3.819 4.217 0.017 7 0 "[ . 1 . 2]" 1
581 1 22 HIS HB2 1 56 PHE HZ 4.200 . 4.200 3.054 2.721 3.282 . 0 0 "[ . 1 . 2]" 1
582 1 22 HIS HB3 1 23 GLU H 4.240 . 4.240 3.854 3.765 3.934 . 0 0 "[ . 1 . 2]" 1
583 1 22 HIS HB3 1 56 PHE QE 5.410 . 5.410 3.444 3.256 3.594 . 0 0 "[ . 1 . 2]" 1
584 1 22 HIS HB3 1 56 PHE HZ 4.200 . 4.200 2.080 1.807 2.238 . 0 0 "[ . 1 . 2]" 1
585 1 22 HIS HD2 1 30 TRP HZ3 6.000 . 6.000 4.348 3.673 5.046 . 0 0 "[ . 1 . 2]" 1
586 1 22 HIS HD2 1 34 THR HA 6.000 . 6.000 4.553 4.197 4.782 . 0 0 "[ . 1 . 2]" 1
587 1 22 HIS HD2 1 34 THR MG 6.000 . 6.000 5.644 5.268 5.864 . 0 0 "[ . 1 . 2]" 1
588 1 22 HIS HD2 1 35 MET H 4.610 . 4.610 3.119 2.732 3.399 . 0 0 "[ . 1 . 2]" 1
589 1 22 HIS HD2 1 35 MET HA 6.000 . 6.000 5.114 4.806 5.532 . 0 0 "[ . 1 . 2]" 1
590 1 22 HIS HD2 1 35 MET HB2 4.200 . 4.200 3.018 2.082 4.296 0.096 20 0 "[ . 1 . 2]" 1
591 1 22 HIS HD2 1 35 MET ME 6.000 . 6.000 4.789 3.979 5.553 . 0 0 "[ . 1 . 2]" 1
592 1 22 HIS HD2 1 35 MET HG2 6.000 . 6.000 4.806 4.065 5.435 . 0 0 "[ . 1 . 2]" 1
593 1 22 HIS HD2 1 35 MET HG3 6.000 . 6.000 4.643 3.815 5.949 . 0 0 "[ . 1 . 2]" 1
594 1 22 HIS HD2 1 37 PHE QD 6.000 . 6.000 4.369 4.111 4.634 . 0 0 "[ . 1 . 2]" 1
595 1 22 HIS HD2 1 37 PHE QE 3.200 . 3.200 2.110 1.798 2.367 0.002 20 0 "[ . 1 . 2]" 1
596 1 22 HIS HD2 1 37 PHE HZ 3.200 . 3.200 2.350 2.099 2.630 . 0 0 "[ . 1 . 2]" 1
597 1 22 HIS HD2 1 56 PHE HZ 4.200 . 4.200 4.020 3.771 4.212 0.012 1 0 "[ . 1 . 2]" 1
598 1 22 HIS HE1 1 24 ALA HA 6.000 . 6.000 4.807 4.516 5.088 . 0 0 "[ . 1 . 2]" 1
599 1 22 HIS HE1 1 25 ILE HB 6.000 . 6.000 4.526 4.114 5.038 . 0 0 "[ . 1 . 2]" 1
600 1 22 HIS HE1 1 25 ILE MD 6.000 . 6.000 3.110 2.794 4.627 . 0 0 "[ . 1 . 2]" 1
601 1 22 HIS HE1 1 30 TRP HB2 6.000 . 6.000 3.552 2.701 4.029 . 0 0 "[ . 1 . 2]" 1
602 1 22 HIS HE1 1 30 TRP HB3 6.000 . 6.000 2.916 1.775 3.534 0.025 14 0 "[ . 1 . 2]" 1
603 1 22 HIS HE1 1 30 TRP HE3 4.200 . 4.200 2.438 1.874 3.114 . 0 0 "[ . 1 . 2]" 1
604 1 22 HIS HE1 1 30 TRP HZ3 6.000 . 6.000 4.220 3.563 5.360 . 0 0 "[ . 1 . 2]" 1
605 1 22 HIS HE1 1 32 ALA HA 6.000 . 6.000 3.690 3.373 4.043 . 0 0 "[ . 1 . 2]" 1
606 1 22 HIS HE1 1 32 ALA MB 6.000 . 6.000 5.097 4.859 5.428 . 0 0 "[ . 1 . 2]" 1
607 1 22 HIS HE1 1 33 MET H 5.500 . 5.500 3.207 2.692 3.760 . 0 0 "[ . 1 . 2]" 1
608 1 22 HIS HE1 1 33 MET ME 6.000 . 6.000 2.938 2.372 3.673 . 0 0 "[ . 1 . 2]" 1
609 1 22 HIS HE1 1 33 MET HG2 6.000 . 6.000 2.582 2.033 3.247 . 0 0 "[ . 1 . 2]" 1
610 1 22 HIS HE1 1 33 MET HG3 6.000 . 6.000 2.831 2.407 3.270 . 0 0 "[ . 1 . 2]" 1
611 1 23 GLU H 1 23 GLU QB 3.540 . 3.540 2.430 2.304 2.701 . 0 0 "[ . 1 . 2]" 1
612 1 23 GLU H 1 23 GLU QG 3.680 . 3.680 2.207 1.658 2.405 . 0 0 "[ . 1 . 2]" 1
613 1 23 GLU H 1 24 ALA H 5.100 . 5.100 4.434 4.320 4.486 . 0 0 "[ . 1 . 2]" 1
614 1 23 GLU H 1 32 ALA MB 5.500 . 5.500 4.772 4.471 5.122 . 0 0 "[ . 1 . 2]" 1
615 1 23 GLU H 1 56 PHE QE 5.500 . 5.500 5.205 4.805 5.438 . 0 0 "[ . 1 . 2]" 1
616 1 23 GLU H 1 56 PHE HZ 5.500 . 5.500 4.975 4.614 5.278 . 0 0 "[ . 1 . 2]" 1
617 1 23 GLU HA 1 23 GLU QG 3.710 . 3.710 2.836 2.348 3.381 . 0 0 "[ . 1 . 2]" 1
618 1 23 GLU HA 1 24 ALA H 3.200 . 3.200 2.767 2.630 2.930 . 0 0 "[ . 1 . 2]" 1
619 1 23 GLU HA 1 24 ALA HA 4.340 . 4.340 4.283 4.215 4.383 0.043 16 0 "[ . 1 . 2]" 1
620 1 23 GLU HA 1 24 ALA MB 5.120 . 5.120 4.357 4.273 4.457 . 0 0 "[ . 1 . 2]" 1
621 1 23 GLU HA 1 32 ALA H 5.480 . 5.480 5.006 4.542 5.451 . 0 0 "[ . 1 . 2]" 1
622 1 23 GLU HA 1 32 ALA HA 3.760 . 3.760 3.277 2.848 3.812 0.052 17 0 "[ . 1 . 2]" 1
623 1 23 GLU HA 1 32 ALA MB 3.630 . 3.630 2.593 2.216 3.137 . 0 0 "[ . 1 . 2]" 1
624 1 23 GLU QB 1 24 ALA H . . 3.120 1.806 1.708 1.969 . 0 0 "[ . 1 . 2]" 1
625 1 23 GLU QB 1 24 ALA HA 5.030 . 5.030 4.250 4.114 4.519 . 0 0 "[ . 1 . 2]" 1
626 1 23 GLU QB 1 24 ALA MB 4.510 . 4.510 3.448 3.358 3.681 . 0 0 "[ . 1 . 2]" 1
627 1 23 GLU QB 1 25 ILE H 5.500 . 5.500 3.454 2.724 4.974 . 0 0 "[ . 1 . 2]" 1
628 1 23 GLU QB 1 32 ALA MB 4.600 . 4.600 3.700 3.349 4.146 . 0 0 "[ . 1 . 2]" 1
629 1 23 GLU QG 1 24 ALA H 4.400 . 4.400 3.670 2.715 3.998 . 0 0 "[ . 1 . 2]" 1
630 1 23 GLU QG 1 32 ALA MB 5.500 . 5.500 4.486 3.591 5.080 . 0 0 "[ . 1 . 2]" 1
631 1 24 ALA H 1 24 ALA MB 3.200 . 3.200 2.240 2.216 2.263 . 0 0 "[ . 1 . 2]" 1
632 1 24 ALA H 1 25 ILE H 5.140 . 5.140 3.049 2.605 4.419 . 0 0 "[ . 1 . 2]" 1
633 1 24 ALA H 1 25 ILE HA 5.500 . 5.500 5.048 4.870 5.376 . 0 0 "[ . 1 . 2]" 1
634 1 24 ALA H 1 31 GLY HA2 5.500 . 5.500 5.194 4.726 5.521 0.021 12 0 "[ . 1 . 2]" 1
635 1 24 ALA H 1 32 ALA HA 4.290 . 4.290 4.009 3.813 4.300 0.010 5 0 "[ . 1 . 2]" 1
636 1 24 ALA H 1 32 ALA MB 3.870 . 3.870 2.924 2.743 3.278 . 0 0 "[ . 1 . 2]" 1
637 1 24 ALA HA 1 25 ILE H 3.400 . 3.400 3.232 2.069 3.521 0.121 20 0 "[ . 1 . 2]" 1
638 1 24 ALA HA 1 25 ILE HG12 5.500 . 5.500 5.366 3.921 5.594 0.094 20 0 "[ . 1 . 2]" 1
639 1 24 ALA HA 1 25 ILE HG13 4.830 . 4.830 4.036 3.598 5.489 0.659 17 1 "[ . 1 . + 2]" 1
640 1 24 ALA HA 1 30 TRP H 5.480 . 5.480 5.081 4.446 5.515 0.035 17 0 "[ . 1 . 2]" 1
641 1 24 ALA HA 1 31 GLY HA2 3.630 . 3.630 2.795 2.204 3.246 . 0 0 "[ . 1 . 2]" 1
642 1 24 ALA MB 1 25 ILE H 3.660 . 3.660 2.718 2.250 3.628 . 0 0 "[ . 1 . 2]" 1
643 1 24 ALA MB 1 25 ILE HG13 4.990 . 4.990 4.673 4.434 5.743 0.753 17 1 "[ . 1 . + 2]" 1
644 1 24 ALA MB 1 25 ILE MG 5.290 . 5.290 5.127 4.969 5.499 0.209 7 0 "[ . 1 . 2]" 1
645 1 24 ALA MB 1 26 PRO HA 5.470 . 5.470 4.471 4.186 4.857 . 0 0 "[ . 1 . 2]" 1
646 1 24 ALA MB 1 26 PRO HD2 5.180 . 5.180 4.988 4.677 5.393 0.213 7 0 "[ . 1 . 2]" 1
647 1 24 ALA MB 1 26 PRO HD3 4.550 . 4.550 3.624 3.338 3.984 . 0 0 "[ . 1 . 2]" 1
648 1 24 ALA MB 1 30 TRP H 5.500 . 5.500 4.580 3.718 5.522 0.022 14 0 "[ . 1 . 2]" 1
649 1 24 ALA MB 1 31 GLY H 5.500 . 5.500 4.750 4.533 5.306 . 0 0 "[ . 1 . 2]" 1
650 1 24 ALA MB 1 31 GLY HA2 3.760 . 3.760 2.688 2.490 2.912 . 0 0 "[ . 1 . 2]" 1
651 1 24 ALA MB 1 31 GLY HA3 4.180 . 4.180 4.149 3.732 4.275 0.095 9 0 "[ . 1 . 2]" 1
652 1 24 ALA MB 1 32 ALA H 4.140 . 4.140 3.356 3.173 3.664 . 0 0 "[ . 1 . 2]" 1
653 1 25 ILE H 1 25 ILE HB 3.720 . 3.720 3.474 2.536 3.742 0.022 17 0 "[ . 1 . 2]" 1
654 1 25 ILE H 1 25 ILE MD 5.500 . 5.500 4.235 2.856 4.569 . 0 0 "[ . 1 . 2]" 1
655 1 25 ILE H 1 25 ILE HG12 4.590 . 4.590 3.434 2.969 3.629 . 0 0 "[ . 1 . 2]" 1
656 1 25 ILE H 1 25 ILE HG13 4.060 . 4.060 2.963 1.757 4.587 0.527 17 1 "[ . 1 . + 2]" 1
657 1 25 ILE H 1 26 PRO HD3 4.430 . 4.430 2.930 2.288 4.014 . 0 0 "[ . 1 . 2]" 1
658 1 25 ILE H 1 26 PRO HG3 5.500 . 5.500 4.907 4.085 5.604 0.104 7 0 "[ . 1 . 2]" 1
659 1 25 ILE H 1 32 ALA HA 5.340 . 5.340 5.114 4.094 5.403 0.063 5 0 "[ . 1 . 2]" 1
660 1 25 ILE H 1 32 ALA MB 5.500 . 5.500 4.935 4.585 5.238 . 0 0 "[ . 1 . 2]" 1
661 1 25 ILE HA 1 26 PRO HD2 3.600 . 3.600 2.274 1.918 2.634 . 0 0 "[ . 1 . 2]" 1
662 1 25 ILE HA 1 26 PRO HD3 3.450 . 3.450 2.375 1.976 2.768 . 0 0 "[ . 1 . 2]" 1
663 1 25 ILE HA 1 27 SER H 4.170 . 4.170 3.288 3.020 3.622 . 0 0 "[ . 1 . 2]" 1
664 1 25 ILE HA 1 28 ALA H 5.500 . 5.500 4.361 4.282 4.550 . 0 0 "[ . 1 . 2]" 1
665 1 25 ILE HA 1 29 GLN H 5.500 . 5.500 5.387 5.210 5.520 0.020 13 0 "[ . 1 . 2]" 1
666 1 25 ILE HA 1 30 TRP H 5.500 . 5.500 5.106 4.742 5.348 . 0 0 "[ . 1 . 2]" 1
667 1 25 ILE HB 1 28 ALA H 5.500 . 5.500 3.521 3.140 3.845 . 0 0 "[ . 1 . 2]" 1
668 1 25 ILE HB 1 28 ALA MB 4.750 . 4.750 2.973 2.597 3.382 . 0 0 "[ . 1 . 2]" 1
669 1 25 ILE HB 1 29 GLN H 5.480 . 5.480 4.299 3.943 4.692 . 0 0 "[ . 1 . 2]" 1
670 1 25 ILE HB 1 30 TRP H 4.080 . 4.080 2.972 2.410 3.279 . 0 0 "[ . 1 . 2]" 1
671 1 25 ILE HB 1 30 TRP HB2 3.960 . 3.960 2.235 1.777 2.449 . 0 0 "[ . 1 . 2]" 1
672 1 25 ILE HB 1 30 TRP HB3 4.440 . 4.440 3.886 3.441 4.135 . 0 0 "[ . 1 . 2]" 1
673 1 25 ILE HB 1 30 TRP HE3 6.000 . 6.000 3.621 2.862 4.697 . 0 0 "[ . 1 . 2]" 1
674 1 25 ILE HB 1 31 GLY H 5.500 . 5.500 5.579 5.199 5.660 0.160 12 0 "[ . 1 . 2]" 1
675 1 25 ILE MD 1 28 ALA H 5.500 . 5.500 4.655 4.192 4.935 . 0 0 "[ . 1 . 2]" 1
676 1 25 ILE MD 1 28 ALA MB 5.460 . 5.460 3.328 3.010 4.521 . 0 0 "[ . 1 . 2]" 1
677 1 25 ILE MD 1 30 TRP H 5.500 . 5.500 4.694 4.055 5.532 0.032 17 0 "[ . 1 . 2]" 1
678 1 25 ILE MD 1 30 TRP HB2 5.500 . 5.500 3.128 2.243 4.579 . 0 0 "[ . 1 . 2]" 1
679 1 25 ILE MD 1 30 TRP HB3 5.500 . 5.500 3.976 3.014 5.569 0.069 17 0 "[ . 1 . 2]" 1
680 1 25 ILE MD 1 30 TRP HE3 . . 4.140 2.070 1.766 3.855 0.034 14 0 "[ . 1 . 2]" 1
681 1 25 ILE MD 1 30 TRP HZ3 6.000 . 6.000 3.133 2.543 4.335 . 0 0 "[ . 1 . 2]" 1
682 1 25 ILE MD 1 58 PHE QD 6.000 . 6.000 4.027 3.568 4.492 . 0 0 "[ . 1 . 2]" 1
683 1 25 ILE MD 1 58 PHE HZ 4.200 . 4.200 2.687 1.958 4.248 0.048 17 0 "[ . 1 . 2]" 1
684 1 25 ILE HG12 1 25 ILE MG 3.730 . 3.730 2.463 2.345 3.196 . 0 0 "[ . 1 . 2]" 1
685 1 25 ILE MG 1 26 PRO HD2 5.390 . 5.390 3.341 3.131 3.654 . 0 0 "[ . 1 . 2]" 1
686 1 25 ILE MG 1 26 PRO HD3 5.230 . 5.230 4.080 3.677 4.389 . 0 0 "[ . 1 . 2]" 1
687 1 25 ILE MG 1 27 SER H 4.740 . 4.740 2.335 2.052 2.695 . 0 0 "[ . 1 . 2]" 1
688 1 25 ILE MG 1 28 ALA H 4.670 . 4.670 1.821 1.547 2.040 . 0 0 "[ . 1 . 2]" 1
689 1 25 ILE MG 1 28 ALA MB 4.090 . 4.090 2.244 2.051 2.642 . 0 0 "[ . 1 . 2]" 1
690 1 25 ILE MG 1 29 GLN H 5.500 . 5.500 3.419 3.125 3.657 . 0 0 "[ . 1 . 2]" 1
691 1 25 ILE MG 1 30 TRP H 5.400 . 5.400 3.665 3.347 4.004 . 0 0 "[ . 1 . 2]" 1
692 1 25 ILE MG 1 30 TRP HB2 5.070 . 5.070 3.643 3.240 3.850 . 0 0 "[ . 1 . 2]" 1
693 1 25 ILE MG 1 30 TRP HE3 6.000 . 6.000 3.922 2.973 5.118 . 0 0 "[ . 1 . 2]" 1
694 1 25 ILE MG 1 58 PHE QE 4.200 . 4.200 2.700 1.984 3.141 . 0 0 "[ . 1 . 2]" 1
695 1 25 ILE MG 1 58 PHE HZ 6.000 . 6.000 2.586 2.038 2.985 . 0 0 "[ . 1 . 2]" 1
696 1 26 PRO HA 1 27 SER HA 4.860 . 4.860 4.739 4.636 4.867 0.007 13 0 "[ . 1 . 2]" 1
697 1 26 PRO HA 1 28 ALA H 5.500 . 5.500 3.915 3.727 4.313 . 0 0 "[ . 1 . 2]" 1
698 1 26 PRO HA 1 29 GLN H 4.140 . 4.140 3.194 2.983 3.381 . 0 0 "[ . 1 . 2]" 1
699 1 26 PRO HA 1 29 GLN HA 3.680 . 3.680 3.270 2.964 3.638 . 0 0 "[ . 1 . 2]" 1
700 1 26 PRO HA 1 29 GLN HE21 5.500 . 5.500 4.812 3.250 5.813 0.313 2 0 "[ . 1 . 2]" 1
701 1 26 PRO HA 1 30 TRP H 4.380 . 4.380 4.320 3.886 4.446 0.066 20 0 "[ . 1 . 2]" 1
702 1 26 PRO HB2 1 27 SER H 4.150 . 4.150 3.457 2.701 3.923 . 0 0 "[ . 1 . 2]" 1
703 1 26 PRO HB2 1 27 SER HA 5.030 . 5.030 4.136 3.847 4.424 . 0 0 "[ . 1 . 2]" 1
704 1 26 PRO HD2 1 27 SER H 4.990 . 4.990 2.629 2.350 2.868 . 0 0 "[ . 1 . 2]" 1
705 1 26 PRO HD3 1 27 SER H 5.480 . 5.480 3.789 3.569 3.958 . 0 0 "[ . 1 . 2]" 1
706 1 26 PRO HG2 1 27 SER H 5.090 . 5.090 3.557 2.407 4.473 . 0 0 "[ . 1 . 2]" 1
707 1 26 PRO HG3 1 27 SER H 5.500 . 5.500 4.413 3.931 4.699 . 0 0 "[ . 1 . 2]" 1
708 1 27 SER H 1 27 SER QB 3.880 . 3.880 2.522 2.265 2.818 . 0 0 "[ . 1 . 2]" 1
709 1 27 SER H 1 28 ALA H 4.410 . 4.410 2.475 2.247 2.738 . 0 0 "[ . 1 . 2]" 1
710 1 27 SER H 1 28 ALA MB 5.500 . 5.500 4.279 4.076 4.550 . 0 0 "[ . 1 . 2]" 1
711 1 27 SER H 1 29 GLN H 5.340 . 5.340 3.700 3.498 3.950 . 0 0 "[ . 1 . 2]" 1
712 1 27 SER HA 1 29 GLN H 4.890 . 4.890 4.253 3.996 4.399 . 0 0 "[ . 1 . 2]" 1
713 1 27 SER HA 1 29 GLN HE21 5.500 . 5.500 4.781 3.519 5.552 0.052 13 0 "[ . 1 . 2]" 1
714 1 27 SER HA 1 29 GLN HE22 5.500 . 5.500 3.880 3.277 4.618 . 0 0 "[ . 1 . 2]" 1
715 1 27 SER QB 1 28 ALA H 5.240 . 5.240 3.019 2.569 3.607 . 0 0 "[ . 1 . 2]" 1
716 1 28 ALA H 1 29 GLN H 3.470 . 3.470 1.984 1.858 2.148 . 0 0 "[ . 1 . 2]" 1
717 1 28 ALA H 1 29 GLN HB2 5.500 . 5.500 5.038 4.636 5.294 . 0 0 "[ . 1 . 2]" 1
718 1 28 ALA H 1 30 TRP H 5.500 . 5.500 3.450 3.168 3.956 . 0 0 "[ . 1 . 2]" 1
719 1 28 ALA HA 1 29 GLN HE21 5.500 . 5.500 4.121 2.956 5.524 0.024 3 0 "[ . 1 . 2]" 1
720 1 28 ALA HA 1 29 GLN HE22 5.500 . 5.500 3.939 3.249 5.522 0.022 8 0 "[ . 1 . 2]" 1
721 1 28 ALA HA 1 30 TRP HE1 5.500 . 5.500 5.275 4.769 5.529 0.029 5 0 "[ . 1 . 2]" 1
722 1 28 ALA MB 1 29 GLN H 4.840 . 4.840 3.263 3.139 3.380 . 0 0 "[ . 1 . 2]" 1
723 1 28 ALA MB 1 30 TRP H 4.450 . 4.450 3.128 2.832 3.790 . 0 0 "[ . 1 . 2]" 1
724 1 28 ALA MB 1 30 TRP HB2 5.500 . 5.500 3.217 2.748 3.664 . 0 0 "[ . 1 . 2]" 1
725 1 28 ALA MB 1 30 TRP HD1 6.000 . 6.000 3.551 2.621 4.073 . 0 0 "[ . 1 . 2]" 1
726 1 28 ALA MB 1 30 TRP HE1 5.230 . 5.230 3.242 2.781 3.716 . 0 0 "[ . 1 . 2]" 1
727 1 28 ALA MB 1 58 PHE QE 6.000 . 6.000 3.462 2.949 4.068 . 0 0 "[ . 1 . 2]" 1
728 1 28 ALA MB 1 58 PHE HZ 6.000 . 6.000 2.685 2.156 3.308 . 0 0 "[ . 1 . 2]" 1
729 1 28 ALA MB 1 60 LEU QD . . 5.100 2.932 2.262 4.226 . 0 0 "[ . 1 . 2]" 1
730 1 29 GLN H 1 29 GLN HB2 3.730 . 3.730 3.391 3.132 3.539 . 0 0 "[ . 1 . 2]" 1
731 1 29 GLN H 1 29 GLN HE22 4.590 . 4.590 3.588 3.071 4.146 . 0 0 "[ . 1 . 2]" 1
732 1 29 GLN H 1 30 TRP H 3.640 . 3.640 2.672 2.562 2.930 . 0 0 "[ . 1 . 2]" 1
733 1 29 GLN H 1 30 TRP HA 5.500 . 5.500 5.239 5.185 5.333 . 0 0 "[ . 1 . 2]" 1
734 1 29 GLN H 1 30 TRP HB2 5.500 . 5.500 4.756 4.567 4.897 . 0 0 "[ . 1 . 2]" 1
735 1 29 GLN HA 1 29 GLN HB2 2.940 . 2.940 2.978 2.784 3.013 0.073 15 0 "[ . 1 . 2]" 1
736 1 29 GLN HA 1 29 GLN HE21 5.500 . 5.500 3.592 2.339 4.332 . 0 0 "[ . 1 . 2]" 1
737 1 29 GLN HA 1 29 GLN HG2 3.750 . 3.750 3.604 3.408 3.669 . 0 0 "[ . 1 . 2]" 1
738 1 29 GLN HA 1 29 GLN HG3 3.620 . 3.620 2.403 2.140 2.633 . 0 0 "[ . 1 . 2]" 1
739 1 29 GLN HA 1 30 TRP H 3.330 . 3.330 2.795 2.429 2.958 . 0 0 "[ . 1 . 2]" 1
740 1 29 GLN HA 1 30 TRP HA 5.430 . 5.430 4.543 4.443 4.620 . 0 0 "[ . 1 . 2]" 1
741 1 29 GLN HA 1 30 TRP HD1 6.000 . 6.000 5.027 4.407 5.437 . 0 0 "[ . 1 . 2]" 1
742 1 29 GLN HB2 1 30 TRP H 4.950 . 4.950 4.266 4.094 4.458 . 0 0 "[ . 1 . 2]" 1
743 1 29 GLN HB2 1 30 TRP HD1 6.000 . 6.000 4.347 3.752 5.345 . 0 0 "[ . 1 . 2]" 1
744 1 29 GLN HB3 1 30 TRP HD1 6.000 . 6.000 4.597 4.119 5.244 . 0 0 "[ . 1 . 2]" 1
745 1 30 TRP H 1 30 TRP HB2 3.510 . 3.510 2.406 2.313 2.523 . 0 0 "[ . 1 . 2]" 1
746 1 30 TRP H 1 30 TRP HB3 3.940 . 3.940 3.629 3.569 3.707 . 0 0 "[ . 1 . 2]" 1
747 1 30 TRP H 1 30 TRP HD1 4.370 . 4.370 3.504 3.037 3.878 . 0 0 "[ . 1 . 2]" 1
748 1 30 TRP H 1 31 GLY H 5.040 . 5.040 4.478 4.255 4.557 . 0 0 "[ . 1 . 2]" 1
749 1 30 TRP H 1 31 GLY HA2 5.500 . 5.500 5.093 4.812 5.254 . 0 0 "[ . 1 . 2]" 1
750 1 30 TRP H 1 33 MET ME 5.500 . 5.500 5.427 4.797 5.553 0.053 12 0 "[ . 1 . 2]" 1
751 1 30 TRP HA 1 30 TRP HD1 3.200 . 3.200 2.211 2.075 2.669 . 0 0 "[ . 1 . 2]" 1
752 1 30 TRP HA 1 30 TRP HE1 4.980 . 4.980 4.652 4.547 4.755 . 0 0 "[ . 1 . 2]" 1
753 1 30 TRP HA 1 31 GLY H 3.290 . 3.290 2.453 2.125 2.573 . 0 0 "[ . 1 . 2]" 1
754 1 30 TRP HA 1 31 GLY HA2 4.750 . 4.750 4.399 4.358 4.440 . 0 0 "[ . 1 . 2]" 1
755 1 30 TRP HA 1 33 MET ME 4.650 . 4.650 3.741 2.503 4.291 . 0 0 "[ . 1 . 2]" 1
756 1 30 TRP HB2 1 30 TRP HE3 4.200 . 4.200 2.864 2.625 3.419 . 0 0 "[ . 1 . 2]" 1
757 1 30 TRP HB2 1 31 GLY H 5.150 . 5.150 3.659 3.421 4.416 . 0 0 "[ . 1 . 2]" 1
758 1 30 TRP HB2 1 33 MET ME 4.490 . 4.490 3.915 3.694 4.233 . 0 0 "[ . 1 . 2]" 1
759 1 30 TRP HB3 1 30 TRP HE3 4.200 . 4.200 3.037 2.528 3.305 . 0 0 "[ . 1 . 2]" 1
760 1 30 TRP HB3 1 31 GLY H 4.550 . 4.550 2.400 2.114 3.617 . 0 0 "[ . 1 . 2]" 1
761 1 30 TRP HB3 1 32 ALA H 5.500 . 5.500 3.917 2.785 5.694 0.194 16 0 "[ . 1 . 2]" 1
762 1 30 TRP HB3 1 33 MET ME 3.870 . 3.870 2.556 2.312 2.834 . 0 0 "[ . 1 . 2]" 1
763 1 30 TRP HD1 1 31 GLY H 5.280 . 5.280 4.358 4.088 4.864 . 0 0 "[ . 1 . 2]" 1
764 1 30 TRP HE1 1 33 MET ME 5.500 . 5.500 4.470 3.514 5.438 . 0 0 "[ . 1 . 2]" 1
765 1 30 TRP HE1 1 60 LEU QD . . 5.070 3.685 2.450 4.418 . 0 0 "[ . 1 . 2]" 1
766 1 30 TRP HE3 1 33 MET ME . . 4.990 3.379 2.295 5.024 0.034 2 0 "[ . 1 . 2]" 1
767 1 30 TRP HE3 1 58 PHE QE 6.000 . 6.000 4.724 4.155 5.300 . 0 0 "[ . 1 . 2]" 1
768 1 30 TRP HH2 1 35 MET ME 6.000 . 6.000 3.598 2.392 5.483 . 0 0 "[ . 1 . 2]" 1
769 1 30 TRP HH2 1 60 LEU QD 4.200 . 4.200 2.324 1.889 3.019 . 0 0 "[ . 1 . 2]" 1
770 1 30 TRP HH2 1 66 ALA MB 4.200 . 4.200 2.816 1.725 3.535 0.075 7 0 "[ . 1 . 2]" 1
771 1 30 TRP HZ2 1 58 PHE QE 6.000 . 6.000 4.081 2.795 4.687 . 0 0 "[ . 1 . 2]" 1
772 1 30 TRP HZ2 1 60 LEU QD 4.200 . 4.200 2.182 1.745 2.692 0.055 14 0 "[ . 1 . 2]" 1
773 1 30 TRP HZ3 1 35 MET ME 6.000 . 6.000 3.762 2.408 5.819 . 0 0 "[ . 1 . 2]" 1
774 1 30 TRP HZ3 1 35 MET HG2 6.000 . 6.000 5.080 2.639 6.011 0.011 13 0 "[ . 1 . 2]" 1
775 1 30 TRP HZ3 1 35 MET HG3 6.000 . 6.000 5.073 3.051 6.021 0.021 20 0 "[ . 1 . 2]" 1
776 1 30 TRP HZ3 1 37 PHE HZ 4.200 . 4.200 3.381 2.248 4.223 0.023 3 0 "[ . 1 . 2]" 1
777 1 30 TRP HZ3 1 60 LEU QD 6.000 . 6.000 4.041 3.582 4.864 . 0 0 "[ . 1 . 2]" 1
778 1 30 TRP HZ3 1 66 ALA MB 6.000 . 6.000 3.791 3.238 4.469 . 0 0 "[ . 1 . 2]" 1
779 1 31 GLY H 1 32 ALA H 5.140 . 5.140 3.395 2.557 4.539 . 0 0 "[ . 1 . 2]" 1
780 1 31 GLY H 1 32 ALA HA 5.500 . 5.500 5.027 4.573 5.603 0.103 2 0 "[ . 1 . 2]" 1
781 1 31 GLY H 1 33 MET ME 4.560 . 4.560 3.068 2.062 4.028 . 0 0 "[ . 1 . 2]" 1
782 1 31 GLY H 1 33 MET HG2 5.500 . 5.500 4.041 3.592 4.988 . 0 0 "[ . 1 . 2]" 1
783 1 31 GLY HA2 1 32 ALA H 3.230 . 3.230 2.654 2.334 2.959 . 0 0 "[ . 1 . 2]" 1
784 1 31 GLY HA2 1 32 ALA MB 5.450 . 5.450 3.873 3.728 4.160 . 0 0 "[ . 1 . 2]" 1
785 1 31 GLY HA3 1 32 ALA H 3.540 . 3.540 3.275 2.471 3.548 0.008 7 0 "[ . 1 . 2]" 1
786 1 31 GLY HA3 1 32 ALA MB 5.390 . 5.390 4.290 4.082 4.526 . 0 0 "[ . 1 . 2]" 1
787 1 32 ALA H 1 32 ALA MB 3.170 . 3.170 2.725 2.244 2.980 . 0 0 "[ . 1 . 2]" 1
788 1 32 ALA H 1 33 MET H 5.420 . 5.420 3.990 3.452 4.527 . 0 0 "[ . 1 . 2]" 1
789 1 32 ALA H 1 33 MET HG2 5.500 . 5.500 3.973 3.779 4.344 . 0 0 "[ . 1 . 2]" 1
790 1 32 ALA H 1 33 MET HG3 5.500 . 5.500 5.532 5.390 5.626 0.126 1 0 "[ . 1 . 2]" 1
791 1 32 ALA HA 1 33 MET QB 4.990 . 4.990 4.557 4.429 4.645 . 0 0 "[ . 1 . 2]" 1
792 1 32 ALA HA 1 33 MET HG2 4.810 . 4.810 3.783 3.515 4.224 . 0 0 "[ . 1 . 2]" 1
793 1 32 ALA MB 1 33 MET H 5.400 . 5.400 3.209 3.022 3.539 . 0 0 "[ . 1 . 2]" 1
794 1 33 MET H 1 33 MET HG2 5.500 . 5.500 2.858 2.577 3.106 . 0 0 "[ . 1 . 2]" 1
795 1 33 MET H 1 33 MET HG3 5.500 . 5.500 3.186 2.739 3.482 . 0 0 "[ . 1 . 2]" 1
796 1 33 MET H 1 34 THR H 5.250 . 5.250 4.268 4.195 4.351 . 0 0 "[ . 1 . 2]" 1
797 1 33 MET HA 1 33 MET HG2 3.690 . 3.690 3.694 3.619 3.740 0.050 5 0 "[ . 1 . 2]" 1
798 1 33 MET HA 1 34 THR H 2.990 . 2.990 2.258 2.193 2.333 . 0 0 "[ . 1 . 2]" 1
799 1 33 MET HA 1 35 MET H 5.500 . 5.500 5.588 5.538 5.629 0.129 7 0 "[ . 1 . 2]" 1
800 1 33 MET QB 1 34 THR H 3.050 . 3.050 2.633 2.435 2.785 . 0 0 "[ . 1 . 2]" 1
801 1 33 MET QB 1 34 THR HB 5.230 . 5.230 4.709 4.525 5.220 . 0 0 "[ . 1 . 2]" 1
802 1 33 MET HG3 1 34 THR H 4.730 . 4.730 4.207 3.984 4.538 . 0 0 "[ . 1 . 2]" 1
803 1 33 MET HG3 1 35 MET H 5.500 . 5.500 4.548 4.161 5.043 . 0 0 "[ . 1 . 2]" 1
804 1 34 THR H 1 34 THR HB 3.140 . 3.140 2.674 2.456 3.345 0.205 4 0 "[ . 1 . 2]" 1
805 1 34 THR H 1 34 THR MG 4.440 . 4.440 3.685 3.015 3.788 . 0 0 "[ . 1 . 2]" 1
806 1 34 THR H 1 35 MET HA 5.500 . 5.500 5.262 5.103 5.382 . 0 0 "[ . 1 . 2]" 1
807 1 34 THR HA 1 35 MET H 3.080 . 3.080 2.159 2.125 2.183 . 0 0 "[ . 1 . 2]" 1
808 1 34 THR HA 1 35 MET HA 4.470 . 4.470 4.399 4.385 4.418 . 0 0 "[ . 1 . 2]" 1
809 1 34 THR HB 1 35 MET H 4.640 . 4.640 4.273 3.849 4.406 . 0 0 "[ . 1 . 2]" 1
810 1 34 THR MG 1 35 MET H 3.950 . 3.950 3.238 3.121 3.756 . 0 0 "[ . 1 . 2]" 1
811 1 34 THR MG 1 35 MET HA 5.500 . 5.500 4.080 3.754 5.290 . 0 0 "[ . 1 . 2]" 1
812 1 35 MET H 1 35 MET HB2 4.080 . 4.080 2.763 2.446 3.208 . 0 0 "[ . 1 . 2]" 1
813 1 35 MET H 1 35 MET HB3 4.120 . 4.120 3.253 2.547 3.753 . 0 0 "[ . 1 . 2]" 1
814 1 35 MET H 1 35 MET HG3 5.310 . 5.310 4.058 3.185 4.687 . 0 0 "[ . 1 . 2]" 1
815 1 35 MET H 1 36 GLU H 4.660 . 4.660 4.451 4.402 4.514 . 0 0 "[ . 1 . 2]" 1
816 1 35 MET H 1 37 PHE QD 5.500 . 5.500 4.944 4.509 5.192 . 0 0 "[ . 1 . 2]" 1
817 1 35 MET H 1 37 PHE QE 4.850 . 4.850 3.652 3.286 3.874 . 0 0 "[ . 1 . 2]" 1
818 1 35 MET HA 1 35 MET ME 4.460 . 4.460 3.498 2.760 3.964 . 0 0 "[ . 1 . 2]" 1
819 1 35 MET HA 1 36 GLU H 2.930 . 2.930 2.305 2.185 2.381 . 0 0 "[ . 1 . 2]" 1
820 1 35 MET HA 1 37 PHE QE 6.000 . 6.000 5.342 4.909 5.639 . 0 0 "[ . 1 . 2]" 1
821 1 35 MET HB2 1 35 MET ME 3.600 . 3.600 2.553 1.841 3.454 . 0 0 "[ . 1 . 2]" 1
822 1 35 MET HB3 1 35 MET ME 3.250 . 3.250 2.462 1.764 3.461 0.211 16 0 "[ . 1 . 2]" 1
823 1 35 MET HB3 1 36 GLU H 4.830 . 4.830 3.012 2.277 4.062 . 0 0 "[ . 1 . 2]" 1
824 1 35 MET HB3 1 37 PHE QE 4.200 . 4.200 3.722 2.552 4.313 0.113 10 0 "[ . 1 . 2]" 1
825 1 35 MET ME 1 35 MET HG3 3.740 . 3.740 2.963 2.419 3.401 . 0 0 "[ . 1 . 2]" 1
826 1 35 MET ME 1 36 GLU H 4.530 . 4.530 3.506 2.234 4.315 . 0 0 "[ . 1 . 2]" 1
827 1 35 MET HG2 1 36 GLU H 4.230 . 4.230 3.601 2.779 4.357 0.127 3 0 "[ . 1 . 2]" 1
828 1 35 MET HG2 1 37 PHE QE 6.000 . 6.000 5.163 3.569 6.033 0.033 15 0 "[ . 1 . 2]" 1
829 1 35 MET HG3 1 36 GLU H 4.400 . 4.400 3.649 2.043 4.595 0.195 14 0 "[ . 1 . 2]" 1
830 1 35 MET HG3 1 37 PHE QE 6.000 . 6.000 5.195 3.852 5.635 . 0 0 "[ . 1 . 2]" 1
831 1 36 GLU H 1 36 GLU HB2 3.450 . 3.450 2.783 2.631 2.920 . 0 0 "[ . 1 . 2]" 1
832 1 36 GLU H 1 36 GLU HB3 3.220 . 3.220 2.491 2.326 2.608 . 0 0 "[ . 1 . 2]" 1
833 1 36 GLU H 1 37 PHE H 5.130 . 5.130 4.497 4.386 4.568 . 0 0 "[ . 1 . 2]" 1
834 1 36 GLU H 1 37 PHE QE 5.500 . 5.500 5.372 5.171 5.548 0.048 9 0 "[ . 1 . 2]" 1
835 1 36 GLU HA 1 37 PHE H 3.180 . 3.180 2.178 2.118 2.278 . 0 0 "[ . 1 . 2]" 1
836 1 36 GLU HA 1 37 PHE QD 4.200 . 4.200 3.494 3.110 3.795 . 0 0 "[ . 1 . 2]" 1
837 1 36 GLU HA 1 37 PHE QE 6.000 . 6.000 4.885 4.548 5.094 . 0 0 "[ . 1 . 2]" 1
838 1 36 GLU HB2 1 37 PHE H 4.200 . 4.200 4.165 4.047 4.356 0.156 4 0 "[ . 1 . 2]" 1
839 1 36 GLU HG2 1 37 PHE H 4.260 . 4.260 2.921 2.386 3.369 . 0 0 "[ . 1 . 2]" 1
840 1 36 GLU HG3 1 37 PHE H 4.770 . 4.770 3.030 2.650 3.412 . 0 0 "[ . 1 . 2]" 1
841 1 37 PHE H 1 37 PHE HB2 3.720 . 3.720 2.543 2.459 2.680 . 0 0 "[ . 1 . 2]" 1
842 1 37 PHE H 1 37 PHE QD 3.800 . 3.800 2.756 2.451 3.062 . 0 0 "[ . 1 . 2]" 1
843 1 37 PHE H 1 37 PHE QE 5.500 . 5.500 4.841 4.620 5.086 . 0 0 "[ . 1 . 2]" 1
844 1 37 PHE H 1 38 ALA HA 5.500 . 5.500 4.939 4.697 5.140 . 0 0 "[ . 1 . 2]" 1
845 1 37 PHE HA 1 37 PHE QD 3.200 . 3.200 2.969 2.829 3.117 . 0 0 "[ . 1 . 2]" 1
846 1 37 PHE HA 1 38 ALA H 2.950 . 2.950 2.175 2.102 2.281 . 0 0 "[ . 1 . 2]" 1
847 1 37 PHE HA 1 66 ALA MB 4.470 . 4.470 2.975 2.637 3.418 . 0 0 "[ . 1 . 2]" 1
848 1 37 PHE HA 1 67 THR H 5.500 . 5.500 5.485 4.817 5.605 0.105 4 0 "[ . 1 . 2]" 1
849 1 37 PHE HA 1 68 LEU H 5.000 . 5.000 4.329 4.107 4.609 . 0 0 "[ . 1 . 2]" 1
850 1 37 PHE HB2 1 37 PHE QD 3.200 . 3.200 2.408 2.348 2.528 . 0 0 "[ . 1 . 2]" 1
851 1 37 PHE HB2 1 38 ALA H 4.420 . 4.420 4.146 3.899 4.358 . 0 0 "[ . 1 . 2]" 1
852 1 37 PHE HB2 1 68 LEU H 5.140 . 5.140 4.657 4.329 4.997 . 0 0 "[ . 1 . 2]" 1
853 1 37 PHE HB2 1 68 LEU QD 4.300 . 4.300 2.958 2.211 4.001 . 0 0 "[ . 1 . 2]" 1
854 1 37 PHE HB3 1 37 PHE QD 3.200 . 3.200 2.368 2.288 2.429 . 0 0 "[ . 1 . 2]" 1
855 1 37 PHE HB3 1 38 ALA H 4.180 . 4.180 3.137 2.760 3.544 . 0 0 "[ . 1 . 2]" 1
856 1 37 PHE HB3 1 38 ALA MB 5.150 . 5.150 4.684 4.495 4.883 . 0 0 "[ . 1 . 2]" 1
857 1 37 PHE HB3 1 66 ALA MB 5.500 . 5.500 4.147 3.810 4.558 . 0 0 "[ . 1 . 2]" 1
858 1 37 PHE HB3 1 68 LEU H 4.640 . 4.640 3.114 2.818 3.357 . 0 0 "[ . 1 . 2]" 1
859 1 37 PHE HB3 1 68 LEU HB3 3.680 . 3.680 3.713 3.308 4.501 0.821 5 1 "[ + 1 . 2]" 1
860 1 37 PHE HB3 1 68 LEU QD 4.120 . 4.120 2.934 2.560 3.507 . 0 0 "[ . 1 . 2]" 1
861 1 37 PHE QD 1 38 ALA H 4.870 . 4.870 4.032 3.819 4.294 . 0 0 "[ . 1 . 2]" 1
862 1 37 PHE QD 1 58 PHE HA 6.000 . 6.000 4.835 4.413 5.194 . 0 0 "[ . 1 . 2]" 1
863 1 37 PHE QD 1 58 PHE HB2 4.200 . 4.200 2.919 2.668 3.096 . 0 0 "[ . 1 . 2]" 1
864 1 37 PHE QD 1 58 PHE HB3 4.200 . 4.200 2.997 2.705 3.411 . 0 0 "[ . 1 . 2]" 1
865 1 37 PHE QD 1 66 ALA MB 3.200 . 3.200 2.536 2.208 2.946 . 0 0 "[ . 1 . 2]" 1
866 1 37 PHE QD 1 67 THR H 5.500 . 5.500 4.466 4.165 4.705 . 0 0 "[ . 1 . 2]" 1
867 1 37 PHE QD 1 68 LEU H 5.500 . 5.500 4.036 3.554 4.314 . 0 0 "[ . 1 . 2]" 1
868 1 37 PHE QE 1 66 ALA MB 4.200 . 4.200 2.700 2.368 3.333 . 0 0 "[ . 1 . 2]" 1
869 1 38 ALA H 1 38 ALA MB 3.260 . 3.260 2.272 2.228 2.334 . 0 0 "[ . 1 . 2]" 1
870 1 38 ALA H 1 39 ALA H 4.840 . 4.840 4.564 4.470 4.613 . 0 0 "[ . 1 . 2]" 1
871 1 38 ALA H 1 66 ALA MB 4.920 . 4.920 3.860 3.523 4.264 . 0 0 "[ . 1 . 2]" 1
872 1 38 ALA H 1 67 THR HA 3.570 . 3.570 2.606 2.003 3.078 . 0 0 "[ . 1 . 2]" 1
873 1 38 ALA H 1 67 THR MG 5.070 . 5.070 3.928 3.596 4.754 . 0 0 "[ . 1 . 2]" 1
874 1 38 ALA H 1 68 LEU H 4.610 . 4.610 3.095 2.543 3.327 . 0 0 "[ . 1 . 2]" 1
875 1 38 ALA H 1 68 LEU HA 5.500 . 5.500 5.384 4.960 5.570 0.070 5 0 "[ . 1 . 2]" 1
876 1 38 ALA H 1 68 LEU QD 5.470 . 5.470 4.939 4.609 5.058 . 0 0 "[ . 1 . 2]" 1
877 1 38 ALA HA 1 39 ALA H 2.840 . 2.840 2.199 2.154 2.271 . 0 0 "[ . 1 . 2]" 1
878 1 38 ALA HA 1 39 ALA MB 4.590 . 4.590 3.967 3.929 4.044 . 0 0 "[ . 1 . 2]" 1
879 1 38 ALA HA 1 68 LEU H 5.030 . 5.030 4.557 4.463 4.691 . 0 0 "[ . 1 . 2]" 1
880 1 38 ALA MB 1 39 ALA H 3.600 . 3.600 2.900 2.680 3.062 . 0 0 "[ . 1 . 2]" 1
881 1 38 ALA MB 1 39 ALA MB 5.450 . 5.450 4.255 3.971 4.425 . 0 0 "[ . 1 . 2]" 1
882 1 38 ALA MB 1 67 THR HB 5.390 . 5.390 4.327 2.453 5.080 . 0 0 "[ . 1 . 2]" 1
883 1 38 ALA MB 1 67 THR MG 3.850 . 3.850 2.175 1.677 3.745 . 0 0 "[ . 1 . 2]" 1
884 1 38 ALA MB 1 68 LEU H 4.480 . 4.480 3.347 3.094 3.663 . 0 0 "[ . 1 . 2]" 1
885 1 39 ALA H 1 39 ALA MB 3.150 . 3.150 2.278 2.222 2.356 . 0 0 "[ . 1 . 2]" 1
886 1 39 ALA H 1 44 LEU QD 5.340 . 5.340 3.888 3.444 4.133 . 0 0 "[ . 1 . 2]" 1
887 1 39 ALA H 1 68 LEU H 5.500 . 5.500 4.907 4.724 5.045 . 0 0 "[ . 1 . 2]" 1
888 1 39 ALA H 1 68 LEU QD 5.310 . 5.310 5.110 4.611 5.210 . 0 0 "[ . 1 . 2]" 1
889 1 39 ALA HA 1 44 LEU QD 4.040 . 4.040 2.871 2.074 3.696 . 0 0 "[ . 1 . 2]" 1
890 1 39 ALA HA 1 68 LEU H 5.090 . 5.090 3.914 3.304 4.499 . 0 0 "[ . 1 . 2]" 1
891 1 39 ALA HA 1 68 LEU HB3 3.630 . 3.630 2.889 2.493 4.398 0.768 5 1 "[ + 1 . 2]" 1
892 1 39 ALA HA 1 68 LEU QD 4.030 . 4.030 3.408 2.994 3.946 . 0 0 "[ . 1 . 2]" 1
893 1 39 ALA MB 1 42 ALA H 5.500 . 5.500 5.372 5.156 5.532 0.032 11 0 "[ . 1 . 2]" 1
894 1 39 ALA MB 1 43 GLY H 4.800 . 4.800 3.947 3.617 4.178 . 0 0 "[ . 1 . 2]" 1
895 1 39 ALA MB 1 43 GLY HA2 4.560 . 4.560 3.475 2.701 3.662 . 0 0 "[ . 1 . 2]" 1
896 1 39 ALA MB 1 43 GLY HA3 4.870 . 4.870 4.878 4.110 4.989 0.119 15 0 "[ . 1 . 2]" 1
897 1 39 ALA MB 1 44 LEU H 4.220 . 4.220 4.158 3.819 4.290 0.070 1 0 "[ . 1 . 2]" 1
898 1 39 ALA MB 1 44 LEU HB3 5.500 . 5.500 4.827 4.613 5.035 . 0 0 "[ . 1 . 2]" 1
899 1 39 ALA MB 1 44 LEU QD 4.000 . 4.000 1.778 1.656 2.027 . 0 0 "[ . 1 . 2]" 1
900 1 39 ALA MB 1 44 LEU HG 4.560 . 4.560 3.408 2.183 3.742 . 0 0 "[ . 1 . 2]" 1
901 1 39 ALA MB 1 68 LEU QD 4.830 . 4.830 3.680 2.637 4.212 . 0 0 "[ . 1 . 2]" 1
902 1 40 PRO HA 1 43 GLY H 5.500 . 5.500 4.831 4.642 4.999 . 0 0 "[ . 1 . 2]" 1
903 1 40 PRO HB2 1 41 PRO QD 3.350 . 3.350 2.810 2.234 3.547 0.197 3 0 "[ . 1 . 2]" 1
904 1 40 PRO HB2 1 42 ALA H 3.230 . 3.230 2.409 2.258 2.688 . 0 0 "[ . 1 . 2]" 1
905 1 40 PRO HB2 1 42 ALA MB 4.310 . 4.310 2.904 2.523 3.305 . 0 0 "[ . 1 . 2]" 1
906 1 40 PRO HB3 1 41 PRO QD 3.610 . 3.610 2.797 2.284 3.150 . 0 0 "[ . 1 . 2]" 1
907 1 40 PRO HB3 1 42 ALA H 5.500 . 5.500 3.819 3.262 4.179 . 0 0 "[ . 1 . 2]" 1
908 1 40 PRO QD 1 43 GLY H 5.500 . 5.500 4.032 3.620 4.438 . 0 0 "[ . 1 . 2]" 1
909 1 40 PRO HG2 1 43 GLY H 5.450 . 5.450 3.770 2.651 5.129 . 0 0 "[ . 1 . 2]" 1
910 1 41 PRO HB2 1 42 ALA H 3.840 . 3.840 3.398 3.078 3.849 0.009 17 0 "[ . 1 . 2]" 1
911 1 41 PRO HB2 1 42 ALA HA 5.160 . 5.160 4.159 4.041 4.342 . 0 0 "[ . 1 . 2]" 1
912 1 41 PRO QD 1 42 ALA H 3.840 . 3.840 2.893 2.728 3.107 . 0 0 "[ . 1 . 2]" 1
913 1 41 PRO QD 1 42 ALA MB 5.500 . 5.500 4.050 3.831 4.244 . 0 0 "[ . 1 . 2]" 1
914 1 41 PRO HG2 1 42 ALA H 4.410 . 4.410 3.797 2.829 4.444 0.034 10 0 "[ . 1 . 2]" 1
915 1 41 PRO HG3 1 42 ALA H 5.290 . 5.290 4.586 4.268 4.739 . 0 0 "[ . 1 . 2]" 1
916 1 42 ALA H 1 43 GLY H 4.030 . 4.030 2.491 2.268 2.777 . 0 0 "[ . 1 . 2]" 1
917 1 42 ALA H 1 43 GLY HA2 5.240 . 5.240 4.804 4.570 5.023 . 0 0 "[ . 1 . 2]" 1
918 1 43 GLY H 1 44 LEU H 4.310 . 4.310 4.425 4.373 4.521 0.211 2 0 "[ . 1 . 2]" 1
919 1 43 GLY H 1 44 LEU QD 5.500 . 5.500 3.990 3.762 4.722 . 0 0 "[ . 1 . 2]" 1
920 1 43 GLY HA2 1 44 LEU H 3.020 . 3.020 2.507 2.397 2.768 . 0 0 "[ . 1 . 2]" 1
921 1 43 GLY HA3 1 44 LEU H 2.970 . 2.970 2.571 2.315 2.684 . 0 0 "[ . 1 . 2]" 1
922 1 44 LEU H 1 44 LEU HB2 2.730 . 2.730 2.493 2.350 2.557 . 0 0 "[ . 1 . 2]" 1
923 1 44 LEU H 1 44 LEU HB3 3.740 . 3.740 3.668 3.594 3.714 . 0 0 "[ . 1 . 2]" 1
924 1 44 LEU H 1 44 LEU QD . . 4.220 2.213 1.911 3.406 . 0 0 "[ . 1 . 2]" 1
925 1 44 LEU H 1 44 LEU HG 4.350 . 4.350 4.031 2.740 4.253 . 0 0 "[ . 1 . 2]" 1
926 1 44 LEU H 1 45 PRO QD 5.100 . 5.100 4.330 4.241 4.403 . 0 0 "[ . 1 . 2]" 1
927 1 44 LEU HA 1 44 LEU QD 3.310 . 3.310 1.966 1.873 2.081 . 0 0 "[ . 1 . 2]" 1
928 1 44 LEU HA 1 45 PRO HB3 5.480 . 5.480 5.059 4.788 5.464 . 0 0 "[ . 1 . 2]" 1
929 1 44 LEU HA 1 45 PRO QD 2.910 . 2.910 1.919 1.774 2.095 . 0 0 "[ . 1 . 2]" 1
930 1 44 LEU HA 1 45 PRO HG3 4.790 . 4.790 4.202 3.906 4.479 . 0 0 "[ . 1 . 2]" 1
931 1 44 LEU HA 1 71 VAL MG1 5.140 . 5.140 4.432 4.077 4.709 . 0 0 "[ . 1 . 2]" 1
932 1 44 LEU HB2 1 45 PRO QD . . 4.050 3.804 3.635 3.916 . 0 0 "[ . 1 . 2]" 1
933 1 44 LEU HB3 1 45 PRO QD . . 3.630 2.505 2.183 2.710 . 0 0 "[ . 1 . 2]" 1
934 1 44 LEU HB3 1 48 LEU MD2 4.340 . 4.340 2.717 2.037 4.229 . 0 0 "[ . 1 . 2]" 1
935 1 44 LEU QD 1 45 PRO QD . . 3.480 2.631 2.221 2.820 . 0 0 "[ . 1 . 2]" 1
936 1 45 PRO HA 1 46 GLN H 2.610 . 2.610 2.645 2.469 2.715 0.105 2 0 "[ . 1 . 2]" 1
937 1 45 PRO HA 1 46 GLN HE21 5.500 . 5.500 4.231 3.363 4.616 . 0 0 "[ . 1 . 2]" 1
938 1 45 PRO HA 1 46 GLN HE22 5.500 . 5.500 4.028 3.372 5.561 0.061 4 0 "[ . 1 . 2]" 1
939 1 45 PRO HA 1 46 GLN QG 4.910 . 4.910 4.549 3.355 5.163 0.253 10 0 "[ . 1 . 2]" 1
940 1 45 PRO HA 1 48 LEU MD2 5.500 . 5.500 4.425 3.997 4.697 . 0 0 "[ . 1 . 2]" 1
941 1 45 PRO HB2 1 46 GLN H 3.630 . 3.630 2.076 1.817 2.830 . 0 0 "[ . 1 . 2]" 1
942 1 45 PRO HB2 1 47 GLY H 5.500 . 5.500 5.512 4.507 5.616 0.116 16 0 "[ . 1 . 2]" 1
943 1 45 PRO HB2 1 48 LEU MD2 4.260 . 4.260 3.366 2.048 4.179 . 0 0 "[ . 1 . 2]" 1
944 1 45 PRO HB3 1 46 GLN H 4.130 . 4.130 2.981 2.482 3.361 . 0 0 "[ . 1 . 2]" 1
945 1 45 PRO HB3 1 46 GLN HE21 5.120 . 5.120 4.196 3.463 5.572 0.452 4 0 "[ . 1 . 2]" 1
946 1 45 PRO HB3 1 48 LEU MD2 5.390 . 5.390 4.243 3.452 4.668 . 0 0 "[ . 1 . 2]" 1
947 1 45 PRO QD 1 46 GLN H 5.500 . 5.500 4.609 4.423 4.787 . 0 0 "[ . 1 . 2]" 1
948 1 45 PRO QD 1 48 LEU MD1 5.400 . 5.400 3.260 1.860 3.773 . 0 0 "[ . 1 . 2]" 1
949 1 45 PRO QD 1 48 LEU MD2 . . 4.210 1.791 1.563 2.294 . 0 0 "[ . 1 . 2]" 1
950 1 45 PRO QD 1 71 VAL H 5.500 . 5.500 4.700 4.309 5.105 . 0 0 "[ . 1 . 2]" 1
951 1 45 PRO QD 1 71 VAL MG1 . . 4.220 2.780 2.400 3.101 . 0 0 "[ . 1 . 2]" 1
952 1 45 PRO HG2 1 48 LEU MD2 4.090 . 4.090 2.289 1.869 3.018 . 0 0 "[ . 1 . 2]" 1
953 1 45 PRO HG2 1 71 VAL H 5.500 . 5.500 4.695 3.391 5.800 0.300 14 0 "[ . 1 . 2]" 1
954 1 45 PRO HG2 1 72 ALA HA 5.500 . 5.500 5.284 4.581 5.656 0.156 14 0 "[ . 1 . 2]" 1
955 1 45 PRO HG3 1 48 LEU MD2 4.350 . 4.350 3.495 3.187 4.026 . 0 0 "[ . 1 . 2]" 1
956 1 46 GLN H 1 46 GLN HB2 3.690 . 3.690 3.284 2.528 3.752 0.062 11 0 "[ . 1 . 2]" 1
957 1 46 GLN H 1 46 GLN HB3 3.020 . 3.020 3.284 2.887 3.762 0.742 5 8 "[ ***+- *1 * *]" 1
958 1 46 GLN H 1 46 GLN HE21 5.500 . 5.500 2.146 1.766 3.593 . 0 0 "[ . 1 . 2]" 1
959 1 46 GLN H 1 46 GLN HE22 5.500 . 5.500 2.877 2.366 5.142 . 0 0 "[ . 1 . 2]" 1
960 1 46 GLN H 1 46 GLN QG 3.390 . 3.390 2.971 1.975 3.414 0.024 2 0 "[ . 1 . 2]" 1
961 1 46 GLN H 1 47 GLY H 5.500 . 5.500 4.464 4.135 4.548 . 0 0 "[ . 1 . 2]" 1
962 1 46 GLN H 1 48 LEU H 5.380 . 5.380 5.308 4.883 5.455 0.075 4 0 "[ . 1 . 2]" 1
963 1 46 GLN H 1 48 LEU MD2 5.500 . 5.500 4.399 3.716 4.934 . 0 0 "[ . 1 . 2]" 1
964 1 46 GLN HA 1 46 GLN HE21 5.500 . 5.500 3.975 1.265 4.332 . 0 0 "[ . 1 . 2]" 1
965 1 46 GLN HA 1 46 GLN HE22 5.500 . 5.500 5.081 2.956 5.472 . 0 0 "[ . 1 . 2]" 1
966 1 46 GLN HA 1 46 GLN QG 3.500 . 3.500 3.107 2.326 3.517 0.017 8 0 "[ . 1 . 2]" 1
967 1 46 GLN HA 1 47 GLY H 2.920 . 2.920 2.334 2.060 2.580 . 0 0 "[ . 1 . 2]" 1
968 1 46 GLN HA 1 48 LEU H 4.020 . 4.020 3.253 2.854 3.544 . 0 0 "[ . 1 . 2]" 1
969 1 46 GLN HB2 1 47 GLY H 3.780 . 3.780 3.050 2.273 4.222 0.442 4 0 "[ . 1 . 2]" 1
970 1 46 GLN HB2 1 47 GLY HA3 5.330 . 5.330 4.504 4.269 4.836 . 0 0 "[ . 1 . 2]" 1
971 1 46 GLN HB3 1 46 GLN HE22 5.500 . 5.500 4.494 3.826 5.163 . 0 0 "[ . 1 . 2]" 1
972 1 46 GLN HB3 1 47 GLY H 4.170 . 4.170 3.377 2.067 4.059 . 0 0 "[ . 1 . 2]" 1
973 1 46 GLN HE21 1 47 GLY HA3 5.500 . 5.500 4.910 4.147 5.690 0.190 6 0 "[ . 1 . 2]" 1
974 1 46 GLN QG 1 47 GLY H 4.600 . 4.600 3.842 3.269 4.733 0.133 4 0 "[ . 1 . 2]" 1
975 1 46 GLN QG 1 48 LEU MD1 5.500 . 5.500 5.230 4.499 5.551 0.051 17 0 "[ . 1 . 2]" 1
976 1 47 GLY H 1 48 LEU H 3.380 . 3.380 2.150 1.740 2.357 . 0 0 "[ . 1 . 2]" 1
977 1 47 GLY H 1 48 LEU HA 5.500 . 5.500 4.845 4.488 4.996 . 0 0 "[ . 1 . 2]" 1
978 1 47 GLY H 1 48 LEU HB3 5.500 . 5.500 5.270 4.598 5.544 0.044 20 0 "[ . 1 . 2]" 1
979 1 47 GLY H 1 48 LEU MD1 5.500 . 5.500 3.625 3.066 4.557 . 0 0 "[ . 1 . 2]" 1
980 1 47 GLY H 1 48 LEU MD2 5.500 . 5.500 4.954 4.372 5.227 . 0 0 "[ . 1 . 2]" 1
981 1 47 GLY H 1 48 LEU HG 5.500 . 5.500 3.574 2.824 3.882 . 0 0 "[ . 1 . 2]" 1
982 1 47 GLY H 1 49 LYS QE 5.500 . 5.500 4.423 3.681 5.239 . 0 0 "[ . 1 . 2]" 1
983 1 47 GLY HA3 1 49 LYS H 5.500 . 5.500 5.101 4.975 5.275 . 0 0 "[ . 1 . 2]" 1
984 1 48 LEU H 1 48 LEU HB2 3.540 . 3.540 3.674 3.639 3.727 0.187 20 0 "[ . 1 . 2]" 1
985 1 48 LEU H 1 48 LEU HB3 3.340 . 3.340 3.417 3.356 3.447 0.107 3 0 "[ . 1 . 2]" 1
986 1 48 LEU H 1 48 LEU MD1 4.110 . 4.110 2.300 1.889 2.934 . 0 0 "[ . 1 . 2]" 1
987 1 48 LEU H 1 48 LEU MD2 4.130 . 4.130 3.849 3.692 3.936 . 0 0 "[ . 1 . 2]" 1
988 1 48 LEU H 1 48 LEU HG 3.160 . 3.160 2.268 2.027 2.420 . 0 0 "[ . 1 . 2]" 1
989 1 48 LEU H 1 49 LYS H 4.770 . 4.770 2.874 2.523 3.063 . 0 0 "[ . 1 . 2]" 1
990 1 48 LEU HA 1 48 LEU MD2 4.210 . 4.210 4.062 3.963 4.114 . 0 0 "[ . 1 . 2]" 1
991 1 48 LEU HA 1 48 LEU HG 4.150 . 4.150 3.642 3.556 3.703 . 0 0 "[ . 1 . 2]" 1
992 1 48 LEU HA 1 49 LYS H 2.740 . 2.740 2.688 2.579 2.751 0.011 11 0 "[ . 1 . 2]" 1
993 1 48 LEU HB2 1 49 LYS H 4.410 . 4.410 4.368 4.337 4.386 . 0 0 "[ . 1 . 2]" 1
994 1 48 LEU HB2 1 49 LYS HA 5.290 . 5.290 4.669 4.572 4.753 . 0 0 "[ . 1 . 2]" 1
995 1 48 LEU HB2 1 71 VAL MG2 3.490 . 3.490 3.571 3.241 3.650 0.160 8 0 "[ . 1 . 2]" 1
996 1 48 LEU HB3 1 71 VAL MG2 3.660 . 3.660 3.099 2.622 3.676 0.016 20 0 "[ . 1 . 2]" 1
997 1 48 LEU MD1 1 49 LYS H 3.950 . 3.950 3.754 3.587 3.986 0.036 6 0 "[ . 1 . 2]" 1
998 1 48 LEU MD1 1 49 LYS HB2 5.500 . 5.500 4.947 4.643 5.369 . 0 0 "[ . 1 . 2]" 1
999 1 48 LEU MD2 1 49 LYS H 5.500 . 5.500 5.526 5.406 5.584 0.084 8 0 "[ . 1 . 2]" 1
1000 1 48 LEU MD2 1 71 VAL HB 4.720 . 4.720 3.951 3.571 4.326 . 0 0 "[ . 1 . 2]" 1
1001 1 48 LEU MD2 1 71 VAL MG1 2.400 . 2.400 1.739 1.477 1.903 . 0 0 "[ . 1 . 2]" 1
1002 1 49 LYS H 1 49 LYS HB3 3.370 . 3.370 2.971 2.491 3.658 0.288 3 0 "[ . 1 . 2]" 1
1003 1 49 LYS H 1 49 LYS QE 5.500 . 5.500 4.162 3.377 5.278 . 0 0 "[ . 1 . 2]" 1
1004 1 49 LYS H 1 49 LYS HG2 3.770 . 3.770 2.671 2.091 3.921 0.151 17 0 "[ . 1 . 2]" 1
1005 1 49 LYS H 1 49 LYS HG3 4.140 . 4.140 3.217 1.756 3.963 . 0 0 "[ . 1 . 2]" 1
1006 1 49 LYS H 1 52 ASP H 4.810 . 4.810 3.986 3.779 4.234 . 0 0 "[ . 1 . 2]" 1
1007 1 49 LYS H 1 52 ASP HB2 4.080 . 4.080 2.630 2.375 2.914 . 0 0 "[ . 1 . 2]" 1
1008 1 49 LYS H 1 52 ASP HB3 4.540 . 4.540 3.786 3.511 4.153 . 0 0 "[ . 1 . 2]" 1
1009 1 49 LYS HA 1 49 LYS QD 4.800 . 4.800 3.950 2.027 4.528 . 0 0 "[ . 1 . 2]" 1
1010 1 49 LYS HA 1 50 ALA H 2.720 . 2.720 2.440 2.326 2.640 . 0 0 "[ . 1 . 2]" 1
1011 1 49 LYS HA 1 50 ALA MB 4.690 . 4.690 4.213 4.125 4.352 . 0 0 "[ . 1 . 2]" 1
1012 1 49 LYS HB2 1 49 LYS QE 4.950 . 4.950 3.478 2.552 4.483 . 0 0 "[ . 1 . 2]" 1
1013 1 49 LYS HB2 1 50 ALA H 3.260 . 3.260 2.708 1.985 3.838 0.578 17 2 "[ . 1 - + 2]" 1
1014 1 49 LYS HB3 1 50 ALA H 3.870 . 3.870 3.420 2.160 3.972 0.102 2 0 "[ . 1 . 2]" 1
1015 1 49 LYS QD 1 50 ALA MB 4.290 . 4.290 4.236 3.024 4.485 0.195 7 0 "[ . 1 . 2]" 1
1016 1 49 LYS QE 1 49 LYS HG3 3.890 . 3.890 3.099 2.336 3.521 . 0 0 "[ . 1 . 2]" 1
1017 1 49 LYS QE 1 50 ALA H 5.500 . 5.500 5.214 4.687 5.508 0.008 2 0 "[ . 1 . 2]" 1
1018 1 49 LYS HG2 1 50 ALA H 4.720 . 4.720 4.374 3.580 4.747 0.027 13 0 "[ . 1 . 2]" 1
1019 1 49 LYS HG3 1 50 ALA H 5.500 . 5.500 3.746 2.741 4.932 . 0 0 "[ . 1 . 2]" 1
1020 1 50 ALA H 1 50 ALA MB 2.980 . 2.980 2.213 2.188 2.226 . 0 0 "[ . 1 . 2]" 1
1021 1 50 ALA H 1 52 ASP H 5.120 . 5.120 4.651 4.581 4.778 . 0 0 "[ . 1 . 2]" 1
1022 1 50 ALA HA 1 51 GLY H 2.690 . 2.690 2.146 2.121 2.164 . 0 0 "[ . 1 . 2]" 1
1023 1 50 ALA MB 1 51 GLY H 3.800 . 3.800 3.345 3.243 3.440 . 0 0 "[ . 1 . 2]" 1
1024 1 50 ALA MB 1 52 ASP H 4.660 . 4.660 4.585 4.503 4.671 0.011 16 0 "[ . 1 . 2]" 1
1025 1 51 GLY H 1 52 ASP H 3.340 . 3.340 2.407 2.226 2.539 . 0 0 "[ . 1 . 2]" 1
1026 1 51 GLY H 1 52 ASP HB2 5.350 . 5.350 4.477 4.351 4.621 . 0 0 "[ . 1 . 2]" 1
1027 1 51 GLY HA2 1 52 ASP H 3.520 . 3.520 3.430 3.336 3.489 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ASP H 1 52 ASP HB2 3.100 . 3.100 2.326 2.264 2.390 . 0 0 "[ . 1 . 2]" 1
1029 1 52 ASP H 1 52 ASP HB3 3.640 . 3.640 3.581 3.530 3.617 . 0 0 "[ . 1 . 2]" 1
1030 1 52 ASP H 1 53 ARG H 4.560 . 4.560 4.575 4.552 4.595 0.035 16 0 "[ . 1 . 2]" 1
1031 1 52 ASP H 1 54 VAL MG2 5.500 . 5.500 5.577 5.496 5.624 0.124 7 0 "[ . 1 . 2]" 1
1032 1 52 ASP HA 1 53 ARG H 2.710 . 2.710 2.243 2.171 2.302 . 0 0 "[ . 1 . 2]" 1
1033 1 52 ASP HB2 1 53 ARG H 4.190 . 4.190 3.992 3.816 4.197 0.007 9 0 "[ . 1 . 2]" 1
1034 1 52 ASP HB2 1 54 VAL H 5.500 . 5.500 5.521 4.906 5.629 0.129 5 0 "[ . 1 . 2]" 1
1035 1 52 ASP HB2 1 54 VAL MG1 4.460 . 4.460 3.302 2.979 3.603 . 0 0 "[ . 1 . 2]" 1
1036 1 52 ASP HB2 1 54 VAL MG2 4.530 . 4.530 4.454 4.133 4.585 0.055 14 0 "[ . 1 . 2]" 1
1037 1 52 ASP HB3 1 53 ARG H 3.660 . 3.660 2.747 2.483 3.092 . 0 0 "[ . 1 . 2]" 1
1038 1 52 ASP HB3 1 53 ARG HB2 5.150 . 5.150 5.211 4.759 5.693 0.543 7 1 "[ . + 1 . 2]" 1
1039 1 52 ASP HB3 1 54 VAL H 5.500 . 5.500 4.801 4.163 5.119 . 0 0 "[ . 1 . 2]" 1
1040 1 52 ASP HB3 1 54 VAL MG1 4.100 . 4.100 2.620 2.174 2.937 . 0 0 "[ . 1 . 2]" 1
1041 1 53 ARG H 1 53 ARG HB2 3.040 . 3.040 2.632 2.221 3.110 0.070 7 0 "[ . 1 . 2]" 1
1042 1 53 ARG H 1 53 ARG HB3 3.420 . 3.420 2.823 2.379 3.505 0.085 9 0 "[ . 1 . 2]" 1
1043 1 53 ARG H 1 53 ARG QD 4.600 . 4.600 4.512 4.085 4.713 0.113 17 0 "[ . 1 . 2]" 1
1044 1 53 ARG H 1 53 ARG QG 4.460 . 4.460 3.955 3.074 4.110 . 0 0 "[ . 1 . 2]" 1
1045 1 53 ARG H 1 54 VAL HA 5.500 . 5.500 4.903 4.580 5.092 . 0 0 "[ . 1 . 2]" 1
1046 1 53 ARG H 1 54 VAL MG1 5.030 . 5.030 3.889 3.628 4.094 . 0 0 "[ . 1 . 2]" 1
1047 1 53 ARG H 1 54 VAL MG2 5.500 . 5.500 4.964 4.762 5.111 . 0 0 "[ . 1 . 2]" 1
1048 1 53 ARG H 1 75 VAL HA 5.500 . 5.500 4.924 4.074 5.532 0.032 12 0 "[ . 1 . 2]" 1
1049 1 53 ARG H 1 75 VAL QG 5.500 . 5.500 5.462 5.065 5.612 0.112 4 0 "[ . 1 . 2]" 1
1050 1 53 ARG HA 1 53 ARG QD 4.240 . 4.240 3.559 2.075 4.095 . 0 0 "[ . 1 . 2]" 1
1051 1 53 ARG HA 1 54 VAL H 2.840 . 2.840 2.154 2.115 2.178 . 0 0 "[ . 1 . 2]" 1
1052 1 53 ARG HA 1 76 GLN H 5.500 . 5.500 5.547 5.125 5.682 0.182 20 0 "[ . 1 . 2]" 1
1053 1 53 ARG HB2 1 53 ARG QD 3.810 . 3.810 2.484 2.221 3.271 . 0 0 "[ . 1 . 2]" 1
1054 1 53 ARG HB3 1 53 ARG QD 3.440 . 3.440 2.623 2.271 3.538 0.098 10 0 "[ . 1 . 2]" 1
1055 1 53 ARG HB3 1 53 ARG HE 5.500 . 5.500 4.346 3.607 4.725 . 0 0 "[ . 1 . 2]" 1
1056 1 53 ARG QD 1 74 GLN HE22 5.500 . 5.500 4.262 2.323 5.480 . 0 0 "[ . 1 . 2]" 1
1057 1 53 ARG QD 1 76 GLN H 5.500 . 5.500 3.023 1.989 4.686 . 0 0 "[ . 1 . 2]" 1
1058 1 53 ARG QD 1 76 GLN HA 5.500 . 5.500 2.429 1.361 5.568 0.068 19 0 "[ . 1 . 2]" 1
1059 1 53 ARG QG 1 54 VAL H 4.610 . 4.610 3.125 2.704 3.834 . 0 0 "[ . 1 . 2]" 1
1060 1 54 VAL H 1 54 VAL HB 3.740 . 3.740 3.760 3.668 3.800 0.060 3 0 "[ . 1 . 2]" 1
1061 1 54 VAL H 1 54 VAL MG1 4.140 . 4.140 3.027 2.775 3.131 . 0 0 "[ . 1 . 2]" 1
1062 1 54 VAL H 1 54 VAL MG2 3.350 . 3.350 2.061 1.855 2.128 . 0 0 "[ . 1 . 2]" 1
1063 1 54 VAL H 1 55 ALA MB 5.500 . 5.500 5.305 5.225 5.544 0.044 16 0 "[ . 1 . 2]" 1
1064 1 54 VAL H 1 56 PHE QD 5.500 . 5.500 4.382 4.144 4.563 . 0 0 "[ . 1 . 2]" 1
1065 1 54 VAL H 1 56 PHE QE 5.500 . 5.500 4.274 3.862 4.725 . 0 0 "[ . 1 . 2]" 1
1066 1 54 VAL H 1 74 GLN HE21 5.500 . 5.500 3.588 2.926 4.511 . 0 0 "[ . 1 . 2]" 1
1067 1 54 VAL H 1 74 GLN HE22 5.500 . 5.500 4.807 3.858 5.527 0.027 2 0 "[ . 1 . 2]" 1
1068 1 54 VAL H 1 74 GLN QG 5.500 . 5.500 3.949 3.086 5.231 . 0 0 "[ . 1 . 2]" 1
1069 1 54 VAL HA 1 54 VAL MG1 3.380 . 3.380 2.273 2.236 2.302 . 0 0 "[ . 1 . 2]" 1
1070 1 54 VAL HA 1 55 ALA H 2.830 . 2.830 2.279 2.201 2.406 . 0 0 "[ . 1 . 2]" 1
1071 1 54 VAL HA 1 55 ALA MB 4.870 . 4.870 3.959 3.910 3.989 . 0 0 "[ . 1 . 2]" 1
1072 1 54 VAL HA 1 72 ALA H 5.160 . 5.160 4.900 4.404 5.205 0.045 1 0 "[ . 1 . 2]" 1
1073 1 54 VAL HA 1 73 PRO QB 5.360 . 5.360 4.653 4.262 4.992 . 0 0 "[ . 1 . 2]" 1
1074 1 54 VAL HA 1 74 GLN H 3.140 . 3.140 1.924 1.503 2.293 . 0 0 "[ . 1 . 2]" 1
1075 1 54 VAL HA 1 74 GLN QB 5.220 . 5.220 2.864 1.830 3.475 . 0 0 "[ . 1 . 2]" 1
1076 1 54 VAL HA 1 74 GLN QG 4.660 . 4.660 2.778 1.906 4.041 . 0 0 "[ . 1 . 2]" 1
1077 1 54 VAL HB 1 55 ALA H 3.190 . 3.190 2.643 2.324 2.895 . 0 0 "[ . 1 . 2]" 1
1078 1 54 VAL HB 1 56 PHE HB2 5.500 . 5.500 5.593 5.360 6.085 0.585 20 2 "[- . 1 . +]" 1
1079 1 54 VAL HB 1 71 VAL MG1 3.880 . 3.880 4.062 3.994 4.112 0.232 8 0 "[ . 1 . 2]" 1
1080 1 54 VAL HB 1 71 VAL MG2 3.720 . 3.720 1.895 1.819 2.016 . 0 0 "[ . 1 . 2]" 1
1081 1 54 VAL HB 1 72 ALA H 3.980 . 3.980 3.552 3.101 3.900 . 0 0 "[ . 1 . 2]" 1
1082 1 54 VAL MG1 1 55 ALA H 4.180 . 4.180 3.551 3.401 3.627 . 0 0 "[ . 1 . 2]" 1
1083 1 54 VAL MG1 1 72 ALA H 4.850 . 4.850 4.506 4.099 4.868 0.018 15 0 "[ . 1 . 2]" 1
1084 1 54 VAL MG1 1 73 PRO QB 4.500 . 4.500 3.344 3.015 3.912 . 0 0 "[ . 1 . 2]" 1
1085 1 54 VAL MG1 1 73 PRO HD2 5.500 . 5.500 4.942 4.549 5.423 . 0 0 "[ . 1 . 2]" 1
1086 1 54 VAL MG1 1 74 GLN H 4.150 . 4.150 2.835 2.468 3.320 . 0 0 "[ . 1 . 2]" 1
1087 1 54 VAL MG2 1 55 ALA H 4.560 . 4.560 3.749 3.537 3.914 . 0 0 "[ . 1 . 2]" 1
1088 1 54 VAL MG2 1 56 PHE H 5.250 . 5.250 4.448 3.989 4.916 . 0 0 "[ . 1 . 2]" 1
1089 1 54 VAL MG2 1 72 ALA H 5.260 . 5.260 4.739 4.427 5.039 . 0 0 "[ . 1 . 2]" 1
1090 1 55 ALA H 1 55 ALA MB 3.320 . 3.320 2.398 2.320 2.426 . 0 0 "[ . 1 . 2]" 1
1091 1 55 ALA H 1 56 PHE QD 5.500 . 5.500 4.129 3.884 4.359 . 0 0 "[ . 1 . 2]" 1
1092 1 55 ALA H 1 71 VAL MG2 4.860 . 4.860 3.390 3.081 3.775 . 0 0 "[ . 1 . 2]" 1
1093 1 55 ALA H 1 74 GLN H 4.360 . 4.360 3.245 2.695 3.754 . 0 0 "[ . 1 . 2]" 1
1094 1 55 ALA H 1 74 GLN HA 5.010 . 5.010 4.611 3.846 5.007 . 0 0 "[ . 1 . 2]" 1
1095 1 55 ALA H 1 74 GLN QB 4.600 . 4.600 2.747 2.186 2.969 . 0 0 "[ . 1 . 2]" 1
1096 1 55 ALA H 1 74 GLN HE21 5.500 . 5.500 3.789 2.921 4.432 . 0 0 "[ . 1 . 2]" 1
1097 1 55 ALA H 1 74 GLN QG 4.660 . 4.660 3.211 2.572 4.310 . 0 0 "[ . 1 . 2]" 1
1098 1 55 ALA HA 1 56 PHE H 2.780 . 2.780 2.186 2.159 2.255 . 0 0 "[ . 1 . 2]" 1
1099 1 55 ALA HA 1 56 PHE QD 4.200 . 4.200 3.292 2.962 3.443 . 0 0 "[ . 1 . 2]" 1
1100 1 55 ALA HA 1 56 PHE QE 6.000 . 6.000 4.466 4.103 4.661 . 0 0 "[ . 1 . 2]" 1
1101 1 55 ALA HA 1 74 GLN HE21 5.500 . 5.500 3.292 2.547 3.844 . 0 0 "[ . 1 . 2]" 1
1102 1 55 ALA HA 1 74 GLN HE22 5.500 . 5.500 3.878 3.091 4.467 . 0 0 "[ . 1 . 2]" 1
1103 1 55 ALA MB 1 56 PHE H 3.660 . 3.660 3.193 3.023 3.315 . 0 0 "[ . 1 . 2]" 1
1104 1 55 ALA MB 1 71 VAL MG2 5.500 . 5.500 4.388 4.107 4.555 . 0 0 "[ . 1 . 2]" 1
1105 1 55 ALA MB 1 72 ALA H 5.500 . 5.500 3.573 3.410 3.733 . 0 0 "[ . 1 . 2]" 1
1106 1 55 ALA MB 1 74 GLN H 4.580 . 4.580 4.347 3.916 4.618 0.038 9 0 "[ . 1 . 2]" 1
1107 1 55 ALA MB 1 74 GLN HA 4.630 . 4.630 4.197 3.431 4.567 . 0 0 "[ . 1 . 2]" 1
1108 1 55 ALA MB 1 74 GLN QB 5.500 . 5.500 2.477 2.039 3.117 . 0 0 "[ . 1 . 2]" 1
1109 1 55 ALA MB 1 74 GLN HE21 5.230 . 5.230 3.026 1.702 3.736 . 0 0 "[ . 1 . 2]" 1
1110 1 55 ALA MB 1 74 GLN HE22 5.450 . 5.450 3.481 2.610 4.034 . 0 0 "[ . 1 . 2]" 1
1111 1 55 ALA MB 1 74 GLN QG 4.820 . 4.820 2.844 1.707 4.067 . 0 0 "[ . 1 . 2]" 1
1112 1 55 ALA MB 1 75 VAL H 5.070 . 5.070 5.099 4.734 5.201 0.131 17 0 "[ . 1 . 2]" 1
1113 1 56 PHE H 1 56 PHE QD 3.520 . 3.520 2.827 2.528 3.110 . 0 0 "[ . 1 . 2]" 1
1114 1 56 PHE H 1 56 PHE QE 5.080 . 5.080 4.159 3.975 4.411 . 0 0 "[ . 1 . 2]" 1
1115 1 56 PHE H 1 57 SER HA 5.500 . 5.500 4.796 4.568 4.903 . 0 0 "[ . 1 . 2]" 1
1116 1 56 PHE H 1 71 VAL MG2 5.500 . 5.500 4.021 3.650 4.183 . 0 0 "[ . 1 . 2]" 1
1117 1 56 PHE HA 1 56 PHE HB2 3.020 . 3.020 2.511 2.473 2.572 . 0 0 "[ . 1 . 2]" 1
1118 1 56 PHE HA 1 57 SER H 3.020 . 3.020 2.448 2.339 2.595 . 0 0 "[ . 1 . 2]" 1
1119 1 56 PHE HA 1 68 LEU QD 4.550 . 4.550 3.896 3.704 4.435 . 0 0 "[ . 1 . 2]" 1
1120 1 56 PHE HA 1 70 THR H 4.880 . 4.880 4.654 4.366 4.836 . 0 0 "[ . 1 . 2]" 1
1121 1 56 PHE HA 1 71 VAL H 5.100 . 5.100 4.646 4.392 4.772 . 0 0 "[ . 1 . 2]" 1
1122 1 56 PHE HA 1 71 VAL HA 3.390 . 3.390 2.116 1.966 2.334 . 0 0 "[ . 1 . 2]" 1
1123 1 56 PHE HA 1 71 VAL HB 5.050 . 5.050 3.835 3.412 4.173 . 0 0 "[ . 1 . 2]" 1
1124 1 56 PHE HA 1 71 VAL MG2 4.220 . 4.220 3.284 3.005 3.579 . 0 0 "[ . 1 . 2]" 1
1125 1 56 PHE HA 1 72 ALA H 4.140 . 4.140 3.217 3.043 3.516 . 0 0 "[ . 1 . 2]" 1
1126 1 56 PHE HA 1 72 ALA MB 4.690 . 4.690 4.578 4.365 4.716 0.026 12 0 "[ . 1 . 2]" 1
1127 1 56 PHE HB2 1 56 PHE QD 3.200 . 3.200 2.363 2.305 2.407 . 0 0 "[ . 1 . 2]" 1
1128 1 56 PHE HB2 1 57 SER H 3.440 . 3.440 2.226 2.012 2.405 . 0 0 "[ . 1 . 2]" 1
1129 1 56 PHE HB2 1 68 LEU QD 3.880 . 3.880 1.941 1.746 2.376 . 0 0 "[ . 1 . 2]" 1
1130 1 56 PHE HB2 1 69 VAL H 5.500 . 5.500 4.470 4.077 4.744 . 0 0 "[ . 1 . 2]" 1
1131 1 56 PHE HB2 1 70 THR H 5.500 . 5.500 4.058 3.771 4.253 . 0 0 "[ . 1 . 2]" 1
1132 1 56 PHE HB2 1 71 VAL HA 4.570 . 4.570 3.127 2.932 3.420 . 0 0 "[ . 1 . 2]" 1
1133 1 56 PHE HB2 1 71 VAL HB 4.610 . 4.610 2.890 2.605 3.190 . 0 0 "[ . 1 . 2]" 1
1134 1 56 PHE HB2 1 71 VAL MG2 4.190 . 4.190 3.194 2.911 3.506 . 0 0 "[ . 1 . 2]" 1
1135 1 56 PHE HB2 1 72 ALA H 5.140 . 5.140 4.922 4.757 5.233 0.093 1 0 "[ . 1 . 2]" 1
1136 1 56 PHE HB3 1 56 PHE QD 3.200 . 3.200 2.422 2.366 2.493 . 0 0 "[ . 1 . 2]" 1
1137 1 56 PHE HB3 1 57 SER H 3.770 . 3.770 3.550 3.432 3.653 . 0 0 "[ . 1 . 2]" 1
1138 1 56 PHE HB3 1 70 THR H 5.500 . 5.500 5.346 4.892 5.558 0.058 16 0 "[ . 1 . 2]" 1
1139 1 56 PHE HB3 1 71 VAL H 5.500 . 5.500 4.811 4.347 4.995 . 0 0 "[ . 1 . 2]" 1
1140 1 56 PHE HB3 1 71 VAL HA 4.320 . 4.320 2.386 2.074 2.559 . 0 0 "[ . 1 . 2]" 1
1141 1 56 PHE HB3 1 71 VAL MG2 3.880 . 3.880 1.651 1.378 1.947 . 0 0 "[ . 1 . 2]" 1
1142 1 56 PHE QD 1 57 SER H 4.200 . 4.200 3.381 3.077 3.801 . 0 0 "[ . 1 . 2]" 1
1143 1 56 PHE QD 1 57 SER HA 6.000 . 6.000 3.530 3.143 3.881 . 0 0 "[ . 1 . 2]" 1
1144 1 56 PHE QD 1 58 PHE HA 6.000 . 6.000 4.734 4.354 5.185 . 0 0 "[ . 1 . 2]" 1
1145 1 56 PHE QD 1 58 PHE HB2 6.000 . 6.000 4.835 4.453 5.208 . 0 0 "[ . 1 . 2]" 1
1146 1 56 PHE QD 1 58 PHE HB3 4.200 . 4.200 3.105 2.723 3.474 . 0 0 "[ . 1 . 2]" 1
1147 1 56 PHE QD 1 68 LEU HA 6.000 . 6.000 4.356 4.007 4.695 . 0 0 "[ . 1 . 2]" 1
1148 1 56 PHE QD 1 68 LEU QD 3.200 . 3.200 2.504 2.344 2.881 . 0 0 "[ . 1 . 2]" 1
1149 1 56 PHE QD 1 69 VAL H 5.500 . 5.500 4.736 4.353 5.061 . 0 0 "[ . 1 . 2]" 1
1150 1 56 PHE QD 1 70 THR H 5.500 . 5.500 5.232 4.918 5.515 0.015 1 0 "[ . 1 . 2]" 1
1151 1 56 PHE QD 1 71 VAL MG2 6.000 . 6.000 2.534 2.062 2.731 . 0 0 "[ . 1 . 2]" 1
1152 1 56 PHE QD 1 72 ALA H 5.500 . 5.500 4.742 4.311 4.989 . 0 0 "[ . 1 . 2]" 1
1153 1 56 PHE QD 1 74 GLN HE21 5.500 . 5.500 5.222 4.950 5.523 0.023 2 0 "[ . 1 . 2]" 1
1154 1 56 PHE QE 1 68 LEU QD 6.000 . 6.000 3.700 3.212 4.070 . 0 0 "[ . 1 . 2]" 1
1155 1 56 PHE QE 1 74 GLN HE21 5.500 . 5.500 5.471 5.187 5.800 0.300 17 0 "[ . 1 . 2]" 1
1156 1 57 SER H 1 58 PHE HA 5.500 . 5.500 4.793 4.675 4.945 . 0 0 "[ . 1 . 2]" 1
1157 1 57 SER H 1 58 PHE HB3 5.500 . 5.500 4.899 4.720 5.150 . 0 0 "[ . 1 . 2]" 1
1158 1 57 SER H 1 58 PHE QD 5.500 . 5.500 4.916 4.592 5.289 . 0 0 "[ . 1 . 2]" 1
1159 1 57 SER H 1 68 LEU HA 5.500 . 5.500 5.052 4.734 5.323 . 0 0 "[ . 1 . 2]" 1
1160 1 57 SER H 1 68 LEU QD 4.600 . 4.600 3.063 2.835 3.860 . 0 0 "[ . 1 . 2]" 1
1161 1 57 SER H 1 69 VAL HB 4.820 . 4.820 4.357 3.780 5.208 0.388 12 0 "[ . 1 . 2]" 1
1162 1 57 SER H 1 70 THR H 3.630 . 3.630 2.808 2.607 2.955 . 0 0 "[ . 1 . 2]" 1
1163 1 57 SER H 1 70 THR HB 5.500 . 5.500 4.785 4.266 5.109 . 0 0 "[ . 1 . 2]" 1
1164 1 57 SER H 1 70 THR MG 5.110 . 5.110 5.119 4.840 5.195 0.085 7 0 "[ . 1 . 2]" 1
1165 1 57 SER H 1 71 VAL HA 4.230 . 4.230 3.659 3.456 4.046 . 0 0 "[ . 1 . 2]" 1
1166 1 57 SER H 1 71 VAL HB 5.150 . 5.150 4.365 4.121 4.735 . 0 0 "[ . 1 . 2]" 1
1167 1 57 SER H 1 71 VAL MG2 5.240 . 5.240 4.683 4.411 5.014 . 0 0 "[ . 1 . 2]" 1
1168 1 57 SER HA 1 58 PHE QD 4.200 . 4.200 3.126 2.892 3.390 . 0 0 "[ . 1 . 2]" 1
1169 1 57 SER HA 1 69 VAL MG2 5.370 . 5.370 4.649 3.569 5.140 . 0 0 "[ . 1 . 2]" 1
1170 1 57 SER HA 1 70 THR H 5.500 . 5.500 4.958 4.757 5.163 . 0 0 "[ . 1 . 2]" 1
1171 1 57 SER HB2 1 58 PHE H 5.500 . 5.500 2.964 2.106 4.204 . 0 0 "[ . 1 . 2]" 1
1172 1 57 SER HB2 1 69 VAL H 5.500 . 5.500 4.990 4.250 5.787 0.287 14 0 "[ . 1 . 2]" 1
1173 1 57 SER HB2 1 69 VAL MG2 4.570 . 4.570 3.614 1.822 5.368 0.798 14 1 "[ . 1 +. 2]" 1
1174 1 57 SER HB2 1 70 THR H 4.930 . 4.930 4.425 3.502 4.825 . 0 0 "[ . 1 . 2]" 1
1175 1 57 SER HB3 1 69 VAL MG2 5.400 . 5.400 4.588 1.751 5.426 0.026 16 0 "[ . 1 . 2]" 1
1176 1 57 SER HB3 1 70 THR H 4.950 . 4.950 4.630 3.366 5.155 0.205 20 0 "[ . 1 . 2]" 1
1177 1 58 PHE H 1 58 PHE QD 4.270 . 4.270 2.625 2.208 3.003 . 0 0 "[ . 1 . 2]" 1
1178 1 58 PHE H 1 58 PHE QE 5.500 . 5.500 4.225 4.003 4.611 . 0 0 "[ . 1 . 2]" 1
1179 1 58 PHE H 1 68 LEU QD 5.500 . 5.500 4.579 4.197 5.066 . 0 0 "[ . 1 . 2]" 1
1180 1 58 PHE H 1 69 VAL HB 5.500 . 5.500 4.974 4.558 5.627 0.127 11 0 "[ . 1 . 2]" 1
1181 1 58 PHE HA 1 58 PHE QD 4.200 . 4.200 3.731 3.711 3.742 . 0 0 "[ . 1 . 2]" 1
1182 1 58 PHE HA 1 59 ARG H 3.130 . 3.130 2.310 2.185 2.415 . 0 0 "[ . 1 . 2]" 1
1183 1 58 PHE HA 1 67 THR H 5.100 . 5.100 4.740 4.411 5.095 . 0 0 "[ . 1 . 2]" 1
1184 1 58 PHE HA 1 68 LEU H 5.500 . 5.500 4.886 4.773 4.988 . 0 0 "[ . 1 . 2]" 1
1185 1 58 PHE HA 1 68 LEU HA 3.430 . 3.430 2.681 2.483 2.967 . 0 0 "[ . 1 . 2]" 1
1186 1 58 PHE HA 1 68 LEU QD 4.720 . 4.720 3.463 3.114 3.913 . 0 0 "[ . 1 . 2]" 1
1187 1 58 PHE HA 1 69 VAL H 3.510 . 3.510 2.486 2.216 2.730 . 0 0 "[ . 1 . 2]" 1
1188 1 58 PHE HA 1 69 VAL HB 4.700 . 4.700 3.820 3.471 4.567 . 0 0 "[ . 1 . 2]" 1
1189 1 58 PHE HA 1 69 VAL MG2 3.580 . 3.580 1.991 1.834 2.306 . 0 0 "[ . 1 . 2]" 1
1190 1 58 PHE HB2 1 58 PHE QD 3.200 . 3.200 2.328 2.281 2.403 . 0 0 "[ . 1 . 2]" 1
1191 1 58 PHE HB2 1 59 ARG H 3.460 . 3.460 2.674 2.488 2.925 . 0 0 "[ . 1 . 2]" 1
1192 1 58 PHE HB2 1 67 THR H 4.410 . 4.410 3.298 2.926 3.535 . 0 0 "[ . 1 . 2]" 1
1193 1 58 PHE HB2 1 68 LEU HA 4.330 . 4.330 3.050 2.642 3.672 . 0 0 "[ . 1 . 2]" 1
1194 1 58 PHE HB2 1 69 VAL H 4.790 . 4.790 4.301 4.057 4.622 . 0 0 "[ . 1 . 2]" 1
1195 1 58 PHE HB2 1 69 VAL MG2 3.890 . 3.890 4.013 3.906 4.421 0.531 11 1 "[ . 1+ . 2]" 1
1196 1 58 PHE HB3 1 58 PHE QD 3.200 . 3.200 2.465 2.382 2.554 . 0 0 "[ . 1 . 2]" 1
1197 1 58 PHE HB3 1 68 LEU H 5.500 . 5.500 4.900 4.551 5.383 . 0 0 "[ . 1 . 2]" 1
1198 1 58 PHE HB3 1 68 LEU HA 3.970 . 3.970 2.720 2.346 3.213 . 0 0 "[ . 1 . 2]" 1
1199 1 58 PHE HB3 1 68 LEU QD 3.970 . 3.970 2.899 2.152 3.733 . 0 0 "[ . 1 . 2]" 1
1200 1 58 PHE HB3 1 69 VAL H 4.610 . 4.610 3.774 3.546 4.147 . 0 0 "[ . 1 . 2]" 1
1201 1 58 PHE HB3 1 69 VAL MG2 5.500 . 5.500 4.096 3.626 4.315 . 0 0 "[ . 1 . 2]" 1
1202 1 58 PHE QD 1 59 ARG HA 6.000 . 6.000 4.073 3.673 4.459 . 0 0 "[ . 1 . 2]" 1
1203 1 58 PHE QD 1 60 LEU H 5.340 . 5.340 4.332 3.882 4.784 . 0 0 "[ . 1 . 2]" 1
1204 1 58 PHE QD 1 60 LEU HA 6.000 . 6.000 3.852 3.287 4.185 . 0 0 "[ . 1 . 2]" 1
1205 1 58 PHE QD 1 60 LEU QD 4.200 . 4.200 2.978 1.699 3.642 0.101 14 0 "[ . 1 . 2]" 1
1206 1 58 PHE QD 1 60 LEU HG 4.200 . 4.200 3.136 2.219 4.275 0.075 15 0 "[ . 1 . 2]" 1
1207 1 58 PHE QD 1 66 ALA HA 4.200 . 4.200 2.852 2.335 3.321 . 0 0 "[ . 1 . 2]" 1
1208 1 58 PHE QD 1 66 ALA MB 4.200 . 4.200 2.868 2.321 3.334 . 0 0 "[ . 1 . 2]" 1
1209 1 58 PHE QD 1 67 THR H 4.720 . 4.720 3.401 2.766 3.982 . 0 0 "[ . 1 . 2]" 1
1210 1 58 PHE QD 1 68 LEU HA 6.000 . 6.000 4.648 4.337 5.030 . 0 0 "[ . 1 . 2]" 1
1211 1 58 PHE QD 1 69 VAL H 5.500 . 5.500 5.261 5.055 5.520 0.020 15 0 "[ . 1 . 2]" 1
1212 1 58 PHE QE 1 60 LEU H 5.500 . 5.500 4.892 4.564 5.345 . 0 0 "[ . 1 . 2]" 1
1213 1 58 PHE QE 1 60 LEU HA 6.000 . 6.000 4.459 3.859 5.019 . 0 0 "[ . 1 . 2]" 1
1214 1 58 PHE QE 1 60 LEU QD 3.200 . 3.200 2.292 1.760 3.021 0.040 15 0 "[ . 1 . 2]" 1
1215 1 58 PHE QE 1 60 LEU HG 3.200 . 3.200 2.155 1.776 3.151 0.024 6 0 "[ . 1 . 2]" 1
1216 1 58 PHE QE 1 66 ALA MB 6.000 . 6.000 3.515 2.883 4.153 . 0 0 "[ . 1 . 2]" 1
1217 1 58 PHE HZ 1 60 LEU QD 6.000 . 6.000 3.642 3.167 4.393 . 0 0 "[ . 1 . 2]" 1
1218 1 59 ARG H 1 59 ARG HB2 4.020 . 4.020 2.603 2.432 2.838 . 0 0 "[ . 1 . 2]" 1
1219 1 59 ARG H 1 59 ARG HB3 3.760 . 3.760 3.615 2.688 3.770 0.010 19 0 "[ . 1 . 2]" 1
1220 1 59 ARG H 1 59 ARG QG 4.410 . 4.410 2.858 2.315 4.079 . 0 0 "[ . 1 . 2]" 1
1221 1 59 ARG H 1 60 LEU HA 5.500 . 5.500 4.969 4.847 5.043 . 0 0 "[ . 1 . 2]" 1
1222 1 59 ARG H 1 66 ALA HA 5.030 . 5.030 4.614 4.313 4.979 . 0 0 "[ . 1 . 2]" 1
1223 1 59 ARG H 1 67 THR HB 4.580 . 4.580 3.366 3.067 4.672 0.092 5 0 "[ . 1 . 2]" 1
1224 1 59 ARG H 1 67 THR MG 5.500 . 5.500 4.438 2.247 4.742 . 0 0 "[ . 1 . 2]" 1
1225 1 59 ARG H 1 68 LEU HA 4.530 . 4.530 4.022 3.749 4.472 . 0 0 "[ . 1 . 2]" 1
1226 1 59 ARG H 1 69 VAL MG2 4.110 . 4.110 2.838 2.252 4.125 0.015 12 0 "[ . 1 . 2]" 1
1227 1 59 ARG HA 1 60 LEU H 2.950 . 2.950 2.194 2.115 2.334 . 0 0 "[ . 1 . 2]" 1
1228 1 59 ARG HA 1 67 THR H 5.500 . 5.500 4.902 4.712 5.084 . 0 0 "[ . 1 . 2]" 1
1229 1 59 ARG HB2 1 69 VAL MG2 5.400 . 5.400 3.635 1.981 5.837 0.437 12 0 "[ . 1 . 2]" 1
1230 1 59 ARG HB3 1 69 VAL MG2 5.500 . 5.500 4.442 2.800 6.173 0.673 11 3 "[ . - 1+* . 2]" 1
1231 1 59 ARG QD 1 60 LEU H 5.310 . 5.310 5.056 4.676 5.403 0.093 18 0 "[ . 1 . 2]" 1
1232 1 59 ARG QD 1 69 VAL MG2 4.440 . 4.440 3.258 2.333 4.931 0.491 11 0 "[ . 1 . 2]" 1
1233 1 59 ARG QG 1 67 THR HB 4.990 . 4.990 4.520 3.394 5.044 0.054 5 0 "[ . 1 . 2]" 1
1234 1 59 ARG QG 1 69 VAL MG2 3.660 . 3.660 2.366 1.596 3.713 0.053 15 0 "[ . 1 . 2]" 1
1235 1 60 LEU H 1 60 LEU HB2 3.230 . 3.230 2.315 2.237 2.523 . 0 0 "[ . 1 . 2]" 1
1236 1 60 LEU H 1 60 LEU HB3 3.800 . 3.800 3.536 3.443 3.656 . 0 0 "[ . 1 . 2]" 1
1237 1 60 LEU H 1 60 LEU QD . . 4.740 3.491 2.644 3.775 . 0 0 "[ . 1 . 2]" 1
1238 1 60 LEU H 1 60 LEU HG 4.480 . 4.480 3.438 3.163 4.146 . 0 0 "[ . 1 . 2]" 1
1239 1 60 LEU H 1 61 ASP H 5.500 . 5.500 4.348 4.131 4.536 . 0 0 "[ . 1 . 2]" 1
1240 1 60 LEU HA 1 60 LEU QD 3.550 . 3.550 1.859 1.742 1.962 . 0 0 "[ . 1 . 2]" 1
1241 1 60 LEU HA 1 61 ASP H 2.830 . 2.830 2.123 2.080 2.215 . 0 0 "[ . 1 . 2]" 1
1242 1 60 LEU HA 1 65 MET H 4.520 . 4.520 4.312 4.023 4.553 0.033 14 0 "[ . 1 . 2]" 1
1243 1 60 LEU HA 1 66 ALA H 5.400 . 5.400 5.103 4.936 5.312 . 0 0 "[ . 1 . 2]" 1
1244 1 60 LEU HA 1 66 ALA HA 3.470 . 3.470 3.008 2.693 3.229 . 0 0 "[ . 1 . 2]" 1
1245 1 60 LEU HA 1 66 ALA MB 4.780 . 4.780 4.278 3.910 4.499 . 0 0 "[ . 1 . 2]" 1
1246 1 60 LEU HA 1 67 THR H 4.030 . 4.030 3.669 3.365 4.028 . 0 0 "[ . 1 . 2]" 1
1247 1 60 LEU HB2 1 61 ASP H 4.390 . 4.390 4.391 4.173 4.512 0.122 1 0 "[ . 1 . 2]" 1
1248 1 60 LEU HB3 1 61 ASP H 3.900 . 3.900 3.452 2.995 3.747 . 0 0 "[ . 1 . 2]" 1
1249 1 60 LEU HB3 1 64 GLY H 5.020 . 5.020 4.746 4.394 5.074 0.054 14 0 "[ . 1 . 2]" 1
1250 1 60 LEU HB3 1 64 GLY HA2 5.230 . 5.230 4.140 3.380 4.748 . 0 0 "[ . 1 . 2]" 1
1251 1 60 LEU HB3 1 65 MET H 5.500 . 5.500 4.828 4.556 5.257 . 0 0 "[ . 1 . 2]" 1
1252 1 60 LEU QD 1 61 ASP H 4.460 . 4.460 3.051 2.824 3.226 . 0 0 "[ . 1 . 2]" 1
1253 1 60 LEU QD 1 63 HIS H 5.500 . 5.500 5.358 5.274 5.416 . 0 0 "[ . 1 . 2]" 1
1254 1 60 LEU QD 1 64 GLY H 5.500 . 5.500 3.969 3.771 4.148 . 0 0 "[ . 1 . 2]" 1
1255 1 60 LEU QD 1 64 GLY HA2 4.740 . 4.740 2.690 2.156 3.101 . 0 0 "[ . 1 . 2]" 1
1256 1 60 LEU QD 1 64 GLY HA3 5.390 . 5.390 3.939 3.327 4.361 . 0 0 "[ . 1 . 2]" 1
1257 1 60 LEU QD 1 65 MET H 5.500 . 5.500 3.465 3.268 3.648 . 0 0 "[ . 1 . 2]" 1
1258 1 60 LEU QD 1 66 ALA H 4.530 . 4.530 3.861 3.459 4.206 . 0 0 "[ . 1 . 2]" 1
1259 1 60 LEU QD 1 66 ALA HA 3.940 . 3.940 2.302 1.629 2.807 . 0 0 "[ . 1 . 2]" 1
1260 1 60 LEU QD 1 66 ALA MB 3.900 . 3.900 2.574 2.178 2.938 . 0 0 "[ . 1 . 2]" 1
1261 1 60 LEU QD 1 67 THR H 4.850 . 4.850 3.783 2.822 4.331 . 0 0 "[ . 1 . 2]" 1
1262 1 61 ASP H 1 61 ASP HB2 3.440 . 3.440 2.653 2.382 3.749 0.309 4 0 "[ . 1 . 2]" 1
1263 1 61 ASP H 1 61 ASP HB3 3.860 . 3.860 3.516 2.718 3.688 . 0 0 "[ . 1 . 2]" 1
1264 1 61 ASP H 1 62 PRO HA 5.500 . 5.500 5.572 5.489 5.680 0.180 5 0 "[ . 1 . 2]" 1
1265 1 61 ASP H 1 62 PRO HD2 5.440 . 5.440 5.209 5.081 5.291 . 0 0 "[ . 1 . 2]" 1
1266 1 61 ASP H 1 62 PRO HD3 5.010 . 5.010 4.698 4.649 4.781 . 0 0 "[ . 1 . 2]" 1
1267 1 61 ASP H 1 64 GLY HA2 5.500 . 5.500 4.614 4.241 5.014 . 0 0 "[ . 1 . 2]" 1
1268 1 61 ASP H 1 65 MET HA 5.500 . 5.500 4.716 4.453 5.129 . 0 0 "[ . 1 . 2]" 1
1269 1 61 ASP H 1 65 MET QB 4.540 . 4.540 3.126 2.606 4.594 0.054 4 0 "[ . 1 . 2]" 1
1270 1 61 ASP H 1 65 MET QG 5.500 . 5.500 4.528 2.971 5.119 . 0 0 "[ . 1 . 2]" 1
1271 1 61 ASP H 1 66 ALA HA 4.150 . 4.150 4.103 3.800 4.268 0.118 14 0 "[ . 1 . 2]" 1
1272 1 61 ASP H 1 66 ALA MB 5.500 . 5.500 5.222 4.932 5.468 . 0 0 "[ . 1 . 2]" 1
1273 1 61 ASP HA 1 62 PRO HD2 3.370 . 3.370 3.323 3.135 3.393 0.023 5 0 "[ . 1 . 2]" 1
1274 1 61 ASP HA 1 62 PRO HD3 3.210 . 3.210 2.074 1.996 2.246 . 0 0 "[ . 1 . 2]" 1
1275 1 61 ASP HA 1 62 PRO QG 4.560 . 4.560 3.727 3.640 3.911 . 0 0 "[ . 1 . 2]" 1
1276 1 61 ASP HA 1 63 HIS H 4.900 . 4.900 4.134 3.975 4.456 . 0 0 "[ . 1 . 2]" 1
1277 1 61 ASP HA 1 64 GLY H 5.500 . 5.500 4.832 4.668 5.003 . 0 0 "[ . 1 . 2]" 1
1278 1 61 ASP HA 1 65 MET H 5.500 . 5.500 4.842 4.606 5.351 . 0 0 "[ . 1 . 2]" 1
1279 1 61 ASP HB2 1 62 PRO HD2 3.540 . 3.540 3.343 1.997 3.637 0.097 13 0 "[ . 1 . 2]" 1
1280 1 61 ASP HB2 1 62 PRO HD3 3.670 . 3.670 3.583 2.329 3.835 0.165 18 0 "[ . 1 . 2]" 1
1281 1 61 ASP HB2 1 63 HIS H 4.970 . 4.970 3.089 2.773 3.550 . 0 0 "[ . 1 . 2]" 1
1282 1 61 ASP HB2 1 64 GLY H 4.930 . 4.930 3.955 3.621 4.587 . 0 0 "[ . 1 . 2]" 1
1283 1 61 ASP HB2 1 65 MET H 5.020 . 5.020 3.108 2.566 4.820 . 0 0 "[ . 1 . 2]" 1
1284 1 61 ASP HB2 1 65 MET QB 5.410 . 5.410 2.423 1.332 5.789 0.379 4 0 "[ . 1 . 2]" 1
1285 1 61 ASP HB3 1 62 PRO HD2 3.200 . 3.200 2.322 1.965 3.737 0.537 7 2 "[ -. + 1 . 2]" 1
1286 1 61 ASP HB3 1 62 PRO HD3 3.420 . 3.420 2.531 2.270 3.667 0.247 7 0 "[ . 1 . 2]" 1
1287 1 61 ASP HB3 1 64 GLY H 4.990 . 4.990 4.611 4.266 5.017 0.027 16 0 "[ . 1 . 2]" 1
1288 1 62 PRO HA 1 64 GLY H 4.400 . 4.400 3.697 3.448 4.091 . 0 0 "[ . 1 . 2]" 1
1289 1 62 PRO HB2 1 63 HIS H 4.210 . 4.210 3.474 3.078 3.668 . 0 0 "[ . 1 . 2]" 1
1290 1 62 PRO HB2 1 63 HIS HD2 6.000 . 6.000 3.971 2.821 5.837 . 0 0 "[ . 1 . 2]" 1
1291 1 62 PRO HD2 1 63 HIS H 4.260 . 4.260 2.829 2.631 3.064 . 0 0 "[ . 1 . 2]" 1
1292 1 62 PRO HD2 1 63 HIS HD2 6.000 . 6.000 4.017 2.376 6.137 0.137 4 0 "[ . 1 . 2]" 1
1293 1 62 PRO HD2 1 64 GLY H 5.500 . 5.500 4.811 4.668 5.013 . 0 0 "[ . 1 . 2]" 1
1294 1 62 PRO HD3 1 63 HIS H 4.890 . 4.890 3.844 3.677 4.068 . 0 0 "[ . 1 . 2]" 1
1295 1 62 PRO QG 1 63 HIS H 4.790 . 4.790 4.125 3.968 4.253 . 0 0 "[ . 1 . 2]" 1
1296 1 62 PRO QG 1 64 GLY H 5.500 . 5.500 5.527 5.403 5.639 0.139 7 0 "[ . 1 . 2]" 1
1297 1 63 HIS H 1 63 HIS HB2 3.890 . 3.890 2.340 2.223 2.550 . 0 0 "[ . 1 . 2]" 1
1298 1 63 HIS H 1 63 HIS HB3 3.350 . 3.350 3.376 2.685 3.645 0.295 16 0 "[ . 1 . 2]" 1
1299 1 63 HIS H 1 63 HIS HD2 5.130 . 5.130 3.649 2.647 5.055 . 0 0 "[ . 1 . 2]" 1
1300 1 63 HIS H 1 64 GLY HA2 4.970 . 4.970 4.548 4.296 4.797 . 0 0 "[ . 1 . 2]" 1
1301 1 63 HIS H 1 64 GLY HA3 5.180 . 5.180 4.908 4.736 5.102 . 0 0 "[ . 1 . 2]" 1
1302 1 63 HIS H 1 65 MET QB 5.380 . 5.380 4.232 3.701 5.304 . 0 0 "[ . 1 . 2]" 1
1303 1 63 HIS H 1 65 MET QG 5.500 . 5.500 3.795 3.121 4.416 . 0 0 "[ . 1 . 2]" 1
1304 1 63 HIS HA 1 65 MET H 5.500 . 5.500 4.819 4.573 5.089 . 0 0 "[ . 1 . 2]" 1
1305 1 63 HIS HB2 1 64 GLY H 3.830 . 3.830 3.527 2.972 3.981 0.151 9 0 "[ . 1 . 2]" 1
1306 1 63 HIS HB2 1 65 MET H 4.940 . 4.940 3.672 2.928 4.662 . 0 0 "[ . 1 . 2]" 1
1307 1 63 HIS HB2 1 65 MET QG 5.110 . 5.110 2.629 1.747 4.556 . 0 0 "[ . 1 . 2]" 1
1308 1 63 HIS HB3 1 64 GLY H 3.900 . 3.900 3.800 2.896 4.029 0.129 19 0 "[ . 1 . 2]" 1
1309 1 63 HIS HB3 1 64 GLY HA3 5.360 . 5.360 4.642 4.472 4.900 . 0 0 "[ . 1 . 2]" 1
1310 1 63 HIS HB3 1 65 MET H 4.280 . 4.280 3.967 3.123 4.447 0.167 10 0 "[ . 1 . 2]" 1
1311 1 63 HIS HB3 1 65 MET QG 5.170 . 5.170 2.653 1.704 3.390 . 0 0 "[ . 1 . 2]" 1
1312 1 64 GLY H 1 65 MET HA 5.500 . 5.500 4.869 4.774 5.021 . 0 0 "[ . 1 . 2]" 1
1313 1 64 GLY H 1 65 MET QB 4.950 . 4.950 4.231 4.073 4.448 . 0 0 "[ . 1 . 2]" 1
1314 1 64 GLY H 1 65 MET QG 5.500 . 5.500 3.829 3.426 4.095 . 0 0 "[ . 1 . 2]" 1
1315 1 64 GLY HA2 1 65 MET H 3.290 . 3.290 2.936 2.836 3.068 . 0 0 "[ . 1 . 2]" 1
1316 1 65 MET H 1 65 MET QB 2.990 . 2.990 2.432 2.319 2.728 . 0 0 "[ . 1 . 2]" 1
1317 1 65 MET H 1 65 MET ME 5.400 . 5.400 4.531 3.532 4.854 . 0 0 "[ . 1 . 2]" 1
1318 1 65 MET H 1 65 MET QG 4.140 . 4.140 2.571 2.331 2.849 . 0 0 "[ . 1 . 2]" 1
1319 1 65 MET H 1 66 ALA H 4.940 . 4.940 4.513 4.325 4.568 . 0 0 "[ . 1 . 2]" 1
1320 1 65 MET H 1 66 ALA HA 5.500 . 5.500 5.112 4.989 5.239 . 0 0 "[ . 1 . 2]" 1
1321 1 65 MET HA 1 65 MET ME 4.940 . 4.940 3.542 1.459 4.474 . 0 0 "[ . 1 . 2]" 1
1322 1 65 MET HA 1 66 ALA H 2.760 . 2.760 2.233 2.095 2.363 . 0 0 "[ . 1 . 2]" 1
1323 1 65 MET HA 1 66 ALA HA 5.030 . 5.030 4.352 4.314 4.387 . 0 0 "[ . 1 . 2]" 1
1324 1 65 MET HA 1 66 ALA MB 4.590 . 4.590 3.876 3.750 3.998 . 0 0 "[ . 1 . 2]" 1
1325 1 65 MET QB 1 66 ALA H 3.650 . 3.650 2.839 2.511 3.435 . 0 0 "[ . 1 . 2]" 1
1326 1 65 MET QB 1 67 THR H 5.500 . 5.500 4.471 4.154 4.987 . 0 0 "[ . 1 . 2]" 1
1327 1 65 MET ME 1 66 ALA H 5.450 . 5.450 4.265 2.734 5.432 . 0 0 "[ . 1 . 2]" 1
1328 1 65 MET QG 1 66 ALA H 4.770 . 4.770 4.280 3.682 4.568 . 0 0 "[ . 1 . 2]" 1
1329 1 66 ALA H 1 66 ALA MB 3.340 . 3.340 2.429 2.317 2.476 . 0 0 "[ . 1 . 2]" 1
1330 1 66 ALA H 1 67 THR MG 5.310 . 5.310 5.476 5.340 5.536 0.226 19 0 "[ . 1 . 2]" 1
1331 1 66 ALA HA 1 67 THR H 2.850 . 2.850 2.146 2.125 2.172 . 0 0 "[ . 1 . 2]" 1
1332 1 66 ALA HA 1 67 THR HB 5.180 . 5.180 4.939 4.614 5.089 . 0 0 "[ . 1 . 2]" 1
1333 1 66 ALA MB 1 67 THR H 3.980 . 3.980 3.414 3.207 3.481 . 0 0 "[ . 1 . 2]" 1
1334 1 66 ALA MB 1 68 LEU H 5.500 . 5.500 4.995 4.658 5.255 . 0 0 "[ . 1 . 2]" 1
1335 1 67 THR H 1 67 THR HB 3.390 . 3.390 2.849 2.722 3.089 . 0 0 "[ . 1 . 2]" 1
1336 1 67 THR H 1 67 THR MG 4.570 . 4.570 3.738 2.114 3.885 . 0 0 "[ . 1 . 2]" 1
1337 1 67 THR H 1 68 LEU HA 5.500 . 5.500 4.999 4.824 5.139 . 0 0 "[ . 1 . 2]" 1
1338 1 67 THR HA 1 68 LEU H 3.310 . 3.310 2.125 2.081 2.169 . 0 0 "[ . 1 . 2]" 1
1339 1 67 THR HB 1 68 LEU H 4.870 . 4.870 4.027 3.710 4.232 . 0 0 "[ . 1 . 2]" 1
1340 1 67 THR MG 1 68 LEU H 3.910 . 3.910 2.865 2.610 3.986 0.076 5 0 "[ . 1 . 2]" 1
1341 1 67 THR MG 1 68 LEU HA 5.500 . 5.500 4.549 4.355 4.769 . 0 0 "[ . 1 . 2]" 1
1342 1 67 THR MG 1 68 LEU QD 5.500 . 5.500 4.926 4.749 5.046 . 0 0 "[ . 1 . 2]" 1
1343 1 68 LEU H 1 68 LEU HB2 3.900 . 3.900 2.409 2.090 2.586 . 0 0 "[ . 1 . 2]" 1
1344 1 68 LEU H 1 68 LEU HB3 3.100 . 3.100 2.633 2.381 3.588 0.488 5 0 "[ . 1 . 2]" 1
1345 1 68 LEU H 1 68 LEU QD 4.240 . 4.240 3.656 3.261 3.736 . 0 0 "[ . 1 . 2]" 1
1346 1 68 LEU H 1 69 VAL H 5.260 . 5.260 4.540 4.413 4.605 . 0 0 "[ . 1 . 2]" 1
1347 1 68 LEU H 1 69 VAL MG2 5.500 . 5.500 5.006 4.690 5.697 0.197 12 0 "[ . 1 . 2]" 1
1348 1 68 LEU HA 1 68 LEU QD 3.560 . 3.560 2.032 1.895 2.246 . 0 0 "[ . 1 . 2]" 1
1349 1 68 LEU HA 1 69 VAL H 3.110 . 3.110 2.177 2.120 2.239 . 0 0 "[ . 1 . 2]" 1
1350 1 68 LEU HA 1 69 VAL MG2 5.040 . 5.040 3.435 3.332 3.528 . 0 0 "[ . 1 . 2]" 1
1351 1 68 LEU HB3 1 69 VAL H 4.320 . 4.320 3.985 2.955 4.265 . 0 0 "[ . 1 . 2]" 1
1352 1 68 LEU HB3 1 70 THR H 5.500 . 5.500 5.462 4.065 5.622 0.122 20 0 "[ . 1 . 2]" 1
1353 1 68 LEU QD 1 69 VAL H 4.450 . 4.450 2.355 1.864 3.142 . 0 0 "[ . 1 . 2]" 1
1354 1 68 LEU QD 1 70 THR H 5.210 . 5.210 3.198 2.505 4.064 . 0 0 "[ . 1 . 2]" 1
1355 1 68 LEU QD 1 71 VAL H 5.500 . 5.500 3.997 3.348 4.927 . 0 0 "[ . 1 . 2]" 1
1356 1 68 LEU QD 1 71 VAL HB . . 4.230 2.201 1.924 2.863 . 0 0 "[ . 1 . 2]" 1
1357 1 69 VAL H 1 69 VAL HB 3.510 . 3.510 2.822 2.543 3.662 0.152 8 0 "[ . 1 . 2]" 1
1358 1 69 VAL H 1 69 VAL MG2 3.880 . 3.880 2.226 1.854 2.534 . 0 0 "[ . 1 . 2]" 1
1359 1 69 VAL H 1 70 THR H 3.090 . 3.090 2.402 2.198 2.645 . 0 0 "[ . 1 . 2]" 1
1360 1 69 VAL HA 1 69 VAL MG2 3.110 . 3.110 2.605 2.424 3.199 0.089 11 0 "[ . 1 . 2]" 1
1361 1 69 VAL HB 1 70 THR H 3.120 . 3.120 2.334 1.973 3.191 0.071 12 0 "[ . 1 . 2]" 1
1362 1 69 VAL HB 1 70 THR MG 4.610 . 4.610 3.483 2.897 3.981 . 0 0 "[ . 1 . 2]" 1
1363 1 70 THR H 1 70 THR MG 4.120 . 4.120 3.304 3.068 3.586 . 0 0 "[ . 1 . 2]" 1
1364 1 70 THR H 1 71 VAL H 4.930 . 4.930 4.316 4.218 4.390 . 0 0 "[ . 1 . 2]" 1
1365 1 70 THR HA 1 71 VAL H 3.470 . 3.470 2.241 2.154 2.372 . 0 0 "[ . 1 . 2]" 1
1366 1 70 THR HB 1 71 VAL H 3.220 . 3.220 2.926 2.548 3.229 0.009 8 0 "[ . 1 . 2]" 1
1367 1 70 THR HB 1 72 ALA H 5.500 . 5.500 5.302 5.024 5.488 . 0 0 "[ . 1 . 2]" 1
1368 1 70 THR MG 1 71 VAL H 4.190 . 4.190 3.623 3.306 3.844 . 0 0 "[ . 1 . 2]" 1
1369 1 71 VAL H 1 71 VAL HB 3.860 . 3.860 3.260 3.108 3.401 . 0 0 "[ . 1 . 2]" 1
1370 1 71 VAL H 1 71 VAL MG1 3.660 . 3.660 2.326 2.167 2.587 . 0 0 "[ . 1 . 2]" 1
1371 1 71 VAL H 1 72 ALA H 5.240 . 5.240 4.259 4.103 4.353 . 0 0 "[ . 1 . 2]" 1
1372 1 71 VAL H 1 72 ALA HA 5.500 . 5.500 4.737 4.626 4.849 . 0 0 "[ . 1 . 2]" 1
1373 1 71 VAL H 1 72 ALA MB 5.150 . 5.150 4.653 4.372 4.807 . 0 0 "[ . 1 . 2]" 1
1374 1 71 VAL HA 1 72 ALA H 2.900 . 2.900 2.164 2.111 2.220 . 0 0 "[ . 1 . 2]" 1
1375 1 71 VAL HA 1 72 ALA MB 4.760 . 4.760 3.949 3.909 3.974 . 0 0 "[ . 1 . 2]" 1
1376 1 71 VAL HB 1 72 ALA H 4.340 . 4.340 4.177 4.093 4.276 . 0 0 "[ . 1 . 2]" 1
1377 1 71 VAL MG2 1 72 ALA H 3.720 . 3.720 2.538 2.348 2.755 . 0 0 "[ . 1 . 2]" 1
1378 1 71 VAL MG2 1 72 ALA HA 4.600 . 4.600 3.690 3.555 3.920 . 0 0 "[ . 1 . 2]" 1
1379 1 72 ALA H 1 72 ALA MB 3.450 . 3.450 2.482 2.372 2.584 . 0 0 "[ . 1 . 2]" 1
1380 1 72 ALA H 1 73 PRO HD3 5.200 . 5.200 4.667 4.326 4.950 . 0 0 "[ . 1 . 2]" 1
1381 1 72 ALA HA 1 73 PRO QB 4.950 . 4.950 4.625 4.595 4.648 . 0 0 "[ . 1 . 2]" 1
1382 1 72 ALA HA 1 73 PRO HD2 3.630 . 3.630 2.352 2.069 2.626 . 0 0 "[ . 1 . 2]" 1
1383 1 72 ALA MB 1 73 PRO HD2 3.600 . 3.600 2.644 2.275 3.125 . 0 0 "[ . 1 . 2]" 1
1384 1 72 ALA MB 1 73 PRO HD3 4.020 . 4.020 3.520 3.243 3.725 . 0 0 "[ . 1 . 2]" 1
1385 1 72 ALA MB 1 73 PRO HG2 5.500 . 5.500 4.414 3.826 5.085 . 0 0 "[ . 1 . 2]" 1
1386 1 73 PRO QB 1 74 GLN H . . 3.930 3.495 3.230 3.648 . 0 0 "[ . 1 . 2]" 1
1387 1 73 PRO QB 1 75 VAL QG 5.500 . 5.500 4.530 3.573 5.187 . 0 0 "[ . 1 . 2]" 1
1388 1 73 PRO HD3 1 74 GLN H 5.500 . 5.500 5.457 5.301 5.670 0.170 5 0 "[ . 1 . 2]" 1
1389 1 74 GLN H 1 74 GLN QB 3.080 . 3.080 2.591 2.130 2.982 . 0 0 "[ . 1 . 2]" 1
1390 1 74 GLN H 1 74 GLN QG 3.900 . 3.900 2.871 2.236 3.779 . 0 0 "[ . 1 . 2]" 1
1391 1 74 GLN HA 1 74 GLN QG 3.930 . 3.930 3.013 2.216 3.329 . 0 0 "[ . 1 . 2]" 1
1392 1 74 GLN HA 1 75 VAL H 2.620 . 2.620 2.559 2.432 2.647 0.027 7 0 "[ . 1 . 2]" 1
1393 1 74 GLN HA 1 75 VAL QG 4.270 . 4.270 3.139 2.964 3.322 . 0 0 "[ . 1 . 2]" 1
1394 1 74 GLN HA 1 78 ALA MB 4.310 . 4.310 3.982 3.087 4.608 0.298 19 0 "[ . 1 . 2]" 1
1395 1 74 GLN QB 1 75 VAL H 3.190 . 3.190 2.377 2.040 3.157 . 0 0 "[ . 1 . 2]" 1
1396 1 74 GLN QB 1 75 VAL QG 5.340 . 5.340 3.818 3.356 4.353 . 0 0 "[ . 1 . 2]" 1
1397 1 74 GLN QB 1 78 ALA MB 5.490 . 5.490 3.087 1.644 4.776 . 0 0 "[ . 1 . 2]" 1
1398 1 74 GLN HE21 1 75 VAL H 5.500 . 5.500 5.176 4.693 5.596 0.096 12 0 "[ . 1 . 2]" 1
1399 1 74 GLN HE21 1 76 GLN H 5.500 . 5.500 5.344 4.585 5.652 0.152 15 0 "[ . 1 . 2]" 1
1400 1 74 GLN HE22 1 75 VAL H 5.500 . 5.500 5.586 5.452 5.679 0.179 18 0 "[ . 1 . 2]" 1
1401 1 74 GLN QG 1 75 VAL H 3.560 . 3.560 2.525 1.811 3.467 . 0 0 "[ . 1 . 2]" 1
1402 1 75 VAL H 1 75 VAL QG 3.370 . 3.370 2.336 2.092 2.782 . 0 0 "[ . 1 . 2]" 1
1403 1 75 VAL H 1 76 GLN HA 5.010 . 5.010 5.015 4.203 5.278 0.268 9 0 "[ . 1 . 2]" 1
1404 1 75 VAL HA 1 75 VAL QG 3.280 . 3.280 2.272 2.131 2.470 . 0 0 "[ . 1 . 2]" 1
1405 1 75 VAL HA 1 76 GLN H 2.790 . 2.790 2.258 2.088 2.833 0.043 17 0 "[ . 1 . 2]" 1
1406 1 75 VAL QG 1 76 GLN H 4.040 . 4.040 3.486 2.446 3.784 . 0 0 "[ . 1 . 2]" 1
1407 1 75 VAL QG 1 76 GLN QG 5.500 . 5.500 3.546 2.283 5.016 . 0 0 "[ . 1 . 2]" 1
1408 1 75 VAL QG 1 78 ALA H 5.500 . 5.500 4.085 2.944 5.314 . 0 0 "[ . 1 . 2]" 1
1409 1 76 GLN H 1 76 GLN QB 3.450 . 3.450 3.077 2.424 3.365 . 0 0 "[ . 1 . 2]" 1
1410 1 76 GLN H 1 76 GLN QG 4.290 . 4.290 3.277 2.380 4.487 0.197 6 0 "[ . 1 . 2]" 1
1411 1 76 GLN HA 1 77 THR H 3.110 . 3.110 3.114 2.095 3.501 0.391 12 0 "[ . 1 . 2]" 1
1412 1 76 GLN HA 1 78 ALA H 5.500 . 5.500 4.702 3.474 5.599 0.099 6 0 "[ . 1 . 2]" 1
1413 1 76 GLN QB 1 77 THR H . . 4.460 2.408 1.676 3.907 . 0 0 "[ . 1 . 2]" 1
1414 1 76 GLN QB 1 78 ALA H 5.500 . 5.500 4.576 2.974 5.275 . 0 0 "[ . 1 . 2]" 1
1415 1 76 GLN HE21 1 77 THR H 5.500 . 5.500 3.526 2.126 4.415 . 0 0 "[ . 1 . 2]" 1
1416 1 76 GLN HE21 1 77 THR HA 5.500 . 5.500 5.175 3.889 5.621 0.121 15 0 "[ . 1 . 2]" 1
1417 1 76 GLN HE22 1 77 THR H 5.500 . 5.500 4.780 2.575 5.600 0.100 2 0 "[ . 1 . 2]" 1
1418 1 76 GLN QG 1 77 THR H 5.130 . 5.130 3.100 1.572 4.633 . 0 0 "[ . 1 . 2]" 1
1419 1 77 THR H 1 77 THR HB 4.100 . 4.100 3.095 2.582 4.071 . 0 0 "[ . 1 . 2]" 1
1420 1 77 THR H 1 78 ALA HA 5.500 . 5.500 4.877 3.836 5.496 . 0 0 "[ . 1 . 2]" 1
1421 1 77 THR HA 1 78 ALA H 3.210 . 3.210 2.740 2.114 3.475 0.265 7 0 "[ . 1 . 2]" 1
1422 1 77 THR HB 1 78 ALA H 4.280 . 4.280 4.220 3.565 4.415 0.135 20 0 "[ . 1 . 2]" 1
1423 1 77 THR MG 1 78 ALA H 5.410 . 5.410 3.637 1.978 4.421 . 0 0 "[ . 1 . 2]" 1
1424 1 78 ALA H 1 79 GLY QA 5.500 . 5.500 4.631 4.007 5.341 . 0 0 "[ . 1 . 2]" 1
1425 1 78 ALA HA 1 79 GLY H 3.500 . 3.500 2.917 2.129 3.548 0.048 18 0 "[ . 1 . 2]" 1
1426 1 78 ALA MB 1 79 GLY H 5.240 . 5.240 3.013 1.792 3.600 . 0 0 "[ . 1 . 2]" 1
1427 1 80 ALA H 1 81 LYS HA 5.500 . 5.500 4.939 4.257 5.516 0.016 16 0 "[ . 1 . 2]" 1
1428 1 80 ALA MB 1 81 LYS H 5.240 . 5.240 2.641 1.848 3.686 . 0 0 "[ . 1 . 2]" 1
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