NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473543 |
2k2a   |
15698 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k2a
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 1126
_Distance_constraint_stats_list.Viol_count 400
_Distance_constraint_stats_list.Viol_total 532.943
_Distance_constraint_stats_list.Viol_max 0.842
_Distance_constraint_stats_list.Viol_rms 0.0386
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.1332
_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 MET 0.000 0.000 . 0 "[ . 1]"
1 2 GLN 0.025 0.025 7 0 "[ . 1]"
1 3 GLN 0.390 0.202 4 0 "[ . 1]"
1 4 GLU 0.390 0.202 4 0 "[ . 1]"
1 5 LEU 0.399 0.060 7 0 "[ . 1]"
1 6 ARG 0.874 0.307 9 0 "[ . 1]"
1 7 GLU 0.072 0.049 1 0 "[ . 1]"
1 8 ALA 0.973 0.461 2 0 "[ . 1]"
1 9 PHE 0.461 0.219 1 0 "[ . 1]"
1 10 ARG 0.969 0.502 2 1 "[ + . 1]"
1 11 LEU 0.829 0.461 2 0 "[ . 1]"
1 12 TYR 0.372 0.172 1 0 "[ . 1]"
1 13 ASP 1.166 0.231 1 0 "[ . 1]"
1 14 LYS 0.062 0.043 7 0 "[ . 1]"
1 15 GLU 0.894 0.842 5 1 "[ + 1]"
1 16 GLY 0.129 0.077 6 0 "[ . 1]"
1 17 ASN 0.647 0.380 9 0 "[ . 1]"
1 18 GLY 0.304 0.165 10 0 "[ . 1]"
1 19 TYR 2.152 0.380 9 0 "[ . 1]"
1 20 ILE 3.324 0.704 1 1 "[+ . 1]"
1 21 SER 0.412 0.234 2 0 "[ . 1]"
1 22 THR 2.254 0.273 9 0 "[ . 1]"
1 23 ASP 0.446 0.116 4 0 "[ . 1]"
1 24 VAL 2.860 0.704 1 1 "[+ . 1]"
1 25 MET 5.072 0.776 8 1 "[ . + 1]"
1 26 ARG 2.217 0.772 4 2 "[ - +. 1]"
1 27 GLU 0.008 0.008 3 0 "[ . 1]"
1 28 ILE 0.809 0.135 4 0 "[ . 1]"
1 29 LEU 6.510 0.825 2 3 "[ + *. *]"
1 30 ALA 1.410 0.269 3 0 "[ . 1]"
1 31 GLU 0.515 0.135 4 0 "[ . 1]"
1 32 LEU 2.899 0.437 8 0 "[ . 1]"
1 33 ASP 0.706 0.215 7 0 "[ . 1]"
1 34 GLU 1.445 0.440 7 0 "[ . 1]"
1 35 THR 3.015 0.538 2 1 "[ + . 1]"
1 36 LEU 2.737 0.538 2 1 "[ + . 1]"
1 37 SER 1.232 0.269 3 0 "[ . 1]"
1 38 SER 0.930 0.452 10 0 "[ . 1]"
1 39 GLU 3.914 0.627 10 4 "[ * * - +]"
1 40 ASP 1.897 0.471 10 0 "[ . 1]"
1 41 LEU 3.218 0.820 1 1 "[+ . 1]"
1 42 ASP 0.040 0.031 8 0 "[ . 1]"
1 43 ALA 0.619 0.418 5 0 "[ . 1]"
1 44 MET 1.317 0.568 10 1 "[ . +]"
1 45 ILE 1.424 0.137 6 0 "[ . 1]"
1 46 ASP 0.962 0.418 5 0 "[ . 1]"
1 47 GLU 2.112 0.218 10 0 "[ . 1]"
1 48 ILE 1.879 0.428 10 0 "[ . 1]"
1 49 ASP 3.231 0.428 10 0 "[ . 1]"
1 50 ALA 0.800 0.357 9 0 "[ . 1]"
1 51 ASP 1.573 0.264 7 0 "[ . 1]"
1 52 GLY 2.411 0.339 6 0 "[ . 1]"
1 53 SER 0.163 0.089 2 0 "[ . 1]"
1 54 GLY 1.104 0.339 6 0 "[ . 1]"
1 55 THR 4.608 0.339 6 0 "[ . 1]"
1 56 VAL 1.954 0.264 7 0 "[ . 1]"
1 57 ASP 0.464 0.179 6 0 "[ . 1]"
1 58 PHE 0.231 0.118 8 0 "[ . 1]"
1 59 GLU 0.340 0.264 10 0 "[ . 1]"
1 60 GLU 0.753 0.179 6 0 "[ . 1]"
1 61 PHE 3.473 0.776 8 3 "[ . -+ *]"
1 62 MET 2.729 0.755 10 3 "[ * . - +]"
1 63 GLY 0.066 0.038 2 0 "[ . 1]"
1 64 VAL 0.751 0.477 8 0 "[ . 1]"
1 65 MET 1.103 0.650 2 1 "[ + . 1]"
1 66 THR 0.885 0.257 2 0 "[ . 1]"
1 67 GLY 1.185 0.264 7 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 69 ASP 1.121 0.264 7 0 "[ . 1]"
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 MET HA 1 2 GLN H 2.600 . 3.400 2.408 2.161 3.032 . 0 0 "[ . 1]" 1
2 1 2 GLN H 1 2 GLN HA 2.700 . 3.600 2.934 2.888 2.967 . 0 0 "[ . 1]" 1
3 1 2 GLN H 1 2 GLN QB 2.100 . 2.600 2.434 2.269 2.625 0.025 7 0 "[ . 1]" 1
4 1 2 GLN HA 1 3 GLN H 2.700 . 3.600 2.632 2.081 3.581 . 0 0 "[ . 1]" 1
5 1 3 GLN H 1 3 GLN HA 2.700 . 3.600 2.957 2.866 2.995 . 0 0 "[ . 1]" 1
6 1 3 GLN H 1 4 GLU H 2.400 . 3.100 2.707 2.103 3.302 0.202 4 0 "[ . 1]" 1
7 1 3 GLN H 1 4 GLU H 2.500 . 3.300 2.393 2.033 2.659 . 0 0 "[ . 1]" 1
8 1 3 GLN HA 1 4 GLU H 2.300 . 3.000 2.165 1.969 2.306 . 0 0 "[ . 1]" 1
9 1 5 LEU H 1 5 LEU HA 2.600 . 3.400 2.871 2.740 2.977 . 0 0 "[ . 1]" 1
10 1 5 LEU H 1 5 LEU HB2 2.200 . 2.800 2.532 2.470 2.576 . 0 0 "[ . 1]" 1
11 1 5 LEU H 1 5 LEU HB2 2.000 . 2.500 2.428 2.247 2.529 0.029 7 0 "[ . 1]" 1
12 1 5 LEU H 1 5 LEU HB3 3.000 . 4.100 3.628 3.599 3.712 . 0 0 "[ . 1]" 1
13 1 5 LEU H 1 5 LEU MD1 4.100 . 6.000 3.657 3.499 3.884 . 0 0 "[ . 1]" 1
14 1 5 LEU H 1 5 LEU QD 3.300 . 4.700 3.021 2.888 3.176 . 0 0 "[ . 1]" 1
15 1 5 LEU H 1 5 LEU QD 3.000 . 4.100 2.927 2.800 3.070 . 0 0 "[ . 1]" 1
16 1 5 LEU H 1 5 LEU HG 2.300 . 3.000 2.240 2.098 2.539 . 0 0 "[ . 1]" 1
17 1 5 LEU H 1 5 LEU HG 2.200 . 2.800 2.033 1.878 2.252 . 0 0 "[ . 1]" 1
18 1 5 LEU H 1 5 LEU HG 2.900 . 3.900 2.092 1.968 2.340 . 0 0 "[ . 1]" 1
19 1 5 LEU HA 1 5 LEU HB3 2.400 . 3.100 2.459 2.415 2.503 . 0 0 "[ . 1]" 1
20 1 5 LEU HA 1 5 LEU MD1 3.200 . 4.400 3.855 3.815 3.900 . 0 0 "[ . 1]" 1
21 1 5 LEU HA 1 5 LEU MD2 2.400 . 3.200 1.995 1.894 2.085 . 0 0 "[ . 1]" 1
22 1 5 LEU HA 1 5 LEU HG 3.200 . 4.500 3.171 3.039 3.293 . 0 0 "[ . 1]" 1
23 1 5 LEU HA 1 6 ARG H 2.800 . 3.800 2.714 2.659 2.779 . 0 0 "[ . 1]" 1
24 1 5 LEU HA 1 7 GLU H 3.200 . 4.500 3.336 2.964 3.718 . 0 0 "[ . 1]" 1
25 1 5 LEU HA 1 7 GLU H 3.600 . 5.200 3.239 2.921 3.455 . 0 0 "[ . 1]" 1
26 1 5 LEU HA 1 8 ALA MB 3.300 . 4.600 3.209 2.307 3.896 . 0 0 "[ . 1]" 1
27 1 5 LEU HB2 1 5 LEU MD1 2.500 . 3.300 2.338 2.282 2.363 . 0 0 "[ . 1]" 1
28 1 5 LEU HB2 1 5 LEU MD2 3.400 . 4.900 3.211 3.208 3.214 . 0 0 "[ . 1]" 1
29 1 5 LEU HB2 1 5 LEU HG 2.600 . 3.400 2.449 2.425 2.488 . 0 0 "[ . 1]" 1
30 1 5 LEU HB2 1 6 ARG HA 3.300 . 4.700 4.339 4.185 4.512 . 0 0 "[ . 1]" 1
31 1 5 LEU HB2 1 6 ARG HE 4.200 . 6.000 5.379 4.175 6.060 0.060 7 0 "[ . 1]" 1
32 1 5 LEU HB2 1 61 PHE QE 4.000 . 6.000 3.509 2.619 4.332 . 0 0 "[ . 1]" 1
33 1 5 LEU HB3 1 5 LEU MD1 2.600 . 3.400 2.369 2.347 2.423 . 0 0 "[ . 1]" 1
34 1 5 LEU HB3 1 5 LEU MD2 2.600 . 3.400 2.412 2.361 2.451 . 0 0 "[ . 1]" 1
35 1 5 LEU HB3 1 5 LEU HG 2.600 . 3.500 3.032 3.029 3.035 . 0 0 "[ . 1]" 1
36 1 5 LEU HB3 1 6 ARG H 2.700 . 3.600 2.201 1.991 2.308 . 0 0 "[ . 1]" 1
37 1 5 LEU HB3 1 6 ARG HA 3.600 . 5.200 4.664 4.301 4.919 . 0 0 "[ . 1]" 1
38 1 5 LEU HB3 1 61 PHE QE 3.100 . 4.300 2.668 1.846 4.058 0.054 5 0 "[ . 1]" 1
39 1 5 LEU HB3 1 61 PHE HZ 3.400 . 4.800 4.068 2.593 4.822 0.022 1 0 "[ . 1]" 1
40 1 5 LEU MD1 1 5 LEU MD2 1.300 . 2.200 2.090 2.087 2.094 . 0 0 "[ . 1]" 1
41 1 5 LEU QD 1 61 PHE QD 3.600 . 5.200 3.354 2.583 3.839 . 0 0 "[ . 1]" 1
42 1 5 LEU QD 1 61 PHE HZ 3.400 . 4.800 2.940 1.978 4.280 0.022 10 0 "[ . 1]" 1
43 1 5 LEU MD1 1 5 LEU HG 2.300 . 2.900 2.139 2.137 2.141 . 0 0 "[ . 1]" 1
44 1 5 LEU MD1 1 6 ARG HA 3.200 . 4.500 3.665 3.314 4.068 . 0 0 "[ . 1]" 1
45 1 5 LEU MD1 1 6 ARG HA 3.000 . 6.000 5.078 4.601 5.514 . 0 0 "[ . 1]" 1
46 1 5 LEU MD1 1 61 PHE HB3 4.200 . 6.000 4.570 3.881 5.053 . 0 0 "[ . 1]" 1
47 1 5 LEU MD1 1 61 PHE QE 3.100 . 4.300 2.586 1.886 3.678 0.014 6 0 "[ . 1]" 1
48 1 5 LEU MD1 1 61 PHE QE 3.800 . 5.600 3.822 2.558 5.014 . 0 0 "[ . 1]" 1
49 1 5 LEU MD1 1 62 MET HA 3.600 . 5.200 3.122 2.099 4.502 . 0 0 "[ . 1]" 1
50 1 5 LEU MD1 1 62 MET HA 3.600 . 5.200 3.051 2.098 4.185 . 0 0 "[ . 1]" 1
51 1 5 LEU MD1 1 65 MET HB2 3.300 . 4.700 3.186 2.140 4.335 . 0 0 "[ . 1]" 1
52 1 5 LEU MD1 1 65 MET HB3 3.300 . 4.700 3.066 2.293 3.797 . 0 0 "[ . 1]" 1
53 1 5 LEU MD1 1 66 THR MG 2.800 . 3.800 2.515 1.894 3.656 . 0 0 "[ . 1]" 1
54 1 5 LEU MD2 1 5 LEU HG 2.300 . 2.900 2.141 2.140 2.143 . 0 0 "[ . 1]" 1
55 1 5 LEU MD2 1 7 GLU HB3 2.900 . 6.000 4.763 4.204 5.145 . 0 0 "[ . 1]" 1
56 1 5 LEU MD2 1 8 ALA MB 2.900 . 4.000 2.949 2.377 3.594 . 0 0 "[ . 1]" 1
57 1 5 LEU MD2 1 65 MET ME 2.100 . 2.600 2.071 1.740 2.469 . 0 0 "[ . 1]" 1
58 1 6 ARG H 1 6 ARG HA 3.400 . 4.800 2.553 2.525 2.601 . 0 0 "[ . 1]" 1
59 1 6 ARG H 1 6 ARG HB2 2.600 . 3.400 2.644 2.180 3.604 0.204 4 0 "[ . 1]" 1
60 1 6 ARG H 1 6 ARG QB 2.600 . 3.400 2.346 2.114 2.846 . 0 0 "[ . 1]" 1
61 1 6 ARG H 1 6 ARG HB2 2.600 . 3.400 2.092 1.984 2.241 . 0 0 "[ . 1]" 1
62 1 6 ARG H 1 6 ARG HB3 3.100 . 4.300 3.100 2.258 3.632 . 0 0 "[ . 1]" 1
63 1 6 ARG H 1 6 ARG HG2 2.400 . 3.100 2.116 1.929 2.311 . 0 0 "[ . 1]" 1
64 1 6 ARG H 1 6 ARG HG3 4.000 . 6.000 3.599 1.693 4.546 0.307 9 0 "[ . 1]" 1
65 1 6 ARG H 1 7 GLU H 2.500 . 3.300 2.370 2.284 2.457 . 0 0 "[ . 1]" 1
66 1 6 ARG H 1 7 GLU H 2.500 . 3.300 2.336 2.173 2.442 . 0 0 "[ . 1]" 1
67 1 6 ARG H 1 7 GLU H 2.700 . 3.600 2.197 2.064 2.365 . 0 0 "[ . 1]" 1
68 1 6 ARG H 1 7 GLU HA 3.600 . 5.200 3.502 3.461 3.530 . 0 0 "[ . 1]" 1
69 1 6 ARG HA 1 6 ARG HB2 2.600 . 3.400 2.754 2.330 3.036 . 0 0 "[ . 1]" 1
70 1 6 ARG HA 1 6 ARG HB3 2.700 . 3.600 2.660 2.270 3.034 . 0 0 "[ . 1]" 1
71 1 6 ARG HA 1 6 ARG QD 3.500 . 5.000 2.991 1.947 4.522 0.053 6 0 "[ . 1]" 1
72 1 6 ARG HA 1 6 ARG HG2 3.500 . 5.000 3.453 2.394 4.186 . 0 0 "[ . 1]" 1
73 1 6 ARG HA 1 6 ARG HG2 3.500 . 5.000 2.881 1.980 3.688 0.020 5 0 "[ . 1]" 1
74 1 6 ARG HA 1 6 ARG HG3 3.200 . 4.400 3.123 2.370 3.752 . 0 0 "[ . 1]" 1
75 1 6 ARG HA 1 6 ARG HG3 3.400 . 4.900 2.993 2.357 3.559 . 0 0 "[ . 1]" 1
76 1 6 ARG HA 1 9 PHE H 3.800 . 5.600 2.903 2.346 3.241 . 0 0 "[ . 1]" 1
77 1 6 ARG HA 1 9 PHE HB2 3.600 . 5.200 3.226 2.610 3.919 . 0 0 "[ . 1]" 1
78 1 6 ARG HA 1 9 PHE HB3 3.300 . 4.700 2.795 1.958 3.268 . 0 0 "[ . 1]" 1
79 1 6 ARG HA 1 9 PHE QD 4.800 . 6.000 4.361 3.650 4.741 . 0 0 "[ . 1]" 1
80 1 6 ARG QB 1 7 GLU H 2.800 . 3.800 2.987 2.417 3.750 . 0 0 "[ . 1]" 1
81 1 6 ARG HB2 1 6 ARG QD 3.000 . 4.100 2.775 2.281 3.310 . 0 0 "[ . 1]" 1
82 1 6 ARG HB2 1 6 ARG HG2 3.000 . 4.200 2.651 2.416 3.030 . 0 0 "[ . 1]" 1
83 1 6 ARG HB2 1 7 GLU H 3.500 . 5.000 3.470 2.469 4.099 . 0 0 "[ . 1]" 1
84 1 6 ARG HB3 1 6 ARG QD 3.000 . 4.100 3.052 2.332 3.551 . 0 0 "[ . 1]" 1
85 1 6 ARG HB3 1 6 ARG HG2 2.300 . 3.000 2.121 2.018 2.194 . 0 0 "[ . 1]" 1
86 1 6 ARG HB3 1 7 GLU H 3.300 . 4.700 3.578 2.762 4.520 . 0 0 "[ . 1]" 1
87 1 6 ARG QD 1 6 ARG HE 3.900 . 5.800 2.444 2.268 2.523 . 0 0 "[ . 1]" 1
88 1 6 ARG HE 1 6 ARG HG2 4.000 . 6.000 2.744 2.309 3.683 . 0 0 "[ . 1]" 1
89 1 6 ARG HE 1 6 ARG HG3 3.900 . 5.800 3.237 2.465 3.789 . 0 0 "[ . 1]" 1
90 1 7 GLU H 1 7 GLU HA 2.400 . 3.100 2.544 2.510 2.586 . 0 0 "[ . 1]" 1
91 1 7 GLU H 1 7 GLU QB 2.300 . 2.900 2.386 2.226 2.563 . 0 0 "[ . 1]" 1
92 1 7 GLU HA 1 7 GLU QB 3.400 . 4.900 2.326 2.178 2.417 . 0 0 "[ . 1]" 1
93 1 7 GLU HA 1 7 GLU QG 2.700 . 3.600 2.884 2.285 3.369 . 0 0 "[ . 1]" 1
94 1 7 GLU HA 1 10 ARG H 3.100 . 4.300 3.645 3.259 4.208 . 0 0 "[ . 1]" 1
95 1 7 GLU QB 1 7 GLU QG 3.600 . 5.200 2.058 1.999 2.101 0.001 6 0 "[ . 1]" 1
96 1 7 GLU QB 1 8 ALA H 2.500 . 3.300 2.766 2.355 3.349 0.049 1 0 "[ . 1]" 1
97 1 7 GLU QB 1 8 ALA HA 3.900 . 5.800 4.035 3.803 4.256 . 0 0 "[ . 1]" 1
98 1 8 ALA H 1 8 ALA HA 2.400 . 3.100 2.869 2.826 2.926 . 0 0 "[ . 1]" 1
99 1 8 ALA H 1 8 ALA HA 2.700 . 3.600 2.755 2.721 2.802 . 0 0 "[ . 1]" 1
100 1 8 ALA H 1 8 ALA MB 2.100 . 2.600 2.247 2.234 2.275 . 0 0 "[ . 1]" 1
101 1 8 ALA H 1 9 PHE H 2.500 . 3.300 2.575 2.415 2.726 . 0 0 "[ . 1]" 1
102 1 8 ALA HA 1 8 ALA MB 2.300 . 3.000 2.140 2.138 2.142 . 0 0 "[ . 1]" 1
103 1 8 ALA HA 1 9 PHE H 3.500 . 5.000 3.533 3.477 3.552 . 0 0 "[ . 1]" 1
104 1 8 ALA HA 1 9 PHE H 3.400 . 4.900 2.947 2.443 3.182 . 0 0 "[ . 1]" 1
105 1 8 ALA HA 1 11 LEU H 3.300 . 4.700 3.640 3.235 4.032 . 0 0 "[ . 1]" 1
106 1 8 ALA HA 1 11 LEU HB2 3.400 . 4.800 3.478 2.196 5.094 0.294 3 0 "[ . 1]" 1
107 1 8 ALA HA 1 11 LEU HB3 3.900 . 5.800 4.107 3.564 4.555 . 0 0 "[ . 1]" 1
108 1 8 ALA HA 1 11 LEU MD2 3.400 . 4.900 4.291 2.407 5.361 0.461 2 0 "[ . 1]" 1
109 1 8 ALA HA 1 11 LEU MD2 3.500 . 5.000 4.002 2.403 4.570 . 0 0 "[ . 1]" 1
110 1 8 ALA HA 1 11 LEU HG 3.600 . 5.200 3.036 2.256 4.012 . 0 0 "[ . 1]" 1
111 1 8 ALA MB 1 9 PHE H 3.000 . 4.100 2.604 2.518 2.816 . 0 0 "[ . 1]" 1
112 1 8 ALA MB 1 9 PHE H 2.500 . 3.300 2.320 2.194 2.593 . 0 0 "[ . 1]" 1
113 1 8 ALA MB 1 12 TYR QD 3.500 . 5.000 2.951 2.338 3.394 . 0 0 "[ . 1]" 1
114 1 8 ALA MB 1 12 TYR QD 3.900 . 5.800 3.597 2.653 4.792 . 0 0 "[ . 1]" 1
115 1 8 ALA MB 1 12 TYR QE 3.300 . 4.600 3.159 2.230 4.162 . 0 0 "[ . 1]" 1
116 1 8 ALA MB 1 28 ILE MD 3.100 . 4.300 3.764 2.848 4.366 0.066 8 0 "[ . 1]" 1
117 1 8 ALA MB 1 28 ILE MG 2.900 . 4.000 3.192 2.384 4.015 0.015 8 0 "[ . 1]" 1
118 1 8 ALA MB 1 61 PHE HZ 3.700 . 5.400 3.153 2.027 4.053 . 0 0 "[ . 1]" 1
119 1 9 PHE H 1 9 PHE HA 3.000 . 4.100 2.859 2.835 2.917 . 0 0 "[ . 1]" 1
120 1 9 PHE H 1 9 PHE HB2 2.500 . 3.300 2.415 2.321 2.573 . 0 0 "[ . 1]" 1
121 1 9 PHE H 1 9 PHE HB3 2.400 . 3.100 2.626 2.538 2.709 . 0 0 "[ . 1]" 1
122 1 9 PHE H 1 9 PHE QD 4.900 . 6.000 4.166 4.110 4.222 . 0 0 "[ . 1]" 1
123 1 9 PHE H 1 10 ARG H 2.500 . 3.300 2.653 2.414 2.767 . 0 0 "[ . 1]" 1
124 1 9 PHE HA 1 9 PHE HB2 3.000 . 4.200 2.528 2.480 2.566 . 0 0 "[ . 1]" 1
125 1 9 PHE HA 1 9 PHE QD 3.400 . 4.800 2.834 2.604 3.091 . 0 0 "[ . 1]" 1
126 1 9 PHE HA 1 10 ARG H 3.900 . 5.800 3.561 3.531 3.594 . 0 0 "[ . 1]" 1
127 1 9 PHE HA 1 11 LEU H 4.000 . 6.000 3.365 3.041 3.728 . 0 0 "[ . 1]" 1
128 1 9 PHE HA 1 12 TYR HB3 4.300 . 6.000 4.532 3.756 5.098 . 0 0 "[ . 1]" 1
129 1 9 PHE HA 1 12 TYR QD 3.400 . 4.900 3.324 2.099 4.563 . 0 0 "[ . 1]" 1
130 1 9 PHE HA 1 20 ILE MD 3.900 . 5.800 3.639 3.135 3.924 . 0 0 "[ . 1]" 1
131 1 9 PHE HA 1 20 ILE MG 3.700 . 5.400 3.507 2.972 3.996 . 0 0 "[ . 1]" 1
132 1 9 PHE HA 1 28 ILE MD 3.900 . 5.800 3.892 3.448 4.474 . 0 0 "[ . 1]" 1
133 1 9 PHE HB2 1 9 PHE QD 3.000 . 4.100 2.432 2.322 2.516 . 0 0 "[ . 1]" 1
134 1 9 PHE HB2 1 10 ARG H 3.300 . 4.700 3.806 3.633 3.958 . 0 0 "[ . 1]" 1
135 1 9 PHE HB3 1 9 PHE QD 2.900 . 4.000 2.383 2.315 2.494 . 0 0 "[ . 1]" 1
136 1 9 PHE HB3 1 9 PHE QE 4.700 . 6.000 4.412 4.392 4.447 . 0 0 "[ . 1]" 1
137 1 9 PHE HB3 1 10 ARG H 3.200 . 4.400 2.600 2.365 2.877 . 0 0 "[ . 1]" 1
138 1 9 PHE HB3 1 61 PHE QE 4.600 . 6.000 4.630 3.423 5.641 . 0 0 "[ . 1]" 1
139 1 9 PHE QD 1 10 ARG HD2 4.100 . 6.000 3.701 2.755 4.292 . 0 0 "[ . 1]" 1
140 1 9 PHE QD 1 20 ILE MD 3.500 . 5.100 2.936 2.442 3.358 . 0 0 "[ . 1]" 1
141 1 9 PHE QD 1 20 ILE MG 3.800 . 5.600 3.681 3.157 4.437 . 0 0 "[ . 1]" 1
142 1 9 PHE QD 1 28 ILE MD 3.500 . 5.000 4.262 3.785 4.705 . 0 0 "[ . 1]" 1
143 1 9 PHE QD 1 61 PHE HB2 3.400 . 4.900 3.738 2.760 4.327 . 0 0 "[ . 1]" 1
144 1 9 PHE QD 1 61 PHE QD 3.300 . 6.000 3.340 2.811 4.038 . 0 0 "[ . 1]" 1
145 1 9 PHE QE 1 13 ASP HB2 3.800 . 5.600 3.939 2.876 5.819 0.219 1 0 "[ . 1]" 1
146 1 9 PHE QE 1 20 ILE MG 3.800 . 5.600 2.968 2.567 3.953 . 0 0 "[ . 1]" 1
147 1 9 PHE HZ 1 18 GLY HA3 3.700 . 5.400 4.502 3.647 5.540 0.140 2 0 "[ . 1]" 1
148 1 9 PHE HZ 1 19 TYR HA 3.000 . 4.100 3.112 2.566 3.746 . 0 0 "[ . 1]" 1
149 1 9 PHE HZ 1 20 ILE MD 3.600 . 5.200 3.051 2.737 3.406 . 0 0 "[ . 1]" 1
150 1 9 PHE HZ 1 20 ILE HG12 4.000 . 6.000 3.805 2.854 4.411 . 0 0 "[ . 1]" 1
151 1 9 PHE HZ 1 20 ILE HG13 4.400 . 6.000 5.515 4.564 6.041 0.041 10 0 "[ . 1]" 1
152 1 9 PHE HZ 1 20 ILE HG13 4.700 . 6.000 4.678 3.396 5.329 . 0 0 "[ . 1]" 1
153 1 9 PHE HZ 1 20 ILE MG 3.300 . 4.700 3.201 2.659 4.427 . 0 0 "[ . 1]" 1
154 1 9 PHE HZ 1 58 PHE H 3.900 . 5.800 4.120 3.370 5.241 . 0 0 "[ . 1]" 1
155 1 9 PHE HZ 1 58 PHE HA 4.100 . 6.000 3.466 2.983 4.051 . 0 0 "[ . 1]" 1
156 1 10 ARG H 1 10 ARG HA 2.600 . 3.400 2.866 2.810 2.928 . 0 0 "[ . 1]" 1
157 1 10 ARG H 1 10 ARG QB 2.200 . 2.800 2.463 2.125 2.777 . 0 0 "[ . 1]" 1
158 1 10 ARG H 1 10 ARG HG2 2.400 . 3.100 2.646 2.055 3.602 0.502 2 1 "[ + . 1]" 1
159 1 10 ARG H 1 10 ARG HG3 3.100 . 4.300 3.081 2.298 4.062 . 0 0 "[ . 1]" 1
160 1 10 ARG H 1 10 ARG HG3 4.000 . 6.000 2.912 2.166 3.526 . 0 0 "[ . 1]" 1
161 1 10 ARG H 1 11 LEU H 2.600 . 3.400 2.628 2.434 2.840 . 0 0 "[ . 1]" 1
162 1 10 ARG H 1 11 LEU HG 4.500 . 6.000 4.179 4.019 4.587 . 0 0 "[ . 1]" 1
163 1 10 ARG HA 1 10 ARG QB 2.500 . 3.300 2.296 2.168 2.510 . 0 0 "[ . 1]" 1
164 1 10 ARG HA 1 10 ARG QD 4.200 . 6.000 3.864 1.905 4.580 0.095 5 0 "[ . 1]" 1
165 1 10 ARG HA 1 10 ARG HG2 3.700 . 5.400 3.175 2.369 3.834 . 0 0 "[ . 1]" 1
166 1 10 ARG HA 1 10 ARG HG3 3.400 . 4.800 3.549 2.875 3.755 . 0 0 "[ . 1]" 1
167 1 10 ARG HA 1 11 LEU H 3.400 . 4.900 3.473 3.399 3.547 . 0 0 "[ . 1]" 1
168 1 10 ARG HA 1 11 LEU H 2.500 . 3.300 2.762 2.720 2.811 . 0 0 "[ . 1]" 1
169 1 10 ARG HA 1 12 TYR H 3.500 . 5.000 3.226 3.105 3.371 . 0 0 "[ . 1]" 1
170 1 10 ARG HA 1 13 ASP H 3.100 . 4.300 3.322 2.935 3.572 . 0 0 "[ . 1]" 1
171 1 10 ARG HA 1 13 ASP H 3.500 . 5.000 3.466 2.987 3.835 . 0 0 "[ . 1]" 1
172 1 10 ARG HA 1 13 ASP HB2 3.800 . 5.600 3.971 1.971 5.581 0.029 2 0 "[ . 1]" 1
173 1 10 ARG HA 1 13 ASP HB3 3.500 . 5.000 3.248 1.875 4.800 0.125 6 0 "[ . 1]" 1
174 1 10 ARG QB 1 10 ARG QD 3.100 . 4.300 2.266 2.119 2.397 . 0 0 "[ . 1]" 1
175 1 10 ARG QB 1 10 ARG HG2 2.300 . 3.000 2.368 2.293 2.466 . 0 0 "[ . 1]" 1
176 1 10 ARG QB 1 11 LEU H 2.900 . 4.000 2.926 2.646 3.179 . 0 0 "[ . 1]" 1
177 1 10 ARG QB 1 10 ARG HG3 2.300 . 3.000 2.320 2.161 2.420 . 0 0 "[ . 1]" 1
178 1 10 ARG QB 1 11 LEU H 3.000 . 4.100 3.291 2.663 3.788 . 0 0 "[ . 1]" 1
179 1 11 LEU H 1 11 LEU HA 2.900 . 3.900 2.900 2.832 2.948 . 0 0 "[ . 1]" 1
180 1 11 LEU H 1 11 LEU HB2 2.700 . 3.600 2.597 2.364 3.675 0.075 3 0 "[ . 1]" 1
181 1 11 LEU H 1 11 LEU HB3 3.100 . 4.300 3.551 2.876 3.655 . 0 0 "[ . 1]" 1
182 1 11 LEU H 1 11 LEU QD 3.800 . 5.600 3.102 2.898 3.325 . 0 0 "[ . 1]" 1
183 1 11 LEU H 1 11 LEU MD2 4.200 . 6.000 3.364 3.067 3.672 . 0 0 "[ . 1]" 1
184 1 11 LEU H 1 11 LEU HG 2.500 . 3.300 2.326 1.912 2.726 . 0 0 "[ . 1]" 1
185 1 11 LEU HA 1 11 LEU HB2 3.000 . 4.100 2.975 2.468 3.036 . 0 0 "[ . 1]" 1
186 1 11 LEU HA 1 11 LEU HB3 2.600 . 3.400 2.473 2.386 2.541 . 0 0 "[ . 1]" 1
187 1 11 LEU HA 1 11 LEU MD1 3.100 . 4.300 3.837 3.664 3.874 . 0 0 "[ . 1]" 1
188 1 11 LEU HA 1 11 LEU MD2 3.100 . 4.300 2.187 1.906 4.058 . 0 0 "[ . 1]" 1
189 1 11 LEU HA 1 11 LEU HG 3.400 . 4.900 3.182 2.995 3.692 . 0 0 "[ . 1]" 1
190 1 11 LEU HB2 1 11 LEU MD1 3.000 . 4.200 2.322 2.241 2.353 . 0 0 "[ . 1]" 1
191 1 11 LEU HB2 1 11 LEU MD2 3.100 . 4.300 3.150 2.605 3.213 . 0 0 "[ . 1]" 1
192 1 11 LEU HB2 1 11 LEU HG 2.400 . 3.100 2.511 2.435 3.008 . 0 0 "[ . 1]" 1
193 1 11 LEU HB2 1 12 TYR H 3.100 . 4.300 2.806 2.389 3.798 . 0 0 "[ . 1]" 1
194 1 11 LEU HB3 1 11 LEU MD1 2.900 . 3.900 2.454 2.345 3.163 . 0 0 "[ . 1]" 1
195 1 11 LEU HB3 1 11 LEU MD2 2.800 . 3.800 2.375 2.167 2.426 . 0 0 "[ . 1]" 1
196 1 11 LEU HB3 1 11 LEU HG 2.500 . 3.300 2.992 2.625 3.035 . 0 0 "[ . 1]" 1
197 1 11 LEU HB3 1 12 TYR H 3.700 . 5.400 3.792 3.414 4.330 . 0 0 "[ . 1]" 1
198 1 11 LEU MD1 1 11 LEU MD2 2.000 . 2.500 2.090 2.084 2.095 . 0 0 "[ . 1]" 1
199 1 12 TYR H 1 12 TYR HA 3.000 . 4.100 2.947 2.879 2.976 . 0 0 "[ . 1]" 1
200 1 12 TYR H 1 12 TYR HB2 2.800 . 3.800 2.432 2.204 2.581 . 0 0 "[ . 1]" 1
201 1 12 TYR H 1 12 TYR HB3 3.400 . 4.900 3.633 3.418 3.709 . 0 0 "[ . 1]" 1
202 1 12 TYR H 1 12 TYR QD 3.100 . 4.300 2.785 2.330 3.438 . 0 0 "[ . 1]" 1
203 1 12 TYR H 1 13 ASP H 2.400 . 3.100 2.346 2.149 2.712 . 0 0 "[ . 1]" 1
204 1 12 TYR H 1 13 ASP H 2.600 . 3.400 2.157 2.027 2.399 . 0 0 "[ . 1]" 1
205 1 12 TYR HA 1 12 TYR HB2 2.800 . 3.800 3.017 2.924 3.036 . 0 0 "[ . 1]" 1
206 1 12 TYR HA 1 12 TYR HB3 2.800 . 3.800 2.519 2.421 2.764 . 0 0 "[ . 1]" 1
207 1 12 TYR HA 1 12 TYR QD 2.800 . 3.800 2.737 2.184 3.090 . 0 0 "[ . 1]" 1
208 1 12 TYR HA 1 13 ASP H 3.300 . 4.700 3.448 3.023 3.596 . 0 0 "[ . 1]" 1
209 1 12 TYR HB2 1 12 TYR QD 2.800 . 3.800 2.385 2.293 2.551 . 0 0 "[ . 1]" 1
210 1 12 TYR HB2 1 12 TYR QE 4.000 . 6.000 3.942 3.922 3.978 . 0 0 "[ . 1]" 1
211 1 12 TYR HB2 1 13 ASP H 3.400 . 4.800 3.057 2.610 3.895 . 0 0 "[ . 1]" 1
212 1 12 TYR HB2 1 20 ILE MG 3.300 . 4.600 2.962 2.153 4.034 . 0 0 "[ . 1]" 1
213 1 12 TYR HB2 1 20 ILE MD 3.900 . 5.800 3.401 2.811 4.305 . 0 0 "[ . 1]" 1
214 1 12 TYR HB2 1 20 ILE MG 3.200 . 4.400 2.644 2.150 3.092 . 0 0 "[ . 1]" 1
215 1 12 TYR HB2 1 24 VAL QG 3.500 . 5.100 3.550 2.857 4.344 . 0 0 "[ . 1]" 1
216 1 12 TYR HB2 1 28 ILE MD 3.700 . 5.500 3.494 2.735 4.510 . 0 0 "[ . 1]" 1
217 1 12 TYR HB3 1 12 TYR QD 2.900 . 3.900 2.491 2.322 2.697 . 0 0 "[ . 1]" 1
218 1 12 TYR HB3 1 13 ASP H 2.500 . 3.300 2.558 2.344 3.472 0.172 1 0 "[ . 1]" 1
219 1 12 TYR HB3 1 20 ILE MG 3.000 . 4.100 2.783 2.175 3.583 . 0 0 "[ . 1]" 1
220 1 12 TYR HB3 1 20 ILE MD 4.000 . 6.000 3.896 2.556 5.214 . 0 0 "[ . 1]" 1
221 1 12 TYR HB3 1 24 VAL QG 3.400 . 4.800 2.496 1.974 3.382 0.026 5 0 "[ . 1]" 1
222 1 12 TYR QD 1 24 VAL QG 3.100 . 4.300 2.463 1.889 3.335 0.111 3 0 "[ . 1]" 1
223 1 12 TYR QD 1 28 ILE MD 3.400 . 4.900 3.013 2.474 3.492 . 0 0 "[ . 1]" 1
224 1 12 TYR QE 1 31 GLU HG2 3.200 . 6.000 4.354 3.253 5.432 . 0 0 "[ . 1]" 1
225 1 12 TYR QE 1 24 VAL QG 3.300 . 4.700 3.286 2.438 4.165 . 0 0 "[ . 1]" 1
226 1 12 TYR QE 1 28 ILE MD 3.600 . 5.200 3.384 2.561 4.213 . 0 0 "[ . 1]" 1
227 1 12 TYR QE 1 28 ILE HG12 3.400 . 4.800 2.863 2.100 3.430 . 0 0 "[ . 1]" 1
228 1 12 TYR QE 1 28 ILE MG 3.000 . 4.100 3.390 2.628 4.136 0.036 6 0 "[ . 1]" 1
229 1 13 ASP H 1 13 ASP HB2 2.800 . 3.800 2.766 2.412 3.641 . 0 0 "[ . 1]" 1
230 1 13 ASP H 1 20 ILE MG 3.600 . 5.300 3.765 3.139 4.466 . 0 0 "[ . 1]" 1
231 1 13 ASP HA 1 14 LYS H 2.700 . 3.600 2.636 2.075 3.564 . 0 0 "[ . 1]" 1
232 1 13 ASP HB2 1 20 ILE MG 3.300 . 4.700 3.326 1.722 4.931 0.231 1 0 "[ . 1]" 1
233 1 14 LYS H 1 14 LYS HA 2.900 . 4.000 2.866 2.707 2.921 . 0 0 "[ . 1]" 1
234 1 14 LYS H 1 14 LYS QB 2.700 . 3.600 2.394 2.163 2.722 . 0 0 "[ . 1]" 1
235 1 14 LYS H 1 14 LYS QG 3.000 . 4.100 2.750 1.901 3.987 . 0 0 "[ . 1]" 1
236 1 14 LYS H 1 15 GLU H 3.300 . 4.600 2.640 2.472 3.092 . 0 0 "[ . 1]" 1
237 1 14 LYS H 1 15 GLU H 2.500 . 3.300 2.283 2.005 2.573 . 0 0 "[ . 1]" 1
238 1 14 LYS HA 1 14 LYS QB 2.600 . 3.400 2.319 2.177 2.505 . 0 0 "[ . 1]" 1
239 1 14 LYS HA 1 14 LYS QD 3.500 . 5.000 3.520 2.011 4.499 . 0 0 "[ . 1]" 1
240 1 14 LYS HA 1 14 LYS QG 2.900 . 3.900 2.828 2.330 3.355 . 0 0 "[ . 1]" 1
241 1 14 LYS HA 1 15 GLU H 3.500 . 5.000 3.497 3.264 3.585 . 0 0 "[ . 1]" 1
242 1 14 LYS QB 1 14 LYS QD 2.400 . 3.100 2.243 2.125 2.376 . 0 0 "[ . 1]" 1
243 1 14 LYS QB 1 14 LYS QE 4.400 . 6.000 3.379 1.957 3.880 0.043 7 0 "[ . 1]" 1
244 1 14 LYS QB 1 15 GLU H 2.800 . 3.800 3.012 2.336 3.465 . 0 0 "[ . 1]" 1
245 1 14 LYS QB 1 15 GLU HA 4.100 . 6.000 4.190 3.728 4.581 . 0 0 "[ . 1]" 1
246 1 14 LYS QB 1 15 GLU QG 3.300 . 4.700 3.179 2.567 4.513 . 0 0 "[ . 1]" 1
247 1 14 LYS HB2 1 16 GLY HA3 4.000 . 6.000 4.068 2.378 5.346 . 0 0 "[ . 1]" 1
248 1 14 LYS QE 1 14 LYS QG 3.400 . 4.800 2.319 2.124 2.412 . 0 0 "[ . 1]" 1
249 1 15 GLU H 1 15 GLU HA 2.800 . 3.800 2.935 2.814 2.989 . 0 0 "[ . 1]" 1
250 1 15 GLU H 1 15 GLU HB2 2.400 . 3.100 2.648 2.124 3.942 0.842 5 1 "[ + 1]" 1
251 1 15 GLU H 1 15 GLU HB3 3.500 . 5.100 3.658 3.402 3.859 . 0 0 "[ . 1]" 1
252 1 15 GLU H 1 15 GLU QG 2.700 . 3.600 2.801 2.421 3.245 . 0 0 "[ . 1]" 1
253 1 15 GLU H 1 16 GLY H 3.000 . 4.100 2.783 2.031 4.152 0.052 1 0 "[ . 1]" 1
254 1 15 GLU HA 1 15 GLU HB3 2.500 . 3.300 2.510 2.415 2.743 . 0 0 "[ . 1]" 1
255 1 15 GLU HA 1 15 GLU QG 2.700 . 3.600 2.753 2.371 3.360 . 0 0 "[ . 1]" 1
256 1 15 GLU HA 1 16 GLY H 3.500 . 5.100 3.012 2.145 3.597 . 0 0 "[ . 1]" 1
257 1 15 GLU HA 1 16 GLY H 2.700 . 3.600 2.571 2.097 2.807 . 0 0 "[ . 1]" 1
258 1 15 GLU HA 1 16 GLY H 3.300 . 4.600 2.815 2.130 3.208 . 0 0 "[ . 1]" 1
259 1 15 GLU HB2 1 15 GLU QG 2.400 . 3.100 2.277 2.172 2.419 . 0 0 "[ . 1]" 1
260 1 15 GLU HB2 1 16 GLY H 3.500 . 5.000 3.722 2.616 4.600 . 0 0 "[ . 1]" 1
261 1 15 GLU HB3 1 15 GLU QG 2.000 . 2.500 2.325 2.174 2.406 . 0 0 "[ . 1]" 1
262 1 16 GLY H 1 16 GLY HA2 2.700 . 3.600 2.720 2.351 2.988 . 0 0 "[ . 1]" 1
263 1 16 GLY H 1 16 GLY HA3 2.800 . 3.800 2.668 2.305 2.987 . 0 0 "[ . 1]" 1
264 1 16 GLY H 1 17 ASN H 3.300 . 4.700 3.028 1.823 4.512 0.077 6 0 "[ . 1]" 1
265 1 16 GLY HA2 1 17 ASN H 3.900 . 5.800 2.969 2.399 3.581 . 0 0 "[ . 1]" 1
266 1 16 GLY HA3 1 17 ASN H 3.800 . 5.600 3.037 2.137 3.575 . 0 0 "[ . 1]" 1
267 1 17 ASN H 1 17 ASN HB2 3.600 . 5.200 3.097 2.352 3.626 . 0 0 "[ . 1]" 1
268 1 17 ASN H 1 17 ASN QB 3.300 . 4.600 2.932 2.323 3.406 . 0 0 "[ . 1]" 1
269 1 17 ASN H 1 17 ASN HB3 4.000 . 6.000 3.827 2.882 4.152 . 0 0 "[ . 1]" 1
270 1 17 ASN H 1 18 GLY H 3.500 . 5.000 3.018 2.067 4.404 . 0 0 "[ . 1]" 1
271 1 17 ASN QB 1 19 TYR H 3.600 . 5.300 3.696 2.166 5.311 0.011 2 0 "[ . 1]" 1
272 1 17 ASN HB2 1 17 ASN HD21 4.000 . 6.000 2.679 2.245 3.021 . 0 0 "[ . 1]" 1
273 1 17 ASN HB2 1 17 ASN HD22 4.100 . 6.000 3.700 3.508 3.859 . 0 0 "[ . 1]" 1
274 1 17 ASN HB2 1 19 TYR H 4.300 . 6.000 4.114 2.196 6.179 0.179 2 0 "[ . 1]" 1
275 1 17 ASN HB2 1 19 TYR QR 4.000 . 6.000 4.229 2.887 5.964 . 0 0 "[ . 1]" 1
276 1 17 ASN HB3 1 17 ASN HD21 3.700 . 5.400 2.775 2.228 3.536 . 0 0 "[ . 1]" 1
277 1 17 ASN HB3 1 19 TYR H 4.100 . 6.000 4.324 2.625 5.789 . 0 0 "[ . 1]" 1
278 1 17 ASN HB3 1 19 TYR QR 3.700 . 5.400 3.851 2.066 5.780 0.380 9 0 "[ . 1]" 1
279 1 18 GLY H 1 19 TYR H 3.000 . 4.100 2.705 1.987 4.265 0.165 10 0 "[ . 1]" 1
280 1 18 GLY HA2 1 19 TYR H 3.700 . 5.400 3.234 2.182 3.582 . 0 0 "[ . 1]" 1
281 1 18 GLY HA3 1 19 TYR H 3.500 . 5.000 3.127 2.532 3.537 . 0 0 "[ . 1]" 1
282 1 19 TYR HA 1 19 TYR HB2 3.000 . 4.100 2.881 2.492 3.043 . 0 0 "[ . 1]" 1
283 1 19 TYR HA 1 19 TYR HB3 2.800 . 3.800 2.436 2.337 2.592 . 0 0 "[ . 1]" 1
284 1 19 TYR HA 1 19 TYR QD 4.200 . 6.000 3.092 2.401 3.769 . 0 0 "[ . 1]" 1
285 1 19 TYR HA 1 20 ILE H 2.500 . 3.300 2.265 2.131 2.710 . 0 0 "[ . 1]" 1
286 1 19 TYR HA 1 20 ILE HG13 4.800 . 6.000 5.018 4.826 5.266 . 0 0 "[ . 1]" 1
287 1 19 TYR HA 1 57 ASP HA 2.800 . 3.800 2.768 1.836 3.919 0.119 2 0 "[ . 1]" 1
288 1 19 TYR HA 1 58 PHE H 3.900 . 5.800 4.671 3.999 5.670 . 0 0 "[ . 1]" 1
289 1 19 TYR HB2 1 19 TYR QD 2.900 . 4.000 2.388 2.283 2.485 . 0 0 "[ . 1]" 1
290 1 19 TYR HB2 1 20 ILE H 3.300 . 4.600 3.836 2.882 4.510 . 0 0 "[ . 1]" 1
291 1 19 TYR HB2 1 55 THR HA 3.700 . 5.400 4.236 2.942 5.422 0.022 1 0 "[ . 1]" 1
292 1 19 TYR HB2 1 55 THR HB 3.100 . 4.300 3.365 1.900 4.431 0.131 10 0 "[ . 1]" 1
293 1 19 TYR HB2 1 55 THR MG 4.300 . 6.000 3.685 3.002 4.794 . 0 0 "[ . 1]" 1
294 1 19 TYR HB2 1 56 VAL MG2 4.600 . 6.000 5.587 5.009 6.255 0.255 10 0 "[ . 1]" 1
295 1 19 TYR HB3 1 19 TYR QD 2.900 . 3.900 2.463 2.357 2.659 . 0 0 "[ . 1]" 1
296 1 19 TYR HB3 1 19 TYR QE 4.100 . 6.000 4.443 4.417 4.494 . 0 0 "[ . 1]" 1
297 1 19 TYR HB3 1 20 ILE H 3.200 . 4.500 3.679 2.081 4.179 . 0 0 "[ . 1]" 1
298 1 19 TYR HB3 1 55 THR HB 3.200 . 4.500 2.904 1.836 4.092 0.064 6 0 "[ . 1]" 1
299 1 19 TYR HB3 1 55 THR MG 4.400 . 6.000 3.461 2.526 4.597 . 0 0 "[ . 1]" 1
300 1 19 TYR HB3 1 55 THR HA 3.500 . 5.000 3.360 2.296 4.309 . 0 0 "[ . 1]" 1
301 1 19 TYR HB3 1 55 THR HB 3.000 . 4.100 3.022 1.837 4.417 0.317 2 0 "[ . 1]" 1
302 1 19 TYR HB3 1 55 THR MG 4.300 . 6.000 3.708 2.548 5.079 . 0 0 "[ . 1]" 1
303 1 19 TYR HB3 1 56 VAL H 4.000 . 6.000 4.540 3.515 5.923 . 0 0 "[ . 1]" 1
304 1 19 TYR QR 1 57 ASP HB2 3.400 . 4.900 3.716 2.526 4.863 . 0 0 "[ . 1]" 1
305 1 19 TYR QD 1 20 ILE H 4.100 . 6.000 4.425 3.966 4.896 . 0 0 "[ . 1]" 1
306 1 19 TYR QD 1 55 THR HA 4.100 . 6.000 3.199 1.957 4.235 0.043 6 0 "[ . 1]" 1
307 1 19 TYR QD 1 55 THR HB 3.100 . 4.300 3.340 2.279 4.381 0.081 2 0 "[ . 1]" 1
308 1 19 TYR QD 1 55 THR MG 3.200 . 4.400 3.544 2.464 4.519 0.119 6 0 "[ . 1]" 1
309 1 20 ILE H 1 20 ILE HG12 2.800 . 3.800 2.071 1.858 2.424 . 0 0 "[ . 1]" 1
310 1 20 ILE H 1 20 ILE HG13 3.100 . 4.300 2.951 2.856 3.098 . 0 0 "[ . 1]" 1
311 1 20 ILE H 1 20 ILE MG 3.700 . 5.400 2.656 2.246 3.129 . 0 0 "[ . 1]" 1
312 1 20 ILE H 1 55 THR HB 3.900 . 5.800 4.869 4.521 5.788 . 0 0 "[ . 1]" 1
313 1 20 ILE H 1 56 VAL H 3.100 . 4.300 3.446 2.920 4.115 . 0 0 "[ . 1]" 1
314 1 20 ILE H 1 56 VAL H 3.400 . 4.800 3.294 2.883 3.755 . 0 0 "[ . 1]" 1
315 1 20 ILE H 1 56 VAL HB 3.600 . 5.200 3.350 2.625 3.992 . 0 0 "[ . 1]" 1
316 1 20 ILE H 1 56 VAL MG2 4.300 . 6.000 3.844 3.648 3.974 . 0 0 "[ . 1]" 1
317 1 20 ILE HA 1 20 ILE HB 2.700 . 3.600 2.487 2.458 2.521 . 0 0 "[ . 1]" 1
318 1 20 ILE HA 1 20 ILE MD 5.100 . 6.000 4.196 4.183 4.204 . 0 0 "[ . 1]" 1
319 1 20 ILE HA 1 20 ILE HG12 4.100 . 6.000 3.737 3.707 3.765 . 0 0 "[ . 1]" 1
320 1 20 ILE HA 1 20 ILE HG13 4.200 . 6.000 3.716 3.692 3.737 . 0 0 "[ . 1]" 1
321 1 20 ILE HA 1 20 ILE MG 2.600 . 3.400 2.328 2.282 2.375 . 0 0 "[ . 1]" 1
322 1 20 ILE HA 1 21 SER H 2.200 . 2.800 2.168 2.113 2.294 . 0 0 "[ . 1]" 1
323 1 20 ILE HA 1 22 THR H 2.600 . 6.000 6.102 6.045 6.140 0.140 3 0 "[ . 1]" 1
324 1 20 ILE HA 1 24 VAL HB 3.300 . 6.000 4.872 4.092 5.723 . 0 0 "[ . 1]" 1
325 1 20 ILE HA 1 24 VAL QG 3.100 . 4.300 3.901 3.405 4.144 . 0 0 "[ . 1]" 1
326 1 20 ILE HA 1 55 THR HB 3.300 . 6.000 5.797 5.102 6.140 0.140 3 0 "[ . 1]" 1
327 1 20 ILE HB 1 20 ILE MD 2.800 . 3.800 2.404 2.336 2.431 . 0 0 "[ . 1]" 1
328 1 20 ILE HB 1 20 ILE HG13 2.700 . 3.600 2.481 2.467 2.500 . 0 0 "[ . 1]" 1
329 1 20 ILE HB 1 21 SER H 2.500 . 3.300 2.856 2.605 2.980 . 0 0 "[ . 1]" 1
330 1 20 ILE HB 1 24 VAL HB 2.800 . 3.800 2.928 2.474 3.925 0.125 1 0 "[ . 1]" 1
331 1 20 ILE HB 1 24 VAL QG 3.300 . 4.400 2.735 1.824 3.123 0.176 1 0 "[ . 1]" 1
332 1 20 ILE MD 1 20 ILE MG 1.900 . 2.300 1.949 1.873 2.072 . 0 0 "[ . 1]" 1
333 1 20 ILE MD 1 21 SER HB2 3.300 . 4.700 3.394 2.793 3.858 . 0 0 "[ . 1]" 1
334 1 20 ILE MD 1 24 VAL HB 3.100 . 4.300 3.256 2.197 4.337 0.037 1 0 "[ . 1]" 1
335 1 20 ILE MD 1 24 VAL QG 2.600 . 3.400 2.908 1.842 3.346 0.058 1 0 "[ . 1]" 1
336 1 20 ILE MD 1 25 MET H 3.900 . 5.800 3.851 3.460 4.125 . 0 0 "[ . 1]" 1
337 1 20 ILE MD 1 25 MET HA 3.300 . 4.700 3.417 2.798 3.919 . 0 0 "[ . 1]" 1
338 1 20 ILE MD 1 25 MET HB2 3.900 . 5.800 3.112 2.476 3.854 . 0 0 "[ . 1]" 1
339 1 20 ILE MD 1 25 MET HB3 3.600 . 5.200 4.562 3.939 5.195 . 0 0 "[ . 1]" 1
340 1 20 ILE MD 1 25 MET ME 3.600 . 5.200 3.708 1.786 5.146 0.214 5 0 "[ . 1]" 1
341 1 20 ILE MD 1 28 ILE HB 4.000 . 6.000 4.732 4.133 5.147 . 0 0 "[ . 1]" 1
342 1 20 ILE MD 1 56 VAL HB 3.900 . 5.800 3.180 2.771 3.896 . 0 0 "[ . 1]" 1
343 1 20 ILE MD 1 56 VAL MG2 2.700 . 6.000 3.815 3.123 4.802 . 0 0 "[ . 1]" 1
344 1 20 ILE MD 1 61 PHE QE 3.900 . 5.800 3.715 3.376 4.115 . 0 0 "[ . 1]" 1
345 1 20 ILE HG12 1 20 ILE MG 3.100 . 4.300 2.386 2.359 2.417 . 0 0 "[ . 1]" 1
346 1 20 ILE HG12 1 24 VAL HB 4.600 . 6.000 5.425 4.703 6.704 0.704 1 1 "[+ . 1]" 1
347 1 20 ILE HG12 1 24 VAL QG 4.100 . 6.000 4.823 3.839 5.240 . 0 0 "[ . 1]" 1
348 1 20 ILE HG12 1 25 MET HB2 4.400 . 6.000 5.125 4.368 5.783 . 0 0 "[ . 1]" 1
349 1 20 ILE HG12 1 56 VAL HB 3.000 . 4.200 2.889 1.944 4.158 . 0 0 "[ . 1]" 1
350 1 20 ILE HG12 1 56 VAL MG1 3.400 . 4.800 3.674 2.954 4.818 0.018 10 0 "[ . 1]" 1
351 1 20 ILE HG12 1 56 VAL MG2 4.200 . 6.000 4.341 3.478 5.363 . 0 0 "[ . 1]" 1
352 1 20 ILE HG13 1 20 ILE MG 3.500 . 5.000 3.216 3.207 3.222 . 0 0 "[ . 1]" 1
353 1 20 ILE HG13 1 21 SER H 3.200 . 4.500 2.854 2.275 3.297 . 0 0 "[ . 1]" 1
354 1 20 ILE HG13 1 56 VAL HB 3.000 . 4.100 2.405 1.881 3.597 0.019 6 0 "[ . 1]" 1
355 1 20 ILE MG 1 21 SER H 4.200 . 6.000 3.720 3.661 3.765 . 0 0 "[ . 1]" 1
356 1 21 SER H 1 21 SER HA 3.000 . 4.100 2.855 2.823 2.882 . 0 0 "[ . 1]" 1
357 1 21 SER H 1 21 SER HB2 2.900 . 3.900 2.601 2.558 2.683 . 0 0 "[ . 1]" 1
358 1 21 SER H 1 21 SER HB3 3.100 . 4.300 3.238 2.416 3.595 . 0 0 "[ . 1]" 1
359 1 21 SER H 1 24 VAL HB 3.600 . 5.200 3.861 3.020 4.601 . 0 0 "[ . 1]" 1
360 1 21 SER H 1 24 VAL HB 3.300 . 4.700 3.794 3.008 4.514 . 0 0 "[ . 1]" 1
361 1 21 SER H 1 24 VAL QG 3.400 . 4.900 2.923 2.284 3.448 . 0 0 "[ . 1]" 1
362 1 21 SER HA 1 21 SER HB2 2.600 . 3.400 2.861 2.434 3.043 . 0 0 "[ . 1]" 1
363 1 21 SER HA 1 21 SER HB3 2.900 . 3.900 2.604 2.384 3.046 . 0 0 "[ . 1]" 1
364 1 21 SER HA 1 22 THR H 2.200 . 2.800 2.164 2.139 2.193 . 0 0 "[ . 1]" 1
365 1 21 SER HA 1 22 THR HA 4.500 . 6.000 4.075 3.705 4.238 . 0 0 "[ . 1]" 1
366 1 21 SER HA 1 22 THR MG 3.500 . 5.000 3.168 2.628 3.680 . 0 0 "[ . 1]" 1
367 1 21 SER HA 1 55 THR MG 3.800 . 5.600 3.291 2.231 4.994 . 0 0 "[ . 1]" 1
368 1 21 SER HB2 1 22 THR H 3.600 . 5.200 3.970 3.892 4.080 . 0 0 "[ . 1]" 1
369 1 21 SER HB2 1 23 ASP H 3.300 . 4.700 3.629 3.047 4.400 . 0 0 "[ . 1]" 1
370 1 21 SER HB2 1 24 VAL H 3.600 . 5.200 3.356 2.391 4.444 . 0 0 "[ . 1]" 1
371 1 21 SER HB2 1 24 VAL HB 4.000 . 6.000 3.724 3.113 4.113 . 0 0 "[ . 1]" 1
372 1 21 SER HB2 1 24 VAL QG 3.900 . 5.800 2.653 1.766 3.769 0.234 2 0 "[ . 1]" 1
373 1 21 SER HB3 1 22 THR H 3.200 . 4.500 3.341 2.944 4.133 . 0 0 "[ . 1]" 1
374 1 21 SER HB3 1 23 ASP H 2.800 . 3.800 3.076 2.757 3.563 . 0 0 "[ . 1]" 1
375 1 22 THR H 1 22 THR HA 2.700 . 3.600 2.825 2.795 2.846 . 0 0 "[ . 1]" 1
376 1 22 THR H 1 22 THR HB 3.700 . 5.400 3.583 3.568 3.605 . 0 0 "[ . 1]" 1
377 1 22 THR H 1 22 THR MG 2.300 . 3.000 2.431 2.330 2.542 . 0 0 "[ . 1]" 1
378 1 22 THR H 1 23 ASP H 2.700 . 3.600 2.693 2.620 2.785 . 0 0 "[ . 1]" 1
379 1 22 THR H 1 55 THR HA 3.600 . 5.200 3.584 2.375 4.322 . 0 0 "[ . 1]" 1
380 1 22 THR H 1 56 VAL MG2 3.900 . 5.800 3.803 3.305 4.800 . 0 0 "[ . 1]" 1
381 1 22 THR HA 1 22 THR HB 2.400 . 3.100 2.578 2.543 2.626 . 0 0 "[ . 1]" 1
382 1 22 THR HA 1 22 THR MG 2.600 . 3.400 2.250 2.086 2.327 . 0 0 "[ . 1]" 1
383 1 22 THR HA 1 23 ASP H 3.400 . 4.800 3.484 3.423 3.519 . 0 0 "[ . 1]" 1
384 1 22 THR HA 1 25 MET H 3.200 . 4.500 2.863 2.639 3.099 . 0 0 "[ . 1]" 1
385 1 22 THR HA 1 25 MET H 3.100 . 4.300 3.041 2.725 3.429 . 0 0 "[ . 1]" 1
386 1 22 THR HA 1 25 MET HB2 2.900 . 4.000 2.988 2.673 3.538 . 0 0 "[ . 1]" 1
387 1 22 THR HA 1 25 MET HB3 2.800 . 3.800 2.691 2.252 3.243 . 0 0 "[ . 1]" 1
388 1 22 THR HA 1 25 MET QG 4.600 . 6.000 4.274 3.672 5.021 . 0 0 "[ . 1]" 1
389 1 22 THR HA 1 45 ILE MD 3.900 . 5.800 3.614 2.908 4.184 . 0 0 "[ . 1]" 1
390 1 22 THR HA 1 45 ILE MG 4.200 . 6.000 3.580 3.048 3.940 . 0 0 "[ . 1]" 1
391 1 22 THR HA 1 56 VAL MG2 2.900 . 4.000 2.800 2.198 3.928 . 0 0 "[ . 1]" 1
392 1 22 THR HB 1 22 THR MG 2.300 . 3.000 2.132 2.097 2.146 . 0 0 "[ . 1]" 1
393 1 22 THR HB 1 23 ASP H 3.700 . 5.400 3.780 3.567 3.932 . 0 0 "[ . 1]" 1
394 1 22 THR HB 1 25 MET HB2 3.700 . 5.400 5.031 4.516 5.673 0.273 9 0 "[ . 1]" 1
395 1 22 THR HB 1 25 MET HB3 4.300 . 6.000 3.679 3.316 4.408 . 0 0 "[ . 1]" 1
396 1 22 THR HB 1 26 ARG HB2 4.500 . 6.000 4.955 4.259 5.810 . 0 0 "[ . 1]" 1
397 1 22 THR HB 1 45 ILE HB 3.300 . 4.600 2.906 1.992 3.434 0.008 4 0 "[ . 1]" 1
398 1 22 THR HB 1 45 ILE MD 3.000 . 4.100 2.950 2.147 3.949 . 0 0 "[ . 1]" 1
399 1 22 THR HB 1 45 ILE HG13 4.000 . 6.000 4.023 3.031 4.928 . 0 0 "[ . 1]" 1
400 1 22 THR HB 1 45 ILE MG 2.600 . 3.400 1.905 1.719 2.697 0.081 7 0 "[ . 1]" 1
401 1 22 THR MG 1 23 ASP H 4.700 . 6.000 4.150 4.046 4.214 . 0 0 "[ . 1]" 1
402 1 22 THR MG 1 25 MET HB3 4.400 . 6.000 3.889 3.432 4.465 . 0 0 "[ . 1]" 1
403 1 22 THR MG 1 25 MET HB3 4.000 . 6.000 3.761 3.395 4.251 . 0 0 "[ . 1]" 1
404 1 22 THR MG 1 45 ILE MD 3.300 . 4.700 3.186 2.418 3.892 . 0 0 "[ . 1]" 1
405 1 22 THR MG 1 49 ASP H 3.300 . 4.600 3.177 2.087 3.907 . 0 0 "[ . 1]" 1
406 1 22 THR MG 1 49 ASP QB 2.900 . 3.900 2.758 1.706 3.794 0.194 6 0 "[ . 1]" 1
407 1 22 THR MG 1 52 GLY H 4.000 . 6.000 5.727 5.291 6.129 0.129 6 0 "[ . 1]" 1
408 1 22 THR MG 1 54 GLY HA2 3.400 . 4.800 2.894 1.991 4.894 0.094 7 0 "[ . 1]" 1
409 1 22 THR MG 1 54 GLY HA3 3.300 . 4.600 3.381 2.389 4.583 . 0 0 "[ . 1]" 1
410 1 22 THR MG 1 55 THR H 3.700 . 5.400 3.716 3.118 4.737 . 0 0 "[ . 1]" 1
411 1 22 THR MG 1 56 VAL H 4.200 . 6.000 3.391 3.003 3.773 . 0 0 "[ . 1]" 1
412 1 22 THR MG 1 56 VAL H 3.600 . 5.200 3.160 2.891 3.385 . 0 0 "[ . 1]" 1
413 1 22 THR MG 1 56 VAL HA 4.500 . 6.000 4.253 3.578 4.642 . 0 0 "[ . 1]" 1
414 1 22 THR MG 1 56 VAL MG2 2.500 . 3.300 2.029 1.780 2.430 . 0 0 "[ . 1]" 1
415 1 23 ASP H 1 23 ASP HA 2.500 . 3.300 2.839 2.789 2.889 . 0 0 "[ . 1]" 1
416 1 23 ASP H 1 23 ASP HB2 2.500 . 3.300 2.548 2.287 2.674 . 0 0 "[ . 1]" 1
417 1 23 ASP H 1 23 ASP HB3 2.600 . 3.500 2.820 2.348 3.616 0.116 4 0 "[ . 1]" 1
418 1 23 ASP H 1 24 VAL H 2.400 . 3.100 2.665 2.503 2.848 . 0 0 "[ . 1]" 1
419 1 23 ASP HA 1 23 ASP HB2 3.000 . 4.100 2.624 2.383 3.040 . 0 0 "[ . 1]" 1
420 1 23 ASP HA 1 23 ASP HB3 2.600 . 3.400 2.868 2.407 3.045 . 0 0 "[ . 1]" 1
421 1 23 ASP HA 1 24 VAL H 3.300 . 4.600 2.798 1.964 3.497 0.036 7 0 "[ . 1]" 1
422 1 23 ASP HA 1 26 ARG QD 3.200 . 4.500 2.982 1.852 3.972 0.048 3 0 "[ . 1]" 1
423 1 23 ASP HA 1 26 ARG QG 2.800 . 3.800 2.814 2.254 3.338 . 0 0 "[ . 1]" 1
424 1 23 ASP HB2 1 24 VAL H 3.000 . 4.100 3.498 2.449 3.974 . 0 0 "[ . 1]" 1
425 1 23 ASP HB2 1 24 VAL QG 3.500 . 5.100 4.150 2.824 5.029 . 0 0 "[ . 1]" 1
426 1 23 ASP HB3 1 24 VAL H 3.600 . 5.200 2.915 2.303 3.798 . 0 0 "[ . 1]" 1
427 1 23 ASP HB3 1 24 VAL QG 3.300 . 4.700 3.464 2.885 4.112 . 0 0 "[ . 1]" 1
428 1 24 VAL H 1 24 VAL HA 2.900 . 3.900 2.875 2.850 2.901 . 0 0 "[ . 1]" 1
429 1 24 VAL H 1 24 VAL HB 2.300 . 3.000 2.564 2.411 2.669 . 0 0 "[ . 1]" 1
430 1 24 VAL H 1 24 VAL QG 2.400 . 3.100 1.999 1.820 2.186 0.180 10 0 "[ . 1]" 1
431 1 24 VAL H 1 25 MET H 2.500 . 3.300 2.547 2.449 2.656 . 0 0 "[ . 1]" 1
432 1 24 VAL HA 1 24 VAL HB 2.900 . 4.000 2.991 2.536 3.047 . 0 0 "[ . 1]" 1
433 1 24 VAL HA 1 24 VAL QG 2.700 . 3.300 2.163 2.152 2.205 . 0 0 "[ . 1]" 1
434 1 24 VAL HA 1 25 MET H 3.800 . 5.600 3.531 3.490 3.557 . 0 0 "[ . 1]" 1
435 1 24 VAL HA 1 27 GLU H 3.100 . 4.300 3.066 2.981 3.208 . 0 0 "[ . 1]" 1
436 1 24 VAL HA 1 27 GLU H 3.400 . 4.800 3.368 3.238 3.663 . 0 0 "[ . 1]" 1
437 1 24 VAL HA 1 27 GLU QB 3.000 . 4.200 3.060 2.601 3.721 . 0 0 "[ . 1]" 1
438 1 24 VAL HA 1 27 GLU QG 3.700 . 5.400 4.076 2.410 5.408 0.008 3 0 "[ . 1]" 1
439 1 24 VAL HB 1 25 MET H 2.700 . 3.600 2.819 2.493 3.867 0.267 1 0 "[ . 1]" 1
440 1 24 VAL HB 1 27 GLU H 3.200 . 6.000 5.294 5.152 5.486 . 0 0 "[ . 1]" 1
441 1 24 VAL HB 1 28 ILE H 3.300 . 4.700 4.650 4.307 4.835 0.135 4 0 "[ . 1]" 1
442 1 24 VAL MG1 1 24 VAL MG2 2.200 . 2.800 2.089 2.069 2.098 . 0 0 "[ . 1]" 1
443 1 24 VAL QG 1 25 MET H 4.100 . 6.000 3.172 2.095 3.415 . 0 0 "[ . 1]" 1
444 1 24 VAL QG 1 25 MET HA 4.000 . 6.000 3.531 2.975 3.752 . 0 0 "[ . 1]" 1
445 1 24 VAL QG 1 25 MET HB3 3.800 . 5.600 3.184 2.844 3.689 . 0 0 "[ . 1]" 1
446 1 24 VAL QG 1 25 MET HB3 4.000 . 6.000 2.430 2.095 3.073 . 0 0 "[ . 1]" 1
447 1 24 VAL QG 1 26 ARG H 3.400 . 4.800 3.234 2.166 3.800 . 0 0 "[ . 1]" 1
448 1 24 VAL QG 1 28 ILE HB 4.600 . 6.000 4.513 3.914 5.249 . 0 0 "[ . 1]" 1
449 1 24 VAL QG 1 28 ILE MD 2.500 . 3.300 2.375 1.942 3.037 . 0 0 "[ . 1]" 1
450 1 24 VAL QG 1 28 ILE HG12 3.800 . 5.600 3.370 3.051 3.877 . 0 0 "[ . 1]" 1
451 1 25 MET H 1 25 MET HB2 2.600 . 3.400 2.536 2.460 2.614 . 0 0 "[ . 1]" 1
452 1 25 MET H 1 25 MET HB3 2.700 . 3.600 2.528 2.470 2.609 . 0 0 "[ . 1]" 1
453 1 25 MET H 1 26 ARG H 3.000 . 4.100 2.658 2.482 2.768 . 0 0 "[ . 1]" 1
454 1 25 MET HA 1 25 MET HB2 2.900 . 4.000 2.218 2.137 2.342 . 0 0 "[ . 1]" 1
455 1 25 MET HA 1 25 MET HB3 3.000 . 4.100 3.036 3.033 3.039 . 0 0 "[ . 1]" 1
456 1 25 MET HA 1 25 MET ME 3.200 . 4.500 3.025 2.133 4.174 . 0 0 "[ . 1]" 1
457 1 25 MET HA 1 25 MET QG 3.900 . 4.500 2.710 2.358 3.053 . 0 0 "[ . 1]" 1
458 1 25 MET HA 1 26 ARG H 3.800 . 5.600 3.294 3.262 3.351 . 0 0 "[ . 1]" 1
459 1 25 MET HA 1 28 ILE H 3.200 . 4.500 2.931 2.684 3.076 . 0 0 "[ . 1]" 1
460 1 25 MET HA 1 28 ILE HB 2.800 . 3.800 2.551 2.334 2.913 . 0 0 "[ . 1]" 1
461 1 25 MET HA 1 28 ILE MD 3.000 . 4.100 2.190 2.001 2.433 . 0 0 "[ . 1]" 1
462 1 25 MET HA 1 28 ILE HG12 3.900 . 5.800 3.586 3.331 3.773 . 0 0 "[ . 1]" 1
463 1 25 MET HA 1 29 LEU H 2.800 . 3.800 3.834 3.749 3.993 0.193 10 0 "[ . 1]" 1
464 1 25 MET HB2 1 25 MET QG 2.800 . 3.800 2.365 2.327 2.418 . 0 0 "[ . 1]" 1
465 1 25 MET HB2 1 26 ARG H 3.000 . 4.100 4.001 3.903 4.109 0.009 8 0 "[ . 1]" 1
466 1 25 MET HB2 1 29 LEU QD 3.500 . 5.100 3.016 2.302 3.800 . 0 0 "[ . 1]" 1
467 1 25 MET HB2 1 45 ILE MD 3.300 . 4.700 3.758 3.531 4.333 . 0 0 "[ . 1]" 1
468 1 25 MET HB2 1 45 ILE MD 2.900 . 4.000 3.161 2.754 3.709 . 0 0 "[ . 1]" 1
469 1 25 MET HB2 1 56 VAL MG1 3.800 . 5.600 4.159 3.634 4.895 . 0 0 "[ . 1]" 1
470 1 25 MET HB2 1 56 VAL MG2 3.100 . 4.300 3.102 2.307 4.322 0.022 10 0 "[ . 1]" 1
471 1 25 MET HB3 1 25 MET ME 2.800 . 3.800 3.733 1.968 4.282 0.482 7 0 "[ . 1]" 1
472 1 25 MET HB3 1 26 ARG H 3.400 . 4.900 2.720 2.615 2.981 . 0 0 "[ . 1]" 1
473 1 25 MET HB3 1 26 ARG H 3.900 . 5.800 2.804 2.678 3.093 . 0 0 "[ . 1]" 1
474 1 25 MET HB3 1 29 LEU H 2.200 . 6.000 4.543 4.462 4.634 . 0 0 "[ . 1]" 1
475 1 25 MET HB3 1 29 LEU MD1 3.500 . 5.000 3.465 2.702 4.897 . 0 0 "[ . 1]" 1
476 1 25 MET HB3 1 29 LEU MD2 3.200 . 4.500 3.570 2.903 4.098 . 0 0 "[ . 1]" 1
477 1 25 MET HB3 1 56 VAL MG2 3.100 . 4.300 3.676 2.958 4.297 . 0 0 "[ . 1]" 1
478 1 25 MET ME 1 25 MET QG 2.900 . 3.900 2.298 2.206 2.513 . 0 0 "[ . 1]" 1
479 1 25 MET ME 1 25 MET QG 3.400 . 4.900 2.250 2.142 2.402 . 0 0 "[ . 1]" 1
480 1 25 MET ME 1 26 ARG H 3.900 . 5.800 4.716 4.430 5.097 . 0 0 "[ . 1]" 1
481 1 25 MET ME 1 28 ILE MD 3.400 . 4.800 3.915 2.417 4.817 0.017 4 0 "[ . 1]" 1
482 1 25 MET ME 1 48 ILE MD 2.300 . 3.000 2.138 1.854 2.552 . 0 0 "[ . 1]" 1
483 1 25 MET ME 1 56 VAL MG1 2.900 . 3.900 2.771 1.837 3.812 0.063 9 0 "[ . 1]" 1
484 1 25 MET ME 1 61 PHE HB3 5.100 . 6.000 5.265 4.506 6.776 0.776 8 1 "[ . + 1]" 1
485 1 25 MET ME 1 61 PHE QD 3.200 . 4.500 2.588 1.825 4.433 0.075 5 0 "[ . 1]" 1
486 1 25 MET ME 1 61 PHE QE 3.900 . 5.800 3.319 2.373 5.414 . 0 0 "[ . 1]" 1
487 1 25 MET ME 1 64 VAL QG 3.000 . 4.100 2.537 2.064 3.735 . 0 0 "[ . 1]" 1
488 1 25 MET QG 1 29 LEU H 3.200 . 4.500 3.954 3.696 4.298 . 0 0 "[ . 1]" 1
489 1 25 MET QG 1 29 LEU QD 3.400 . 4.900 2.204 1.806 2.709 0.094 10 0 "[ . 1]" 1
490 1 25 MET QG 1 29 LEU QD 3.100 . 4.300 2.250 1.806 2.751 0.094 10 0 "[ . 1]" 1
491 1 25 MET QG 1 29 LEU MD1 3.600 . 5.200 3.036 1.815 5.071 0.185 10 0 "[ . 1]" 1
492 1 25 MET QG 1 29 LEU QD 3.000 . 4.100 2.354 1.806 2.787 0.094 10 0 "[ . 1]" 1
493 1 25 MET QG 1 29 LEU MD1 3.400 . 4.900 2.825 1.815 4.561 0.085 10 0 "[ . 1]" 1
494 1 25 MET QG 1 64 VAL QG 3.300 . 4.700 3.062 2.156 3.958 . 0 0 "[ . 1]" 1
495 1 25 MET QG 1 45 ILE MD 3.600 . 4.300 2.387 1.895 2.848 0.105 1 0 "[ . 1]" 1
496 1 25 MET QG 1 45 ILE MG 3.400 . 4.800 3.895 3.502 4.285 . 0 0 "[ . 1]" 1
497 1 25 MET QG 1 45 ILE MG 3.600 . 5.200 3.287 2.242 4.258 . 0 0 "[ . 1]" 1
498 1 25 MET QG 1 48 ILE MD 3.600 . 5.200 3.333 2.043 4.594 . 0 0 "[ . 1]" 1
499 1 25 MET QG 1 48 ILE MD 3.000 . 4.100 3.416 2.292 4.015 . 0 0 "[ . 1]" 1
500 1 25 MET QG 1 56 VAL MG1 4.100 . 6.000 4.132 3.347 4.748 . 0 0 "[ . 1]" 1
501 1 25 MET QG 1 56 VAL MG2 3.400 . 4.800 3.246 2.383 3.834 . 0 0 "[ . 1]" 1
502 1 25 MET QG 1 56 VAL MG2 3.200 . 4.500 3.137 2.382 4.122 . 0 0 "[ . 1]" 1
503 1 26 ARG H 1 26 ARG HA 2.900 . 3.900 2.848 2.820 2.899 . 0 0 "[ . 1]" 1
504 1 26 ARG H 1 26 ARG QB 3.000 . 4.100 2.507 2.402 2.853 . 0 0 "[ . 1]" 1
505 1 26 ARG H 1 26 ARG QD 4.700 . 6.000 3.947 3.592 4.354 . 0 0 "[ . 1]" 1
506 1 26 ARG H 1 26 ARG QG 2.200 . 2.800 2.165 1.885 2.353 . 0 0 "[ . 1]" 1
507 1 26 ARG H 1 27 GLU H 2.900 . 3.900 2.674 2.498 2.858 . 0 0 "[ . 1]" 1
508 1 26 ARG H 1 41 LEU QD 3.300 . 4.700 3.730 3.532 4.231 . 0 0 "[ . 1]" 1
509 1 26 ARG H 1 45 ILE MD 3.300 . 4.700 3.428 2.171 4.287 . 0 0 "[ . 1]" 1
510 1 26 ARG HA 1 26 ARG QD 4.400 . 6.000 4.083 3.854 4.261 . 0 0 "[ . 1]" 1
511 1 26 ARG HA 1 26 ARG QG 2.700 . 3.600 2.518 2.335 3.343 . 0 0 "[ . 1]" 1
512 1 26 ARG HA 1 27 GLU H 3.900 . 5.800 3.538 3.460 3.585 . 0 0 "[ . 1]" 1
513 1 26 ARG HA 1 29 LEU HB2 3.200 . 4.500 3.434 2.283 5.272 0.772 4 2 "[ - +. 1]" 1
514 1 26 ARG HA 1 29 LEU HB3 4.100 . 6.000 4.516 3.928 5.083 . 0 0 "[ . 1]" 1
515 1 26 ARG HA 1 29 LEU MD1 3.300 . 4.600 3.053 2.403 3.994 . 0 0 "[ . 1]" 1
516 1 26 ARG HA 1 41 LEU QD 3.100 . 4.000 2.523 2.251 3.534 . 0 0 "[ . 1]" 1
517 1 26 ARG HA 1 45 ILE MD 3.200 . 4.500 3.455 2.712 3.917 . 0 0 "[ . 1]" 1
518 1 26 ARG HB2 1 28 ILE HG13 4.000 . 6.000 4.130 2.157 4.655 . 0 0 "[ . 1]" 1
519 1 26 ARG QB 1 45 ILE HG13 3.300 . 4.600 2.972 2.077 3.589 . 0 0 "[ . 1]" 1
520 1 26 ARG QB 1 41 LEU MD1 3.100 . 4.300 2.386 1.860 3.111 0.040 7 0 "[ . 1]" 1
521 1 26 ARG QB 1 26 ARG QD 2.600 . 3.400 2.260 2.093 2.421 . 0 0 "[ . 1]" 1
522 1 26 ARG QD 1 41 LEU QD 3.900 . 5.800 3.041 2.559 3.499 . 0 0 "[ . 1]" 1
523 1 26 ARG QD 1 45 ILE MD 3.300 . 4.700 4.245 3.232 4.793 0.093 10 0 "[ . 1]" 1
524 1 26 ARG QD 1 45 ILE HG13 3.500 . 5.100 3.082 2.140 3.932 . 0 0 "[ . 1]" 1
525 1 26 ARG QG 1 41 LEU MD1 3.600 . 5.300 3.347 2.631 4.274 . 0 0 "[ . 1]" 1
526 1 26 ARG QG 1 27 GLU H 3.300 . 4.600 3.906 2.731 4.260 . 0 0 "[ . 1]" 1
527 1 26 ARG QG 1 45 ILE MD 3.000 . 4.100 2.838 2.152 3.314 . 0 0 "[ . 1]" 1
528 1 26 ARG QG 1 45 ILE HG13 3.000 . 4.100 2.000 1.790 2.519 0.110 5 0 "[ . 1]" 1
529 1 27 GLU H 1 27 GLU HA 2.900 . 4.000 2.881 2.830 2.915 . 0 0 "[ . 1]" 1
530 1 27 GLU H 1 27 GLU QB 2.500 . 3.300 2.338 2.079 2.574 . 0 0 "[ . 1]" 1
531 1 27 GLU H 1 27 GLU QG 3.300 . 4.700 3.218 1.934 4.015 . 0 0 "[ . 1]" 1
532 1 27 GLU H 1 28 ILE H 2.500 . 3.300 2.548 2.375 2.713 . 0 0 "[ . 1]" 1
533 1 27 GLU HA 1 27 GLU QG 3.400 . 4.900 2.449 2.221 2.661 . 0 0 "[ . 1]" 1
534 1 27 GLU HA 1 28 ILE H 3.500 . 5.000 3.548 3.529 3.564 . 0 0 "[ . 1]" 1
535 1 27 GLU HA 1 30 ALA MB 2.700 . 3.600 2.603 2.348 2.992 . 0 0 "[ . 1]" 1
536 1 27 GLU QB 1 28 ILE H 2.800 . 3.700 2.584 2.394 2.816 . 0 0 "[ . 1]" 1
537 1 28 ILE H 1 28 ILE HA 2.700 . 3.600 2.843 2.804 2.881 . 0 0 "[ . 1]" 1
538 1 28 ILE H 1 28 ILE HB 2.200 . 2.800 2.589 2.533 2.686 . 0 0 "[ . 1]" 1
539 1 28 ILE H 1 28 ILE MD 4.500 . 6.000 3.563 3.483 3.662 . 0 0 "[ . 1]" 1
540 1 28 ILE H 1 28 ILE HG12 2.900 . 4.000 3.273 3.076 3.379 . 0 0 "[ . 1]" 1
541 1 28 ILE H 1 28 ILE HG13 2.400 . 3.100 2.014 1.826 2.119 . 0 0 "[ . 1]" 1
542 1 28 ILE H 1 28 ILE MG 3.800 . 5.600 3.784 3.768 3.808 . 0 0 "[ . 1]" 1
543 1 28 ILE H 1 29 LEU H 2.500 . 3.300 2.744 2.566 2.900 . 0 0 "[ . 1]" 1
544 1 28 ILE HA 1 28 ILE MD 4.700 . 6.000 3.852 3.817 3.882 . 0 0 "[ . 1]" 1
545 1 28 ILE HA 1 28 ILE HG12 2.700 . 3.600 2.546 2.469 2.603 . 0 0 "[ . 1]" 1
546 1 28 ILE HA 1 28 ILE HG13 2.900 . 4.000 3.071 2.989 3.161 . 0 0 "[ . 1]" 1
547 1 28 ILE HA 1 28 ILE MG 2.700 . 3.600 2.396 2.335 2.443 . 0 0 "[ . 1]" 1
548 1 28 ILE HA 1 29 LEU H 3.500 . 5.000 3.571 3.547 3.596 . 0 0 "[ . 1]" 1
549 1 28 ILE HA 1 31 GLU H 3.500 . 5.000 3.539 3.243 3.952 . 0 0 "[ . 1]" 1
550 1 28 ILE HA 1 31 GLU QB 2.900 . 3.900 2.935 2.415 3.933 0.033 2 0 "[ . 1]" 1
551 1 28 ILE HA 1 32 LEU H 4.100 . 6.000 4.530 4.028 5.642 . 0 0 "[ . 1]" 1
552 1 28 ILE HB 1 28 ILE MD 2.800 . 3.800 2.393 2.348 2.425 . 0 0 "[ . 1]" 1
553 1 28 ILE HB 1 28 ILE HG13 2.800 . 3.800 2.469 2.436 2.498 . 0 0 "[ . 1]" 1
554 1 28 ILE HB 1 28 ILE MG 2.200 . 2.800 2.141 2.124 2.145 . 0 0 "[ . 1]" 1
555 1 28 ILE HB 1 29 LEU H 2.600 . 3.400 2.470 2.243 2.677 . 0 0 "[ . 1]" 1
556 1 28 ILE HB 1 29 LEU H 1.900 . 2.400 2.162 2.047 2.401 0.001 2 0 "[ . 1]" 1
557 1 28 ILE HB 1 61 PHE QE 3.600 . 5.200 3.070 2.490 3.788 . 0 0 "[ . 1]" 1
558 1 28 ILE MD 1 28 ILE HG13 2.300 . 3.000 2.129 2.114 2.140 . 0 0 "[ . 1]" 1
559 1 28 ILE MD 1 28 ILE MG 2.400 . 3.100 1.999 1.925 2.101 . 0 0 "[ . 1]" 1
560 1 28 ILE MD 1 61 PHE QE 3.400 . 4.800 2.789 1.964 3.411 0.036 6 0 "[ . 1]" 1
561 1 28 ILE MD 1 61 PHE HZ 4.000 . 6.000 3.811 2.697 4.936 . 0 0 "[ . 1]" 1
562 1 28 ILE HG12 1 28 ILE MG 2.900 . 3.900 2.369 2.338 2.394 . 0 0 "[ . 1]" 1
563 1 28 ILE HG13 1 28 ILE MG 3.000 . 4.100 3.211 3.205 3.215 . 0 0 "[ . 1]" 1
564 1 28 ILE MG 1 29 LEU H 3.700 . 5.400 3.396 3.264 3.567 . 0 0 "[ . 1]" 1
565 1 28 ILE MG 1 29 LEU H 3.000 . 4.200 2.747 1.805 2.932 . 0 0 "[ . 1]" 1
566 1 28 ILE MG 1 29 LEU HA 3.400 . 4.900 3.427 3.117 3.704 . 0 0 "[ . 1]" 1
567 1 28 ILE MG 1 61 PHE QE 3.500 . 5.100 2.736 1.941 3.805 . 0 0 "[ . 1]" 1
568 1 28 ILE MG 1 61 PHE HZ 3.800 . 5.600 3.292 1.980 5.282 0.020 10 0 "[ . 1]" 1
569 1 29 LEU H 1 29 LEU HA 2.900 . 3.900 2.857 2.799 2.921 . 0 0 "[ . 1]" 1
570 1 29 LEU H 1 29 LEU HB2 2.700 . 3.600 2.674 2.279 3.622 0.022 2 0 "[ . 1]" 1
571 1 29 LEU H 1 29 LEU HB3 3.400 . 4.800 3.357 2.350 3.618 . 0 0 "[ . 1]" 1
572 1 29 LEU H 1 29 LEU MD1 4.600 . 6.000 3.539 1.815 4.088 0.185 10 0 "[ . 1]" 1
573 1 29 LEU H 1 29 LEU MD2 3.800 . 5.600 3.345 3.021 3.958 . 0 0 "[ . 1]" 1
574 1 29 LEU H 1 29 LEU HG 2.500 . 3.300 2.513 2.234 3.614 0.314 10 0 "[ . 1]" 1
575 1 29 LEU H 1 30 ALA H 2.500 . 3.300 2.648 2.375 2.912 . 0 0 "[ . 1]" 1
576 1 29 LEU H 1 30 ALA MB 4.500 . 6.000 4.336 4.113 4.571 . 0 0 "[ . 1]" 1
577 1 29 LEU HA 1 29 LEU HB2 2.800 . 3.800 2.877 2.286 3.030 . 0 0 "[ . 1]" 1
578 1 29 LEU HA 1 29 LEU HB3 2.700 . 3.600 2.529 2.485 2.616 . 0 0 "[ . 1]" 1
579 1 29 LEU HA 1 29 LEU MD1 3.700 . 5.400 3.653 2.791 3.856 . 0 0 "[ . 1]" 1
580 1 29 LEU HA 1 29 LEU QD 2.500 . 3.300 2.285 1.935 3.300 . 4 0 "[ . 1]" 1
581 1 29 LEU HA 1 29 LEU MD2 2.500 . 3.300 2.561 1.941 4.125 0.825 2 2 "[ + -. 1]" 1
582 1 29 LEU HA 1 29 LEU HG 3.300 . 4.600 3.132 2.341 3.698 . 0 0 "[ . 1]" 1
583 1 29 LEU HA 1 30 ALA H 3.800 . 5.600 3.540 3.490 3.593 . 0 0 "[ . 1]" 1
584 1 29 LEU HA 1 32 LEU H 3.500 . 5.000 3.329 2.985 3.966 . 0 0 "[ . 1]" 1
585 1 29 LEU HA 1 32 LEU H 3.500 . 5.000 3.123 2.859 3.839 . 0 0 "[ . 1]" 1
586 1 29 LEU HA 1 32 LEU HB2 3.400 . 4.800 3.199 2.341 3.861 . 0 0 "[ . 1]" 1
587 1 29 LEU HA 1 32 LEU HB3 3.200 . 4.400 2.898 2.210 3.875 . 0 0 "[ . 1]" 1
588 1 29 LEU HA 1 33 ASP H 3.100 . 4.300 2.855 2.710 2.963 . 0 0 "[ . 1]" 1
589 1 29 LEU HB2 1 29 LEU MD1 2.200 . 2.800 2.258 1.901 2.352 . 0 0 "[ . 1]" 1
590 1 29 LEU HB2 1 29 LEU QD 2.500 . 3.300 2.191 1.867 2.296 . 0 0 "[ . 1]" 1
591 1 29 LEU HB2 1 29 LEU MD2 2.700 . 3.600 3.032 2.489 3.214 . 0 0 "[ . 1]" 1
592 1 29 LEU HB2 1 30 ALA H 2.800 . 3.800 2.590 2.331 2.801 . 0 0 "[ . 1]" 1
593 1 29 LEU HB2 1 30 ALA HA 3.600 . 5.200 3.713 2.710 4.141 . 0 0 "[ . 1]" 1
594 1 29 LEU HB2 1 30 ALA H 3.000 . 4.100 2.980 2.558 4.287 0.187 4 0 "[ . 1]" 1
595 1 29 LEU HB3 1 29 LEU MD1 3.000 . 4.100 2.602 2.353 3.204 . 0 0 "[ . 1]" 1
596 1 29 LEU HB3 1 29 LEU QD 2.500 . 3.300 2.123 2.093 2.133 . 0 0 "[ . 1]" 1
597 1 29 LEU HB3 1 29 LEU MD2 2.600 . 3.400 2.323 2.121 2.426 . 0 0 "[ . 1]" 1
598 1 29 LEU HB3 1 30 ALA H 3.800 . 5.600 3.677 3.190 3.990 . 0 0 "[ . 1]" 1
599 1 29 LEU HB3 1 36 LEU QD 2.900 . 3.900 2.708 2.011 4.438 0.538 2 1 "[ + . 1]" 1
600 1 29 LEU HB3 1 41 LEU QD 3.000 . 4.100 2.970 2.228 4.048 . 0 0 "[ . 1]" 1
601 1 29 LEU QD 1 29 LEU HG 2.100 . 2.600 1.900 1.876 1.909 . 0 0 "[ . 1]" 1
602 1 29 LEU QD 1 44 MET HB2 3.300 . 4.700 3.192 2.668 3.841 . 0 0 "[ . 1]" 1
603 1 29 LEU QD 1 44 MET HB3 2.900 . 3.900 3.065 2.320 3.912 0.012 10 0 "[ . 1]" 1
604 1 29 LEU QD 1 44 MET ME 2.300 . 3.000 2.525 1.940 3.051 0.051 7 0 "[ . 1]" 1
605 1 29 LEU QD 1 44 MET HG2 4.100 . 6.000 4.298 3.342 5.345 . 0 0 "[ . 1]" 1
606 1 29 LEU MD1 1 44 MET ME 2.900 . 3.900 2.843 1.958 4.468 0.568 10 1 "[ . +]" 1
607 1 29 LEU MD2 1 44 MET ME 3.000 . 4.100 2.478 1.758 3.224 0.142 2 0 "[ . 1]" 1
608 1 30 ALA H 1 30 ALA HA 2.800 . 3.800 2.879 2.845 2.914 . 0 0 "[ . 1]" 1
609 1 30 ALA H 1 30 ALA MB 2.400 . 3.100 2.226 2.074 2.255 . 0 0 "[ . 1]" 1
610 1 30 ALA H 1 31 GLU H 2.900 . 3.900 2.538 2.442 2.674 . 0 0 "[ . 1]" 1
611 1 30 ALA H 1 41 LEU QD 3.400 . 4.800 3.007 2.590 3.484 . 0 0 "[ . 1]" 1
612 1 30 ALA HA 1 30 ALA MB 2.300 . 2.900 2.135 2.098 2.142 . 0 0 "[ . 1]" 1
613 1 30 ALA HA 1 31 GLU H 3.400 . 4.800 3.477 3.430 3.511 . 0 0 "[ . 1]" 1
614 1 30 ALA HA 1 31 GLU H 2.600 . 3.400 2.782 2.750 2.812 . 0 0 "[ . 1]" 1
615 1 30 ALA HA 1 32 LEU H 3.100 . 4.300 3.483 3.171 3.869 . 0 0 "[ . 1]" 1
616 1 30 ALA HA 1 33 ASP H 2.800 . 3.800 3.279 3.079 3.420 . 0 0 "[ . 1]" 1
617 1 30 ALA HA 1 33 ASP H 3.600 . 5.200 3.068 2.964 3.130 . 0 0 "[ . 1]" 1
618 1 30 ALA HA 1 36 LEU QD 3.900 . 5.800 3.030 1.731 4.203 0.269 3 0 "[ . 1]" 1
619 1 30 ALA HA 1 41 LEU QD 3.100 . 3.800 2.994 2.298 3.392 . 0 0 "[ . 1]" 1
620 1 30 ALA MB 1 31 GLU H 2.700 . 3.600 2.857 2.766 2.970 . 0 0 "[ . 1]" 1
621 1 30 ALA MB 1 31 GLU QB 3.800 . 5.600 3.723 3.098 4.053 . 0 0 "[ . 1]" 1
622 1 30 ALA MB 1 41 LEU QD 2.500 . 3.300 2.152 1.798 2.736 0.002 2 0 "[ . 1]" 1
623 1 31 GLU H 1 31 GLU HA 2.700 . 3.600 2.926 2.895 2.967 . 0 0 "[ . 1]" 1
624 1 31 GLU H 1 31 GLU QB 2.100 . 2.700 2.308 2.149 2.610 . 0 0 "[ . 1]" 1
625 1 31 GLU H 1 32 LEU H 2.400 . 3.100 2.355 2.144 2.600 . 0 0 "[ . 1]" 1
626 1 31 GLU HA 1 31 GLU QB 2.300 . 2.900 2.393 2.175 2.516 . 0 0 "[ . 1]" 1
627 1 31 GLU HA 1 32 LEU H 3.200 . 4.500 3.472 3.327 3.553 . 0 0 "[ . 1]" 1
628 1 31 GLU HA 1 33 ASP H 3.500 . 5.000 4.177 3.786 4.583 . 0 0 "[ . 1]" 1
629 1 31 GLU QB 1 32 LEU H 2.700 . 3.600 2.938 2.560 3.599 . 0 0 "[ . 1]" 1
630 1 32 LEU H 1 32 LEU HA 2.800 . 3.800 2.911 2.853 2.959 . 0 0 "[ . 1]" 1
631 1 32 LEU H 1 32 LEU HB2 2.800 . 3.800 2.455 2.300 2.660 . 0 0 "[ . 1]" 1
632 1 32 LEU H 1 32 LEU HB2 2.900 . 3.900 2.416 2.273 2.605 . 0 0 "[ . 1]" 1
633 1 32 LEU H 1 32 LEU HB3 2.400 . 3.100 2.626 2.562 2.714 . 0 0 "[ . 1]" 1
634 1 32 LEU H 1 32 LEU HB3 2.600 . 3.400 2.162 2.034 2.258 . 0 0 "[ . 1]" 1
635 1 32 LEU H 1 32 LEU QD 3.500 . 5.100 3.704 3.609 3.795 . 0 0 "[ . 1]" 1
636 1 32 LEU H 1 32 LEU MD1 4.000 . 6.000 3.476 2.912 3.918 . 0 0 "[ . 1]" 1
637 1 32 LEU H 1 32 LEU MD2 4.300 . 6.000 3.430 3.082 3.756 . 0 0 "[ . 1]" 1
638 1 32 LEU H 1 32 LEU HG 3.500 . 5.000 4.091 4.035 4.151 . 0 0 "[ . 1]" 1
639 1 32 LEU HA 1 32 LEU HB2 2.500 . 3.300 2.554 2.503 2.594 . 0 0 "[ . 1]" 1
640 1 32 LEU HA 1 32 LEU MD1 2.500 . 3.300 3.318 2.812 3.737 0.437 8 0 "[ . 1]" 1
641 1 32 LEU HA 1 32 LEU QD 2.500 . 3.300 2.439 1.878 2.983 . 0 0 "[ . 1]" 1
642 1 32 LEU HA 1 32 LEU MD2 3.400 . 4.800 2.528 1.905 3.167 0.095 4 0 "[ . 1]" 1
643 1 32 LEU HA 1 32 LEU HG 3.400 . 4.900 3.070 2.430 3.713 . 0 0 "[ . 1]" 1
644 1 32 LEU HB2 1 32 LEU MD1 2.700 . 3.600 2.703 2.179 3.218 . 0 0 "[ . 1]" 1
645 1 32 LEU HB2 1 32 LEU MD2 2.800 . 3.700 2.808 2.404 3.212 . 0 0 "[ . 1]" 1
646 1 32 LEU HB2 1 32 LEU HG 2.700 . 3.600 2.475 2.346 2.620 . 0 0 "[ . 1]" 1
647 1 32 LEU HB2 1 33 ASP H 3.700 . 5.400 3.618 3.446 3.717 . 0 0 "[ . 1]" 1
648 1 32 LEU HB2 1 33 ASP H 2.800 . 3.800 2.545 2.337 3.253 . 0 0 "[ . 1]" 1
649 1 32 LEU HB3 1 32 LEU MD1 2.500 . 3.300 2.417 2.263 2.566 . 0 0 "[ . 1]" 1
650 1 32 LEU HB3 1 32 LEU MD2 2.400 . 3.100 2.742 2.251 3.211 0.111 6 0 "[ . 1]" 1
651 1 32 LEU HB3 1 33 ASP H 2.600 . 3.500 2.128 1.956 2.368 . 0 0 "[ . 1]" 1
652 1 32 LEU HB3 1 33 ASP H 2.200 . 2.800 1.981 1.873 2.146 . 0 0 "[ . 1]" 1
653 1 32 LEU HB3 1 33 ASP H 2.500 . 3.300 2.084 1.978 2.175 . 0 0 "[ . 1]" 1
654 1 32 LEU HB3 1 33 ASP H 3.300 . 4.600 2.220 2.089 2.362 . 0 0 "[ . 1]" 1
655 1 32 LEU HB3 1 33 ASP HB2 3.800 . 5.600 3.537 3.253 3.833 . 0 0 "[ . 1]" 1
656 1 32 LEU HB3 1 33 ASP HB2 3.500 . 5.100 2.823 1.959 3.736 . 0 0 "[ . 1]" 1
657 1 32 LEU HB3 1 33 ASP HB3 4.100 . 6.000 3.646 2.503 4.465 . 0 0 "[ . 1]" 1
658 1 32 LEU MD1 1 32 LEU MD2 1.400 . 2.200 2.077 2.071 2.090 . 0 0 "[ . 1]" 1
659 1 32 LEU QD 1 33 ASP H 3.100 . 4.300 2.430 2.011 2.753 . 0 0 "[ . 1]" 1
660 1 32 LEU QD 1 33 ASP H 3.300 . 4.600 2.623 2.173 2.865 . 0 0 "[ . 1]" 1
661 1 32 LEU MD1 1 32 LEU HG 2.200 . 2.800 2.140 2.137 2.143 . 0 0 "[ . 1]" 1
662 1 32 LEU MD1 1 33 ASP HB3 4.000 . 6.000 4.922 3.858 6.215 0.215 7 0 "[ . 1]" 1
663 1 32 LEU MD2 1 32 LEU HG 2.100 . 2.700 2.137 2.123 2.146 . 0 0 "[ . 1]" 1
664 1 32 LEU MD2 1 34 GLU HA 3.900 . 5.800 4.753 3.514 5.617 . 0 0 "[ . 1]" 1
665 1 32 LEU MD2 1 34 GLU HB3 4.000 . 6.000 4.163 3.803 4.673 . 0 0 "[ . 1]" 1
666 1 33 ASP H 1 33 ASP HA 2.600 . 3.500 2.964 2.910 2.983 . 0 0 "[ . 1]" 1
667 1 33 ASP H 1 33 ASP HB2 2.500 . 3.300 2.767 2.426 3.244 . 0 0 "[ . 1]" 1
668 1 33 ASP H 1 33 ASP HB3 2.700 . 3.600 2.639 2.511 2.876 . 0 0 "[ . 1]" 1
669 1 33 ASP H 1 34 GLU H 4.000 . 6.000 4.537 4.420 4.629 . 0 0 "[ . 1]" 1
670 1 33 ASP H 1 36 LEU QD 3.400 . 4.900 3.609 2.791 4.584 . 0 0 "[ . 1]" 1
671 1 33 ASP HA 1 33 ASP HB3 2.900 . 3.900 3.029 2.994 3.039 . 0 0 "[ . 1]" 1
672 1 33 ASP HA 1 34 GLU H 2.000 . 2.500 2.344 2.199 2.691 0.191 10 0 "[ . 1]" 1
673 1 33 ASP HB2 1 34 GLU H 4.800 . 6.000 3.904 3.524 4.130 . 0 0 "[ . 1]" 1
674 1 33 ASP HB2 1 36 LEU QD 3.100 . 4.300 2.905 2.477 3.423 . 0 0 "[ . 1]" 1
675 1 33 ASP HB2 1 36 LEU HG 3.300 . 4.600 3.717 2.850 4.638 0.038 10 0 "[ . 1]" 1
676 1 33 ASP HB3 1 34 GLU H 4.000 . 6.000 3.565 2.475 3.964 . 0 0 "[ . 1]" 1
677 1 33 ASP HB3 1 34 GLU H 2.800 . 3.800 2.933 1.858 3.738 . 0 0 "[ . 1]" 1
678 1 33 ASP HB3 1 35 THR MG 3.300 . 4.600 3.764 2.898 4.614 0.014 7 0 "[ . 1]" 1
679 1 33 ASP HB3 1 36 LEU QD 3.300 . 4.600 2.279 1.977 2.999 0.023 6 0 "[ . 1]" 1
680 1 33 ASP HB3 1 36 LEU HG 3.000 . 4.100 2.401 1.932 3.297 . 0 0 "[ . 1]" 1
681 1 34 GLU H 1 34 GLU HA 2.700 . 3.600 2.954 2.897 2.988 . 0 0 "[ . 1]" 1
682 1 34 GLU H 1 34 GLU HA 2.800 . 3.800 2.931 2.883 2.955 . 0 0 "[ . 1]" 1
683 1 34 GLU H 1 34 GLU HB2 3.400 . 4.900 3.249 2.617 3.910 . 0 0 "[ . 1]" 1
684 1 34 GLU H 1 34 GLU QB 2.500 . 3.300 2.626 2.223 3.321 0.021 10 0 "[ . 1]" 1
685 1 34 GLU H 1 34 GLU HB3 3.000 . 4.100 2.789 2.404 3.592 . 0 0 "[ . 1]" 1
686 1 34 GLU H 1 34 GLU HG2 3.300 . 4.700 3.445 1.864 4.687 0.036 4 0 "[ . 1]" 1
687 1 34 GLU H 1 34 GLU HG3 3.700 . 5.400 3.838 2.792 4.714 . 0 0 "[ . 1]" 1
688 1 34 GLU H 1 35 THR H 2.600 . 3.400 2.510 1.918 3.840 0.440 7 0 "[ . 1]" 1
689 1 34 GLU H 1 35 THR MG 4.000 . 6.000 3.769 2.862 4.774 . 0 0 "[ . 1]" 1
690 1 34 GLU HA 1 34 GLU HB2 2.500 . 3.300 2.480 2.364 2.562 . 0 0 "[ . 1]" 1
691 1 34 GLU HA 1 34 GLU HB3 2.600 . 3.400 2.724 2.359 3.039 . 0 0 "[ . 1]" 1
692 1 34 GLU HA 1 34 GLU HG2 3.300 . 4.700 3.428 2.708 3.793 . 0 0 "[ . 1]" 1
693 1 34 GLU HA 1 34 GLU HG3 4.100 . 6.000 3.304 2.592 4.246 . 0 0 "[ . 1]" 1
694 1 34 GLU HA 1 35 THR H 3.100 . 4.300 3.192 2.104 3.570 . 0 0 "[ . 1]" 1
695 1 34 GLU HA 1 36 LEU H 3.100 . 4.300 2.878 2.836 2.915 . 0 0 "[ . 1]" 1
696 1 34 GLU HB3 1 35 THR MG 3.600 . 5.200 4.043 2.681 5.627 0.427 10 0 "[ . 1]" 1
697 1 34 GLU HG2 1 35 THR MG 3.600 . 5.200 3.997 2.906 4.888 . 0 0 "[ . 1]" 1
698 1 34 GLU HG3 1 35 THR HA 3.200 . 6.000 5.062 3.790 6.029 0.029 7 0 "[ . 1]" 1
699 1 34 GLU HG3 1 35 THR MG 3.700 . 5.400 4.142 1.973 5.362 0.027 4 0 "[ . 1]" 1
700 1 35 THR H 1 35 THR HA 2.900 . 3.900 2.871 2.244 2.986 . 0 0 "[ . 1]" 1
701 1 35 THR H 1 35 THR HA 2.600 . 3.400 2.732 2.194 2.881 . 0 0 "[ . 1]" 1
702 1 35 THR H 1 35 THR MG 2.300 . 3.000 2.766 2.136 3.126 0.126 7 0 "[ . 1]" 1
703 1 35 THR H 1 36 LEU H 2.400 . 3.100 2.255 1.621 3.209 0.109 7 0 "[ . 1]" 1
704 1 35 THR HA 1 36 LEU H 3.700 . 5.400 3.063 2.255 3.280 . 0 0 "[ . 1]" 1
705 1 35 THR HA 1 35 THR MG 2.300 . 3.000 2.725 2.189 3.216 0.216 9 0 "[ . 1]" 1
706 1 35 THR HA 1 36 LEU H 3.200 . 4.500 3.217 2.261 3.578 . 0 0 "[ . 1]" 1
707 1 35 THR MG 1 36 LEU H 4.400 . 6.000 3.866 2.843 4.303 . 0 0 "[ . 1]" 1
708 1 36 LEU H 1 36 LEU HB2 2.900 . 4.000 3.172 2.387 3.878 . 0 0 "[ . 1]" 1
709 1 36 LEU H 1 36 LEU HB3 3.500 . 5.000 3.208 2.793 3.645 . 0 0 "[ . 1]" 1
710 1 36 LEU H 1 36 LEU QD 4.400 . 5.600 3.039 2.624 3.276 . 0 0 "[ . 1]" 1
711 1 36 LEU H 1 36 LEU HG 2.500 . 3.300 2.203 1.851 2.694 . 0 0 "[ . 1]" 1
712 1 36 LEU HA 1 36 LEU HB3 2.700 . 3.600 2.431 2.320 2.529 . 0 0 "[ . 1]" 1
713 1 36 LEU HA 1 36 LEU QD 2.900 . 3.900 2.807 1.854 3.428 0.146 4 0 "[ . 1]" 1
714 1 36 LEU HA 1 36 LEU HG 3.700 . 5.400 3.453 3.063 3.726 . 0 0 "[ . 1]" 1
715 1 36 LEU HA 1 37 SER H 2.100 . 2.600 2.241 2.093 2.430 . 0 0 "[ . 1]" 1
716 1 36 LEU HA 1 40 ASP HB2 3.800 . 5.600 3.957 3.592 4.965 . 0 0 "[ . 1]" 1
717 1 36 LEU HB2 1 36 LEU QD 2.500 . 3.300 2.171 1.952 2.310 . 0 0 "[ . 1]" 1
718 1 36 LEU HB2 1 36 LEU HG 2.400 . 3.100 2.785 2.427 3.026 . 0 0 "[ . 1]" 1
719 1 36 LEU HB2 1 37 SER H 3.800 . 5.600 3.289 2.438 4.374 . 0 0 "[ . 1]" 1
720 1 36 LEU HB2 1 40 ASP HB2 3.600 . 5.200 3.346 1.969 5.284 0.084 4 0 "[ . 1]" 1
721 1 36 LEU HB2 1 40 ASP HB3 4.400 . 6.000 3.985 2.375 6.019 0.019 4 0 "[ . 1]" 1
722 1 36 LEU HB3 1 36 LEU QD 2.600 . 3.400 2.147 2.102 2.204 . 0 0 "[ . 1]" 1
723 1 36 LEU HB3 1 36 LEU HG 2.500 . 3.300 2.768 2.522 3.035 . 0 0 "[ . 1]" 1
724 1 36 LEU HB3 1 37 SER H 3.600 . 5.200 3.619 3.069 3.843 . 0 0 "[ . 1]" 1
725 1 36 LEU HB3 1 40 ASP H 4.900 . 6.000 5.227 4.389 5.595 . 0 0 "[ . 1]" 1
726 1 36 LEU HB3 1 40 ASP HB2 3.300 . 4.700 3.623 2.372 4.550 . 0 0 "[ . 1]" 1
727 1 36 LEU HB3 1 40 ASP HB2 3.600 . 5.200 3.542 2.370 4.393 . 0 0 "[ . 1]" 1
728 1 36 LEU HB3 1 40 ASP HB3 3.500 . 5.100 3.908 3.239 4.691 . 0 0 "[ . 1]" 1
729 1 36 LEU MD1 1 36 LEU MD2 2.100 . 2.600 2.084 2.061 2.090 . 0 0 "[ . 1]" 1
730 1 36 LEU QD 1 37 SER H 3.800 . 5.600 3.380 2.986 3.610 . 0 0 "[ . 1]" 1
731 1 36 LEU QD 1 37 SER H 3.400 . 4.800 3.263 2.941 3.523 . 0 0 "[ . 1]" 1
732 1 36 LEU QD 1 40 ASP HB2 2.900 . 4.000 2.992 1.612 3.691 0.188 10 0 "[ . 1]" 1
733 1 36 LEU QD 1 40 ASP HB2 4.000 . 6.000 2.630 1.601 3.086 0.399 10 0 "[ . 1]" 1
734 1 36 LEU QD 1 40 ASP HB3 3.100 . 4.300 3.153 2.414 3.710 . 0 0 "[ . 1]" 1
735 1 36 LEU QD 1 40 ASP HB3 3.700 . 5.400 2.919 2.390 3.462 . 0 0 "[ . 1]" 1
736 1 36 LEU QD 1 41 LEU HA 4.000 . 6.000 4.017 3.040 4.632 . 0 0 "[ . 1]" 1
737 1 36 LEU QD 1 44 MET ME 2.700 . 3.600 2.691 1.760 3.556 0.040 2 0 "[ . 1]" 1
738 1 37 SER H 1 37 SER HB3 2.700 . 3.600 3.196 2.447 3.741 0.141 6 0 "[ . 1]" 1
739 1 37 SER H 1 40 ASP HB2 2.500 . 3.300 2.789 2.110 3.362 0.062 10 0 "[ . 1]" 1
740 1 37 SER H 1 40 ASP HB3 3.900 . 5.800 4.081 3.471 4.565 . 0 0 "[ . 1]" 1
741 1 37 SER HA 1 37 SER HB2 2.600 . 3.400 2.776 2.453 3.039 . 0 0 "[ . 1]" 1
742 1 37 SER HA 1 37 SER HB3 2.700 . 3.600 2.671 2.392 3.045 . 0 0 "[ . 1]" 1
743 1 37 SER HA 1 38 SER H 2.600 . 3.500 2.483 2.317 2.607 . 0 0 "[ . 1]" 1
744 1 37 SER HB2 1 38 SER H 3.100 . 4.300 3.426 2.043 4.052 . 0 0 "[ . 1]" 1
745 1 37 SER HB2 1 39 GLU H 3.700 . 5.400 3.597 2.755 4.506 . 0 0 "[ . 1]" 1
746 1 37 SER HB2 1 39 GLU H 3.200 . 4.500 3.504 2.746 4.277 . 0 0 "[ . 1]" 1
747 1 37 SER HB3 1 38 SER H 4.300 . 6.000 2.896 2.157 3.729 . 0 0 "[ . 1]" 1
748 1 37 SER HB3 1 38 SER H 3.000 . 4.100 2.289 1.960 2.622 . 0 0 "[ . 1]" 1
749 1 37 SER HB3 1 40 ASP H 3.100 . 4.300 3.102 2.553 3.459 . 0 0 "[ . 1]" 1
750 1 38 SER H 1 38 SER HA 2.700 . 3.600 2.838 2.800 2.878 . 0 0 "[ . 1]" 1
751 1 38 SER H 1 39 GLU H 3.300 . 4.600 2.681 2.517 2.859 . 0 0 "[ . 1]" 1
752 1 38 SER HA 1 38 SER QB 2.200 . 2.800 2.296 2.176 2.480 . 0 0 "[ . 1]" 1
753 1 38 SER HA 1 39 GLU H 2.600 . 3.500 3.533 3.488 3.573 0.073 4 0 "[ . 1]" 1
754 1 38 SER HA 1 41 LEU HB2 3.400 . 4.800 3.035 2.474 4.664 . 0 0 "[ . 1]" 1
755 1 38 SER HA 1 41 LEU QD 3.500 . 5.000 2.332 1.548 2.842 0.452 10 0 "[ . 1]" 1
756 1 38 SER HB2 1 39 GLU HB3 3.500 . 5.000 4.184 3.669 4.919 . 0 0 "[ . 1]" 1
757 1 38 SER QB 1 39 GLU H 3.600 . 5.200 2.984 2.482 3.583 . 0 0 "[ . 1]" 1
758 1 38 SER QB 1 41 LEU H 4.200 . 6.000 4.777 4.482 4.977 . 0 0 "[ . 1]" 1
759 1 38 SER QB 1 41 LEU HB3 4.400 . 6.000 5.607 4.947 6.036 0.036 2 0 "[ . 1]" 1
760 1 38 SER QB 1 41 LEU QD 3.300 . 4.600 3.559 2.909 4.248 . 0 0 "[ . 1]" 1
761 1 39 GLU H 1 39 GLU HA 2.400 . 3.100 2.848 2.822 2.893 . 0 0 "[ . 1]" 1
762 1 39 GLU H 1 39 GLU HB2 2.900 . 4.000 2.457 2.222 2.598 . 0 0 "[ . 1]" 1
763 1 39 GLU H 1 39 GLU HB3 2.300 . 3.000 3.022 2.537 3.627 0.627 10 4 "[ * * - +]" 1
764 1 39 GLU H 1 39 GLU HG2 3.500 . 5.000 4.119 3.293 4.614 . 0 0 "[ . 1]" 1
765 1 39 GLU H 1 39 GLU HG3 3.400 . 4.900 3.788 2.185 4.520 . 0 0 "[ . 1]" 1
766 1 39 GLU H 1 40 ASP H 2.500 . 3.300 2.675 2.494 2.778 . 0 0 "[ . 1]" 1
767 1 39 GLU HA 1 39 GLU HB2 2.500 . 3.300 2.723 2.469 3.037 . 0 0 "[ . 1]" 1
768 1 39 GLU HA 1 39 GLU HB3 2.500 . 3.300 2.816 2.451 3.037 . 0 0 "[ . 1]" 1
769 1 39 GLU HA 1 39 GLU HG3 2.900 . 4.000 2.562 2.205 3.279 . 0 0 "[ . 1]" 1
770 1 39 GLU HA 1 42 ASP HB2 3.000 . 4.100 3.466 2.300 4.131 0.031 8 0 "[ . 1]" 1
771 1 39 GLU HA 1 42 ASP HB2 3.400 . 4.900 3.276 2.294 3.754 . 0 0 "[ . 1]" 1
772 1 39 GLU HA 1 42 ASP HB3 2.900 . 4.000 2.912 2.156 3.491 . 0 0 "[ . 1]" 1
773 1 39 GLU HB3 1 40 ASP H 2.500 . 3.300 2.983 2.430 3.771 0.471 10 0 "[ . 1]" 1
774 1 40 ASP H 1 40 ASP HA 2.600 . 3.500 2.856 2.831 2.931 . 0 0 "[ . 1]" 1
775 1 40 ASP H 1 40 ASP HB2 2.300 . 2.900 2.471 2.382 2.519 . 0 0 "[ . 1]" 1
776 1 40 ASP H 1 40 ASP HB3 3.500 . 5.100 3.622 3.600 3.643 . 0 0 "[ . 1]" 1
777 1 40 ASP H 1 40 ASP HB3 3.000 . 4.100 2.474 2.294 2.759 . 0 0 "[ . 1]" 1
778 1 40 ASP H 1 41 LEU H 2.300 . 3.000 2.650 2.361 2.773 . 0 0 "[ . 1]" 1
779 1 40 ASP HA 1 40 ASP HB3 2.500 . 3.300 2.510 2.479 2.564 . 0 0 "[ . 1]" 1
780 1 40 ASP HA 1 43 ALA MB 2.900 . 4.000 2.895 2.373 3.658 . 0 0 "[ . 1]" 1
781 1 40 ASP HB2 1 41 LEU H 2.400 . 3.100 2.544 2.287 2.839 . 0 0 "[ . 1]" 1
782 1 40 ASP HB2 1 41 LEU HB2 4.300 . 6.000 5.031 4.553 5.479 . 0 0 "[ . 1]" 1
783 1 40 ASP HB2 1 41 LEU HG 3.700 . 5.500 3.647 3.031 4.192 . 0 0 "[ . 1]" 1
784 1 40 ASP HB3 1 41 LEU H 3.700 . 5.400 3.550 3.356 3.739 . 0 0 "[ . 1]" 1
785 1 40 ASP HB3 1 41 LEU HB2 4.600 . 6.000 5.479 5.060 5.779 . 0 0 "[ . 1]" 1
786 1 40 ASP HB3 1 41 LEU HG 4.400 . 6.000 4.813 4.166 5.428 . 0 0 "[ . 1]" 1
787 1 40 ASP HB3 1 42 ASP H 3.700 . 5.400 3.340 2.313 3.922 . 0 0 "[ . 1]" 1
788 1 40 ASP HB3 1 43 ALA MB 3.900 . 5.800 3.893 3.537 4.410 . 0 0 "[ . 1]" 1
789 1 40 ASP HB3 1 44 MET ME 3.500 . 5.000 3.079 2.108 4.525 . 0 0 "[ . 1]" 1
790 1 41 LEU H 1 41 LEU HA 2.600 . 3.400 2.850 2.815 2.905 . 0 0 "[ . 1]" 1
791 1 41 LEU H 1 41 LEU HB2 2.200 . 2.800 2.666 2.430 3.620 0.820 1 1 "[+ . 1]" 1
792 1 41 LEU H 1 41 LEU HB3 3.000 . 4.100 3.510 2.631 3.631 . 0 0 "[ . 1]" 1
793 1 41 LEU H 1 41 LEU QD 3.300 . 4.700 2.713 2.006 3.085 . 0 0 "[ . 1]" 1
794 1 41 LEU H 1 41 LEU HG 2.100 . 2.700 2.264 2.082 2.931 0.231 10 0 "[ . 1]" 1
795 1 41 LEU HA 1 41 LEU HB2 3.000 . 4.100 2.968 2.435 3.035 . 0 0 "[ . 1]" 1
796 1 41 LEU HA 1 41 LEU HB3 2.500 . 3.300 2.441 2.346 2.507 . 0 0 "[ . 1]" 1
797 1 41 LEU HA 1 41 LEU QD 2.500 . 3.300 2.254 1.920 3.337 0.037 1 0 "[ . 1]" 1
798 1 41 LEU HA 1 41 LEU HG 3.100 . 4.300 3.229 2.431 3.702 . 0 0 "[ . 1]" 1
799 1 41 LEU HA 1 42 ASP HB2 4.300 . 6.000 4.585 3.528 5.244 . 0 0 "[ . 1]" 1
800 1 41 LEU HA 1 44 MET H 3.200 . 4.500 3.569 3.157 4.238 . 0 0 "[ . 1]" 1
801 1 41 LEU HA 1 44 MET HB2 2.700 . 3.600 2.965 2.554 3.564 . 0 0 "[ . 1]" 1
802 1 41 LEU HA 1 44 MET HB3 4.200 . 6.000 4.588 4.080 5.218 . 0 0 "[ . 1]" 1
803 1 41 LEU HB2 1 41 LEU QD 2.700 . 3.600 2.264 1.950 2.438 . 0 0 "[ . 1]" 1
804 1 41 LEU HB2 1 41 LEU HG 2.600 . 3.500 2.522 2.307 2.995 . 0 0 "[ . 1]" 1
805 1 41 LEU HB2 1 42 ASP H 2.900 . 3.900 2.731 2.425 3.869 . 0 0 "[ . 1]" 1
806 1 41 LEU HB2 1 42 ASP H 2.600 . 3.400 2.312 2.095 2.523 . 0 0 "[ . 1]" 1
807 1 41 LEU HB3 1 41 LEU QD 2.500 . 3.300 2.109 2.070 2.135 . 0 0 "[ . 1]" 1
808 1 41 LEU HB3 1 41 LEU HG 2.400 . 3.100 2.945 2.622 3.034 . 0 0 "[ . 1]" 1
809 1 41 LEU HB3 1 42 ASP H 3.400 . 4.900 3.744 3.456 4.066 . 0 0 "[ . 1]" 1
810 1 42 ASP H 1 42 ASP HA 3.500 . 5.100 2.659 2.536 2.742 . 0 0 "[ . 1]" 1
811 1 42 ASP H 1 42 ASP HA 2.700 . 3.600 2.746 2.602 2.850 . 0 0 "[ . 1]" 1
812 1 42 ASP H 1 42 ASP HB2 3.100 . 4.300 2.503 2.352 2.702 . 0 0 "[ . 1]" 1
813 1 42 ASP H 1 42 ASP HB2 2.400 . 3.100 2.462 2.328 2.684 . 0 0 "[ . 1]" 1
814 1 42 ASP H 1 42 ASP HB3 2.700 . 3.600 2.557 2.434 2.690 . 0 0 "[ . 1]" 1
815 1 42 ASP H 1 43 ALA H 2.600 . 3.400 2.655 2.431 2.886 . 0 0 "[ . 1]" 1
816 1 42 ASP H 1 43 ALA MB 4.700 . 6.000 3.959 3.829 4.069 . 0 0 "[ . 1]" 1
817 1 42 ASP HA 1 42 ASP HB2 2.700 . 3.600 2.484 2.439 2.555 . 0 0 "[ . 1]" 1
818 1 42 ASP HA 1 42 ASP HB3 2.900 . 3.900 3.037 3.027 3.040 . 0 0 "[ . 1]" 1
819 1 42 ASP HA 1 43 ALA H 3.400 . 4.900 3.553 3.526 3.575 . 0 0 "[ . 1]" 1
820 1 42 ASP HA 1 43 ALA H 2.500 . 3.300 2.746 2.732 2.776 . 0 0 "[ . 1]" 1
821 1 42 ASP HA 1 45 ILE HB 2.800 . 3.800 2.960 1.995 3.609 . 0 0 "[ . 1]" 1
822 1 42 ASP HA 1 45 ILE HG13 3.800 . 5.600 4.259 2.753 5.246 . 0 0 "[ . 1]" 1
823 1 42 ASP HA 1 45 ILE MG 3.900 . 5.800 4.275 3.393 4.904 . 0 0 "[ . 1]" 1
824 1 42 ASP HB2 1 43 ALA H 3.200 . 4.500 3.830 3.721 4.008 . 0 0 "[ . 1]" 1
825 1 42 ASP HB3 1 43 ALA H 2.700 . 3.600 2.555 2.398 2.784 . 0 0 "[ . 1]" 1
826 1 43 ALA H 1 43 ALA HA 2.800 . 3.800 2.858 2.836 2.898 . 0 0 "[ . 1]" 1
827 1 43 ALA H 1 43 ALA MB 2.100 . 2.600 2.238 2.230 2.250 . 0 0 "[ . 1]" 1
828 1 43 ALA H 1 44 MET H 2.400 . 3.100 2.676 2.509 2.801 . 0 0 "[ . 1]" 1
829 1 43 ALA HA 1 43 ALA MB 2.300 . 3.000 2.138 2.135 2.140 . 0 0 "[ . 1]" 1
830 1 43 ALA HA 1 45 ILE H 3.700 . 5.400 4.625 4.309 5.016 . 0 0 "[ . 1]" 1
831 1 43 ALA HA 1 46 ASP HB2 2.800 . 3.800 3.529 2.439 4.218 0.418 5 0 "[ . 1]" 1
832 1 43 ALA HA 1 46 ASP HB3 3.000 . 4.200 3.005 2.360 3.834 . 0 0 "[ . 1]" 1
833 1 43 ALA MB 1 44 MET H 2.800 . 3.800 2.557 2.369 2.747 . 0 0 "[ . 1]" 1
834 1 43 ALA MB 1 44 MET HG2 3.800 . 5.600 4.169 3.239 5.188 . 0 0 "[ . 1]" 1
835 1 44 MET H 1 44 MET HB2 2.400 . 3.100 2.421 2.270 2.518 . 0 0 "[ . 1]" 1
836 1 44 MET H 1 44 MET HB3 3.700 . 5.400 3.616 3.574 3.645 . 0 0 "[ . 1]" 1
837 1 44 MET H 1 44 MET HB3 3.700 . 5.500 3.237 2.861 3.505 . 0 0 "[ . 1]" 1
838 1 44 MET H 1 44 MET HG2 3.100 . 4.300 3.390 2.207 4.215 . 0 0 "[ . 1]" 1
839 1 44 MET H 1 44 MET HG3 3.100 . 4.300 2.799 2.231 3.795 . 0 0 "[ . 1]" 1
840 1 44 MET HA 1 44 MET HB3 2.500 . 3.300 2.525 2.456 2.636 . 0 0 "[ . 1]" 1
841 1 44 MET HA 1 44 MET HG2 2.900 . 4.000 2.694 2.446 3.544 . 0 0 "[ . 1]" 1
842 1 44 MET HA 1 44 MET HG3 3.100 . 4.300 3.118 2.237 3.779 . 0 0 "[ . 1]" 1
843 1 44 MET HA 1 47 GLU H 3.400 . 4.800 3.769 3.432 4.228 . 0 0 "[ . 1]" 1
844 1 44 MET HB2 1 44 MET HG3 2.200 . 2.800 2.487 2.379 3.010 0.210 6 0 "[ . 1]" 1
845 1 44 MET HB2 1 45 ILE H 2.900 . 4.000 2.575 2.307 2.773 . 0 0 "[ . 1]" 1
846 1 44 MET HB2 1 45 ILE H 2.200 . 2.800 2.242 2.124 2.340 . 0 0 "[ . 1]" 1
847 1 44 MET HB3 1 44 MET HG2 2.900 . 4.000 2.570 2.323 3.030 . 0 0 "[ . 1]" 1
848 1 44 MET HB3 1 45 ILE H 3.900 . 5.800 3.509 3.255 3.810 . 0 0 "[ . 1]" 1
849 1 44 MET HB3 1 45 ILE MG 3.500 . 5.000 3.730 3.104 4.389 . 0 0 "[ . 1]" 1
850 1 44 MET HB3 1 48 ILE MD 3.100 . 4.300 3.082 2.451 4.068 . 0 0 "[ . 1]" 1
851 1 44 MET ME 1 44 MET HG2 3.500 . 5.100 2.958 2.406 3.419 . 0 0 "[ . 1]" 1
852 1 44 MET ME 1 44 MET HG3 2.900 . 4.000 2.678 2.423 3.417 . 0 0 "[ . 1]" 1
853 1 45 ILE H 1 45 ILE HA 2.900 . 3.900 2.876 2.829 2.926 . 0 0 "[ . 1]" 1
854 1 45 ILE H 1 45 ILE HB 2.600 . 3.500 2.493 2.390 2.642 . 0 0 "[ . 1]" 1
855 1 45 ILE H 1 45 ILE MD 4.000 . 6.000 3.245 3.006 3.383 . 0 0 "[ . 1]" 1
856 1 45 ILE H 1 45 ILE HG12 2.600 . 3.500 2.212 1.996 2.323 . 0 0 "[ . 1]" 1
857 1 45 ILE H 1 45 ILE HG13 4.100 . 6.000 3.679 3.505 3.741 . 0 0 "[ . 1]" 1
858 1 45 ILE H 1 45 ILE MG 4.300 . 6.000 3.779 3.748 3.815 . 0 0 "[ . 1]" 1
859 1 45 ILE HA 1 45 ILE HB 3.000 . 4.100 3.040 3.035 3.043 . 0 0 "[ . 1]" 1
860 1 45 ILE HA 1 45 ILE MD 2.400 . 3.100 2.064 1.885 2.167 . 0 0 "[ . 1]" 1
861 1 45 ILE HA 1 45 ILE HG12 3.200 . 4.500 3.084 2.958 3.265 . 0 0 "[ . 1]" 1
862 1 45 ILE HA 1 45 ILE HG13 4.100 . 6.000 3.715 3.665 3.859 . 0 0 "[ . 1]" 1
863 1 45 ILE HA 1 45 ILE MG 2.600 . 3.400 2.414 2.211 2.538 . 0 0 "[ . 1]" 1
864 1 45 ILE HA 1 46 ASP H 3.700 . 5.400 3.295 2.363 3.538 . 0 0 "[ . 1]" 1
865 1 45 ILE HA 1 48 ILE H 3.900 . 5.800 3.295 2.953 3.665 . 0 0 "[ . 1]" 1
866 1 45 ILE HA 1 48 ILE HB 2.700 . 3.600 2.827 2.097 3.590 . 0 0 "[ . 1]" 1
867 1 45 ILE HA 1 48 ILE MD 3.300 . 4.600 3.465 2.510 4.662 0.062 6 0 "[ . 1]" 1
868 1 45 ILE HA 1 48 ILE HG12 3.800 . 5.600 4.958 3.521 5.724 0.124 10 0 "[ . 1]" 1
869 1 45 ILE HA 1 48 ILE HG13 3.800 . 5.600 4.049 3.125 5.325 . 0 0 "[ . 1]" 1
870 1 45 ILE HA 1 49 ASP H 3.400 . 4.900 3.651 2.866 4.333 . 0 0 "[ . 1]" 1
871 1 45 ILE HA 1 49 ASP H 3.200 . 4.500 3.448 2.812 3.932 . 0 0 "[ . 1]" 1
872 1 45 ILE HB 1 45 ILE MD 3.600 . 5.200 3.237 3.231 3.244 . 0 0 "[ . 1]" 1
873 1 45 ILE HB 1 45 ILE HG12 2.800 . 3.700 2.421 2.379 2.492 . 0 0 "[ . 1]" 1
874 1 45 ILE HB 1 45 ILE HG13 2.700 . 3.600 2.467 2.397 2.513 . 0 0 "[ . 1]" 1
875 1 45 ILE HB 1 45 ILE MG 2.300 . 3.000 2.136 2.115 2.144 . 0 0 "[ . 1]" 1
876 1 45 ILE HB 1 46 ASP H 3.100 . 4.300 3.122 2.720 4.437 0.137 6 0 "[ . 1]" 1
877 1 45 ILE HB 1 46 ASP HB2 4.200 . 6.000 4.462 4.119 5.008 . 0 0 "[ . 1]" 1
878 1 45 ILE HB 1 46 ASP HB3 4.300 . 6.000 4.349 2.916 5.454 . 0 0 "[ . 1]" 1
879 1 45 ILE MD 1 45 ILE MG 2.400 . 3.100 1.972 1.854 2.116 . 0 0 "[ . 1]" 1
880 1 45 ILE HG12 1 45 ILE MG 3.600 . 5.200 3.205 3.197 3.212 . 0 0 "[ . 1]" 1
881 1 45 ILE HG13 1 45 ILE MG 2.600 . 3.500 2.313 2.261 2.353 . 0 0 "[ . 1]" 1
882 1 45 ILE MG 1 46 ASP H 3.600 . 5.200 3.585 3.294 3.884 . 0 0 "[ . 1]" 1
883 1 45 ILE MG 1 46 ASP HA 3.400 . 4.800 3.591 3.299 4.057 . 0 0 "[ . 1]" 1
884 1 45 ILE MG 1 49 ASP H 3.100 . 4.300 2.758 2.350 3.102 . 0 0 "[ . 1]" 1
885 1 45 ILE MG 1 49 ASP QB 3.200 . 4.400 3.261 2.114 4.014 . 0 0 "[ . 1]" 1
886 1 46 ASP H 1 46 ASP HA 2.800 . 3.800 2.859 2.806 2.950 . 0 0 "[ . 1]" 1
887 1 46 ASP H 1 46 ASP HB2 2.800 . 3.800 2.746 2.369 3.424 . 0 0 "[ . 1]" 1
888 1 46 ASP H 1 47 GLU H 3.200 . 4.500 2.516 1.801 2.823 0.099 6 0 "[ . 1]" 1
889 1 46 ASP HA 1 46 ASP HB2 2.600 . 3.500 2.427 2.354 2.500 . 0 0 "[ . 1]" 1
890 1 46 ASP HA 1 46 ASP HB3 2.800 . 3.800 3.035 3.016 3.044 . 0 0 "[ . 1]" 1
891 1 46 ASP HA 1 47 GLU H 3.400 . 4.800 3.509 3.401 3.548 . 0 0 "[ . 1]" 1
892 1 46 ASP HA 1 48 ILE H 3.800 . 5.600 4.157 3.908 4.548 . 0 0 "[ . 1]" 1
893 1 46 ASP HB2 1 47 GLU H 3.900 . 5.800 4.053 3.812 4.285 . 0 0 "[ . 1]" 1
894 1 46 ASP HB3 1 47 GLU H 3.200 . 4.500 2.851 2.449 3.188 . 0 0 "[ . 1]" 1
895 1 47 GLU H 1 47 GLU HA 2.800 . 3.800 2.957 2.904 2.987 . 0 0 "[ . 1]" 1
896 1 47 GLU H 1 47 GLU QB 2.500 . 3.300 2.539 2.267 3.006 . 0 0 "[ . 1]" 1
897 1 47 GLU H 1 49 ASP H 3.000 . 4.200 4.164 3.912 4.349 0.149 7 0 "[ . 1]" 1
898 1 47 GLU HA 1 47 GLU QB 2.300 . 2.900 2.326 2.168 2.424 . 0 0 "[ . 1]" 1
899 1 47 GLU HA 1 47 GLU HG2 3.000 . 4.100 3.222 2.514 3.779 . 0 0 "[ . 1]" 1
900 1 47 GLU HA 1 47 GLU HG3 3.000 . 4.200 3.306 2.562 3.797 . 0 0 "[ . 1]" 1
901 1 47 GLU QB 1 47 GLU HG2 2.200 . 2.800 2.318 2.166 2.411 . 0 0 "[ . 1]" 1
902 1 47 GLU QB 1 47 GLU HG3 1.800 . 2.200 2.337 2.166 2.418 0.218 10 0 "[ . 1]" 1
903 1 47 GLU QB 1 48 ILE H 3.500 . 5.000 3.339 2.525 3.971 . 0 0 "[ . 1]" 1
904 1 47 GLU HG2 1 48 ILE H 2.700 . 3.600 2.506 2.263 2.724 . 0 0 "[ . 1]" 1
905 1 48 ILE H 1 48 ILE HB 3.200 . 4.500 2.600 2.391 2.882 . 0 0 "[ . 1]" 1
906 1 48 ILE H 1 48 ILE HB 3.400 . 4.800 2.371 2.055 2.856 . 0 0 "[ . 1]" 1
907 1 48 ILE H 1 48 ILE MG 3.600 . 5.200 3.326 2.062 3.892 . 0 0 "[ . 1]" 1
908 1 48 ILE H 1 48 ILE MG 3.100 . 4.300 2.511 1.969 2.785 . 0 0 "[ . 1]" 1
909 1 48 ILE H 1 49 ASP H 2.600 . 3.400 2.276 1.880 2.723 . 0 0 "[ . 1]" 1
910 1 48 ILE H 1 49 ASP HA 4.400 . 6.000 4.771 4.432 5.044 . 0 0 "[ . 1]" 1
911 1 48 ILE H 1 49 ASP QB 3.500 . 5.100 4.261 3.640 4.945 . 0 0 "[ . 1]" 1
912 1 48 ILE HA 1 48 ILE HB 2.800 . 3.800 2.896 2.517 3.047 . 0 0 "[ . 1]" 1
913 1 48 ILE HA 1 48 ILE MD 4.500 . 6.000 3.563 1.864 3.918 0.136 6 0 "[ . 1]" 1
914 1 48 ILE HA 1 48 ILE HG12 3.100 . 4.300 2.623 2.270 2.843 . 0 0 "[ . 1]" 1
915 1 48 ILE HA 1 48 ILE HG13 3.300 . 4.700 3.040 2.454 3.681 . 0 0 "[ . 1]" 1
916 1 48 ILE HA 1 48 ILE MG 2.800 . 3.800 2.636 2.180 3.216 . 0 0 "[ . 1]" 1
917 1 48 ILE HA 1 49 ASP H 3.200 . 4.500 3.532 3.446 3.595 . 0 0 "[ . 1]" 1
918 1 48 ILE HB 1 48 ILE MD 2.700 . 3.600 2.575 2.384 3.239 . 0 0 "[ . 1]" 1
919 1 48 ILE HB 1 48 ILE MG 2.300 . 3.000 2.136 2.121 2.145 . 0 0 "[ . 1]" 1
920 1 48 ILE HB 1 49 ASP H 2.900 . 4.000 2.902 2.080 4.070 0.070 1 0 "[ . 1]" 1
921 1 48 ILE MD 1 48 ILE MG 2.000 . 2.500 1.978 1.798 2.138 . 0 0 "[ . 1]" 1
922 1 48 ILE MD 1 49 ASP H 3.300 . 4.700 4.448 3.939 4.901 0.201 5 0 "[ . 1]" 1
923 1 48 ILE MD 1 60 GLU QB 3.500 . 5.000 3.524 2.036 4.160 . 0 0 "[ . 1]" 1
924 1 48 ILE HG12 1 48 ILE MG 2.700 . 3.600 2.537 2.304 3.206 . 0 0 "[ . 1]" 1
925 1 48 ILE HG12 1 49 ASP H 3.700 . 5.400 4.732 4.294 5.060 . 0 0 "[ . 1]" 1
926 1 48 ILE HG12 1 64 VAL QG 3.300 . 4.600 3.279 2.615 4.641 0.041 6 0 "[ . 1]" 1
927 1 48 ILE HG13 1 48 ILE MG 3.700 . 5.400 3.041 2.324 3.213 . 0 0 "[ . 1]" 1
928 1 48 ILE HG13 1 49 ASP H 3.500 . 5.000 4.516 3.797 5.428 0.428 10 0 "[ . 1]" 1
929 1 48 ILE HG13 1 64 VAL QG 3.900 . 5.800 3.539 1.937 4.266 0.063 10 0 "[ . 1]" 1
930 1 49 ASP H 1 49 ASP HA 3.000 . 4.100 2.180 2.021 2.697 . 0 0 "[ . 1]" 1
931 1 49 ASP H 1 49 ASP QB 2.800 . 3.800 2.330 1.841 2.980 . 0 0 "[ . 1]" 1
932 1 49 ASP HA 1 49 ASP QB 3.100 . 4.300 2.348 2.176 2.469 . 0 0 "[ . 1]" 1
933 1 49 ASP HA 1 50 ALA H 2.300 . 3.000 2.555 2.066 3.357 0.357 9 0 "[ . 1]" 1
934 1 49 ASP HA 1 52 GLY H 3.300 . 4.700 4.680 4.365 4.879 0.179 2 0 "[ . 1]" 1
935 1 49 ASP HA 1 56 VAL MG2 3.700 . 5.400 3.210 2.451 3.593 . 0 0 "[ . 1]" 1
936 1 49 ASP QB 1 51 ASP H 3.100 . 4.700 3.914 3.123 4.638 . 0 0 "[ . 1]" 1
937 1 49 ASP QB 1 55 THR MG 4.000 . 6.000 4.392 2.154 5.108 . 0 0 "[ . 1]" 1
938 1 49 ASP QB 1 56 VAL MG2 4.100 . 6.000 4.639 2.161 5.670 . 0 0 "[ . 1]" 1
939 1 50 ALA H 1 50 ALA HA 2.600 . 3.400 2.926 2.858 2.987 . 0 0 "[ . 1]" 1
940 1 50 ALA H 1 50 ALA MB 2.300 . 2.900 2.544 2.261 2.844 . 0 0 "[ . 1]" 1
941 1 50 ALA H 1 51 ASP H 2.500 . 3.300 2.678 1.750 3.413 0.113 7 0 "[ . 1]" 1
942 1 50 ALA H 1 51 ASP H 2.400 . 3.100 2.112 1.746 2.404 . 0 0 "[ . 1]" 1
943 1 50 ALA H 1 55 THR H 2.500 . 6.000 4.163 2.876 5.748 . 0 0 "[ . 1]" 1
944 1 50 ALA HA 1 50 ALA MB 2.400 . 3.100 2.126 2.095 2.142 . 0 0 "[ . 1]" 1
945 1 50 ALA HA 1 51 ASP H 3.200 . 4.500 3.199 2.490 3.597 . 0 0 "[ . 1]" 1
946 1 50 ALA HA 1 52 GLY H 3.500 . 5.000 4.188 3.261 4.697 . 0 0 "[ . 1]" 1
947 1 50 ALA MB 1 51 ASP H 2.800 . 3.800 2.979 1.817 3.726 . 0 0 "[ . 1]" 1
948 1 51 ASP H 1 51 ASP HA 2.800 . 3.800 2.756 2.292 2.990 . 0 0 "[ . 1]" 1
949 1 51 ASP H 1 51 ASP HB2 2.900 . 3.900 3.187 2.385 3.586 . 0 0 "[ . 1]" 1
950 1 51 ASP H 1 51 ASP HB3 3.100 . 4.300 3.292 2.590 4.123 . 0 0 "[ . 1]" 1
951 1 51 ASP H 1 55 THR H 2.400 . 3.100 2.996 2.382 3.230 0.130 10 0 "[ . 1]" 1
952 1 51 ASP HA 1 51 ASP HB2 2.900 . 4.000 2.605 2.384 3.033 . 0 0 "[ . 1]" 1
953 1 51 ASP HA 1 51 ASP HB3 2.900 . 4.000 2.887 2.517 3.038 . 0 0 "[ . 1]" 1
954 1 51 ASP HA 1 55 THR H 3.100 . 4.300 4.227 2.966 4.564 0.264 7 0 "[ . 1]" 1
955 1 52 GLY H 1 53 SER H 3.200 . 4.500 3.322 2.381 3.811 . 0 0 "[ . 1]" 1
956 1 52 GLY H 1 54 GLY H 2.600 . 3.400 3.355 2.956 3.498 0.098 2 0 "[ . 1]" 1
957 1 52 GLY H 1 54 GLY H 3.200 . 4.500 2.374 1.845 2.758 0.055 7 0 "[ . 1]" 1
958 1 52 GLY H 1 55 THR HA 4.100 . 6.000 4.985 4.505 5.860 . 0 0 "[ . 1]" 1
959 1 52 GLY H 1 55 THR MG 3.000 . 4.100 3.389 1.932 4.328 0.228 1 0 "[ . 1]" 1
960 1 52 GLY QA 1 53 SER H 3.500 . 5.000 2.364 2.100 2.622 . 0 0 "[ . 1]" 1
961 1 52 GLY QA 1 53 SER H 2.700 . 3.600 2.326 2.087 2.573 . 0 0 "[ . 1]" 1
962 1 52 GLY QA 1 54 GLY H 4.300 . 6.000 3.771 3.244 4.532 . 0 0 "[ . 1]" 1
963 1 52 GLY QA 1 55 THR H 2.600 . 3.400 3.305 2.932 3.489 0.089 5 0 "[ . 1]" 1
964 1 52 GLY HA2 1 54 GLY H 3.100 . 4.300 2.439 2.302 2.764 . 0 0 "[ . 1]" 1
965 1 52 GLY HA3 1 55 THR H 2.200 . 2.800 2.649 2.365 3.139 0.339 6 0 "[ . 1]" 1
966 1 53 SER H 1 54 GLY H 2.900 . 3.900 2.934 2.532 3.489 . 0 0 "[ . 1]" 1
967 1 53 SER H 1 55 THR H 3.400 . 4.800 4.370 3.642 4.889 0.089 2 0 "[ . 1]" 1
968 1 53 SER HA 1 53 SER HB2 2.700 . 3.600 2.880 2.475 3.044 . 0 0 "[ . 1]" 1
969 1 53 SER HA 1 53 SER HB3 2.400 . 3.100 2.426 2.362 2.458 . 0 0 "[ . 1]" 1
970 1 53 SER HA 1 54 GLY H 3.200 . 4.500 2.516 2.353 2.717 . 0 0 "[ . 1]" 1
971 1 54 GLY HA2 1 55 THR H 3.800 . 5.600 2.822 2.460 3.568 . 0 0 "[ . 1]" 1
972 1 54 GLY HA3 1 55 THR H 3.800 . 5.700 3.418 2.760 3.605 . 0 0 "[ . 1]" 1
973 1 54 GLY HA3 1 55 THR MG 4.000 . 6.000 4.207 3.795 4.750 . 0 0 "[ . 1]" 1
974 1 55 THR H 1 55 THR HB 4.100 . 6.000 3.579 3.148 3.845 . 0 0 "[ . 1]" 1
975 1 55 THR H 1 55 THR MG 3.600 . 5.300 2.890 1.991 3.428 . 0 0 "[ . 1]" 1
976 1 55 THR HA 1 55 THR HB 2.600 . 3.400 2.588 2.372 2.891 . 0 0 "[ . 1]" 1
977 1 55 THR HA 1 55 THR MG 2.800 . 3.800 2.438 2.154 3.220 . 0 0 "[ . 1]" 1
978 1 55 THR HA 1 56 VAL H 2.400 . 3.100 2.198 2.098 2.315 . 0 0 "[ . 1]" 1
979 1 55 THR HA 1 56 VAL MG1 4.000 . 6.000 3.898 3.661 4.077 . 0 0 "[ . 1]" 1
980 1 55 THR HB 1 56 VAL H 3.000 . 4.100 3.640 2.420 4.132 0.032 8 0 "[ . 1]" 1
981 1 55 THR MG 1 56 VAL H 4.600 . 6.000 3.786 3.217 4.284 . 0 0 "[ . 1]" 1
982 1 56 VAL H 1 56 VAL HB 3.000 . 4.100 2.621 2.566 2.683 . 0 0 "[ . 1]" 1
983 1 56 VAL H 1 56 VAL MG1 4.700 . 6.000 3.824 3.768 3.883 . 0 0 "[ . 1]" 1
984 1 56 VAL H 1 56 VAL MG2 2.800 . 3.800 2.355 1.918 2.966 . 0 0 "[ . 1]" 1
985 1 56 VAL HA 1 56 VAL MG1 2.900 . 4.000 2.398 2.351 2.502 . 0 0 "[ . 1]" 1
986 1 56 VAL HA 1 56 VAL MG2 2.800 . 3.800 2.433 2.322 2.521 . 0 0 "[ . 1]" 1
987 1 56 VAL HA 1 57 ASP H 2.100 . 2.700 2.146 2.035 2.201 . 0 0 "[ . 1]" 1
988 1 56 VAL HB 1 56 VAL MG1 2.400 . 3.100 2.138 2.135 2.140 . 0 0 "[ . 1]" 1
989 1 56 VAL HB 1 56 VAL MG2 2.400 . 3.100 2.136 2.131 2.139 . 0 0 "[ . 1]" 1
990 1 56 VAL HB 1 57 ASP H 3.800 . 5.600 4.277 4.066 4.407 . 0 0 "[ . 1]" 1
991 1 56 VAL HB 1 57 ASP H 3.200 . 4.400 2.553 1.821 3.156 0.179 6 0 "[ . 1]" 1
992 1 56 VAL MG1 1 56 VAL MG2 2.300 . 3.000 2.088 2.077 2.097 . 0 0 "[ . 1]" 1
993 1 56 VAL MG1 1 57 ASP H 2.900 . 3.900 2.901 2.500 3.244 . 0 0 "[ . 1]" 1
994 1 56 VAL MG1 1 60 GLU H 3.400 . 4.900 2.714 2.466 3.095 . 0 0 "[ . 1]" 1
995 1 56 VAL MG1 1 60 GLU QB 2.900 . 3.900 2.223 1.783 2.575 0.117 5 0 "[ . 1]" 1
996 1 56 VAL MG1 1 60 GLU QG 4.100 . 6.000 2.928 2.375 3.860 . 0 0 "[ . 1]" 1
997 1 56 VAL MG1 1 61 PHE HA 3.300 . 4.700 2.444 2.002 3.066 . 0 0 "[ . 1]" 1
998 1 56 VAL MG1 1 61 PHE HB2 3.400 . 4.800 2.339 2.026 2.757 . 0 0 "[ . 1]" 1
999 1 56 VAL MG1 1 61 PHE HB3 3.800 . 5.600 3.632 3.393 4.048 . 0 0 "[ . 1]" 1
1000 1 56 VAL MG1 1 61 PHE QD 3.700 . 5.400 3.015 2.418 3.624 . 0 0 "[ . 1]" 1
1001 1 56 VAL MG2 1 57 ASP H 4.200 . 6.000 4.125 4.008 4.240 . 0 0 "[ . 1]" 1
1002 1 57 ASP H 1 57 ASP HB2 3.000 . 4.100 3.217 2.360 3.775 . 0 0 "[ . 1]" 1
1003 1 57 ASP H 1 57 ASP HB3 3.000 . 4.100 2.725 2.224 3.609 . 0 0 "[ . 1]" 1
1004 1 57 ASP H 1 60 GLU QB 3.300 . 4.100 2.584 1.823 3.263 0.077 6 0 "[ . 1]" 1
1005 1 57 ASP HA 1 57 ASP HB2 3.000 . 4.100 2.482 2.258 3.037 . 0 0 "[ . 1]" 1
1006 1 57 ASP HA 1 58 PHE H 2.500 . 3.300 2.578 2.264 2.789 . 0 0 "[ . 1]" 1
1007 1 57 ASP HB2 1 58 PHE H 3.000 . 4.100 2.826 1.877 3.879 0.023 10 0 "[ . 1]" 1
1008 1 57 ASP HB2 1 59 GLU H 3.800 . 5.600 3.733 2.402 5.451 . 0 0 "[ . 1]" 1
1009 1 57 ASP HB3 1 58 PHE H 3.000 . 4.100 3.435 2.666 3.914 . 0 0 "[ . 1]" 1
1010 1 58 PHE H 1 58 PHE HB2 3.200 . 4.500 3.087 2.509 3.622 . 0 0 "[ . 1]" 1
1011 1 58 PHE H 1 58 PHE QB 2.700 . 3.600 2.517 2.242 2.696 . 0 0 "[ . 1]" 1
1012 1 58 PHE H 1 58 PHE HB3 2.600 . 3.500 2.842 2.502 3.618 0.118 8 0 "[ . 1]" 1
1013 1 58 PHE HA 1 58 PHE QD 3.500 . 5.100 3.197 2.473 3.739 . 0 0 "[ . 1]" 1
1014 1 58 PHE HA 1 61 PHE HB2 3.500 . 5.000 3.654 3.003 4.244 . 0 0 "[ . 1]" 1
1015 1 58 PHE HA 1 61 PHE HB3 3.200 . 4.500 2.742 1.997 4.007 . 0 0 "[ . 1]" 1
1016 1 58 PHE HB2 1 58 PHE QD 3.000 . 4.200 2.435 2.328 2.571 . 0 0 "[ . 1]" 1
1017 1 58 PHE HB2 1 59 GLU H 3.500 . 5.000 3.390 2.316 4.037 . 0 0 "[ . 1]" 1
1018 1 58 PHE HB3 1 58 PHE QD 3.000 . 4.100 2.380 2.290 2.483 . 0 0 "[ . 1]" 1
1019 1 58 PHE HB3 1 58 PHE QE 4.600 . 6.000 4.409 4.385 4.437 . 0 0 "[ . 1]" 1
1020 1 58 PHE HB3 1 59 GLU H 3.600 . 5.200 3.495 2.263 4.340 . 0 0 "[ . 1]" 1
1021 1 58 PHE QD 1 59 GLU HA 4.000 . 6.000 4.029 3.178 5.817 . 0 0 "[ . 1]" 1
1022 1 59 GLU H 1 59 GLU HA 3.000 . 4.100 2.709 2.262 2.789 . 0 0 "[ . 1]" 1
1023 1 59 GLU H 1 59 GLU HB2 2.800 . 3.800 2.581 2.178 3.395 . 0 0 "[ . 1]" 1
1024 1 59 GLU H 1 59 GLU HB3 2.900 . 3.900 3.096 2.493 4.164 0.264 10 0 "[ . 1]" 1
1025 1 59 GLU H 1 59 GLU HB3 3.000 . 4.100 2.713 2.049 3.432 . 0 0 "[ . 1]" 1
1026 1 59 GLU H 1 59 GLU QG 3.000 . 4.100 3.085 1.824 4.027 0.076 8 0 "[ . 1]" 1
1027 1 59 GLU H 1 60 GLU QB 3.700 . 5.400 4.459 4.024 5.245 . 0 0 "[ . 1]" 1
1028 1 59 GLU HA 1 59 GLU HB2 2.900 . 3.900 2.711 2.464 3.039 . 0 0 "[ . 1]" 1
1029 1 59 GLU HA 1 59 GLU HB3 2.800 . 3.800 2.701 2.375 3.035 . 0 0 "[ . 1]" 1
1030 1 59 GLU HA 1 59 GLU QG 3.100 . 4.300 2.753 2.317 3.357 . 0 0 "[ . 1]" 1
1031 1 59 GLU HA 1 62 MET QB 3.200 . 4.400 3.035 2.046 3.846 . 0 0 "[ . 1]" 1
1032 1 59 GLU HA 1 62 MET HB2 3.400 . 4.900 3.369 2.052 4.060 . 0 0 "[ . 1]" 1
1033 1 59 GLU HA 1 62 MET HB3 3.400 . 4.800 3.507 2.781 4.373 . 0 0 "[ . 1]" 1
1034 1 59 GLU QB 1 60 GLU H 2.900 . 4.000 2.133 1.951 2.300 . 0 0 "[ . 1]" 1
1035 1 59 GLU HB2 1 59 GLU QG 2.400 . 3.100 2.294 2.169 2.409 . 0 0 "[ . 1]" 1
1036 1 59 GLU HB2 1 60 GLU H 2.600 . 3.500 2.215 2.049 2.415 . 0 0 "[ . 1]" 1
1037 1 59 GLU HB3 1 59 GLU QG 2.400 . 3.100 2.323 2.168 2.421 . 0 0 "[ . 1]" 1
1038 1 59 GLU HG2 1 60 GLU H 2.600 . 3.400 2.252 2.171 2.420 . 0 0 "[ . 1]" 1
1039 1 60 GLU H 1 60 GLU HA 2.900 . 3.900 2.878 2.839 2.952 . 0 0 "[ . 1]" 1
1040 1 60 GLU H 1 60 GLU QB 3.600 . 4.300 2.108 1.980 2.209 0.020 3 0 "[ . 1]" 1
1041 1 60 GLU H 1 60 GLU QG 2.900 . 4.000 3.546 2.190 4.088 0.088 2 0 "[ . 1]" 1
1042 1 60 GLU HA 1 60 GLU QB 3.100 . 4.300 2.415 2.363 2.461 . 0 0 "[ . 1]" 1
1043 1 60 GLU HA 1 63 GLY H 3.400 . 4.800 3.387 3.038 3.852 . 0 0 "[ . 1]" 1
1044 1 60 GLU QB 1 61 PHE H 3.900 . 5.800 2.523 2.277 2.740 . 0 0 "[ . 1]" 1
1045 1 61 PHE H 1 61 PHE HA 3.000 . 4.100 2.845 2.812 2.899 . 0 0 "[ . 1]" 1
1046 1 61 PHE H 1 61 PHE HA 3.100 . 4.300 2.644 2.295 2.745 . 0 0 "[ . 1]" 1
1047 1 61 PHE H 1 61 PHE HB2 2.300 . 3.000 2.542 2.448 2.688 . 0 0 "[ . 1]" 1
1048 1 61 PHE H 1 61 PHE HB2 2.800 . 3.800 2.514 2.421 2.643 . 0 0 "[ . 1]" 1
1049 1 61 PHE H 1 61 PHE HB3 2.400 . 3.100 2.468 2.318 2.565 . 0 0 "[ . 1]" 1
1050 1 61 PHE H 1 61 PHE HB3 2.700 . 3.600 2.279 2.141 2.529 . 0 0 "[ . 1]" 1
1051 1 61 PHE H 1 61 PHE QD 3.900 . 5.800 3.404 2.862 3.885 . 0 0 "[ . 1]" 1
1052 1 61 PHE HA 1 61 PHE HB2 2.900 . 3.900 2.449 2.368 2.500 . 0 0 "[ . 1]" 1
1053 1 61 PHE HA 1 61 PHE QD 3.300 . 4.700 2.684 2.522 2.903 . 0 0 "[ . 1]" 1
1054 1 61 PHE HA 1 64 VAL H 3.600 . 5.300 3.795 3.515 4.324 . 0 0 "[ . 1]" 1
1055 1 61 PHE HA 1 64 VAL HB 3.400 . 4.800 3.845 2.984 4.866 0.066 8 0 "[ . 1]" 1
1056 1 61 PHE HA 1 64 VAL QG 3.200 . 4.500 2.946 2.022 3.698 . 0 0 "[ . 1]" 1
1057 1 61 PHE HB2 1 61 PHE QD 2.900 . 3.900 2.517 2.438 2.598 . 0 0 "[ . 1]" 1
1058 1 61 PHE HB2 1 61 PHE QE 4.700 . 6.000 4.447 4.422 4.466 . 0 0 "[ . 1]" 1
1059 1 61 PHE HB3 1 61 PHE QD 3.000 . 4.100 2.315 2.272 2.366 . 0 0 "[ . 1]" 1
1060 1 61 PHE QD 1 62 MET HA 3.900 . 5.800 3.815 3.234 4.719 . 0 0 "[ . 1]" 1
1061 1 61 PHE QD 1 62 MET HG2 4.200 . 6.000 5.085 2.812 6.755 0.755 10 2 "[ . - +]" 1
1062 1 61 PHE QE 1 65 MET ME 3.800 . 5.600 3.455 2.501 4.267 . 0 0 "[ . 1]" 1
1063 1 61 PHE HZ 1 65 MET HB3 3.800 . 5.600 3.620 3.161 4.185 . 0 0 "[ . 1]" 1
1064 1 61 PHE HZ 1 65 MET ME 3.900 . 5.800 3.675 3.223 4.265 . 0 0 "[ . 1]" 1
1065 1 62 MET H 1 62 MET HB2 3.000 . 4.100 2.683 2.404 3.464 . 0 0 "[ . 1]" 1
1066 1 62 MET H 1 62 MET HB3 3.200 . 4.500 3.087 2.450 3.657 . 0 0 "[ . 1]" 1
1067 1 62 MET H 1 62 MET HG2 3.800 . 5.600 3.898 2.192 4.793 . 0 0 "[ . 1]" 1
1068 1 62 MET H 1 62 MET HG3 4.100 . 6.000 4.033 2.380 5.258 . 0 0 "[ . 1]" 1
1069 1 62 MET H 1 63 GLY H 3.000 . 4.100 2.600 2.246 2.862 . 0 0 "[ . 1]" 1
1070 1 62 MET HA 1 62 MET HG2 3.300 . 4.700 2.874 2.400 3.151 . 0 0 "[ . 1]" 1
1071 1 62 MET HA 1 62 MET HG3 3.600 . 5.200 3.021 2.451 3.752 . 0 0 "[ . 1]" 1
1072 1 62 MET HA 1 63 GLY H 3.700 . 5.400 3.522 3.320 3.599 . 0 0 "[ . 1]" 1
1073 1 62 MET HA 1 63 GLY H 2.300 . 3.000 2.292 2.273 2.328 . 0 0 "[ . 1]" 1
1074 1 62 MET HA 1 65 MET HB2 3.600 . 5.300 3.829 2.543 5.950 0.650 2 1 "[ + . 1]" 1
1075 1 62 MET QB 1 63 GLY H 3.200 . 4.400 2.579 1.962 3.326 0.038 2 0 "[ . 1]" 1
1076 1 62 MET HB2 1 62 MET HG2 3.000 . 4.100 2.868 2.421 3.032 . 0 0 "[ . 1]" 1
1077 1 62 MET HB2 1 62 MET HG3 2.600 . 3.400 2.424 2.341 2.465 . 0 0 "[ . 1]" 1
1078 1 62 MET HB2 1 63 GLY H 3.900 . 5.800 3.438 2.347 4.028 . 0 0 "[ . 1]" 1
1079 1 62 MET HB3 1 62 MET HG2 2.400 . 3.100 2.643 2.452 3.029 . 0 0 "[ . 1]" 1
1080 1 62 MET HB3 1 62 MET HG3 2.900 . 4.000 2.870 2.428 3.033 . 0 0 "[ . 1]" 1
1081 1 62 MET HB3 1 63 GLY H 3.500 . 5.000 2.992 1.973 4.271 0.027 2 0 "[ . 1]" 1
1082 1 62 MET ME 1 66 THR MG 3.100 . 4.300 3.395 2.659 4.360 0.060 4 0 "[ . 1]" 1
1083 1 62 MET HG2 1 66 THR MG 2.800 . 6.000 4.211 3.051 5.501 . 0 0 "[ . 1]" 1
1084 1 63 GLY H 1 63 GLY HA2 2.800 . 3.800 2.871 2.796 2.957 . 0 0 "[ . 1]" 1
1085 1 63 GLY H 1 64 VAL H 2.700 . 3.600 2.603 2.266 2.846 . 0 0 "[ . 1]" 1
1086 1 63 GLY HA2 1 64 VAL H 4.000 . 6.000 3.546 3.495 3.580 . 0 0 "[ . 1]" 1
1087 1 63 GLY HA3 1 64 VAL H 3.500 . 5.100 2.853 2.756 2.993 . 0 0 "[ . 1]" 1
1088 1 63 GLY HA3 1 64 VAL H 2.500 . 3.300 2.554 2.506 2.623 . 0 0 "[ . 1]" 1
1089 1 64 VAL H 1 64 VAL HB 2.400 . 3.100 2.657 2.497 3.577 0.477 8 0 "[ . 1]" 1
1090 1 64 VAL H 1 64 VAL QG 2.700 . 3.600 2.044 1.743 2.263 0.057 8 0 "[ . 1]" 1
1091 1 64 VAL H 1 65 MET H 2.500 . 3.300 2.549 2.452 2.704 . 0 0 "[ . 1]" 1
1092 1 64 VAL HA 1 64 VAL HB 2.900 . 3.900 2.823 2.454 3.043 . 0 0 "[ . 1]" 1
1093 1 64 VAL HA 1 64 VAL QG 3.000 . 3.600 2.190 2.138 2.307 . 0 0 "[ . 1]" 1
1094 1 64 VAL HA 1 65 MET H 3.600 . 5.200 3.530 3.441 3.577 . 0 0 "[ . 1]" 1
1095 1 64 VAL HB 1 65 MET H 3.400 . 4.800 2.600 1.987 3.640 0.013 2 0 "[ . 1]" 1
1096 1 64 VAL HB 1 65 MET H 3.300 . 4.600 2.556 1.966 3.533 0.034 2 0 "[ . 1]" 1
1097 1 64 VAL MG1 1 64 VAL MG2 2.100 . 2.600 2.089 2.083 2.096 . 0 0 "[ . 1]" 1
1098 1 64 VAL QG 1 65 MET H 3.400 . 4.900 2.899 2.216 3.311 . 0 0 "[ . 1]" 1
1099 1 64 VAL QG 1 65 MET HA 3.200 . 4.500 3.401 3.167 3.776 . 0 0 "[ . 1]" 1
1100 1 65 MET H 1 65 MET HA 2.900 . 4.000 2.597 2.211 2.838 . 0 0 "[ . 1]" 1
1101 1 65 MET H 1 65 MET HB2 3.100 . 4.300 2.633 2.370 3.724 . 0 0 "[ . 1]" 1
1102 1 65 MET H 1 65 MET HB2 3.200 . 4.500 2.549 2.219 3.480 . 0 0 "[ . 1]" 1
1103 1 65 MET H 1 65 MET HB3 3.400 . 4.900 2.672 2.044 3.474 . 0 0 "[ . 1]" 1
1104 1 65 MET HA 1 65 MET HB2 2.900 . 3.900 2.755 2.422 3.038 . 0 0 "[ . 1]" 1
1105 1 65 MET HA 1 65 MET HB3 2.600 . 3.400 2.714 2.448 3.038 . 0 0 "[ . 1]" 1
1106 1 65 MET HA 1 65 MET ME 3.800 . 5.600 3.725 1.932 4.621 0.068 6 0 "[ . 1]" 1
1107 1 65 MET HA 1 65 MET QG 3.100 . 4.300 2.685 2.294 3.360 . 0 0 "[ . 1]" 1
1108 1 65 MET HA 1 66 THR H 2.500 . 3.300 2.541 2.041 2.834 . 0 0 "[ . 1]" 1
1109 1 65 MET HB2 1 66 THR H 3.400 . 4.900 3.687 2.558 4.518 . 0 0 "[ . 1]" 1
1110 1 65 MET HB2 1 66 THR MG 3.700 . 5.400 3.960 3.011 4.837 . 0 0 "[ . 1]" 1
1111 1 65 MET HB3 1 65 MET QG 2.600 . 3.400 2.349 2.174 2.385 . 0 0 "[ . 1]" 1
1112 1 65 MET HB3 1 66 THR H 3.100 . 4.300 3.236 2.054 4.293 . 0 0 "[ . 1]" 1
1113 1 65 MET HB3 1 66 THR MG 3.200 . 4.500 3.477 2.770 4.757 0.257 2 0 "[ . 1]" 1
1114 1 66 THR H 1 66 THR HA 3.000 . 4.200 2.746 2.252 2.979 . 0 0 "[ . 1]" 1
1115 1 66 THR H 1 66 THR MG 2.600 . 3.400 2.697 2.350 3.338 . 0 0 "[ . 1]" 1
1116 1 66 THR H 1 67 GLY H 2.600 . 3.500 2.853 2.051 3.738 0.238 8 0 "[ . 1]" 1
1117 1 66 THR HA 1 66 THR HB 2.500 . 3.300 2.497 2.372 2.586 . 0 0 "[ . 1]" 1
1118 1 66 THR HA 1 67 GLY H 2.700 . 3.600 2.933 2.487 3.313 . 0 0 "[ . 1]" 1
1119 1 66 THR HA 1 66 THR MG 3.000 . 4.100 2.420 2.243 3.237 . 0 0 "[ . 1]" 1
1120 1 66 THR HA 1 67 GLY H 2.900 . 4.000 3.090 2.502 3.587 . 0 0 "[ . 1]" 1
1121 1 66 THR HA 1 69 ASP HB2 3.800 . 5.600 4.658 3.357 5.770 0.170 10 0 "[ . 1]" 1
1122 1 66 THR HB 1 66 THR MG 2.400 . 3.100 2.138 2.096 2.147 . 0 0 "[ . 1]" 1
1123 1 67 GLY H 1 67 GLY QA 2.200 . 2.800 2.282 2.193 2.361 . 0 0 "[ . 1]" 1
1124 1 67 GLY H 1 68 GLY H 3.400 . 4.800 3.311 2.136 4.198 . 0 0 "[ . 1]" 1
1125 1 67 GLY HA2 1 68 GLY H 2.300 . 3.000 2.224 1.977 2.470 . 0 0 "[ . 1]" 1
1126 1 68 GLY QA 1 69 ASP H 2.900 . 3.900 2.687 2.196 2.941 . 0 0 "[ . 1]" 1
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