NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389540 |
1no8   |
5764 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1no8
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 706
_Distance_constraint_stats_list.Viol_count 905
_Distance_constraint_stats_list.Viol_total 424.006
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0044
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0146
_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 29 GLY 0.859 0.267 22 0 "[ . 1 . 2 . 3 ]"
1 30 LYS 0.916 0.267 22 0 "[ . 1 . 2 . 3 ]"
1 31 LEU 0.188 0.031 7 0 "[ . 1 . 2 . 3 ]"
1 32 LEU 0.550 0.033 4 0 "[ . 1 . 2 . 3 ]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 34 SER 0.030 0.013 13 0 "[ . 1 . 2 . 3 ]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 36 LEU 0.055 0.011 8 0 "[ . 1 . 2 . 3 ]"
1 37 ASP 0.075 0.027 8 0 "[ . 1 . 2 . 3 ]"
1 38 PHE 0.059 0.030 23 0 "[ . 1 . 2 . 3 ]"
1 39 GLY 0.063 0.041 32 0 "[ . 1 . 2 . 3 ]"
1 40 VAL 0.350 0.041 32 0 "[ . 1 . 2 . 3 ]"
1 41 SER 0.205 0.031 11 0 "[ . 1 . 2 . 3 ]"
1 42 ASP 0.017 0.016 23 0 "[ . 1 . 2 . 3 ]"
1 43 ALA 0.292 0.019 13 0 "[ . 1 . 2 . 3 ]"
1 44 ASP 0.254 0.031 11 0 "[ . 1 . 2 . 3 ]"
1 45 ILE 0.859 0.035 4 0 "[ . 1 . 2 . 3 ]"
1 46 GLN 0.456 0.026 25 0 "[ . 1 . 2 . 3 ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 48 LEU 1.600 0.032 4 0 "[ . 1 . 2 . 3 ]"
1 49 PHE 0.451 0.035 4 0 "[ . 1 . 2 . 3 ]"
1 50 ALA 0.365 0.021 25 0 "[ . 1 . 2 . 3 ]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 52 PHE 0.628 0.032 4 0 "[ . 1 . 2 . 3 ]"
1 53 GLY 0.185 0.122 18 0 "[ . 1 . 2 . 3 ]"
1 54 THR 0.414 0.122 18 0 "[ . 1 . 2 . 3 ]"
1 55 LEU 0.104 0.027 22 0 "[ . 1 . 2 . 3 ]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 57 LYS 1.861 0.042 6 0 "[ . 1 . 2 . 3 ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 59 ALA 0.024 0.014 23 0 "[ . 1 . 2 . 3 ]"
1 60 VAL 0.265 0.043 32 0 "[ . 1 . 2 . 3 ]"
1 61 HIS 0.423 0.065 15 0 "[ . 1 . 2 . 3 ]"
1 62 TYR 0.444 0.065 15 0 "[ . 1 . 2 . 3 ]"
1 65 SER 0.121 0.032 14 0 "[ . 1 . 2 . 3 ]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 67 ARG 0.314 0.034 21 0 "[ . 1 . 2 . 3 ]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 69 LEU 0.105 0.023 2 0 "[ . 1 . 2 . 3 ]"
1 70 GLY 0.188 0.056 19 0 "[ . 1 . 2 . 3 ]"
1 71 THR 0.229 0.056 19 0 "[ . 1 . 2 . 3 ]"
1 72 ALA 0.016 0.008 23 0 "[ . 1 . 2 . 3 ]"
1 73 ASP 0.097 0.043 32 0 "[ . 1 . 2 . 3 ]"
1 74 VAL 0.146 0.031 7 0 "[ . 1 . 2 . 3 ]"
1 75 HIS 2.127 0.042 6 0 "[ . 1 . 2 . 3 ]"
1 76 PHE 0.016 0.007 2 0 "[ . 1 . 2 . 3 ]"
1 77 GLU 0.174 0.051 10 0 "[ . 1 . 2 . 3 ]"
1 78 ARG 0.087 0.017 18 0 "[ . 1 . 2 . 3 ]"
1 79 LYS 0.809 0.042 18 0 "[ . 1 . 2 . 3 ]"
1 80 ALA 0.583 0.042 18 0 "[ . 1 . 2 . 3 ]"
1 81 ASP 0.023 0.009 15 0 "[ . 1 . 2 . 3 ]"
1 82 ALA 0.434 0.041 20 0 "[ . 1 . 2 . 3 ]"
1 83 LEU 0.300 0.023 13 0 "[ . 1 . 2 . 3 ]"
1 84 LYS 0.020 0.004 21 0 "[ . 1 . 2 . 3 ]"
1 85 ALA 0.020 0.004 21 0 "[ . 1 . 2 . 3 ]"
1 86 MET 0.938 0.029 27 0 "[ . 1 . 2 . 3 ]"
1 87 LYS 0.710 0.026 24 0 "[ . 1 . 2 . 3 ]"
1 88 GLN 0.025 0.006 3 0 "[ . 1 . 2 . 3 ]"
1 89 TYR 0.450 0.023 12 0 "[ . 1 . 2 . 3 ]"
1 90 ASN 0.164 0.020 4 0 "[ . 1 . 2 . 3 ]"
1 91 GLY 0.013 0.013 17 0 "[ . 1 . 2 . 3 ]"
1 92 VAL 0.594 0.026 17 0 "[ . 1 . 2 . 3 ]"
1 93 PRO 0.575 0.026 17 0 "[ . 1 . 2 . 3 ]"
1 94 LEU 0.024 0.011 10 0 "[ . 1 . 2 . 3 ]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 97 ARG 0.099 0.027 8 0 "[ . 1 . 2 . 3 ]"
1 98 PRO 0.020 0.011 6 0 "[ . 1 . 2 . 3 ]"
1 99 MET 0.482 0.027 10 0 "[ . 1 . 2 . 3 ]"
1 100 ASN 0.033 0.013 13 0 "[ . 1 . 2 . 3 ]"
1 101 ILE 1.324 0.062 15 0 "[ . 1 . 2 . 3 ]"
1 102 GLN 0.944 0.041 17 0 "[ . 1 . 2 . 3 ]"
1 103 LEU 0.392 0.060 11 0 "[ . 1 . 2 . 3 ]"
1 104 VAL 0.078 0.060 11 0 "[ . 1 . 2 . 3 ]"
1 105 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
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 29 GLY H 1 76 PHE H . . 5.000 3.514 2.902 4.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 29 GLY HA2 1 30 LYS H . . 5.000 2.327 2.158 2.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 29 GLY HA3 1 30 LYS H . . 3.300 3.022 2.505 3.567 0.267 22 0 "[ . 1 . 2 . 3 ]" 1
4 1 30 LYS H 1 30 LYS QG . . 5.000 3.369 2.214 4.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 30 LYS HA 1 31 LEU H . . 2.700 2.117 1.967 2.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 30 LYS HA 1 75 HIS HA . . 3.300 2.521 2.087 3.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 30 LYS HA 1 75 HIS HD2 . . 5.000 4.008 2.444 5.019 0.019 14 0 "[ . 1 . 2 . 3 ]" 1
8 1 30 LYS HA 1 76 PHE H . . 5.000 3.240 2.506 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 31 LEU H 1 31 LEU MD2 . . 5.000 3.982 3.529 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 31 LEU H 1 74 VAL HB . . 5.000 3.627 3.078 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 31 LEU H 1 74 VAL O . . 2.000 1.878 1.806 2.004 0.004 16 0 "[ . 1 . 2 . 3 ]" 1
12 1 31 LEU H 1 75 HIS HA . . 5.000 3.580 3.237 3.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 31 LEU HA 1 31 LEU MD2 . . 3.300 2.193 2.114 2.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 31 LEU HA 1 32 LEU H . . 2.700 2.117 2.020 2.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 31 LEU HA 1 74 VAL H . . 6.500 4.857 4.644 5.109 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 31 LEU HA 1 103 LEU HA . . 3.300 2.631 2.113 3.323 0.023 7 0 "[ . 1 . 2 . 3 ]" 1
17 1 31 LEU HB2 1 74 VAL HB . . 5.000 3.130 2.175 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 31 LEU HB2 1 82 ALA MB . . 5.000 3.632 2.163 4.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 31 LEU HB3 1 32 LEU H . . 5.000 3.679 2.428 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 31 LEU HB3 1 74 VAL HB . . 5.000 3.271 2.204 4.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 31 LEU QD 1 74 VAL HB . . 5.000 3.125 2.379 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 31 LEU QD 1 82 ALA HA . . 5.000 2.921 2.271 3.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 31 LEU QD 1 82 ALA MB . . 3.300 2.389 2.105 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 31 LEU MD2 1 103 LEU HA . . 3.300 2.708 2.058 3.308 0.008 13 0 "[ . 1 . 2 . 3 ]" 1
25 1 31 LEU N 1 74 VAL O . 2.700 3.000 2.865 2.789 2.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 31 LEU O 1 74 VAL H . . 2.000 1.952 1.818 2.031 0.031 7 0 "[ . 1 . 2 . 3 ]" 1
27 1 31 LEU O 1 74 VAL N . 2.700 3.000 2.940 2.804 3.019 0.019 7 0 "[ . 1 . 2 . 3 ]" 1
28 1 32 LEU H 1 32 LEU MD1 . . 5.000 4.338 4.239 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 32 LEU H 1 32 LEU MD2 . . 5.000 4.340 4.219 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 32 LEU H 1 32 LEU HG . . 5.000 4.377 4.293 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 32 LEU H 1 102 GLN H . . 5.000 3.246 3.005 3.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 32 LEU H 1 102 GLN O . . 2.000 1.858 1.781 2.001 0.019 29 0 "[ . 1 . 2 . 3 ]" 1
33 1 32 LEU H 1 103 LEU HA . . 5.000 3.461 2.838 4.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 32 LEU HA 1 33 VAL H . . 2.700 2.150 2.090 2.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 32 LEU HA 1 33 VAL HB . . 6.500 4.712 4.424 5.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 32 LEU HA 1 33 VAL MG2 . . 5.000 3.603 3.300 3.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 32 LEU HB3 1 32 LEU MD1 . . 3.300 3.252 3.228 3.269 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 32 LEU HB3 1 102 GLN HG2 . . 5.000 3.757 2.379 5.028 0.028 13 0 "[ . 1 . 2 . 3 ]" 1
39 1 32 LEU HB3 1 102 GLN HG3 . . 5.000 4.960 3.839 5.033 0.033 4 0 "[ . 1 . 2 . 3 ]" 1
40 1 32 LEU MD1 1 33 VAL H . . 5.000 2.619 2.254 3.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 32 LEU HG 1 33 VAL H . . 5.000 3.399 2.724 3.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 32 LEU HG 1 33 VAL HA . . 5.000 4.263 3.744 4.873 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 32 LEU HG 1 102 GLN H . . 5.000 4.380 4.031 5.003 0.003 25 0 "[ . 1 . 2 . 3 ]" 1
44 1 32 LEU N 1 102 GLN O . 2.700 3.000 2.842 2.787 2.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 32 LEU O 1 102 GLN H . . 2.000 1.922 1.836 2.015 0.015 25 0 "[ . 1 . 2 . 3 ]" 1
46 1 32 LEU O 1 102 GLN N . 2.700 3.000 2.914 2.836 3.010 0.010 25 0 "[ . 1 . 2 . 3 ]" 1
47 1 33 VAL H 1 33 VAL HB . . 3.300 2.694 2.515 3.021 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 33 VAL H 1 72 ALA H . . 5.000 3.133 2.867 3.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
49 1 33 VAL H 1 72 ALA O . . 2.000 1.884 1.811 1.948 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 33 VAL H 1 74 VAL H . . 6.000 4.606 4.124 4.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 33 VAL HA 1 33 VAL MG1 . . 3.300 2.339 2.218 2.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 33 VAL HA 1 33 VAL MG2 . . 3.300 2.559 2.431 2.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 33 VAL HA 1 34 SER H . . 2.700 2.175 2.091 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 33 VAL HB 1 34 SER H . . 5.000 4.138 3.720 4.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 33 VAL MG1 1 34 SER H . . 5.000 2.834 2.424 3.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 33 VAL MG2 1 34 SER H . . 6.500 4.244 4.109 4.421 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 33 VAL MG2 1 49 PHE HZ . . 5.000 2.464 2.178 4.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 33 VAL MG2 1 74 VAL HB . . 5.000 3.747 2.820 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 33 VAL MG2 1 74 VAL MG2 . . 5.000 2.642 2.186 3.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 33 VAL N 1 72 ALA O . 2.700 3.000 2.875 2.799 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 33 VAL O 1 72 ALA H . . 2.000 1.866 1.802 1.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 33 VAL O 1 72 ALA N . 2.700 3.000 2.842 2.771 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 34 SER H 1 100 ASN H . . 5.000 3.252 2.998 3.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 34 SER H 1 100 ASN HB2 . . 6.500 5.135 4.561 5.524 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 34 SER H 1 100 ASN HB3 . . 5.000 3.624 2.922 4.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 34 SER H 1 100 ASN O . . 2.000 1.870 1.797 2.009 0.009 12 0 "[ . 1 . 2 . 3 ]" 1
67 1 34 SER HA 1 35 ASN H . . 3.300 2.357 2.244 2.475 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 34 SER HA 1 36 LEU H . . 5.000 3.649 3.127 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 34 SER HA 1 71 THR HA . . 3.300 2.465 2.290 3.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 34 SER HA 1 71 THR MG . . 5.000 2.469 2.099 3.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 34 SER HB2 1 35 ASN H . . 5.000 3.521 2.932 3.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 34 SER HB2 1 35 ASN HA . . 6.500 5.295 4.565 5.520 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 34 SER HB2 1 71 THR MG . . 5.000 4.305 3.919 4.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 34 SER HB3 1 35 ASN H . . 5.000 2.373 2.185 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 34 SER HB3 1 35 ASN HA . . 5.000 4.362 4.238 4.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 34 SER HB3 1 71 THR MG . . 5.000 3.406 2.546 4.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 34 SER HB3 1 100 ASN H . . 6.500 4.900 4.572 5.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 34 SER N 1 100 ASN O . 2.700 3.000 2.814 2.751 2.910 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 34 SER O 1 100 ASN H . . 2.000 1.941 1.880 2.013 0.013 13 0 "[ . 1 . 2 . 3 ]" 1
80 1 34 SER O 1 100 ASN N . 2.700 3.000 2.935 2.839 3.002 0.002 10 0 "[ . 1 . 2 . 3 ]" 1
81 1 35 ASN H 1 36 LEU H . . 3.300 2.777 2.634 3.047 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 35 ASN H 1 71 THR MG . . 5.000 3.706 2.937 4.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 35 ASN HA 1 36 LEU H . . 5.000 2.578 2.228 2.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 35 ASN HB2 1 36 LEU H . . 5.000 4.606 4.538 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 35 ASN HB2 1 100 ASN H . . 6.000 4.151 3.769 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 35 ASN HB2 1 100 ASN HB2 . . 5.000 4.026 3.381 4.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 35 ASN HB2 1 100 ASN HB3 . . 5.000 3.508 2.923 4.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 35 ASN HB3 1 36 LEU H . . 5.000 4.404 4.275 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 35 ASN HB3 1 100 ASN H . . 6.000 2.874 2.464 3.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 35 ASN HB3 1 100 ASN HB2 . . 6.500 3.589 2.781 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 35 ASN HB3 1 100 ASN HB3 . . 6.500 3.293 2.691 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 35 ASN HD21 1 98 PRO HD2 . . 6.500 2.933 2.815 3.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 35 ASN HD21 1 98 PRO HD3 . . 6.500 4.433 4.298 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 35 ASN HD22 1 98 PRO HD2 . . 6.500 2.304 2.099 2.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 35 ASN HD22 1 98 PRO HD3 . . 6.500 4.058 3.728 4.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 36 LEU H 1 36 LEU MD1 . . 5.000 3.819 3.362 4.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 36 LEU H 1 36 LEU MD2 . . 5.000 3.760 3.262 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 36 LEU H 1 36 LEU HG . . 5.000 2.813 2.330 4.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 36 LEU H 1 37 ASP H . . 5.000 4.522 3.563 4.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 36 LEU H 1 70 GLY HA3 . . 5.000 3.079 2.466 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 36 LEU HA 1 36 LEU MD2 . . 3.300 2.200 2.135 2.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 36 LEU HA 1 40 VAL MG2 . . 5.000 3.645 2.925 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 36 LEU QB 1 70 GLY HA3 . . 5.000 3.237 2.198 4.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 36 LEU MD1 1 40 VAL HB . . 5.000 3.486 2.181 4.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 36 LEU MD1 1 40 VAL MG1 . . 5.000 2.550 2.186 3.256 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 36 LEU MD1 1 70 GLY HA3 . . 6.500 4.790 3.866 6.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 36 LEU MD1 1 71 THR HA . . 5.000 2.923 2.504 3.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 36 LEU MD2 1 37 ASP H . . 5.000 3.527 2.633 4.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 36 LEU MD2 1 40 VAL MG1 . . 3.300 2.977 2.323 3.311 0.011 8 0 "[ . 1 . 2 . 3 ]" 1
110 1 37 ASP H 1 37 ASP QB . . 3.300 2.355 2.235 2.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 37 ASP H 1 38 PHE H . . 5.000 4.620 4.312 4.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 37 ASP HA 1 38 PHE H . . 3.300 2.277 2.151 2.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 37 ASP HA 1 97 ARG HD2 . . 6.500 3.344 2.210 5.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 37 ASP HA 1 97 ARG HD3 . . 6.500 3.698 2.156 5.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 37 ASP QB 1 38 PHE H . . 5.000 3.500 3.259 3.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 37 ASP QB 1 39 GLY H . . 5.000 3.494 2.688 4.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 37 ASP QB 1 40 VAL H . . 5.000 3.574 2.870 4.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 37 ASP QB 1 40 VAL MG2 . . 5.000 2.314 2.004 3.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 37 ASP QB 1 97 ARG HD2 . . 5.000 3.364 2.280 5.000 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 37 ASP QB 1 97 ARG HD3 . . 5.000 3.887 2.146 5.027 0.027 8 0 "[ . 1 . 2 . 3 ]" 1
121 1 38 PHE H 1 38 PHE HB2 . . 3.300 2.559 2.338 2.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 38 PHE H 1 38 PHE QD . . 5.000 2.802 2.152 3.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
123 1 38 PHE H 1 39 GLY H . . 5.000 3.033 2.517 4.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 38 PHE H 1 40 VAL H . . 5.000 4.628 4.257 5.030 0.030 23 0 "[ . 1 . 2 . 3 ]" 1
125 1 38 PHE HA 1 38 PHE QD . . 3.300 2.463 2.176 3.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 38 PHE HA 1 39 GLY H . . 5.000 3.321 2.067 3.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 38 PHE HB2 1 39 GLY H . . 5.000 3.202 2.662 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 38 PHE HB3 1 39 GLY H . . 5.000 3.975 3.697 4.274 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 39 GLY H 1 40 VAL H . . 3.300 2.705 1.798 3.341 0.041 32 0 "[ . 1 . 2 . 3 ]" 1
130 1 39 GLY HA2 1 40 VAL H . . 5.000 3.252 2.490 3.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 39 GLY HA3 1 40 VAL H . . 5.000 3.339 2.753 3.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 40 VAL H 1 40 VAL HB . . 3.300 2.479 2.308 2.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 40 VAL H 1 41 SER H . . 5.000 4.572 4.282 4.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 40 VAL HA 1 40 VAL MG1 . . 3.300 2.473 2.286 2.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 40 VAL HA 1 40 VAL MG2 . . 3.300 2.351 2.276 2.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 40 VAL HB 1 41 SER H . . 6.500 4.249 3.927 4.439 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 40 VAL MG1 1 41 SER H . . 3.300 2.726 2.234 3.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 40 VAL MG1 1 44 ASP H . . 5.000 4.900 4.398 5.017 0.017 10 0 "[ . 1 . 2 . 3 ]" 1
139 1 40 VAL MG1 1 44 ASP HB2 . . 5.000 4.641 3.834 5.004 0.004 23 0 "[ . 1 . 2 . 3 ]" 1
140 1 40 VAL MG1 1 44 ASP HB3 . . 5.000 3.266 2.599 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 40 VAL MG1 1 60 VAL MG1 . . 3.300 2.821 2.116 3.307 0.007 11 0 "[ . 1 . 2 . 3 ]" 1
142 1 40 VAL MG2 1 41 SER H . . 5.000 3.947 3.578 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 40 VAL MG2 1 60 VAL MG1 . . 5.000 4.286 2.918 5.002 0.002 3 0 "[ . 1 . 2 . 3 ]" 1
144 1 40 VAL MG2 1 60 VAL MG2 . . 5.000 4.917 4.536 5.015 0.015 32 0 "[ . 1 . 2 . 3 ]" 1
145 1 41 SER H 1 41 SER HB2 . . 3.300 2.544 2.423 2.812 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 41 SER H 1 42 ASP H . . 6.500 4.586 4.419 4.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 41 SER H 1 44 ASP H . . 5.000 4.409 3.646 4.848 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 41 SER H 1 44 ASP HB2 . . 5.000 3.804 3.152 4.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 41 SER H 1 44 ASP HB3 . . 3.300 2.992 2.092 3.331 0.031 11 0 "[ . 1 . 2 . 3 ]" 1
150 1 41 SER HA 1 42 ASP H . . 3.300 2.226 2.135 2.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 41 SER HA 1 42 ASP HA . . 6.500 4.376 4.274 4.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 41 SER HB2 1 42 ASP H . . 5.000 3.919 3.523 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 41 SER HB2 1 43 ALA H . . 5.000 4.160 3.716 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 41 SER HB3 1 42 ASP H . . 3.300 2.819 2.280 3.316 0.016 23 0 "[ . 1 . 2 . 3 ]" 1
155 1 41 SER HB3 1 43 ALA H . . 5.000 3.269 2.981 3.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 42 ASP H 1 42 ASP HB2 . . 3.300 2.392 2.243 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 42 ASP H 1 43 ALA H . . 3.300 2.976 2.839 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 42 ASP H 1 60 VAL MG2 . . 5.000 3.707 2.634 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 42 ASP HA 1 45 ILE HB . . 5.000 3.192 2.612 4.322 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 42 ASP HA 1 45 ILE HG12 . . 6.500 4.675 4.013 5.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 42 ASP HA 1 45 ILE HG13 . . 5.000 4.378 3.836 5.001 0.001 4 0 "[ . 1 . 2 . 3 ]" 1
162 1 42 ASP HA 1 60 VAL MG1 . . 6.500 3.809 3.387 5.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 42 ASP HA 1 60 VAL MG2 . . 5.000 2.124 1.967 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 42 ASP HB2 1 43 ALA H . . 5.000 3.758 3.649 3.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 42 ASP HB3 1 43 ALA H . . 5.000 2.379 2.270 2.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 43 ALA H 1 43 ALA MB . . 3.300 2.213 2.192 2.229 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 43 ALA H 1 44 ASP H . . 3.000 2.869 2.776 3.002 0.002 24 0 "[ . 1 . 2 . 3 ]" 1
168 1 43 ALA HA 1 44 ASP H . . 5.000 3.573 3.560 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 43 ALA HA 1 46 GLN H . . 5.000 3.549 3.324 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 43 ALA HA 1 46 GLN HB2 . . 5.000 3.289 2.516 5.018 0.018 24 0 "[ . 1 . 2 . 3 ]" 1
171 1 43 ALA HA 1 46 GLN HB3 . . 5.000 2.567 2.169 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 43 ALA HA 1 46 GLN QG . . 5.000 4.000 2.089 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 43 ALA MB 1 44 ASP H . . 3.300 2.665 2.370 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 43 ALA MB 1 44 ASP HA . . 5.000 3.960 3.833 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 43 ALA MB 1 46 GLN QG . . 5.000 4.919 3.597 5.019 0.019 13 0 "[ . 1 . 2 . 3 ]" 1
176 1 44 ASP H 1 44 ASP HB3 . . 3.300 2.568 2.519 2.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 44 ASP H 1 45 ILE H . . 3.000 2.840 2.733 2.941 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 44 ASP HA 1 47 GLU H . . 5.000 3.786 3.602 3.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 44 ASP HA 1 47 GLU HB2 . . 5.000 3.001 2.735 3.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 45 ILE H 1 45 ILE HB . . 3.300 2.327 2.237 2.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 45 ILE H 1 45 ILE MD . . 5.000 3.783 3.231 4.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 45 ILE H 1 45 ILE HG12 . . 5.000 2.479 2.180 2.675 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 45 ILE H 1 45 ILE HG13 . . 5.000 3.654 3.610 3.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 45 ILE H 1 46 GLN H . . 3.000 2.858 2.797 2.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 45 ILE HA 1 45 ILE MD . . 3.300 2.170 2.131 2.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 45 ILE HA 1 45 ILE MG . . 3.300 2.630 2.437 2.733 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 45 ILE HA 1 48 LEU HB2 . . 5.000 5.009 4.965 5.028 0.028 18 0 "[ . 1 . 2 . 3 ]" 1
188 1 45 ILE HA 1 48 LEU HB3 . . 5.000 4.085 3.669 4.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 45 ILE HA 1 49 PHE QD . . 5.000 3.024 2.876 4.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 45 ILE HB 1 46 GLN H . . 5.000 2.603 2.362 2.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 45 ILE HB 1 49 PHE QD . . 5.000 4.939 4.793 5.035 0.035 4 0 "[ . 1 . 2 . 3 ]" 1
192 1 45 ILE MD 1 45 ILE MG . . 3.300 2.113 2.083 2.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 45 ILE MD 1 48 LEU MD1 . . 6.500 3.085 2.773 4.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 45 ILE MD 1 49 PHE QE . . 5.000 2.456 2.186 3.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 45 ILE MD 1 74 VAL MG2 . . 6.500 4.109 2.979 4.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 45 ILE HG12 1 46 GLN H . . 5.000 4.547 4.203 4.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 45 ILE HG13 1 46 GLN H . . 5.000 4.931 4.763 5.011 0.011 5 0 "[ . 1 . 2 . 3 ]" 1
198 1 45 ILE MG 1 46 GLN HA . . 6.500 3.207 3.072 3.368 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 45 ILE MG 1 46 GLN HB2 . . 5.000 4.067 3.689 4.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 45 ILE MG 1 46 GLN HB3 . . 5.000 4.831 3.637 5.026 0.026 25 0 "[ . 1 . 2 . 3 ]" 1
201 1 45 ILE MG 1 48 LEU H . . 5.000 5.007 4.952 5.016 0.016 3 0 "[ . 1 . 2 . 3 ]" 1
202 1 45 ILE MG 1 48 LEU MD2 . . 5.000 3.944 3.415 4.122 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 45 ILE MG 1 48 LEU HG . . 5.000 3.763 3.533 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 45 ILE MG 1 49 PHE H . . 5.000 4.003 3.831 4.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 45 ILE MG 1 49 PHE QD . . 5.000 2.462 2.313 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 45 ILE MG 1 74 VAL MG2 . . 3.300 2.643 2.072 3.158 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 46 GLN H 1 46 GLN QB . . 3.300 2.233 2.146 2.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 46 GLN H 1 46 GLN QG . . 5.000 3.788 2.309 4.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 46 GLN H 1 47 GLU H . . 3.300 3.028 2.901 3.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 46 GLN HA 1 47 GLU H . . 6.500 3.601 3.585 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 46 GLN HA 1 49 PHE H . . 5.000 4.143 3.853 4.301 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 46 GLN HA 1 49 PHE HB3 . . 5.000 4.864 4.561 5.005 0.005 30 0 "[ . 1 . 2 . 3 ]" 1
213 1 46 GLN HA 1 50 ALA H . . 5.000 4.056 3.796 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 46 GLN HA 1 55 LEU MD1 . . 5.000 3.492 2.296 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 46 GLN HA 1 58 ALA MB . . 5.000 2.423 2.049 3.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 46 GLN QB 1 55 LEU MD1 . . 5.000 4.198 2.670 4.881 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 46 GLN QB 1 58 ALA MB . . 5.000 2.637 2.127 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 46 GLN HB2 1 47 GLU H . . 5.000 3.716 2.474 3.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 46 GLN HB3 1 47 GLU H . . 5.000 2.586 2.319 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 46 GLN QG 1 47 GLU H . . 5.000 3.492 2.316 4.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
221 1 46 GLN QG 1 49 PHE H . . 6.500 5.678 5.441 6.070 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 46 GLN QG 1 50 ALA MB . . 5.000 3.657 3.173 5.010 0.010 5 0 "[ . 1 . 2 . 3 ]" 1
223 1 46 GLN QG 1 55 LEU MD1 . . 5.000 2.886 2.179 4.556 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 46 GLN QG 1 58 ALA MB . . 5.000 2.655 2.038 4.003 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 47 GLU H 1 47 GLU QB . . 2.700 2.363 2.338 2.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 47 GLU H 1 47 GLU QG . . 3.300 2.436 2.309 2.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 47 GLU H 1 48 LEU H . . 3.000 2.918 2.881 2.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 47 GLU HA 1 50 ALA H . . 5.000 3.686 3.559 3.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 47 GLU HA 1 50 ALA MB . . 3.300 2.561 2.414 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 47 GLU QB 1 48 LEU H . . 3.300 2.589 2.508 2.731 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 47 GLU QB 1 50 ALA MB . . 5.000 4.265 4.075 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 47 GLU QG 1 48 LEU H . . 5.000 4.298 4.243 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 47 GLU QG 1 50 ALA MB . . 5.000 4.261 3.906 4.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 48 LEU H 1 48 LEU HB3 . . 3.300 2.392 2.147 2.431 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 48 LEU H 1 48 LEU MD2 . . 5.000 3.392 3.336 3.489 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 48 LEU H 1 48 LEU HG . . 3.300 2.796 2.694 3.322 0.022 4 0 "[ . 1 . 2 . 3 ]" 1
237 1 48 LEU H 1 49 PHE H . . 3.000 2.841 2.772 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 48 LEU HA 1 49 PHE H . . 6.500 3.584 3.559 3.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 48 LEU HA 1 52 PHE H . . 5.000 4.880 4.638 5.023 0.023 25 0 "[ . 1 . 2 . 3 ]" 1
240 1 48 LEU HB2 1 49 PHE H . . 5.000 4.072 4.028 4.192 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 48 LEU HB2 1 49 PHE QD . . 5.000 4.961 4.836 5.017 0.017 18 0 "[ . 1 . 2 . 3 ]" 1
242 1 48 LEU HB3 1 49 PHE H . . 5.000 3.940 3.636 4.001 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 48 LEU HB3 1 49 PHE QD . . 5.000 5.002 4.879 5.022 0.022 5 0 "[ . 1 . 2 . 3 ]" 1
244 1 48 LEU MD1 1 89 TYR QD . . 6.500 4.449 3.543 4.876 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 48 LEU MD1 1 89 TYR QE . . 6.500 4.371 3.022 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 48 LEU MD2 1 49 PHE QD . . 5.000 3.552 3.443 3.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 48 LEU MD2 1 49 PHE QE . . 5.000 3.587 3.327 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 48 LEU MD2 1 89 TYR QD . . 6.500 6.022 4.563 6.501 0.001 1 0 "[ . 1 . 2 . 3 ]" 1
249 1 48 LEU MD2 1 89 TYR QE . . 6.500 6.015 4.470 6.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 48 LEU HG 1 49 PHE H . . 5.000 2.321 2.260 2.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 48 LEU HG 1 49 PHE QD . . 5.000 2.424 2.312 2.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 48 LEU HG 1 49 PHE QE . . 5.000 3.925 3.688 4.034 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 48 LEU HG 1 50 ALA H . . 5.000 5.010 4.978 5.021 0.021 25 0 "[ . 1 . 2 . 3 ]" 1
254 1 48 LEU HG 1 52 PHE HZ . . 5.000 4.970 4.782 5.032 0.032 4 0 "[ . 1 . 2 . 3 ]" 1
255 1 49 PHE H 1 49 PHE HB2 . . 3.300 2.299 2.265 2.356 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 49 PHE H 1 49 PHE QD . . 5.000 2.505 2.338 3.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 49 PHE H 1 50 ALA H . . 3.000 2.752 2.726 2.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 49 PHE H 1 50 ALA MB . . 5.000 4.400 4.373 4.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 49 PHE H 1 74 VAL QG . . 6.500 4.781 4.446 5.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 49 PHE HA 1 50 ALA H . . 6.500 3.591 3.574 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 49 PHE HA 1 52 PHE H . . 5.000 3.725 3.543 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 49 PHE HA 1 52 PHE QD . . 5.000 3.766 3.565 3.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 49 PHE HA 1 55 LEU MD2 . . 5.000 4.080 3.836 4.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 49 PHE HB2 1 49 PHE QD . . 3.300 2.569 2.500 2.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 49 PHE HB2 1 50 ALA H . . 5.000 2.934 2.695 3.011 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 49 PHE HB2 1 55 LEU MD1 . . 5.000 4.348 2.606 4.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 49 PHE HB2 1 55 LEU MD2 . . 6.500 2.683 2.363 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
268 1 49 PHE HB2 1 74 VAL MG1 . . 5.000 3.504 3.029 3.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 49 PHE HB2 1 74 VAL QG . . 6.500 3.188 2.869 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 49 PHE HB3 1 49 PHE QD . . 3.300 2.345 2.294 2.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 49 PHE HB3 1 50 ALA H . . 5.000 3.459 3.346 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 49 PHE HB3 1 55 LEU MD1 . . 5.000 4.408 2.328 4.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 49 PHE HB3 1 55 LEU MD2 . . 6.500 2.334 2.106 3.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 49 PHE HB3 1 74 VAL MG1 . . 5.000 2.966 2.522 3.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 49 PHE HB3 1 74 VAL QG . . 5.000 2.875 2.462 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 49 PHE QD 1 52 PHE QD . . 5.000 4.475 4.248 4.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 49 PHE QD 1 52 PHE QE . . 6.500 2.707 2.283 3.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
278 1 49 PHE QD 1 55 LEU MD2 . . 6.500 3.733 2.819 4.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 49 PHE QD 1 74 VAL MG1 . . 5.000 3.043 2.200 3.886 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 49 PHE QD 1 74 VAL MG2 . . 5.000 3.329 2.343 4.122 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 49 PHE QD 1 89 TYR QE . . 6.500 6.104 4.476 6.510 0.010 25 0 "[ . 1 . 2 . 3 ]" 1
282 1 49 PHE QE 1 74 VAL MG1 . . 5.000 4.201 3.290 5.003 0.003 17 0 "[ . 1 . 2 . 3 ]" 1
283 1 49 PHE QE 1 74 VAL MG2 . . 5.000 3.562 2.205 4.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 49 PHE HZ 1 101 ILE MD . . 3.300 2.690 2.225 3.300 . 8 0 "[ . 1 . 2 . 3 ]" 1
285 1 50 ALA H 1 50 ALA MB . . 2.700 2.231 2.210 2.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 50 ALA H 1 51 GLU H . . 3.300 2.833 2.795 2.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 50 ALA H 1 55 LEU MD1 . . 5.000 4.455 3.695 4.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 50 ALA HA 1 53 GLY H . . 5.000 3.640 3.430 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 50 ALA MB 1 53 GLY H . . 5.000 4.890 4.705 5.001 0.001 30 0 "[ . 1 . 2 . 3 ]" 1
290 1 50 ALA MB 1 55 LEU MD1 . . 5.000 3.268 2.593 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 51 GLU H 1 51 GLU HB2 . . 3.300 2.493 2.374 2.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 51 GLU H 1 51 GLU HG2 . . 5.000 4.582 4.525 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 51 GLU H 1 51 GLU HG3 . . 5.000 4.470 4.362 4.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 51 GLU H 1 52 PHE H . . 3.300 2.839 2.622 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 51 GLU HA 1 51 GLU HG3 . . 3.300 2.631 2.342 3.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 51 GLU HA 1 53 GLY H . . 5.000 4.741 4.528 4.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 51 GLU HB2 1 52 PHE H . . 5.000 3.760 3.641 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 51 GLU HB3 1 52 PHE H . . 5.000 2.393 2.170 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 52 PHE H 1 52 PHE HB3 . . 3.300 2.906 2.703 3.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 52 PHE H 1 52 PHE QD . . 5.000 2.907 2.593 3.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 52 PHE H 1 52 PHE QE . . 5.000 4.270 4.048 4.480 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 52 PHE H 1 53 GLY H . . 3.300 2.538 2.332 2.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 52 PHE HA 1 53 GLY H . . 5.000 3.477 3.359 3.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 52 PHE HB2 1 52 PHE QD . . 3.300 2.602 2.523 2.681 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 52 PHE HB2 1 53 GLY H . . 5.000 4.095 3.838 4.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
306 1 52 PHE HB3 1 53 GLY H . . 5.000 4.392 4.248 4.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 52 PHE QD 1 89 TYR QE . . 5.000 3.178 3.008 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
308 1 52 PHE QE 1 53 GLY H . . 5.000 4.524 4.183 4.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
309 1 52 PHE QE 1 89 TYR QE . . 3.300 3.273 2.626 3.323 0.023 12 0 "[ . 1 . 2 . 3 ]" 1
310 1 53 GLY H 1 54 THR H . . 5.000 4.415 4.309 4.517 . 0 0 "[ . 1 . 2 . 3 ]" 1
311 1 53 GLY HA2 1 54 THR H . . 2.700 2.456 2.188 2.822 0.122 18 0 "[ . 1 . 2 . 3 ]" 1
312 1 53 GLY HA2 1 54 THR HA . . 5.000 4.476 4.280 4.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 53 GLY HA3 1 54 THR H . . 3.300 2.596 2.395 2.745 . 0 0 "[ . 1 . 2 . 3 ]" 1
314 1 53 GLY HA3 1 54 THR HA . . 5.000 4.556 4.378 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 54 THR H 1 54 THR HB . . 3.300 2.838 2.564 3.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 54 THR H 1 55 LEU H . . 5.000 4.310 3.990 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 54 THR HA 1 54 THR MG . . 3.300 2.278 2.181 2.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 54 THR HA 1 55 LEU H . . 3.300 2.144 2.093 2.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 54 THR HA 1 55 LEU HG . . 6.500 4.123 3.736 5.406 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 54 THR HB 1 55 LEU H . . 5.000 4.193 3.701 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 54 THR HB 1 77 GLU HB2 . . 5.000 3.276 2.320 5.051 0.051 10 0 "[ . 1 . 2 . 3 ]" 1
322 1 54 THR HB 1 77 GLU HB3 . . 5.000 4.239 2.901 5.019 0.019 2 0 "[ . 1 . 2 . 3 ]" 1
323 1 54 THR MG 1 55 LEU H . . 3.300 2.931 2.389 3.317 0.017 23 0 "[ . 1 . 2 . 3 ]" 1
324 1 54 THR MG 1 77 GLU HB2 . . 5.000 3.420 2.278 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
325 1 54 THR MG 1 77 GLU HB3 . . 5.000 3.835 2.383 4.708 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 54 THR MG 1 77 GLU HG2 . . 5.000 3.105 2.407 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 54 THR MG 1 77 GLU HG3 . . 5.000 2.665 2.140 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 55 LEU H 1 55 LEU HB3 . . 3.300 3.068 2.686 3.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 55 LEU H 1 55 LEU MD1 . . 5.000 3.721 3.525 4.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
330 1 55 LEU H 1 55 LEU MD2 . . 5.000 3.319 1.844 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 55 LEU H 1 55 LEU HG . . 3.300 2.362 2.137 3.327 0.027 22 0 "[ . 1 . 2 . 3 ]" 1
332 1 55 LEU HA 1 56 LYS H . . 3.300 2.130 2.008 2.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
333 1 55 LEU HA 1 56 LYS HB2 . . 5.000 4.514 4.183 4.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 55 LEU HA 1 57 LYS H . . 5.000 4.075 3.761 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
335 1 55 LEU HA 1 76 PHE HA . . 5.000 2.017 1.909 2.144 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 55 LEU HA 1 77 GLU H . . 5.000 2.680 2.138 3.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 55 LEU HB2 1 55 LEU MD1 . . 3.300 2.259 2.174 2.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 55 LEU HB2 1 57 LYS H . . 5.000 3.098 2.817 3.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 55 LEU HB3 1 55 LEU MD1 . . 3.300 3.104 2.435 3.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
340 1 55 LEU HB3 1 57 LYS H . . 6.500 4.798 4.481 5.229 . 0 0 "[ . 1 . 2 . 3 ]" 1
341 1 55 LEU MD1 1 56 LYS H . . 6.500 3.498 2.995 4.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 55 LEU MD1 1 57 LYS H . . 6.500 3.029 2.638 3.665 . 0 0 "[ . 1 . 2 . 3 ]" 1
343 1 55 LEU MD1 1 58 ALA MB . . 5.000 2.376 2.047 3.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 55 LEU MD1 1 74 VAL MG1 . . 5.000 2.723 1.980 3.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 55 LEU MD2 1 56 LYS H . . 6.500 4.829 4.489 5.016 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 55 LEU MD2 1 57 LYS H . . 6.500 4.884 4.604 5.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 55 LEU MD2 1 58 ALA MB . . 6.500 2.853 2.211 4.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
348 1 55 LEU MD2 1 74 VAL MG1 . . 5.000 2.366 2.066 4.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 55 LEU MD2 1 74 VAL MG2 . . 6.500 3.732 3.201 5.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 55 LEU MD2 1 76 PHE QD . . 5.000 4.599 3.741 5.003 0.003 8 0 "[ . 1 . 2 . 3 ]" 1
351 1 55 LEU MD2 1 76 PHE QE . . 6.500 3.947 2.615 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 55 LEU MD2 1 76 PHE HZ . . 5.000 4.360 2.774 4.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 56 LYS H 1 56 LYS QG . . 3.300 2.548 2.274 3.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 56 LYS H 1 57 LYS H . . 3.300 2.320 1.980 2.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 56 LYS H 1 76 PHE HA . . 5.000 2.934 2.366 3.337 . 0 0 "[ . 1 . 2 . 3 ]" 1
356 1 56 LYS H 1 77 GLU H . . 5.000 3.896 3.583 4.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
357 1 56 LYS HB2 1 57 LYS H . . 5.000 2.515 2.247 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 56 LYS HB3 1 57 LYS H . . 5.000 3.559 3.317 3.863 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 57 LYS H 1 75 HIS H . . 5.000 3.142 2.924 3.286 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 57 LYS H 1 75 HIS HB2 . . 5.000 3.782 2.296 4.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 57 LYS H 1 75 HIS HB3 . . 5.000 2.894 2.336 4.280 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 57 LYS H 1 75 HIS O . . 2.200 2.220 2.206 2.238 0.038 6 0 "[ . 1 . 2 . 3 ]" 1
363 1 57 LYS H 1 76 PHE HA . . 5.000 4.589 4.313 4.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 57 LYS HA 1 58 ALA H . . 2.700 2.233 2.172 2.310 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 57 LYS QB 1 58 ALA H . . 5.000 3.547 3.373 3.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 57 LYS HB2 1 75 HIS H . . 5.000 4.905 4.146 5.038 0.038 21 0 "[ . 1 . 2 . 3 ]" 1
367 1 57 LYS HB2 1 75 HIS HB2 . . 5.000 4.412 3.158 5.028 0.028 17 0 "[ . 1 . 2 . 3 ]" 1
368 1 57 LYS HB2 1 75 HIS HB3 . . 5.000 3.909 2.570 5.023 0.023 2 0 "[ . 1 . 2 . 3 ]" 1
369 1 57 LYS HB3 1 75 HIS H . . 6.500 3.417 2.737 3.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
370 1 57 LYS HB3 1 75 HIS HB2 . . 5.000 2.990 2.220 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 57 LYS HB3 1 75 HIS HB3 . . 5.000 2.835 2.288 3.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 57 LYS QG 1 59 ALA H . . 5.000 4.321 3.624 5.003 0.003 19 0 "[ . 1 . 2 . 3 ]" 1
373 1 57 LYS HG2 1 59 ALA MB . . 5.000 3.795 2.783 4.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 57 LYS HG3 1 59 ALA MB . . 5.000 3.971 2.908 5.005 0.005 24 0 "[ . 1 . 2 . 3 ]" 1
375 1 57 LYS N 1 75 HIS O . 2.700 3.200 3.223 3.208 3.242 0.042 6 0 "[ . 1 . 2 . 3 ]" 1
376 1 57 LYS O 1 75 HIS H . . 2.000 1.844 1.796 1.961 0.004 11 0 "[ . 1 . 2 . 3 ]" 1
377 1 57 LYS O 1 75 HIS N . 2.700 3.000 2.812 2.767 2.876 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 58 ALA H 1 58 ALA MB . . 3.300 2.613 2.395 2.741 . 0 0 "[ . 1 . 2 . 3 ]" 1
379 1 58 ALA HA 1 59 ALA H . . 2.700 2.211 2.148 2.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
380 1 58 ALA HA 1 74 VAL HA . . 3.300 2.254 2.161 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 58 ALA HA 1 74 VAL HB . . 6.500 4.841 4.505 5.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 58 ALA HA 1 74 VAL MG1 . . 5.000 3.025 2.402 3.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 58 ALA HA 1 74 VAL MG2 . . 5.000 2.693 2.384 3.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 58 ALA HA 1 75 HIS H . . 5.000 3.470 3.212 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 58 ALA MB 1 74 VAL HA . . 5.000 3.376 3.118 3.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 58 ALA MB 1 74 VAL MG1 . . 5.000 2.414 2.150 3.033 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 58 ALA MB 1 74 VAL QG . . 5.000 2.139 1.954 2.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
388 1 58 ALA MB 1 74 VAL MG2 . . 6.000 2.413 2.212 2.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 59 ALA H 1 59 ALA MB . . 3.300 2.606 2.472 2.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
390 1 59 ALA H 1 60 VAL MG2 . . 5.000 4.307 3.614 5.014 0.014 23 0 "[ . 1 . 2 . 3 ]" 1
391 1 59 ALA H 1 74 VAL HA . . 5.000 3.584 3.373 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 59 ALA H 1 74 VAL QG . . 5.000 3.218 2.867 3.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
393 1 59 ALA H 1 74 VAL MG2 . . 6.500 3.282 2.916 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 59 ALA MB 1 73 ASP H . . 5.000 3.481 3.023 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
395 1 59 ALA MB 1 73 ASP QB . . 5.000 2.802 2.375 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 60 VAL HB 1 62 TYR QE . . 3.300 2.942 2.274 3.309 0.009 23 0 "[ . 1 . 2 . 3 ]" 1
397 1 60 VAL MG1 1 62 TYR H . . 5.000 2.996 2.180 4.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 60 VAL MG1 1 62 TYR QD . . 5.000 2.680 2.114 4.814 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 60 VAL MG1 1 62 TYR QE . . 5.000 2.916 2.127 4.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 60 VAL MG1 1 71 THR H . . 5.000 3.823 3.180 4.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
401 1 60 VAL MG1 1 72 ALA HA . . 5.000 3.575 2.186 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
402 1 60 VAL MG2 1 62 TYR QE . . 6.500 3.542 2.672 4.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 60 VAL MG2 1 71 THR H . . 6.500 5.741 4.929 6.519 0.019 19 0 "[ . 1 . 2 . 3 ]" 1
404 1 60 VAL MG2 1 73 ASP H . . 5.000 4.408 3.571 5.043 0.043 32 0 "[ . 1 . 2 . 3 ]" 1
405 1 61 HIS HE1 1 62 TYR HB2 . . 5.000 4.904 4.314 5.065 0.065 15 0 "[ . 1 . 2 . 3 ]" 1
406 1 61 HIS HE1 1 62 TYR QD . . 5.000 3.578 2.617 5.038 0.038 24 0 "[ . 1 . 2 . 3 ]" 1
407 1 62 TYR H 1 62 TYR QD . . 5.000 2.358 2.016 3.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
408 1 62 TYR H 1 62 TYR QE . . 5.000 4.388 3.877 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 65 SER H 1 65 SER QB . . 3.300 2.571 2.355 3.232 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 65 SER HA 1 66 GLY H . . 5.000 2.712 2.157 3.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 65 SER QB 1 66 GLY H . . 5.000 2.833 2.092 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 65 SER QB 1 67 ARG H . . 3.300 3.183 2.741 3.332 0.032 14 0 "[ . 1 . 2 . 3 ]" 1
413 1 66 GLY H 1 67 ARG H . . 5.000 2.976 1.901 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 66 GLY HA2 1 67 ARG H . . 5.000 2.996 2.447 3.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 66 GLY HA3 1 67 ARG H . . 5.000 3.221 2.457 3.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
416 1 67 ARG H 1 67 ARG QB . . 3.300 2.591 2.102 3.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
417 1 67 ARG H 1 67 ARG QD . . 5.000 4.205 2.115 5.034 0.034 21 0 "[ . 1 . 2 . 3 ]" 1
418 1 67 ARG H 1 67 ARG QG . . 5.000 3.417 2.032 4.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 67 ARG H 1 68 SER H . . 5.000 4.439 3.677 4.693 . 0 0 "[ . 1 . 2 . 3 ]" 1
420 1 67 ARG HA 1 68 SER H . . 3.300 2.240 2.100 2.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 67 ARG QB 1 68 SER H . . 5.000 3.217 2.051 4.051 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 67 ARG QD 1 69 LEU MD1 . . 5.000 4.361 2.562 5.023 0.023 2 0 "[ . 1 . 2 . 3 ]" 1
423 1 67 ARG HE 1 69 LEU MD1 . . 5.000 4.193 2.252 5.007 0.007 31 0 "[ . 1 . 2 . 3 ]" 1
424 1 67 ARG QG 1 68 SER H . . 5.000 3.394 2.121 4.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 68 SER H 1 68 SER QB . . 3.300 2.487 2.397 2.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 69 LEU HA 1 69 LEU MD1 . . 3.300 2.197 2.093 2.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 69 LEU HA 1 70 GLY H . . 5.000 3.020 2.121 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 70 GLY H 1 71 THR H . . 3.300 2.867 2.298 3.356 0.056 19 0 "[ . 1 . 2 . 3 ]" 1
429 1 70 GLY HA2 1 71 THR H . . 5.000 2.543 2.117 2.941 . 0 0 "[ . 1 . 2 . 3 ]" 1
430 1 70 GLY HA3 1 71 THR H . . 5.000 3.548 3.350 3.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 71 THR HA 1 71 THR MG . . 3.300 2.438 2.300 2.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
432 1 71 THR HB 1 72 ALA H . . 5.000 3.094 2.241 4.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 71 THR HB 1 72 ALA HA . . 5.000 4.424 3.996 5.008 0.008 23 0 "[ . 1 . 2 . 3 ]" 1
434 1 71 THR MG 1 72 ALA H . . 5.000 3.193 2.218 3.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 74 VAL HA 1 74 VAL MG1 . . 3.300 2.337 2.265 2.470 . 0 0 "[ . 1 . 2 . 3 ]" 1
436 1 74 VAL HA 1 74 VAL MG2 . . 3.300 2.465 2.389 2.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 74 VAL HA 1 75 HIS H . . 2.700 2.121 2.025 2.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 74 VAL MG1 1 75 HIS H . . 5.000 2.767 2.356 3.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
439 1 74 VAL MG1 1 76 PHE QD . . 6.500 2.720 2.268 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
440 1 74 VAL MG1 1 76 PHE QE . . 5.000 2.491 2.214 2.916 . 0 0 "[ . 1 . 2 . 3 ]" 1
441 1 74 VAL MG1 1 76 PHE HZ . . 5.000 3.638 2.434 4.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 74 VAL MG2 1 75 HIS H . . 5.000 4.125 3.918 4.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 74 VAL MG2 1 76 PHE QD . . 6.500 4.792 4.274 5.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 75 HIS H 1 75 HIS HD2 . . 5.000 4.730 3.085 5.032 0.032 22 0 "[ . 1 . 2 . 3 ]" 1
445 1 75 HIS HA 1 75 HIS HD2 . . 5.000 2.808 2.269 3.431 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 75 HIS HA 1 76 PHE H . . 3.300 2.125 2.053 2.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 75 HIS HA 1 76 PHE QD . . 5.000 3.733 2.691 4.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
448 1 75 HIS HB3 1 76 PHE H . . 5.000 4.129 2.827 4.433 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 75 HIS HD2 1 76 PHE H . . 5.000 3.395 2.420 4.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 76 PHE H 1 76 PHE HB2 . . 3.300 2.235 2.096 2.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 76 PHE H 1 76 PHE QD . . 5.000 2.736 2.182 3.413 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 76 PHE HA 1 76 PHE QE . . 5.000 4.570 4.248 4.837 . 0 0 "[ . 1 . 2 . 3 ]" 1
453 1 76 PHE HA 1 77 GLU H . . 3.300 2.309 2.218 2.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 76 PHE HB2 1 76 PHE QD . . 3.300 2.587 2.447 2.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 76 PHE HB2 1 77 GLU H . . 5.000 3.996 3.671 4.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 76 PHE HB2 1 78 ARG H . . 5.000 3.940 3.220 5.007 0.007 2 0 "[ . 1 . 2 . 3 ]" 1
457 1 76 PHE HB2 1 82 ALA MB . . 5.000 2.320 2.111 2.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 76 PHE HB3 1 77 GLU H . . 5.000 2.728 2.383 3.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
459 1 76 PHE HB3 1 78 ARG H . . 5.000 2.542 2.185 3.312 . 0 0 "[ . 1 . 2 . 3 ]" 1
460 1 76 PHE HB3 1 82 ALA MB . . 5.000 2.874 2.376 3.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 76 PHE QD 1 77 GLU H . . 5.000 3.480 2.929 4.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 76 PHE QD 1 78 ARG H . . 5.000 3.642 2.765 4.920 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 76 PHE QD 1 82 ALA H . . 5.000 3.502 2.855 4.766 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 76 PHE QD 1 82 ALA HA . . 5.000 3.305 2.958 3.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 76 PHE QD 1 82 ALA MB . . 3.300 2.929 2.515 3.098 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 77 GLU H 1 77 GLU QB . . 3.300 2.393 2.165 2.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
467 1 77 GLU H 1 77 GLU QG . . 3.300 2.525 2.064 2.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 77 GLU H 1 78 ARG H . . 5.000 2.644 2.382 2.881 . 0 0 "[ . 1 . 2 . 3 ]" 1
469 1 77 GLU HA 1 78 ARG H . . 5.000 3.524 3.399 3.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
470 1 77 GLU QG 1 78 ARG H . . 5.000 3.876 1.919 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 78 ARG H 1 78 ARG QB . . 3.300 2.661 2.247 2.893 . 0 0 "[ . 1 . 2 . 3 ]" 1
472 1 78 ARG H 1 78 ARG QD . . 6.000 4.477 2.951 5.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
473 1 78 ARG H 1 78 ARG QG . . 5.000 3.266 2.519 4.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
474 1 78 ARG H 1 81 ASP H . . 5.000 4.465 3.814 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 78 ARG HA 1 79 LYS H . . 3.300 2.147 2.076 2.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 78 ARG HA 1 80 ALA H . . 6.000 4.185 3.775 4.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 78 ARG HA 1 81 ASP H . . 5.000 4.615 4.360 5.009 0.009 15 0 "[ . 1 . 2 . 3 ]" 1
478 1 78 ARG QB 1 80 ALA H . . 3.300 3.006 2.604 3.317 0.017 18 0 "[ . 1 . 2 . 3 ]" 1
479 1 78 ARG QB 1 81 ASP H . . 5.000 2.479 2.124 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 78 ARG QB 1 82 ALA MB . . 5.000 4.817 4.609 5.013 0.013 13 0 "[ . 1 . 2 . 3 ]" 1
481 1 78 ARG QG 1 81 ASP H . . 5.000 4.494 3.425 5.005 0.005 15 0 "[ . 1 . 2 . 3 ]" 1
482 1 79 LYS H 1 79 LYS QB . . 3.300 2.298 2.136 2.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 79 LYS H 1 79 LYS QE . . 5.000 4.319 2.350 4.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 79 LYS H 1 79 LYS QG . . 5.000 3.265 2.231 4.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 79 LYS H 1 80 ALA H . . 3.300 2.836 2.597 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 79 LYS QB 1 80 ALA H . . 5.000 2.661 2.240 3.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 79 LYS QB 1 82 ALA H . . 5.000 4.957 4.709 5.041 0.041 20 0 "[ . 1 . 2 . 3 ]" 1
488 1 79 LYS QE 1 80 ALA H . . 5.000 4.767 3.127 5.042 0.042 18 0 "[ . 1 . 2 . 3 ]" 1
489 1 79 LYS QE 1 82 ALA MB . . 5.000 4.518 2.110 5.030 0.030 9 0 "[ . 1 . 2 . 3 ]" 1
490 1 80 ALA H 1 80 ALA MB . . 3.300 2.226 2.209 2.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 80 ALA H 1 81 ASP H . . 3.000 2.911 2.718 3.003 0.003 32 0 "[ . 1 . 2 . 3 ]" 1
492 1 80 ALA HA 1 81 ASP H . . 6.500 3.587 3.553 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 80 ALA HA 1 83 LEU H . . 5.000 3.612 3.456 3.812 . 0 0 "[ . 1 . 2 . 3 ]" 1
494 1 80 ALA HA 1 83 LEU HB3 . . 5.000 3.073 2.387 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 80 ALA HA 1 83 LEU QD . . 3.300 3.178 2.630 3.321 0.021 20 0 "[ . 1 . 2 . 3 ]" 1
496 1 80 ALA MB 1 81 ASP H . . 3.300 2.468 2.385 2.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
497 1 80 ALA MB 1 81 ASP HA . . 5.000 3.980 3.940 4.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 80 ALA MB 1 83 LEU H . . 6.500 4.755 4.639 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 80 ALA MB 1 83 LEU QD . . 5.000 4.095 3.871 4.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 81 ASP H 1 81 ASP HB2 . . 3.300 2.366 2.144 2.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 81 ASP H 1 81 ASP HB3 . . 3.300 2.658 2.495 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 81 ASP H 1 82 ALA H . . 3.000 2.732 2.602 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1
503 1 81 ASP H 1 82 ALA HA . . 6.500 5.389 5.272 5.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 81 ASP H 1 83 LEU H . . 5.000 4.286 4.133 4.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
505 1 81 ASP HA 1 82 ALA H . . 6.500 3.582 3.546 3.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
506 1 81 ASP HA 1 84 LYS H . . 5.000 3.460 3.161 3.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 81 ASP HA 1 84 LYS QB . . 3.300 2.529 2.236 3.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 81 ASP HA 1 85 ALA H . . 5.000 4.064 3.803 4.912 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 81 ASP HB2 1 82 ALA H . . 5.000 3.826 3.522 3.934 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 81 ASP HB2 1 84 LYS H . . 6.500 5.767 5.598 6.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
511 1 81 ASP HB3 1 82 ALA H . . 3.300 2.652 2.463 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1
512 1 82 ALA H 1 82 ALA MB . . 2.700 2.209 2.132 2.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
513 1 82 ALA H 1 83 LEU H . . 3.000 2.878 2.699 2.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 82 ALA H 1 84 LYS H . . 5.000 4.352 4.193 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
515 1 82 ALA HA 1 83 LEU H . . 6.500 3.591 3.561 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
516 1 82 ALA HA 1 85 ALA H . . 5.000 3.671 3.446 3.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
517 1 82 ALA HA 1 85 ALA MB . . 3.300 2.704 2.402 2.928 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 82 ALA MB 1 83 LEU H . . 3.300 2.414 2.249 2.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
519 1 82 ALA MB 1 85 ALA H . . 6.500 4.830 4.693 4.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 83 LEU H 1 83 LEU HB2 . . 3.300 2.416 2.154 2.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 83 LEU H 1 83 LEU QD . . 5.000 3.582 2.322 3.791 . 0 0 "[ . 1 . 2 . 3 ]" 1
522 1 83 LEU H 1 83 LEU HG . . 5.000 4.091 2.388 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 83 LEU H 1 84 LYS H . . 3.000 2.890 2.799 2.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 83 LEU HA 1 86 MET QB . . 3.300 2.420 2.156 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
525 1 83 LEU HB2 1 84 LYS H . . 5.000 3.620 2.636 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 83 LEU HB3 1 84 LYS H . . 5.000 2.754 2.446 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
527 1 83 LEU QD 1 84 LYS H . . 5.000 3.831 2.863 4.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
528 1 83 LEU QD 1 86 MET H . . 5.000 4.579 4.227 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 83 LEU QD 1 86 MET QB . . 5.000 2.875 2.391 3.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
530 1 83 LEU QD 1 86 MET ME . . 3.300 2.426 2.053 3.309 0.009 24 0 "[ . 1 . 2 . 3 ]" 1
531 1 83 LEU QD 1 86 MET HG2 . . 5.000 4.553 3.547 5.023 0.023 13 0 "[ . 1 . 2 . 3 ]" 1
532 1 83 LEU QD 1 86 MET HG3 . . 5.000 4.673 3.341 5.015 0.015 18 0 "[ . 1 . 2 . 3 ]" 1
533 1 83 LEU QD 1 87 LYS H . . 5.000 3.686 3.038 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 84 LYS H 1 84 LYS QB . . 3.300 2.256 2.083 2.520 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 84 LYS H 1 85 ALA H . . 3.000 2.975 2.827 3.004 0.004 21 0 "[ . 1 . 2 . 3 ]" 1
536 1 84 LYS HA 1 85 ALA H . . 6.500 3.583 3.561 3.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 84 LYS HA 1 87 LYS H . . 5.000 3.901 3.675 4.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 84 LYS HA 1 88 GLN H . . 5.000 3.999 3.660 4.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 84 LYS QB 1 85 ALA H . . 3.300 2.378 2.163 2.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 84 LYS QB 1 85 ALA MB . . 5.000 3.822 3.663 4.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 84 LYS QB 1 86 MET H . . 6.500 4.794 4.675 5.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 85 ALA H 1 85 ALA MB . . 2.700 2.216 2.190 2.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
543 1 85 ALA H 1 86 MET H . . 3.000 2.904 2.829 2.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
544 1 85 ALA HA 1 88 GLN H . . 5.000 3.865 3.665 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 85 ALA HA 1 88 GLN HB2 . . 5.000 3.807 2.586 4.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 85 ALA HA 1 88 GLN HB3 . . 5.000 3.021 2.553 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 85 ALA HA 1 89 TYR H . . 5.000 3.975 3.751 4.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 85 ALA MB 1 86 MET H . . 3.300 2.474 2.378 2.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 85 ALA MB 1 86 MET HA . . 6.500 3.963 3.882 4.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 85 ALA MB 1 88 GLN H . . 6.500 4.910 4.801 5.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 85 ALA MB 1 89 TYR QD . . 5.000 3.428 2.919 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 85 ALA MB 1 89 TYR QE . . 6.500 4.376 3.825 5.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 86 MET H 1 86 MET QB . . 3.300 2.219 2.177 2.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 86 MET H 1 86 MET HG2 . . 5.000 4.452 4.322 4.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 86 MET H 1 86 MET HG3 . . 5.000 4.427 4.298 4.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 86 MET H 1 87 LYS H . . 3.000 3.017 3.009 3.026 0.026 24 0 "[ . 1 . 2 . 3 ]" 1
557 1 86 MET HA 1 86 MET ME . . 5.000 4.390 4.012 4.865 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 86 MET HA 1 87 LYS H . . 6.500 3.591 3.569 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 86 MET HA 1 89 TYR H . . 5.000 3.942 3.713 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 86 MET HA 1 90 ASN H . . 5.000 3.824 3.601 4.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 86 MET HA 1 101 ILE MD . . 5.000 2.899 2.258 4.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 86 MET HA 1 101 ILE MG . . 3.300 2.253 2.039 2.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
563 1 86 MET QB 1 87 LYS H . . 5.000 2.272 2.178 2.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 86 MET QB 1 87 LYS QB . . 5.000 4.010 3.652 4.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 86 MET HG2 1 87 LYS H . . 5.000 3.782 2.939 4.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 86 MET HG2 1 90 ASN QB . . 5.000 3.145 2.764 3.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 86 MET HG2 1 101 ILE HB . . 5.000 2.823 2.152 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 86 MET HG2 1 101 ILE MD . . 5.000 4.494 3.546 5.029 0.029 27 0 "[ . 1 . 2 . 3 ]" 1
569 1 86 MET HG3 1 87 LYS H . . 5.000 4.629 4.108 4.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
570 1 86 MET HG3 1 90 ASN QB . . 5.000 4.058 2.850 4.823 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 86 MET HG3 1 101 ILE HB . . 5.000 2.921 2.211 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 86 MET HG3 1 101 ILE MD . . 5.000 4.545 3.526 5.024 0.024 11 0 "[ . 1 . 2 . 3 ]" 1
573 1 87 LYS H 1 87 LYS QB . . 3.300 2.451 2.373 2.580 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 87 LYS H 1 87 LYS QG . . 3.300 2.380 2.287 2.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 87 LYS H 1 88 GLN H . . 3.000 2.820 2.764 2.924 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 87 LYS HA 1 90 ASN H . . 5.000 3.941 3.761 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 87 LYS HA 1 90 ASN QB . . 3.300 3.244 3.056 3.320 0.020 4 0 "[ . 1 . 2 . 3 ]" 1
578 1 88 GLN H 1 88 GLN HG2 . . 5.000 4.355 2.482 4.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 88 GLN H 1 88 GLN HG3 . . 5.000 4.352 2.593 4.545 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 88 GLN HA 1 89 TYR QE . . 6.500 5.704 5.416 6.039 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 88 GLN QB 1 89 TYR H . . 5.000 2.579 2.392 2.708 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 88 GLN HB2 1 89 TYR QD . . 5.000 4.093 2.304 4.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 88 GLN HB3 1 89 TYR QD . . 5.000 2.697 2.270 3.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 88 GLN HG2 1 89 TYR QD . . 5.000 3.765 2.626 5.005 0.005 3 0 "[ . 1 . 2 . 3 ]" 1
585 1 88 GLN HG2 1 89 TYR QE . . 5.000 3.262 2.618 5.006 0.006 3 0 "[ . 1 . 2 . 3 ]" 1
586 1 88 GLN HG3 1 89 TYR QD . . 5.000 3.947 2.981 4.912 . 0 0 "[ . 1 . 2 . 3 ]" 1
587 1 88 GLN HG3 1 89 TYR QE . . 5.000 3.749 3.006 5.004 0.004 14 0 "[ . 1 . 2 . 3 ]" 1
588 1 89 TYR H 1 89 TYR HB2 . . 3.300 2.410 2.325 2.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 89 TYR H 1 90 ASN H . . 3.000 2.545 2.386 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 89 TYR H 1 101 ILE MD . . 5.000 3.660 3.092 4.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 89 TYR HA 1 89 TYR QD . . 3.300 2.681 2.463 2.961 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 89 TYR HA 1 89 TYR QE . . 5.000 4.388 4.307 4.445 . 0 0 "[ . 1 . 2 . 3 ]" 1
593 1 89 TYR HA 1 90 ASN H . . 6.500 3.469 3.431 3.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 89 TYR HA 1 92 VAL H . . 5.000 3.587 3.416 3.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 89 TYR HA 1 92 VAL MG1 . . 5.000 3.792 3.651 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 89 TYR HB2 1 90 ASN H . . 5.000 3.530 3.402 3.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 89 TYR HB2 1 101 ILE MD . . 5.000 2.476 2.098 3.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 89 TYR HB3 1 89 TYR QD . . 3.300 2.466 2.345 2.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 89 TYR HB3 1 101 ILE MD . . 5.000 2.606 2.223 3.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
600 1 89 TYR QD 1 92 VAL H . . 5.000 4.840 4.667 4.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 89 TYR QD 1 92 VAL MG1 . . 5.000 2.619 2.417 2.934 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 89 TYR QD 1 92 VAL MG2 . . 5.000 2.793 2.553 3.113 . 0 0 "[ . 1 . 2 . 3 ]" 1
603 1 89 TYR QE 1 92 VAL HB . . 5.000 4.767 4.194 5.007 0.007 13 0 "[ . 1 . 2 . 3 ]" 1
604 1 90 ASN H 1 90 ASN QB . . 3.300 2.244 2.191 2.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
605 1 90 ASN HA 1 91 GLY H . . 2.700 2.113 2.086 2.132 . 0 0 "[ . 1 . 2 . 3 ]" 1
606 1 90 ASN HA 1 92 VAL H . . 6.500 3.685 3.599 3.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
607 1 90 ASN HA 1 101 ILE H . . 5.000 3.002 2.442 3.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
608 1 90 ASN HA 1 101 ILE HB . . 6.500 3.616 2.986 4.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 90 ASN HA 1 101 ILE MD . . 5.000 3.247 2.740 3.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 90 ASN QB 1 91 GLY H . . 5.000 3.909 3.843 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
611 1 90 ASN QB 1 101 ILE HB . . 5.000 2.398 2.256 2.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 90 ASN QB 1 101 ILE MD . . 5.000 3.475 2.854 4.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 90 ASN QB 1 101 ILE MG . . 6.500 3.931 3.574 4.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 91 GLY H 1 92 VAL H . . 3.300 2.623 2.456 2.736 . 0 0 "[ . 1 . 2 . 3 ]" 1
615 1 91 GLY H 1 92 VAL QG . . 6.500 4.288 4.168 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 91 GLY H 1 99 MET H . . 6.500 3.966 3.830 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
617 1 91 GLY H 1 99 MET ME . . 5.000 4.723 4.609 5.013 0.013 17 0 "[ . 1 . 2 . 3 ]" 1
618 1 91 GLY H 1 99 MET HG2 . . 6.500 6.161 5.957 6.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 91 GLY H 1 99 MET HG3 . . 6.500 5.481 5.270 5.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 91 GLY H 1 100 ASN HA . . 5.000 3.542 3.216 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 91 GLY H 1 101 ILE H . . 5.000 4.279 3.680 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 91 GLY HA3 1 92 VAL H . . 5.000 3.152 3.041 3.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 92 VAL H 1 92 VAL HB . . 3.300 2.502 2.474 2.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 92 VAL H 1 92 VAL QG . . 3.300 2.229 2.139 2.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 92 VAL H 1 99 MET H . . 5.000 4.016 3.858 4.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 92 VAL H 1 99 MET QB . . 5.000 3.525 3.230 3.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
627 1 92 VAL H 1 99 MET ME . . 5.000 3.721 3.475 4.905 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 92 VAL HA 1 92 VAL MG1 . . 3.300 2.440 2.388 2.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
629 1 92 VAL HA 1 93 PRO HD2 . . 3.300 2.479 2.403 2.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 92 VAL HA 1 93 PRO HD3 . . 3.300 2.243 2.049 2.345 . 0 0 "[ . 1 . 2 . 3 ]" 1
631 1 92 VAL HB 1 99 MET QB . . 5.000 3.637 3.303 3.859 . 0 0 "[ . 1 . 2 . 3 ]" 1
632 1 92 VAL QG 1 99 MET H . . 5.000 4.445 4.335 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
633 1 92 VAL MG1 1 93 PRO HD2 . . 3.300 2.140 2.029 2.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
634 1 92 VAL MG1 1 93 PRO HD3 . . 3.300 3.318 3.303 3.326 0.026 17 0 "[ . 1 . 2 . 3 ]" 1
635 1 92 VAL MG1 1 99 MET QB . . 5.000 4.610 4.427 4.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 92 VAL MG2 1 93 PRO HD2 . . 5.000 3.723 3.602 4.028 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 92 VAL MG2 1 93 PRO HD3 . . 5.000 4.103 3.902 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 93 PRO HA 1 94 LEU H . . 2.700 2.151 2.124 2.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
639 1 93 PRO HA 1 98 PRO HA . . 3.300 2.106 2.014 2.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 93 PRO HA 1 99 MET H . . 5.000 3.185 2.895 3.456 . 0 0 "[ . 1 . 2 . 3 ]" 1
641 1 94 LEU H 1 94 LEU HB2 . . 3.300 3.134 2.617 3.311 0.011 10 0 "[ . 1 . 2 . 3 ]" 1
642 1 94 LEU H 1 94 LEU QD . . 5.000 3.963 3.766 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
643 1 94 LEU H 1 94 LEU HG . . 5.000 4.581 4.429 5.006 0.006 9 0 "[ . 1 . 2 . 3 ]" 1
644 1 94 LEU H 1 96 GLY H . . 6.500 4.085 3.345 4.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 94 LEU H 1 97 ARG H . . 5.000 3.906 2.874 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
646 1 94 LEU H 1 98 PRO HA . . 5.000 3.535 3.299 3.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 94 LEU H 1 99 MET HG2 . . 5.000 4.406 4.053 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 94 LEU H 1 99 MET HG3 . . 5.000 3.331 2.802 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 94 LEU HA 1 95 ASP H . . 2.700 2.141 2.088 2.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
650 1 94 LEU HB2 1 95 ASP H . . 5.000 4.455 4.348 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
651 1 94 LEU HB2 1 99 MET HG2 . . 5.000 3.422 2.672 4.228 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 94 LEU HB2 1 99 MET HG3 . . 5.000 2.721 2.256 3.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 94 LEU HB3 1 95 ASP H . . 5.000 4.423 4.314 4.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 94 LEU QD 1 95 ASP H . . 5.000 2.951 2.496 3.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 94 LEU QD 1 95 ASP HB2 . . 5.000 3.798 2.646 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
656 1 95 ASP H 1 95 ASP HA . . 2.700 2.281 2.269 2.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 95 ASP H 1 96 GLY H . . 5.000 2.952 2.824 3.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
658 1 95 ASP HA 1 96 GLY H . . 3.300 2.471 2.331 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 95 ASP HB2 1 96 GLY H . . 6.500 4.518 4.280 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 95 ASP HB3 1 96 GLY H . . 6.500 4.364 4.257 4.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 96 GLY H 1 97 ARG H . . 5.000 3.495 2.796 3.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 96 GLY HA2 1 97 ARG H . . 5.000 3.537 3.311 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 96 GLY HA3 1 97 ARG H . . 5.000 2.607 2.364 3.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 97 ARG H 1 97 ARG QB . . 3.300 2.423 2.243 2.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 97 ARG H 1 97 ARG HD2 . . 5.000 3.947 2.152 4.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 97 ARG H 1 97 ARG QG . . 3.300 2.413 1.961 3.304 0.004 27 0 "[ . 1 . 2 . 3 ]" 1
667 1 97 ARG HA 1 98 PRO HD2 . . 2.700 2.211 2.104 2.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 97 ARG HA 1 98 PRO HD3 . . 2.700 2.514 2.211 2.704 0.004 19 0 "[ . 1 . 2 . 3 ]" 1
669 1 97 ARG QB 1 98 PRO HD2 . . 5.000 3.194 2.713 3.731 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 97 ARG QB 1 98 PRO HD3 . . 5.000 4.167 3.771 4.405 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 97 ARG QG 1 98 PRO HD2 . . 5.000 3.845 3.334 4.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 97 ARG QG 1 98 PRO HD3 . . 5.000 4.639 4.174 5.011 0.011 6 0 "[ . 1 . 2 . 3 ]" 1
673 1 98 PRO HA 1 99 MET H . . 2.700 2.172 2.140 2.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 99 MET H 1 99 MET HB2 . . 3.300 2.474 2.408 2.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 99 MET H 1 99 MET HG2 . . 3.300 3.313 3.260 3.327 0.027 10 0 "[ . 1 . 2 . 3 ]" 1
676 1 99 MET H 1 99 MET HG3 . . 5.000 2.211 2.049 2.260 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 99 MET HA 1 100 ASN H . . 3.300 2.168 2.131 2.229 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 99 MET HB2 1 100 ASN H . . 5.000 4.241 3.994 4.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 99 MET HG2 1 100 ASN H . . 5.000 4.346 4.077 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
680 1 99 MET HG3 1 100 ASN H . . 6.500 5.167 5.007 5.257 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 100 ASN H 1 100 ASN HB2 . . 3.300 3.022 2.802 3.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
682 1 100 ASN H 1 100 ASN HB3 . . 3.300 2.478 2.348 2.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 100 ASN H 1 101 ILE H . . 6.500 4.310 4.078 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 100 ASN HA 1 101 ILE H . . 2.700 2.195 2.134 2.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 100 ASN HA 1 101 ILE HB . . 5.000 4.854 4.668 5.002 0.002 12 0 "[ . 1 . 2 . 3 ]" 1
686 1 100 ASN HB2 1 101 ILE H . . 5.000 4.383 4.176 4.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
687 1 100 ASN HB3 1 101 ILE H . . 6.500 4.438 4.266 4.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
688 1 101 ILE H 1 101 ILE HB . . 3.300 2.802 2.612 3.007 . 0 0 "[ . 1 . 2 . 3 ]" 1
689 1 101 ILE H 1 101 ILE MD . . 5.000 3.922 3.235 4.160 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 101 ILE H 1 101 ILE HG12 . . 3.300 3.186 2.255 3.362 0.062 15 0 "[ . 1 . 2 . 3 ]" 1
691 1 101 ILE H 1 101 ILE HG13 . . 5.000 2.757 2.256 4.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
692 1 101 ILE HA 1 101 ILE MG . . 3.300 2.251 2.180 2.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 101 ILE HA 1 102 GLN H . . 2.700 2.119 2.008 2.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 101 ILE HB 1 101 ILE MD . . 3.300 2.687 2.500 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 101 ILE MD 1 102 GLN H . . 5.000 4.825 4.120 5.020 0.020 5 0 "[ . 1 . 2 . 3 ]" 1
696 1 101 ILE HG12 1 101 ILE MG . . 3.300 2.685 2.506 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 101 ILE MG 1 102 GLN H . . 3.300 2.404 2.232 2.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 102 GLN H 1 102 GLN HG2 . . 5.000 4.409 2.996 4.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 102 GLN HA 1 103 LEU H . . 2.700 2.247 2.091 2.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
700 1 102 GLN HG2 1 103 LEU H . . 3.300 3.012 2.562 3.341 0.041 17 0 "[ . 1 . 2 . 3 ]" 1
701 1 103 LEU H 1 103 LEU QB . . 3.300 2.507 2.192 3.122 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 103 LEU H 1 103 LEU QD . . 5.000 3.288 1.930 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
703 1 103 LEU H 1 103 LEU HG . . 5.000 4.254 3.594 4.932 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 103 LEU HA 1 104 VAL H . . 3.300 2.304 2.106 3.360 0.060 11 0 "[ . 1 . 2 . 3 ]" 1
705 1 103 LEU HG 1 104 VAL H . . 5.000 3.424 2.003 4.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 105 THR HA 1 105 THR MG . . 3.300 2.318 2.223 2.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
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