NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
398649 |
1tnp   |
4232 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tnp
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 626
_Distance_constraint_stats_list.Viol_count 1227
_Distance_constraint_stats_list.Viol_total 3759.434
_Distance_constraint_stats_list.Viol_max 0.944
_Distance_constraint_stats_list.Viol_rms 0.0381
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0766
_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 3 MET 1.399 0.199 38 0 "[ . 1 . 2 . 3 . 4]"
1 4 THR 0.190 0.016 10 0 "[ . 1 . 2 . 3 . 4]"
1 5 ASP 1.485 0.199 38 0 "[ . 1 . 2 . 3 . 4]"
1 6 GLN 0.106 0.018 1 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.039 0.009 30 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLU 0.002 0.001 27 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ARG 0.057 0.009 30 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.240 0.111 35 0 "[ . 1 . 2 . 3 . 4]"
1 14 LEU 0.042 0.011 13 0 "[ . 1 . 2 . 3 . 4]"
1 15 SER 1.211 0.479 34 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLU 0.069 0.007 33 0 "[ . 1 . 2 . 3 . 4]"
1 17 GLU 1.283 0.479 34 0 "[ . 1 . 2 . 3 . 4]"
1 18 MET 3.923 0.516 26 1 "[ . 1 . 2 .+ 3 . 4]"
1 19 ILE 3.931 0.516 26 1 "[ . 1 . 2 .+ 3 . 4]"
1 20 ALA 0.055 0.008 14 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLU 0.130 0.026 14 0 "[ . 1 . 2 . 3 . 4]"
1 22 PHE 6.029 0.511 11 1 "[ . 1+ . 2 . 3 . 4]"
1 23 LYS 5.678 0.511 11 1 "[ . 1+ . 2 . 3 . 4]"
1 24 ALA 4.099 0.701 6 6 "[ * *+ 1 . 2 * . - * . 4]"
1 25 ALA 0.004 0.004 24 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 0.872 0.374 13 0 "[ . 1 . 2 . 3 . 4]"
1 27 ASP 6.135 0.701 6 6 "[ * *+ 1 . 2 * . - * . 4]"
1 28 MET 0.004 0.004 24 0 "[ . 1 . 2 . 3 . 4]"
1 29 PHE 0.053 0.009 16 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.101 0.018 27 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 GLY 0.004 0.001 26 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.147 0.124 10 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLY 0.053 0.032 10 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.161 0.124 10 0 "[ . 1 . 2 . 3 . 4]"
1 37 ILE 0.920 0.374 13 0 "[ . 1 . 2 . 3 . 4]"
1 38 SER 5.229 0.659 33 1 "[ . 1 . 2 . 3 + . 4]"
1 39 THR 0.002 0.002 21 0 "[ . 1 . 2 . 3 . 4]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLU 4.847 0.659 33 1 "[ . 1 . 2 . 3 + . 4]"
1 42 LEU 4.295 0.186 11 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.320 0.047 23 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 3.519 0.126 12 0 "[ . 1 . 2 . 3 . 4]"
1 45 VAL 0.869 0.060 23 0 "[ . 1 . 2 . 3 . 4]"
1 46 MET 0.354 0.060 4 0 "[ . 1 . 2 . 3 . 4]"
1 47 ARG 5.175 0.894 31 4 "[ - . 1* . 2 * 3+ . 4]"
1 48 MET 2.904 0.365 36 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 3.073 0.204 18 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLY 0.313 0.062 7 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLN 4.739 0.589 11 3 "[ - . 1+ . 2 * 3 . 4]"
1 52 ASN 3.134 0.769 35 4 "[ . 1 * .* 2 . 3 - + 4]"
1 53 PRO 4.245 0.894 31 5 "[ . 1 * .* 2 . 3+- * 4]"
1 54 THR 0.428 0.083 9 0 "[ . 1 . 2 . 3 . 4]"
1 55 LYS 0.029 0.029 8 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.030 0.016 8 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLU 0.611 0.083 9 0 "[ . 1 . 2 . 3 . 4]"
1 58 LEU 0.081 0.029 8 0 "[ . 1 . 2 . 3 . 4]"
1 59 ASP 4.839 0.614 35 3 "[ * 1 . 2 -. 3 + 4]"
1 60 ALA 0.183 0.015 13 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 6.370 0.139 6 0 "[ . 1 . 2 . 3 . 4]"
1 62 ILE 5.485 0.614 35 3 "[ * 1 . 2 -. 3 + 4]"
1 63 GLU 0.149 0.042 8 0 "[ . 1 . 2 . 3 . 4]"
1 64 GLU 0.215 0.021 37 0 "[ . 1 . 2 . 3 . 4]"
1 65 VAL 0.389 0.066 10 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 0.376 0.066 10 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLU 0.084 0.026 8 0 "[ . 1 . 2 . 3 . 4]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 0.002 0.002 21 0 "[ . 1 . 2 . 3 . 4]"
1 73 ILE 0.052 0.012 15 0 "[ . 1 . 2 . 3 . 4]"
1 74 ASP 13.371 0.944 7 10 "[ * . + 1 **. * 2 . - * * * *4]"
1 75 PHE 7.675 0.944 7 8 "[ * . + 1 **. - 2 . * . * *4]"
1 76 GLU 0.227 0.017 35 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLU 1.820 0.701 35 2 "[ . 1 . 2 . - 3 + 4]"
1 78 PHE 0.533 0.212 6 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 0.383 0.018 14 0 "[ . 1 . 2 . 3 . 4]"
1 80 VAL 0.052 0.010 9 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 5.737 0.567 4 5 "[ +.* 1 . 2 -* 3 * . 4]"
1 82 MET 19.728 0.744 36 22 "[* **.** ** -* .* * * *** 3*****+ *4]"
1 83 VAL 14.497 0.744 36 19 "[* **. * ** -* .* * * * * 3* ***+ *4]"
1 84 ARG 0.487 0.235 27 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLN 0.302 0.051 27 0 "[ . 1 . 2 . 3 . 4]"
1 86 MET 0.591 0.298 13 0 "[ . 1 . 2 . 3 . 4]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 88 GLU 0.089 0.016 3 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 3 MET HA 1 6 GLN H 3.300 . 3.700 3.543 3.041 3.718 0.018 1 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 3 MET HB2 1 5 ASP H 3.300 . 5.000 4.841 4.010 5.199 0.199 38 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 3 MET HB3 1 5 ASP H 3.300 . 5.000 4.612 3.813 5.061 0.061 32 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 3 MET QG 1 6 GLN H 3.300 . 5.000 4.183 1.877 4.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 3 MET QG 1 6 GLN HE21 5.000 . 6.000 3.592 2.030 5.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 4 THR H 1 5 ASP H 2.700 . 2.700 2.680 2.474 2.716 0.016 10 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 4 THR HA 1 5 ASP H 3.300 . 4.300 3.372 3.129 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 5 ASP HA 1 6 GLN H 5.000 . 5.000 2.755 2.381 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 6 GLN H 1 7 GLN H 5.000 . 5.000 2.614 2.214 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 6 GLN HA 1 7 GLN H 5.000 . 5.000 3.409 2.176 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 6 GLN HA 1 9 GLU H 3.300 . 3.700 3.456 3.204 3.701 0.001 27 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 6 GLN HE22 1 6 GLN HG2 3.300 . 4.300 3.793 3.553 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 6 GLN HE22 1 6 GLN HG3 3.300 . 4.300 3.867 3.571 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 7 GLN H 1 8 ALA H 5.000 . 5.000 2.856 2.320 3.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 7 GLN H 1 80 VAL MG1 5.000 . 6.500 4.958 3.923 5.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 7 GLN H 1 80 VAL MG2 5.000 . 6.500 3.748 2.913 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 7 GLN HA 1 10 ALA H 5.000 . 5.000 4.136 3.606 4.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 8 ALA HA 1 11 ARG H 3.300 . 3.700 3.604 3.222 3.709 0.009 30 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 9 GLU H 1 9 GLU HG2 5.000 . 6.000 4.175 2.176 4.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 9 GLU H 1 9 GLU HG3 5.000 . 6.000 4.226 2.241 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 9 GLU HA 1 12 ALA H 5.000 . 5.000 3.719 3.371 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 10 ALA HA 1 13 PHE H 3.300 . 4.700 3.960 3.592 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 10 ALA HA 1 83 VAL MG1 5.000 . 9.500 2.719 1.778 3.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 10 ALA HA 1 83 VAL MG2 5.000 . 9.500 1.974 1.338 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 10 ALA MB 1 11 ARG H 3.300 . 4.800 2.453 2.125 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 10 ALA MB 1 80 VAL H 5.000 . 6.500 3.595 3.131 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 10 ALA MB 1 80 VAL HA 3.300 . 4.800 2.184 1.519 2.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 10 ALA MB 1 80 VAL MG1 3.300 . 9.300 3.790 3.151 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 10 ALA MB 1 80 VAL MG2 3.300 . 9.300 2.585 2.043 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 10 ALA MB 1 83 VAL MG1 3.300 . 9.300 3.335 2.300 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 10 ALA MB 1 83 VAL MG2 3.300 . 9.300 2.230 1.470 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 11 ARG H 1 12 ALA H 3.300 . 3.300 2.555 2.371 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 11 ARG H 1 79 LEU QB 3.300 . 5.000 4.273 3.740 4.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 11 ARG H 1 83 VAL MG1 5.000 . 9.500 5.722 4.298 6.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 11 ARG H 1 83 VAL MG2 5.000 . 9.500 4.544 3.883 6.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 11 ARG HA 1 12 ALA H 5.000 . 5.000 3.529 3.497 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 11 ARG HA 1 14 LEU H 3.300 . 4.300 3.734 3.129 4.307 0.007 30 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 11 ARG HA 1 79 LEU MD1 3.300 . 7.800 3.502 2.511 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 11 ARG HA 1 79 LEU MD2 3.300 . 7.800 4.453 2.902 5.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 11 ARG HB2 1 11 ARG HD2 3.300 . 5.300 3.379 2.361 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 11 ARG HB2 1 11 ARG HD3 3.300 . 5.300 3.148 2.085 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 11 ARG HB2 1 11 ARG HE 5.000 . 6.000 3.520 2.176 4.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 11 ARG HB3 1 11 ARG HD2 3.300 . 5.300 3.233 2.171 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 11 ARG HB3 1 11 ARG HD3 3.300 . 5.300 3.337 2.319 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 11 ARG HB3 1 11 ARG HE 5.000 . 6.000 3.447 1.909 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 12 ALA H 1 13 PHE H 5.000 . 5.000 2.736 2.434 3.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 12 ALA HA 1 13 PHE H 5.000 . 5.000 3.485 3.033 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 13 PHE H 1 13 PHE HB2 2.700 . 3.300 2.728 2.290 3.411 0.111 35 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 13 PHE H 1 13 PHE HB3 3.300 . 3.300 2.641 2.204 3.405 0.105 35 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 13 PHE H 1 13 PHE QD 5.000 . 7.000 4.256 2.463 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 13 PHE H 1 14 LEU H 3.300 . 3.300 2.603 1.899 3.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 13 PHE H 1 14 LEU HG 3.300 . 4.300 3.891 2.873 4.311 0.011 13 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 13 PHE HA 1 13 PHE HB2 2.700 . 3.700 2.531 2.286 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 13 PHE HA 1 13 PHE HB3 2.700 . 3.700 3.047 2.243 3.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 13 PHE HA 1 13 PHE QD 2.700 . 4.700 2.529 1.822 3.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 13 PHE HB2 1 14 LEU H 5.000 . 5.000 3.970 3.510 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 13 PHE HB2 1 83 VAL MG1 5.000 . 10.500 3.806 2.914 5.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 13 PHE HB2 1 83 VAL MG2 5.000 . 10.500 3.771 2.692 6.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 13 PHE HB3 1 14 LEU H 5.000 . 5.000 2.960 2.134 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 13 PHE HB3 1 83 VAL MG1 5.000 . 10.500 3.737 2.104 5.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 13 PHE HB3 1 83 VAL MG2 5.000 . 10.500 3.055 1.983 7.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 13 PHE QD 1 83 VAL MG1 3.300 . 6.800 3.065 1.569 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 13 PHE QD 1 83 VAL MG2 3.300 . 6.800 2.997 1.538 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 13 PHE QD 1 86 MET HB2 5.000 . 8.000 5.579 3.879 6.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 13 PHE QD 1 86 MET HB3 5.000 . 8.000 5.297 4.315 6.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 13 PHE QE 1 83 VAL MG1 5.000 . 11.500 4.067 2.200 5.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 13 PHE QE 1 83 VAL MG2 5.000 . 11.500 4.325 2.713 5.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 13 PHE QE 1 86 MET HB2 5.000 . 8.000 4.785 2.655 6.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 13 PHE QE 1 86 MET HB3 5.000 . 8.000 4.025 2.390 6.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 14 LEU H 1 14 LEU QB 3.300 . 4.300 2.904 2.661 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 14 LEU H 1 14 LEU MD1 5.000 . 9.500 3.541 1.907 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 14 LEU H 1 14 LEU MD2 5.000 . 9.500 3.439 1.915 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 14 LEU QB 1 15 SER H 5.000 . 5.000 2.501 1.887 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 14 LEU QB 1 18 MET H 5.000 . 6.000 5.045 4.181 5.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 15 SER H 1 15 SER HB2 2.700 . 3.700 2.745 2.213 3.702 0.002 30 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 15 SER H 1 15 SER HB3 2.700 . 3.700 3.271 2.257 3.704 0.004 38 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 15 SER HA 1 16 GLU H 3.300 . 3.300 2.502 2.278 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 15 SER HB2 1 17 GLU H 3.300 . 5.000 3.759 2.448 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 15 SER HB3 1 17 GLU H 3.300 . 4.300 3.174 2.455 4.779 0.479 34 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 16 GLU H 1 16 GLU HB2 3.300 . 4.300 2.525 2.221 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 16 GLU H 1 16 GLU HB3 3.300 . 4.300 3.176 2.550 3.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 16 GLU H 1 16 GLU HG2 5.000 . 5.000 4.117 2.376 4.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 16 GLU H 1 16 GLU HG3 5.000 . 5.000 4.003 2.705 4.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 16 GLU HA 1 17 GLU H 5.000 . 5.000 3.523 3.499 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 16 GLU HA 1 19 ILE H 5.000 . 5.000 3.832 3.438 4.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 16 GLU HA 1 19 ILE MG 5.000 . 6.500 4.573 3.887 5.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 16 GLU HB2 1 17 GLU H 2.700 . 3.700 3.367 2.741 3.707 0.007 33 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 16 GLU HB3 1 17 GLU H 2.700 . 3.700 3.218 2.598 3.706 0.006 33 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 17 GLU H 1 17 GLU HG2 5.000 . 6.000 3.880 2.167 4.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 17 GLU H 1 17 GLU HG3 5.000 . 6.000 3.853 2.201 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 17 GLU H 1 18 MET H 3.300 . 3.300 2.438 2.261 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 17 GLU HA 1 20 ALA H 3.300 . 3.700 3.460 3.176 3.708 0.008 35 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 18 MET H 1 19 ILE H 5.000 . 5.000 2.621 2.460 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 18 MET HA 1 21 GLU H 3.300 . 3.700 3.651 3.501 3.709 0.009 14 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 18 MET HG2 1 19 ILE H 3.300 . 5.000 4.073 2.320 4.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 18 MET HG2 1 22 PHE QD 3.300 . 6.300 4.323 2.710 5.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 18 MET HG3 1 19 ILE H 3.300 . 4.300 4.250 3.180 4.816 0.516 26 1 "[ . 1 . 2 .+ 3 . 4]" 1
98 1 18 MET HG3 1 22 PHE QD 3.300 . 6.300 3.996 2.625 5.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 19 ILE H 1 19 ILE MD 3.300 . 4.800 3.569 2.141 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 19 ILE HA 1 19 ILE MG 3.300 . 4.800 2.584 2.436 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 19 ILE HA 1 20 ALA H 5.000 . 5.000 3.562 3.552 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 19 ILE HA 1 22 PHE H 3.300 . 3.700 3.505 3.330 3.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 19 ILE HB 1 20 ALA H 2.700 . 2.700 2.694 2.611 2.708 0.008 14 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 19 ILE MD 1 75 PHE QD 5.000 . 8.500 5.545 4.707 6.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 19 ILE MG 1 20 ALA H 5.000 . 6.500 3.369 2.726 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 19 ILE MG 1 75 PHE QD 5.000 . 8.500 4.402 3.572 5.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 19 ILE MG 1 75 PHE QE 2.700 . 6.200 2.756 1.542 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 19 ILE MG 1 75 PHE HZ 5.000 . 6.500 2.946 2.248 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 20 ALA HA 1 23 LYS H 5.000 . 5.000 4.027 3.571 4.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 21 GLU H 1 21 GLU HB2 2.700 . 3.700 2.695 2.193 3.726 0.026 14 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 21 GLU H 1 21 GLU HB3 2.700 . 3.700 3.004 2.180 3.725 0.025 36 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 21 GLU H 1 21 GLU HG2 5.000 . 6.000 3.954 1.935 4.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 21 GLU H 1 21 GLU HG3 5.000 . 6.000 4.036 2.289 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 21 GLU H 1 22 PHE H 2.700 . 2.700 2.502 2.411 2.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 21 GLU HA 1 22 PHE H 5.000 . 5.000 3.532 3.426 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 21 GLU HA 1 24 ALA H 3.300 . 3.700 3.586 3.364 3.703 0.003 16 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 22 PHE H 1 22 PHE HB2 3.300 . 4.300 2.424 2.175 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 22 PHE H 1 22 PHE HB3 3.300 . 4.300 3.574 2.854 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 22 PHE H 1 22 PHE QD 3.300 . 5.300 3.097 1.816 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 22 PHE H 1 23 LYS H 3.300 . 3.300 2.736 2.484 3.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 22 PHE HA 1 22 PHE QD 2.700 . 4.700 2.233 1.698 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 22 PHE HA 1 23 LYS H 5.000 . 5.000 3.553 3.513 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 22 PHE HA 1 25 ALA H 3.300 . 4.300 3.896 3.681 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 22 PHE HB2 1 22 PHE QD 2.700 . 5.300 2.572 2.336 2.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 22 PHE HB2 1 23 LYS H 3.300 . 5.000 2.783 2.270 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 22 PHE HB2 1 75 PHE QE 3.300 . 7.000 3.433 2.719 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 22 PHE HB2 1 75 PHE HZ 3.300 . 4.300 2.548 2.016 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 22 PHE HB3 1 23 LYS H 3.300 . 3.300 3.227 1.922 3.811 0.511 11 1 "[ . 1+ . 2 . 3 . 4]" 1
129 1 22 PHE HB3 1 75 PHE QE 5.000 . 7.000 2.627 1.834 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 22 PHE HB3 1 75 PHE HZ 3.300 . 4.300 2.641 2.024 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 22 PHE QD 1 49 LEU MD1 3.300 . 9.800 4.058 2.700 7.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 22 PHE QD 1 49 LEU MD2 3.300 . 9.800 4.238 2.131 6.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 22 PHE QD 1 79 LEU QB 5.000 . 8.000 4.904 3.779 6.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 22 PHE QE 1 82 MET HG2 3.300 . 6.300 4.851 2.555 6.540 0.240 38 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 23 LYS H 1 23 LYS HB2 3.300 . 4.300 2.908 2.314 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 23 LYS H 1 23 LYS HB3 3.300 . 4.300 3.149 2.203 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 23 LYS H 1 23 LYS HD2 3.300 . 5.100 4.493 3.107 5.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 23 LYS H 1 23 LYS HD3 3.300 . 5.000 4.540 3.665 5.059 0.059 23 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 23 LYS H 1 24 ALA H 3.300 . 3.300 2.715 2.452 2.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 23 LYS H 1 75 PHE QE 5.000 . 7.000 3.474 2.699 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 23 LYS H 1 75 PHE HZ 3.300 . 3.300 2.865 2.453 3.300 0.000 5 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 23 LYS HA 1 24 ALA H 5.000 . 5.000 3.543 3.516 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 23 LYS HA 1 26 PHE H 3.300 . 4.300 3.552 3.234 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 23 LYS HA 1 26 PHE HB2 3.300 . 4.300 2.991 2.356 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 23 LYS HA 1 26 PHE HB3 3.300 . 4.300 2.785 2.346 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 23 LYS HA 1 27 ASP H 5.000 . 5.000 4.510 4.313 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 23 LYS HA 1 75 PHE QD 5.000 . 7.000 3.873 2.976 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 23 LYS HA 1 75 PHE QE 2.700 . 4.700 2.690 1.442 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 23 LYS HD2 1 24 ALA H 5.000 . 6.000 5.430 3.994 6.012 0.012 5 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 23 LYS HD2 1 75 PHE QE 3.300 . 6.300 3.997 1.546 5.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 23 LYS HD2 1 75 PHE HZ 5.000 . 6.000 4.882 3.609 5.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 23 LYS HD3 1 24 ALA H 5.000 . 6.000 5.228 2.926 6.002 0.002 32 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 23 LYS HD3 1 75 PHE QE 3.300 . 6.300 4.319 1.671 5.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 23 LYS HD3 1 75 PHE HZ 5.000 . 6.000 5.181 4.060 5.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 24 ALA H 1 24 ALA MB 3.300 . 4.800 2.323 2.317 2.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 24 ALA H 1 25 ALA H 3.300 . 3.300 2.934 2.611 3.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 24 ALA HA 1 25 ALA H 5.000 . 5.000 3.570 3.526 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 24 ALA HA 1 27 ASP H 3.300 . 4.300 4.035 3.813 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 24 ALA HA 1 27 ASP HB2 3.300 . 5.000 4.062 3.250 5.006 0.006 24 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 24 ALA HA 1 27 ASP HB3 3.300 . 4.300 4.058 3.188 5.001 0.701 6 6 "[ * *+ 1 . 2 * . - * . 4]" 1
161 1 24 ALA MB 1 25 ALA H 3.300 . 4.800 2.384 1.907 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 25 ALA H 1 26 PHE H 3.300 . 3.300 2.535 2.304 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 25 ALA HA 1 26 PHE H 5.000 . 5.000 3.524 3.511 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 25 ALA HA 1 28 MET H 3.300 . 3.700 3.455 3.197 3.704 0.004 24 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 25 ALA MB 1 26 PHE H 2.700 . 4.200 2.731 2.509 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 26 PHE H 1 26 PHE HB2 2.700 . 3.700 2.434 2.311 2.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 26 PHE H 1 26 PHE HB3 2.700 . 3.700 2.761 2.629 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 26 PHE H 1 27 ASP H 3.300 . 3.300 2.635 2.483 2.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 26 PHE H 1 45 VAL MG1 3.300 . 7.800 5.203 4.231 6.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 26 PHE H 1 45 VAL MG2 3.300 . 7.800 5.714 4.205 6.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 26 PHE H 1 49 LEU MD1 5.000 . 9.500 6.158 4.624 7.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 26 PHE H 1 49 LEU MD2 5.000 . 9.500 5.460 4.180 6.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 26 PHE HA 1 26 PHE HB2 2.700 . 3.300 2.585 2.517 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 26 PHE HA 1 26 PHE QD 3.300 . 5.300 2.658 1.798 3.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 26 PHE HA 1 27 ASP H 5.000 . 5.000 3.530 3.510 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 26 PHE HA 1 29 PHE QD 5.000 . 7.000 4.572 2.546 5.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 26 PHE HA 1 37 ILE MG 5.000 . 6.500 4.291 3.453 5.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 26 PHE HA 1 45 VAL MG1 3.300 . 6.500 3.771 2.917 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 26 PHE HA 1 45 VAL MG2 5.000 . 6.500 3.943 2.819 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 26 PHE HB2 1 26 PHE QD 2.700 . 5.300 2.529 2.335 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 26 PHE HB2 1 27 ASP H 3.300 . 4.300 3.838 3.572 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 26 PHE HB2 1 75 PHE QD 5.000 . 8.000 3.696 2.487 5.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 26 PHE HB2 1 75 PHE QE 5.000 . 7.000 3.612 2.080 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 26 PHE HB3 1 27 ASP H 3.300 . 4.300 2.800 2.468 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 26 PHE HB3 1 75 PHE QD 5.000 . 8.000 4.171 2.924 5.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 26 PHE HB3 1 75 PHE QE 5.000 . 7.000 4.291 2.477 5.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 26 PHE QD 1 27 ASP H 5.000 . 7.000 4.106 3.569 4.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 26 PHE QD 1 45 VAL MG1 5.000 . 8.500 4.331 3.172 5.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 26 PHE QD 1 45 VAL MG2 5.000 . 8.500 4.505 3.470 5.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 26 PHE QD 1 75 PHE QD 3.300 . 7.300 2.813 1.119 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 26 PHE QE 1 36 ASP HA 5.000 . 7.000 3.389 2.869 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 26 PHE QE 1 37 ILE H 5.000 . 7.000 3.970 3.081 4.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 26 PHE QE 1 37 ILE MD 5.000 . 8.500 3.282 1.314 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 26 PHE QE 1 37 ILE MG 5.000 . 8.500 2.590 1.203 4.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 26 PHE QE 1 75 PHE H 5.000 . 7.000 3.616 2.583 4.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 26 PHE QE 1 75 PHE HA 3.300 . 5.300 2.693 1.545 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 26 PHE QE 1 75 PHE QD 3.300 . 7.300 3.567 2.215 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 26 PHE QE 1 78 PHE H 5.000 . 7.000 5.188 4.284 6.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 26 PHE HZ 1 36 ASP HA 2.700 . 2.700 2.326 2.123 2.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 26 PHE HZ 1 36 ASP QB 5.000 . 6.000 4.186 3.970 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 26 PHE HZ 1 37 ILE H 5.000 . 5.000 3.426 2.995 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 26 PHE HZ 1 37 ILE HG12 3.300 . 5.000 3.318 2.395 4.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 26 PHE HZ 1 37 ILE HG13 3.300 . 4.300 3.527 2.387 4.674 0.374 13 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 26 PHE HZ 1 74 ASP HA 3.300 . 3.300 2.950 2.372 3.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 26 PHE HZ 1 75 PHE H 5.000 . 5.000 3.867 3.348 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 26 PHE HZ 1 78 PHE HB2 5.000 . 6.000 4.843 4.435 5.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 26 PHE HZ 1 78 PHE HB3 5.000 . 6.000 5.414 5.011 5.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 27 ASP H 1 27 ASP HB2 3.300 . 4.300 2.598 2.296 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 27 ASP H 1 27 ASP HB3 2.700 . 3.300 2.867 2.215 3.759 0.459 2 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 27 ASP H 1 28 MET H 3.300 . 3.300 2.492 2.364 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 27 ASP HA 1 28 MET H 5.000 . 5.000 3.499 3.416 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 27 ASP HA 1 30 ASP H 3.300 . 3.700 3.220 2.802 3.702 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 27 ASP HA 1 30 ASP HB2 5.000 . 6.000 3.563 2.002 5.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 27 ASP HA 1 30 ASP HB3 5.000 . 6.000 2.548 1.968 5.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 27 ASP HB2 1 30 ASP H 5.000 . 6.000 5.587 5.124 6.018 0.018 27 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 27 ASP HB3 1 30 ASP H 5.000 . 6.000 5.396 4.837 6.002 0.002 25 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 28 MET H 1 28 MET HB2 3.300 . 4.300 2.422 2.245 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 28 MET H 1 28 MET HB3 3.300 . 4.300 3.523 2.995 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 28 MET HA 1 29 PHE H 5.000 . 5.000 3.541 3.521 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 28 MET HB2 1 29 PHE H 2.700 . 3.700 3.108 2.616 3.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 28 MET HB2 1 29 PHE QD 2.700 . 5.700 3.566 2.064 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 28 MET HB3 1 29 PHE H 2.700 . 3.700 3.266 2.504 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 28 MET HB3 1 29 PHE QD 2.700 . 5.700 3.110 1.925 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 29 PHE H 1 29 PHE HB2 3.300 . 5.000 2.651 2.406 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 29 PHE H 1 29 PHE QD 2.700 . 4.700 2.756 1.966 3.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 29 PHE H 1 30 ASP H 2.700 . 2.700 2.338 2.024 2.709 0.009 16 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 29 PHE H 1 37 ILE MG 5.000 . 6.500 4.122 3.374 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 29 PHE HB2 1 37 ILE MD 5.000 . 6.500 3.580 2.553 4.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 29 PHE HB2 1 37 ILE MG 3.300 . 4.800 2.575 1.818 3.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 29 PHE HB3 1 37 ILE MD 3.300 . 6.500 4.091 2.633 5.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 29 PHE HB3 1 37 ILE MG 3.300 . 4.800 3.134 1.978 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 29 PHE QD 1 37 ILE MD 5.000 . 8.500 3.685 2.502 5.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 29 PHE QD 1 37 ILE MG 5.000 . 8.500 4.080 2.907 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 29 PHE QD 1 41 GLU HB2 3.300 . 6.300 3.962 2.274 5.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 29 PHE QD 1 41 GLU HB3 3.300 . 6.300 3.189 1.899 4.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 29 PHE QD 1 45 VAL MG1 3.300 . 6.800 3.742 2.108 5.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 29 PHE QD 1 45 VAL MG2 2.700 . 6.800 3.009 1.621 5.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 30 ASP H 1 30 ASP HB2 3.300 . 4.300 2.925 2.316 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 30 ASP H 1 30 ASP HB3 3.300 . 4.300 2.898 2.379 3.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 30 ASP H 1 37 ILE MG 5.000 . 6.500 3.344 2.568 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 30 ASP HA 1 31 ALA H 3.300 . 3.300 2.274 2.109 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 31 ALA HA 1 32 ASP H 5.000 . 5.000 3.401 2.315 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 31 ALA MB 1 32 ASP H 3.300 . 4.800 2.356 1.798 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 32 ASP HB2 1 33 GLY H 5.000 . 6.000 3.855 1.990 4.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 32 ASP HB3 1 33 GLY H 5.000 . 6.000 3.500 2.059 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 33 GLY H 1 33 GLY HA2 2.700 . 3.700 2.838 2.445 3.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 33 GLY H 1 33 GLY HA3 2.700 . 3.700 2.895 2.405 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 33 GLY H 1 34 GLY H 3.300 . 3.300 2.750 1.942 3.301 0.001 26 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 33 GLY HA2 1 34 GLY H 5.000 . 6.000 3.374 2.168 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 33 GLY HA3 1 34 GLY H 5.000 . 6.000 2.737 2.237 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 34 GLY H 1 34 GLY HA2 2.700 . 3.300 2.749 2.418 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 34 GLY H 1 35 GLY H 3.300 . 3.300 2.800 1.940 3.311 0.011 26 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 34 GLY HA2 1 36 ASP H 5.000 . 6.000 4.943 3.933 6.124 0.124 10 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 34 GLY HA3 1 36 ASP H 5.000 . 6.000 4.822 3.390 5.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 35 GLY H 1 36 ASP H 3.300 . 3.300 2.371 1.900 3.332 0.032 10 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 35 GLY HA2 1 36 ASP H 5.000 . 6.000 3.088 2.154 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 35 GLY HA2 1 36 ASP QB 3.300 . 5.300 4.923 4.519 5.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 35 GLY HA3 1 36 ASP H 5.000 . 6.000 3.187 2.452 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 35 GLY HA3 1 36 ASP QB 3.300 . 5.300 4.516 3.814 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 36 ASP HA 1 37 ILE H 2.700 . 2.700 2.321 2.194 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 36 ASP HA 1 74 ASP HA 2.700 . 2.700 2.541 2.284 2.702 0.002 17 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 36 ASP QB 1 72 THR HB 2.700 . 5.000 3.183 2.170 4.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 36 ASP QB 1 74 ASP HA 5.000 . 5.000 3.230 2.465 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 37 ILE H 1 37 ILE HG12 3.300 . 4.300 3.449 2.238 4.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 37 ILE H 1 37 ILE HG13 3.300 . 4.300 2.575 2.201 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 37 ILE H 1 73 ILE H 3.300 . 3.300 3.216 2.901 3.312 0.012 15 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 37 ILE HA 1 38 SER H 5.000 . 5.000 2.504 2.241 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 37 ILE HB 1 37 ILE MD 3.300 . 4.800 2.382 2.306 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 37 ILE HB 1 38 SER H 3.300 . 3.300 2.285 1.899 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 37 ILE MD 1 37 ILE MG 2.700 . 5.700 2.748 1.947 3.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 37 ILE MD 1 41 GLU HB2 5.000 . 7.500 3.663 2.156 5.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 37 ILE MD 1 41 GLU HB3 5.000 . 7.500 4.125 2.133 5.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 37 ILE MD 1 42 LEU HA 3.300 . 4.800 2.453 1.741 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 37 ILE MD 1 42 LEU MD1 3.300 . 9.300 3.362 1.791 5.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 37 ILE MD 1 42 LEU MD2 3.300 . 9.300 4.000 1.281 5.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 37 ILE MD 1 45 VAL MG1 5.000 . 8.000 3.436 2.218 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 37 ILE MD 1 45 VAL MG2 3.300 . 8.000 2.938 1.871 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 37 ILE MD 1 73 ILE MG 2.700 . 5.700 2.888 1.778 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 37 ILE HG12 1 37 ILE MG 3.300 . 5.800 2.336 2.238 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 37 ILE HG13 1 37 ILE MG 3.300 . 5.800 3.066 2.615 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 37 ILE MG 1 38 SER H 5.000 . 6.500 3.481 2.534 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 38 SER H 1 38 SER HA 2.700 . 3.300 2.959 2.844 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 38 SER H 1 38 SER HB2 2.700 . 3.300 2.428 2.169 3.374 0.074 30 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 38 SER H 1 38 SER HB3 3.300 . 3.300 3.025 2.355 3.387 0.087 21 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 38 SER HB2 1 41 GLU H 3.300 . 4.300 4.255 2.549 4.959 0.659 33 1 "[ . 1 . 2 . 3 + . 4]" 1
286 1 38 SER HB3 1 41 GLU H 3.300 . 5.000 2.850 2.301 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 39 THR H 1 39 THR HB 3.300 . 4.300 3.232 2.414 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 39 THR H 1 39 THR MG 3.300 . 4.800 2.428 1.840 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 39 THR H 1 40 LYS H 3.300 . 3.300 2.388 2.275 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 39 THR H 1 40 LYS QB 3.300 . 4.300 4.134 4.025 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 39 THR H 1 72 THR HA 5.000 . 5.000 4.443 3.537 5.002 0.002 21 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 39 THR HA 1 39 THR HB 2.700 . 2.700 2.481 2.256 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 39 THR HA 1 73 ILE MG 3.300 . 4.800 3.228 2.454 3.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 39 THR MG 1 66 ASP HB2 5.000 . 7.500 4.151 2.510 5.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 39 THR MG 1 66 ASP HB3 5.000 . 7.500 5.291 3.639 6.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 40 LYS H 1 41 GLU H 5.000 . 5.000 2.552 2.213 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 40 LYS HA 1 41 GLU H 5.000 . 5.000 3.520 3.465 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 40 LYS QB 1 40 LYS HE2 3.300 . 5.300 3.403 1.998 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 40 LYS QB 1 40 LYS HE3 3.300 . 5.300 3.522 1.899 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 41 GLU H 1 41 GLU HB2 3.300 . 4.300 2.613 2.220 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 41 GLU H 1 41 GLU HB3 3.300 . 4.300 3.633 3.023 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 41 GLU H 1 41 GLU HG2 5.000 . 6.000 3.512 2.057 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 41 GLU H 1 41 GLU HG3 5.000 . 6.000 3.414 2.010 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 41 GLU H 1 42 LEU H 2.700 . 2.700 2.292 2.094 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 41 GLU HA 1 44 THR H 3.300 . 3.700 3.480 3.152 3.740 0.040 33 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 42 LEU H 1 42 LEU HA 2.700 . 2.700 2.764 2.746 2.805 0.105 33 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 42 LEU H 1 42 LEU HB2 3.300 . 3.300 2.960 2.332 3.486 0.186 11 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 42 LEU H 1 42 LEU HB3 3.300 . 3.300 2.457 2.155 3.390 0.090 17 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 42 LEU H 1 42 LEU MD1 5.000 . 9.500 4.279 1.599 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 42 LEU H 1 42 LEU MD2 5.000 . 9.500 3.878 1.624 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 42 LEU H 1 42 LEU HG 5.000 . 5.000 4.284 1.896 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 42 LEU H 1 43 GLY H 5.000 . 5.000 3.111 2.924 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 42 LEU HA 1 42 LEU HB2 2.700 . 3.700 2.380 2.239 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 42 LEU HA 1 42 LEU HB3 2.700 . 3.700 2.913 2.235 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 42 LEU HA 1 45 VAL H 3.300 . 3.700 3.720 3.697 3.760 0.060 23 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 42 LEU HA 1 45 VAL MG1 5.000 . 9.500 3.505 1.864 4.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 42 LEU HA 1 45 VAL MG2 5.000 . 9.500 2.850 1.848 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 42 LEU HA 1 78 PHE QD 5.000 . 7.000 5.430 4.103 6.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 42 LEU HB2 1 42 LEU MD1 3.300 . 8.800 2.460 2.209 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 42 LEU HB2 1 42 LEU MD2 3.300 . 8.800 2.868 2.322 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 42 LEU HB2 1 43 GLY H 5.000 . 6.000 3.961 2.736 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 42 LEU HB3 1 42 LEU MD1 3.300 . 8.800 2.929 2.335 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 42 LEU HB3 1 42 LEU MD2 3.300 . 8.800 2.442 2.198 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 42 LEU HB3 1 43 GLY H 5.000 . 6.000 3.060 2.166 4.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 42 LEU MD1 1 78 PHE QD 3.300 . 9.800 3.475 1.889 6.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 42 LEU MD2 1 78 PHE QD 3.300 . 9.800 4.755 2.429 7.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 42 LEU HG 1 43 GLY H 3.300 . 4.000 3.403 2.462 4.047 0.047 23 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 43 GLY H 1 43 GLY HA2 2.700 . 3.300 2.886 2.682 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 43 GLY H 1 44 THR H 3.300 . 3.300 2.993 2.661 3.304 0.004 33 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 43 GLY H 1 58 LEU MD1 3.300 . 7.800 3.630 1.768 4.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 43 GLY H 1 58 LEU MD2 3.300 . 7.800 3.555 2.114 5.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 43 GLY H 1 58 LEU HG 3.300 . 4.300 4.094 3.690 4.318 0.018 20 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 43 GLY HA2 1 44 THR H 5.000 . 6.000 3.581 3.552 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 43 GLY HA2 1 46 MET H 3.300 . 4.300 3.586 3.012 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 43 GLY HA2 1 46 MET HB2 5.000 . 7.000 3.693 2.124 5.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 43 GLY HA2 1 46 MET HB3 5.000 . 7.000 4.418 2.328 5.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 43 GLY HA2 1 58 LEU MD1 3.300 . 8.800 3.993 1.990 6.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 43 GLY HA2 1 58 LEU MD2 3.300 . 8.800 3.900 1.625 6.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 43 GLY HA3 1 44 THR H 5.000 . 6.000 2.577 2.377 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 43 GLY HA3 1 46 MET H 3.300 . 5.000 4.727 4.330 5.021 0.021 5 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 43 GLY HA3 1 46 MET HB2 5.000 . 7.000 5.171 3.750 7.028 0.028 34 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 43 GLY HA3 1 46 MET HB3 5.000 . 7.000 5.922 3.922 6.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 43 GLY HA3 1 58 LEU MD1 3.300 . 8.800 2.799 1.643 5.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 43 GLY HA3 1 58 LEU MD2 3.300 . 8.800 2.916 1.735 4.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 44 THR H 1 44 THR HA 2.700 . 2.700 2.782 2.756 2.826 0.126 12 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 44 THR H 1 45 VAL H 2.700 . 3.300 2.898 2.718 3.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 44 THR H 1 45 VAL MG1 5.000 . 9.500 5.546 3.737 6.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 44 THR H 1 45 VAL MG2 5.000 . 9.500 4.752 3.818 6.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 44 THR HA 1 44 THR MG 2.700 . 4.200 2.703 2.362 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 44 THR HA 1 45 VAL H 5.000 . 5.000 3.523 3.489 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 44 THR HA 1 47 ARG H 3.300 . 3.700 3.671 3.522 3.724 0.024 12 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 44 THR MG 1 45 VAL H 5.000 . 6.500 3.375 2.997 4.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 44 THR MG 1 48 MET H 3.300 . 5.100 4.147 4.043 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 45 VAL H 1 45 VAL MG2 2.700 . 6.500 2.612 1.748 3.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 45 VAL H 1 46 MET H 5.000 . 5.000 2.654 2.257 3.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 45 VAL HA 1 45 VAL MG1 3.300 . 4.800 2.707 2.203 3.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 45 VAL HA 1 45 VAL MG2 2.700 . 4.800 2.619 2.178 3.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 45 VAL HA 1 48 MET H 5.000 . 5.000 3.612 2.978 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 45 VAL HA 1 49 LEU HG 5.000 . 5.000 4.587 3.850 5.043 0.043 20 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 45 VAL MG1 1 46 MET H 5.000 . 9.500 3.231 1.862 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 45 VAL MG2 1 46 MET H 5.000 . 9.500 3.553 2.031 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 46 MET H 1 46 MET HB2 3.300 . 4.300 2.814 2.181 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 46 MET H 1 46 MET HB3 3.300 . 4.300 3.316 2.203 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 46 MET H 1 46 MET HG2 3.300 . 4.300 3.441 1.962 4.308 0.008 18 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 46 MET H 1 46 MET HG3 3.300 . 4.300 3.151 1.908 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 46 MET H 1 78 PHE QE 5.000 . 7.000 4.781 3.805 5.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 46 MET HA 1 49 LEU H 5.000 . 5.000 4.195 3.734 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 46 MET HA 1 49 LEU MD1 3.300 . 7.800 2.694 1.429 4.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 46 MET HA 1 49 LEU MD2 3.300 . 7.800 4.321 1.451 6.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 46 MET HB2 1 48 MET H 5.000 . 6.000 5.473 4.821 6.060 0.060 4 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 46 MET HB3 1 48 MET H 5.000 . 6.000 5.702 5.097 6.045 0.045 20 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 47 ARG HA 1 50 GLY H 3.300 . 3.700 3.625 2.750 3.762 0.062 7 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 47 ARG HA 1 51 GLN H 5.000 . 5.000 2.820 2.056 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 47 ARG HD2 1 47 ARG HG2 2.700 . 3.700 2.874 2.367 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 47 ARG HD2 1 47 ARG HG3 2.700 . 3.700 2.575 2.287 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 47 ARG HD3 1 47 ARG HG2 2.700 . 3.700 2.697 2.301 3.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 47 ARG HD3 1 47 ARG HG3 2.700 . 3.700 2.875 2.357 3.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 47 ARG HG2 1 53 PRO HD2 3.300 . 4.300 3.274 1.900 4.302 0.002 35 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 47 ARG HG3 1 51 GLN H 3.300 . 5.000 4.556 3.177 5.589 0.589 11 3 "[ - . 1+ . 2 * 3 . 4]" 1
380 1 47 ARG HG3 1 53 PRO HD2 3.300 . 4.300 2.592 1.894 5.194 0.894 31 1 "[ . 1 . 2 . 3+ . 4]" 1
381 1 48 MET H 1 48 MET HB2 3.300 . 3.300 2.584 2.271 3.665 0.365 36 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 48 MET H 1 48 MET HB3 3.300 . 4.300 2.972 2.236 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 48 MET H 1 48 MET HG2 5.000 . 6.000 4.336 2.378 4.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 48 MET H 1 48 MET HG3 5.000 . 6.000 4.372 2.881 4.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 48 MET H 1 49 LEU H 2.700 . 2.700 2.622 2.254 2.708 0.008 26 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 48 MET HA 1 49 LEU H 3.300 . 3.300 3.295 3.144 3.504 0.204 18 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 48 MET HA 1 51 GLN H 3.300 . 5.000 4.987 4.726 5.106 0.106 25 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 48 MET HB2 1 49 LEU H 5.000 . 6.000 4.171 3.436 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 48 MET HB3 1 49 LEU H 5.000 . 6.000 3.795 2.735 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 49 LEU H 1 49 LEU HB2 2.700 . 3.700 2.835 2.306 3.807 0.107 29 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 49 LEU H 1 49 LEU HB3 2.700 . 3.700 3.643 3.012 3.757 0.057 12 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 49 LEU H 1 49 LEU HG 3.300 . 3.300 2.878 1.899 3.496 0.196 18 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 49 LEU H 1 50 GLY H 3.300 . 3.300 2.136 1.908 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 49 LEU HA 1 50 GLY H 5.000 . 5.000 3.447 2.887 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 50 GLY H 1 50 GLY HA2 2.700 . 3.700 2.823 2.634 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 50 GLY H 1 50 GLY HA3 2.700 . 3.700 2.956 2.429 3.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 50 GLY H 1 51 GLN H 3.300 . 3.300 2.347 1.897 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 50 GLY HA2 1 51 GLN H 5.000 . 6.000 2.861 2.161 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 50 GLY HA3 1 51 GLN H 5.000 . 6.000 3.298 2.352 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 51 GLN HA 1 52 ASN H 3.300 . 3.300 2.607 2.250 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 51 GLN HE22 1 86 MET QG 5.000 . 6.000 4.810 3.012 6.298 0.298 13 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 52 ASN H 1 53 PRO HB3 3.300 . 5.000 4.705 3.846 5.769 0.769 35 4 "[ . 1 * .* 2 . 3 - + 4]" 1
403 1 52 ASN H 1 53 PRO HD3 5.000 . 5.000 2.447 1.842 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 53 PRO HB2 1 53 PRO HD3 3.300 . 4.300 4.036 3.765 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 53 PRO HB2 1 54 THR H 5.000 . 6.000 2.310 1.898 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 53 PRO HB3 1 53 PRO HD3 3.300 . 4.300 3.271 3.013 4.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 53 PRO HB3 1 54 THR H 5.000 . 6.000 3.326 2.470 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 53 PRO HD2 1 53 PRO HG2 2.700 . 3.700 2.354 2.306 2.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 53 PRO HD2 1 53 PRO HG3 2.700 . 3.700 2.848 2.762 3.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 54 THR H 1 57 GLU H 5.000 . 5.000 4.188 3.704 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 54 THR H 1 57 GLU HB2 3.300 . 4.300 3.112 2.689 4.383 0.083 9 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 54 THR H 1 57 GLU HB3 3.300 . 4.300 4.234 3.651 4.361 0.061 28 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 54 THR HA 1 55 LYS H 3.300 . 3.300 2.428 2.229 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 54 THR MG 1 55 LYS H 3.300 . 4.800 2.698 1.648 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 55 LYS HA 1 55 LYS HG2 3.300 . 4.300 3.264 2.252 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 55 LYS HA 1 55 LYS HG3 3.300 . 4.300 3.242 2.254 3.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 55 LYS HA 1 58 LEU H 3.300 . 3.700 3.452 3.083 3.729 0.029 8 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 55 LYS HB2 1 56 GLU H 3.300 . 4.300 3.373 2.572 4.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 55 LYS HB3 1 56 GLU H 3.300 . 4.300 3.459 2.113 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 56 GLU H 1 56 GLU HB2 3.300 . 4.300 2.731 2.209 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 56 GLU H 1 56 GLU HB3 3.300 . 4.300 3.016 2.184 3.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 56 GLU H 1 56 GLU HG2 5.000 . 6.000 3.856 2.199 4.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 56 GLU H 1 56 GLU HG3 5.000 . 6.000 3.982 2.065 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 56 GLU H 1 57 GLU H 3.300 . 3.300 2.558 2.261 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 56 GLU H 1 57 GLU QG 3.300 . 4.300 4.048 3.662 4.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 56 GLU HA 1 59 ASP H 3.300 . 3.700 3.558 3.311 3.716 0.016 8 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 57 GLU HA 1 60 ALA H 3.300 . 3.300 3.302 3.267 3.315 0.015 13 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 57 GLU HA 1 60 ALA MB 3.300 . 4.800 2.780 2.498 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 58 LEU HA 1 58 LEU MD1 2.700 . 7.200 3.341 1.755 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 58 LEU HA 1 58 LEU MD2 2.700 . 7.200 2.828 1.956 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 58 LEU HA 1 59 ASP H 3.300 . 4.300 3.526 3.520 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 58 LEU HA 1 61 ILE H 3.300 . 4.300 3.708 3.271 4.306 0.006 20 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 58 LEU HA 1 61 ILE MD 3.300 . 4.800 3.004 1.728 4.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 59 ASP H 1 59 ASP HB2 3.300 . 3.300 2.722 2.289 3.743 0.443 13 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 59 ASP H 1 59 ASP HB3 3.300 . 4.300 3.352 2.209 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 59 ASP H 1 60 ALA H 3.300 . 3.300 2.597 2.396 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 59 ASP HA 1 59 ASP HB2 2.700 . 3.700 2.863 2.228 3.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 59 ASP HA 1 59 ASP HB3 2.700 . 3.700 2.669 2.320 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 59 ASP HB2 1 60 ALA H 5.000 . 6.000 3.211 2.405 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 59 ASP HB3 1 60 ALA H 5.000 . 6.000 3.558 2.918 4.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 59 ASP HB3 1 62 ILE HB 3.300 . 5.000 4.857 4.304 5.614 0.614 35 3 "[ * 1 . 2 -. 3 + 4]" 1
442 1 60 ALA H 1 60 ALA MB 2.700 . 4.200 2.321 2.317 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 60 ALA H 1 61 ILE H 3.300 . 3.300 2.764 2.561 3.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 60 ALA HA 1 61 ILE H 5.000 . 5.000 3.579 3.552 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 60 ALA HA 1 63 GLU H 3.300 . 3.700 3.381 3.150 3.701 0.001 20 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 60 ALA MB 1 61 ILE H 5.000 . 6.500 2.370 2.070 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 61 ILE H 1 61 ILE HA 2.700 . 2.700 2.821 2.813 2.839 0.139 6 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 61 ILE H 1 61 ILE HB 2.700 . 2.700 2.468 2.216 2.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 61 ILE H 1 61 ILE MD 5.000 . 6.500 3.246 2.079 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 61 ILE H 1 61 ILE HG12 5.000 . 6.000 3.916 2.517 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 61 ILE H 1 61 ILE HG13 5.000 . 6.000 3.100 2.260 4.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 61 ILE H 1 62 ILE H 2.700 . 2.700 2.734 2.719 2.741 0.041 5 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 61 ILE HA 1 61 ILE HG12 2.700 . 3.700 2.955 2.226 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 61 ILE HA 1 61 ILE HG13 2.700 . 3.700 2.672 2.103 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 61 ILE HA 1 61 ILE MG 2.700 . 4.200 2.731 2.521 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 61 ILE HA 1 62 ILE H 5.000 . 5.000 3.524 3.511 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 61 ILE HA 1 64 GLU H 3.300 . 3.700 3.648 3.371 3.721 0.021 37 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 61 ILE HA 1 64 GLU HB2 3.300 . 4.300 3.461 2.642 4.305 0.005 32 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 61 ILE HA 1 64 GLU HB3 3.300 . 4.300 3.572 2.511 4.306 0.006 33 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 61 ILE HB 1 61 ILE MD 3.300 . 4.800 2.509 2.316 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 61 ILE MD 1 61 ILE MG 2.700 . 5.700 2.544 1.896 3.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 62 ILE H 1 63 GLU H 3.300 . 3.300 2.594 2.414 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 62 ILE H 1 63 GLU HB2 5.000 . 6.000 4.984 4.401 5.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 62 ILE H 1 63 GLU HB3 5.000 . 6.000 4.981 4.434 6.042 0.042 8 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 62 ILE HA 1 63 GLU H 5.000 . 5.000 3.558 3.522 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 62 ILE HA 1 65 VAL H 3.300 . 3.700 3.593 3.210 3.719 0.019 21 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 62 ILE MG 1 63 GLU H 5.000 . 6.500 2.819 1.902 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 63 GLU H 1 63 GLU HG2 5.000 . 6.000 4.478 2.043 4.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 63 GLU H 1 63 GLU HG3 5.000 . 6.000 4.442 3.273 4.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 63 GLU H 1 64 GLU H 5.000 . 5.000 2.725 2.553 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 63 GLU HA 1 66 ASP H 5.000 . 5.000 4.355 3.577 5.031 0.031 40 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 64 GLU H 1 64 GLU HB2 2.700 . 3.700 2.474 2.184 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 64 GLU H 1 64 GLU HB3 2.700 . 3.700 2.941 2.316 3.701 0.001 26 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 64 GLU H 1 64 GLU HG2 5.000 . 6.000 4.495 2.631 4.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 64 GLU H 1 64 GLU HG3 5.000 . 6.000 4.546 3.709 4.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 64 GLU H 1 65 VAL H 3.300 . 3.300 2.583 2.278 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 64 GLU H 1 65 VAL MG1 5.000 . 9.500 5.107 3.462 6.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 64 GLU H 1 65 VAL MG2 5.000 . 9.500 4.700 3.473 6.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 64 GLU HA 1 67 GLU H 3.300 . 5.000 4.903 4.237 5.006 0.006 36 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 65 VAL H 1 65 VAL MG1 2.700 . 7.200 3.288 1.709 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 65 VAL H 1 65 VAL MG2 2.700 . 7.200 2.967 1.862 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 65 VAL HB 1 66 ASP H 3.300 . 4.300 3.523 2.114 4.366 0.066 10 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 65 VAL MG1 1 66 ASP H 2.700 . 7.200 3.232 1.503 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 65 VAL MG1 1 77 GLU HB2 3.300 . 8.800 6.069 4.383 7.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 65 VAL MG1 1 77 GLU HB3 3.300 . 8.800 5.375 3.364 6.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 65 VAL MG2 1 66 ASP H 2.700 . 7.200 3.758 1.701 4.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 65 VAL MG2 1 77 GLU HB2 3.300 . 8.800 5.878 4.362 7.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 65 VAL MG2 1 77 GLU HB3 3.300 . 8.800 5.095 3.867 6.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 66 ASP H 1 66 ASP HB2 3.300 . 3.300 2.891 2.474 3.309 0.009 19 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 66 ASP H 1 66 ASP HB3 2.700 . 3.300 2.947 2.533 3.310 0.010 19 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 66 ASP HA 1 67 GLU H 3.300 . 3.300 2.686 2.306 3.326 0.026 8 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 66 ASP HA 1 68 ASP H 5.000 . 5.000 3.678 3.183 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 67 GLU H 1 68 ASP H 3.300 . 3.300 2.510 2.252 3.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 67 GLU HA 1 68 ASP H 5.000 . 5.000 3.549 3.521 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 69 GLY H 1 69 GLY HA2 2.700 . 3.300 2.835 2.404 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 69 GLY H 1 70 SER H 5.000 . 5.000 4.111 2.376 4.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 70 SER H 1 71 GLY H 5.000 . 5.000 3.696 1.966 4.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 71 GLY H 1 72 THR H 5.000 . 5.000 3.206 1.962 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 71 GLY HA2 1 72 THR H 5.000 . 6.000 3.025 2.161 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 71 GLY HA3 1 72 THR H 5.000 . 6.000 2.972 2.165 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 72 THR HA 1 73 ILE H 3.300 . 3.300 2.446 2.121 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 73 ILE H 1 73 ILE HB 3.300 . 3.300 3.061 2.441 3.304 0.004 6 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 73 ILE H 1 73 ILE HG12 5.000 . 6.000 4.752 3.184 5.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 73 ILE H 1 73 ILE HG13 5.000 . 6.000 4.835 4.253 5.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 73 ILE HA 1 74 ASP H 3.300 . 3.300 2.227 2.116 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 74 ASP H 1 74 ASP HB3 3.300 . 5.000 3.568 3.087 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 74 ASP H 1 77 GLU HB2 3.300 . 5.000 3.158 2.285 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 74 ASP H 1 77 GLU HB3 3.300 . 4.300 3.741 2.730 5.001 0.701 35 2 "[ . 1 . 2 . - 3 + 4]" 1
509 1 74 ASP HA 1 74 ASP HB2 2.700 . 2.700 2.741 2.436 2.917 0.217 21 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 74 ASP HA 1 74 ASP HB3 2.700 . 2.700 2.390 2.223 2.839 0.139 13 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 74 ASP HA 1 75 PHE H 2.700 . 2.700 2.599 2.469 2.721 0.021 5 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 74 ASP HB2 1 75 PHE HA 2.700 . 5.000 4.910 4.528 5.944 0.944 7 8 "[ * . + 1 **. - 2 . * . * *4]" 1
513 1 75 PHE H 1 75 PHE HB2 2.700 . 3.700 2.600 2.326 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 75 PHE H 1 75 PHE HB3 2.700 . 3.700 2.627 2.420 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 75 PHE H 1 75 PHE QD 5.000 . 7.000 4.308 4.235 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 75 PHE H 1 76 GLU H 5.000 . 5.000 2.414 2.293 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 75 PHE HA 1 75 PHE HB2 2.700 . 3.300 2.545 2.431 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 75 PHE HA 1 75 PHE QD 2.700 . 4.700 2.451 1.818 3.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 75 PHE HA 1 75 PHE QE 5.000 . 7.000 4.543 4.193 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 75 PHE HA 1 76 GLU H 2.700 . 4.300 3.512 3.481 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 75 PHE HA 1 78 PHE H 5.000 . 5.000 3.539 3.212 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 75 PHE HA 1 78 PHE HB2 5.000 . 6.000 2.914 1.935 3.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 75 PHE HA 1 78 PHE HB3 5.000 . 6.000 2.127 1.898 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 75 PHE HB2 1 75 PHE QD 2.700 . 4.700 2.628 2.355 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 75 PHE HB2 1 76 GLU H 3.300 . 5.000 3.968 3.693 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 75 PHE HB3 1 75 PHE QD 2.700 . 4.700 2.516 2.334 2.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 75 PHE HB3 1 76 GLU H 5.000 . 5.000 2.942 2.813 3.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 75 PHE HB3 1 78 PHE QD 3.300 . 6.300 5.245 4.499 6.512 0.212 6 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 75 PHE QD 1 76 GLU H 5.000 . 7.000 4.230 3.602 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 75 PHE QD 1 78 PHE HB2 3.300 . 6.300 4.281 2.671 5.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 75 PHE QD 1 78 PHE HB3 3.300 . 6.300 3.193 2.182 4.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 75 PHE HZ 1 79 LEU MD1 3.300 . 7.800 4.196 3.121 6.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 75 PHE HZ 1 79 LEU MD2 3.300 . 7.800 3.408 2.625 4.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 76 GLU H 1 76 GLU HG2 3.300 . 4.300 3.178 1.900 4.308 0.008 38 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 76 GLU H 1 76 GLU HG3 3.300 . 4.300 3.287 1.900 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 76 GLU H 1 77 GLU H 3.300 . 3.300 2.849 2.610 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 76 GLU HA 1 76 GLU HG2 3.300 . 4.300 3.221 2.284 4.313 0.013 19 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 76 GLU HA 1 76 GLU HG3 3.300 . 4.300 3.429 2.379 4.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 76 GLU HA 1 77 GLU H 5.000 . 5.000 3.571 3.560 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 76 GLU HA 1 79 LEU H 3.300 . 3.700 3.699 3.618 3.717 0.017 35 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 76 GLU HB2 1 77 GLU H 3.300 . 4.300 2.645 2.006 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 76 GLU HB3 1 77 GLU H 3.300 . 4.300 3.239 2.558 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 77 GLU H 1 77 GLU HB2 2.700 . 3.700 2.475 2.254 3.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 77 GLU H 1 77 GLU HB3 2.700 . 3.700 3.366 2.541 3.739 0.039 27 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 77 GLU H 1 78 PHE H 3.300 . 3.300 2.628 2.470 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 77 GLU H 1 80 VAL H 5.000 . 5.000 4.927 4.834 5.010 0.010 9 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 77 GLU HA 1 80 VAL H 5.000 . 5.000 3.318 3.180 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 77 GLU HB2 1 78 PHE H 3.300 . 4.300 3.329 2.882 4.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 77 GLU HB3 1 78 PHE H 3.300 . 4.300 3.428 2.852 4.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 78 PHE H 1 78 PHE HB2 3.300 . 3.300 2.802 2.158 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 78 PHE H 1 78 PHE HB3 3.300 . 3.300 2.421 2.212 3.329 0.029 26 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 78 PHE H 1 79 LEU H 3.300 . 3.300 2.706 2.604 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 78 PHE H 1 80 VAL HB 3.300 . 5.000 4.867 4.576 5.008 0.008 18 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 78 PHE HA 1 78 PHE QD 3.300 . 5.300 2.717 1.867 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 78 PHE HA 1 81 MET H 3.300 . 3.700 3.692 3.485 3.723 0.023 26 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 78 PHE HB2 1 78 PHE QD 2.700 . 4.700 2.642 2.329 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 78 PHE HB2 1 79 LEU H 5.000 . 5.000 4.012 3.023 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 78 PHE HB3 1 78 PHE QD 2.700 . 4.700 2.476 2.331 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 78 PHE HB3 1 79 LEU H 5.000 . 5.000 2.788 2.571 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 78 PHE QD 1 79 LEU H 5.000 . 7.000 3.588 2.455 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 78 PHE QD 1 79 LEU HA 5.000 . 7.000 3.884 2.581 5.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 78 PHE QD 1 79 LEU HG 5.000 . 7.000 3.713 1.809 5.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 78 PHE QD 1 81 MET HB2 5.000 . 8.000 4.938 3.068 6.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 78 PHE QD 1 81 MET HB3 5.000 . 8.000 5.325 3.387 6.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 79 LEU H 1 79 LEU MD1 3.300 . 7.800 3.623 2.813 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 79 LEU H 1 79 LEU MD2 3.300 . 7.800 3.439 1.976 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 79 LEU H 1 79 LEU HG 2.700 . 2.700 2.477 1.899 2.701 0.001 1 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 79 LEU H 1 80 VAL H 3.300 . 3.300 2.454 2.262 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 79 LEU HA 1 80 VAL H 5.000 . 5.000 3.519 3.499 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 79 LEU HA 1 82 MET H 3.300 . 3.700 3.487 3.238 3.710 0.010 18 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 79 LEU HA 1 83 VAL H 3.300 . 4.300 4.271 3.994 4.318 0.018 14 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 80 VAL H 1 81 MET H 3.300 . 3.300 2.591 2.530 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 80 VAL HA 1 80 VAL MG1 2.700 . 4.800 2.735 2.507 3.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 80 VAL HA 1 80 VAL MG2 3.300 . 4.800 2.369 2.170 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 80 VAL HA 1 81 MET H 5.000 . 5.000 3.527 3.506 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 80 VAL HA 1 83 VAL H 5.000 . 5.000 4.070 3.772 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 80 VAL HA 1 83 VAL MG1 5.000 . 9.500 4.430 2.043 5.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 80 VAL HA 1 83 VAL MG2 5.000 . 9.500 3.790 2.236 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 80 VAL MG1 1 81 MET H 5.000 . 6.500 3.345 2.307 3.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 80 VAL MG1 1 81 MET HG2 3.300 . 8.800 4.594 2.101 6.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 80 VAL MG1 1 81 MET HG3 3.300 . 8.800 5.273 3.288 6.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 80 VAL MG1 1 84 ARG HE 2.700 . 7.200 2.783 2.007 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 80 VAL MG2 1 81 MET H 3.300 . 6.500 4.170 3.891 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 80 VAL MG2 1 81 MET HG2 3.300 . 8.800 5.919 4.792 7.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 80 VAL MG2 1 81 MET HG3 3.300 . 8.800 6.532 4.851 7.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 80 VAL MG2 1 84 ARG HE 2.700 . 7.200 5.126 3.695 5.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 81 MET H 1 81 MET HG2 3.300 . 4.300 2.882 1.915 4.332 0.032 10 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 81 MET H 1 81 MET HG3 3.300 . 4.300 3.360 2.352 4.373 0.073 10 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 81 MET HA 1 82 MET H 5.000 . 5.000 3.540 3.500 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 81 MET HA 1 84 ARG H 3.300 . 3.700 3.667 3.535 3.764 0.064 27 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 81 MET HB2 1 82 MET H 3.300 . 4.300 3.306 2.120 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 81 MET HG3 1 82 MET H 3.300 . 4.300 3.611 2.150 4.867 0.567 4 5 "[ +.* 1 . 2 -* 3 * . 4]" 1
593 1 82 MET HA 1 85 GLN H 3.300 . 3.700 3.674 3.365 3.751 0.051 27 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 82 MET HB2 1 83 VAL HA 3.300 . 4.300 4.643 4.074 5.044 0.744 36 19 "[* **. * ** -* .* * * * * 3* ***+ *4]" 1
595 1 82 MET HB3 1 83 VAL HA 3.300 . 5.000 4.337 3.895 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 83 VAL H 1 83 VAL MG1 2.700 . 4.800 3.757 1.695 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 83 VAL H 1 83 VAL MG2 3.300 . 4.800 2.481 1.730 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 83 VAL H 1 86 MET HB2 5.000 . 6.000 5.138 4.582 6.139 0.139 27 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 83 VAL HA 1 83 VAL MG1 3.300 . 4.800 2.642 2.227 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 83 VAL HA 1 83 VAL MG2 3.300 . 4.800 2.487 2.255 3.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 83 VAL HA 1 84 ARG H 5.000 . 5.000 3.542 3.500 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 83 VAL HA 1 86 MET H 5.000 . 5.000 3.743 3.331 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 83 VAL HA 1 86 MET HB2 3.300 . 4.300 2.904 2.198 4.305 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 83 VAL HA 1 86 MET HB3 3.300 . 4.300 3.760 3.023 4.305 0.005 18 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 83 VAL HB 1 84 ARG H 3.300 . 3.300 2.925 2.441 3.535 0.235 27 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 83 VAL MG1 1 83 VAL MG2 2.700 . 11.700 2.128 2.128 2.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 83 VAL MG1 1 84 ARG H 5.000 . 6.500 3.445 2.032 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 83 VAL MG2 1 84 ARG H 5.000 . 6.500 3.873 1.672 4.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 84 ARG H 1 84 ARG HB2 2.700 . 3.700 2.339 2.151 3.721 0.021 20 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 84 ARG H 1 84 ARG HB3 2.700 . 3.700 3.230 2.392 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 84 ARG HA 1 87 LYS H 5.000 . 5.000 4.169 3.931 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 84 ARG HB2 1 85 GLN H 3.300 . 4.300 3.223 2.617 4.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 84 ARG HB3 1 85 GLN H 3.300 . 4.300 2.776 1.961 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 85 GLN H 1 85 GLN HB2 2.700 . 3.700 2.265 2.155 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 85 GLN H 1 85 GLN HB3 2.700 . 3.700 3.218 2.608 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 85 GLN H 1 85 GLN HG2 3.300 . 5.000 4.255 2.733 4.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 85 GLN H 1 85 GLN HG3 3.300 . 5.000 4.454 3.828 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 85 GLN HA 1 88 GLU H 3.300 . 3.600 3.563 3.403 3.616 0.016 3 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 85 GLN HB2 1 86 MET H 2.700 . 3.700 3.224 2.433 3.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 85 GLN HB3 1 86 MET H 2.700 . 3.700 2.784 1.975 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 85 GLN HE22 1 85 GLN HG2 3.300 . 4.300 3.871 3.566 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 85 GLN HE22 1 85 GLN HG3 3.300 . 4.300 3.777 3.562 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 86 MET H 1 87 LYS H 5.000 . 5.000 2.773 2.526 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 87 LYS H 1 87 LYS HG2 5.000 . 5.000 4.316 2.715 4.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 87 LYS H 1 87 LYS HG3 5.000 . 5.000 4.394 2.697 4.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 88 GLU HA 1 89 ASP H 5.000 . 5.000 2.714 2.103 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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