NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384922 |
1kqv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kqv
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 20
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 10.383
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 GLY 0.060 0.021 23 0 "[ . 1 . 2 . 3]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 63 GLY 0.060 0.021 23 0 "[ . 1 . 2 . 3]"
1 64 GLU 0.006 0.006 5 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 SER 0.280 0.028 8 0 "[ . 1 . 2 . 3]"
1 69 GLU 0.280 0.028 8 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 58 ASP HA 1 59 LYS H . . 3.500 2.400 2.262 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 58 ASP HA 1 65 VAL MG2 . . 6.000 3.115 2.495 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 62 ASP H 1 63 GLY H . . 3.200 2.087 1.931 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 61 GLY H 1 62 ASP H . . 4.000 2.949 2.324 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 62 ASP H 1 62 ASP HB2 . . 4.000 3.275 2.656 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 63 GLY H 1 63 GLY HA3 . . 3.100 2.954 2.875 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 61 GLY H 1 63 GLY H . . 5.100 4.668 3.856 5.121 0.021 23 0 "[ . 1 . 2 . 3]" 1
8 1 63 GLY H 1 64 GLU H . . 4.000 1.916 1.873 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 63 GLY HA2 1 64 GLU H . . 6.000 3.268 2.847 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 63 GLY HA3 1 64 GLU H . . 4.000 3.402 3.267 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 64 GLU H 1 64 GLU HB2 . . 4.000 3.279 2.538 4.006 0.006 5 0 "[ . 1 . 2 . 3]" 1
12 1 64 GLU H 1 64 GLU HB3 . . 4.000 3.450 2.953 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 64 GLU H 1 65 VAL H . . 6.000 4.338 3.960 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 65 VAL H 1 65 VAL HA . . 3.000 2.918 2.856 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 65 VAL HA 1 65 VAL MG1 . . 3.700 2.459 2.413 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 65 VAL HA 1 66 SER H . . 4.900 2.648 2.512 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 65 VAL HA 1 69 GLU HB2 . . 5.000 2.712 2.457 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 65 VAL HA 1 69 GLU HB3 . . 5.000 3.822 3.450 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 66 SER HG 1 69 GLU HG2 . . 5.000 4.820 3.501 5.028 0.028 8 0 "[ . 1 . 2 . 3]" 1
20 1 66 SER HG 1 69 GLU HG3 . . 5.000 3.564 3.209 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1617
_Distance_constraint_stats_list.Viol_count 2246
_Distance_constraint_stats_list.Viol_total 5666.337
_Distance_constraint_stats_list.Viol_max 0.830
_Distance_constraint_stats_list.Viol_rms 0.0306
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0841
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 SER 1.127 0.571 14 2 "[ . 1 +. 2 .- 3]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 GLU 8.642 0.796 13 12 "[ * . ** 1* + . * ** -** *]"
1 9 GLU 3.692 0.571 14 2 "[ . 1 +. 2 .* 3]"
1 10 LEU 1.019 0.507 14 1 "[ . 1 +. 2 . 3]"
1 11 LYS 10.673 0.796 13 12 "[ * . ** 1* + . * ** -** *]"
1 12 GLY 12.912 0.432 22 0 "[ . 1 . 2 . 3]"
1 13 ILE 0.016 0.008 29 0 "[ . 1 . 2 . 3]"
1 14 PHE 1.586 0.079 22 0 "[ . 1 . 2 . 3]"
1 15 GLU 12.270 0.432 22 0 "[ . 1 . 2 . 3]"
1 16 LYS 2.400 0.528 4 1 "[ +. 1 . 2 . 3]"
1 17 TYR 0.011 0.010 29 0 "[ . 1 . 2 . 3]"
1 18 ALA 1.818 0.138 18 0 "[ . 1 . 2 . 3]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 LYS 17.654 0.430 20 0 "[ . 1 . 2 . 3]"
1 21 GLU 5.402 0.131 19 0 "[ . 1 . 2 . 3]"
1 22 GLY 0.819 0.072 30 0 "[ . 1 . 2 . 3]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 PRO 1.686 0.057 7 0 "[ . 1 . 2 . 3]"
1 25 ASN 1.015 0.225 28 0 "[ . 1 . 2 . 3]"
1 26 GLN 1.279 0.085 15 0 "[ . 1 . 2 . 3]"
1 27 LEU 2.062 0.085 15 0 "[ . 1 . 2 . 3]"
1 28 SER 1.709 0.138 18 0 "[ . 1 . 2 . 3]"
1 29 LYS 3.364 0.088 7 0 "[ . 1 . 2 . 3]"
1 30 GLU 4.389 0.193 1 0 "[ . 1 . 2 . 3]"
1 31 GLU 9.837 0.222 20 0 "[ . 1 . 2 . 3]"
1 32 LEU 0.342 0.040 28 0 "[ . 1 . 2 . 3]"
1 33 LYS 6.603 0.160 30 0 "[ . 1 . 2 . 3]"
1 34 LEU 8.469 0.160 30 0 "[ . 1 . 2 . 3]"
1 35 LEU 14.783 0.316 24 0 "[ . 1 . 2 . 3]"
1 36 LEU 4.241 0.113 19 0 "[ . 1 . 2 . 3]"
1 37 GLN 3.705 0.095 28 0 "[ . 1 . 2 . 3]"
1 38 THR 0.919 0.075 29 0 "[ . 1 . 2 . 3]"
1 39 GLU 22.919 0.508 29 1 "[ . 1 . 2 . +3]"
1 40 PHE 10.545 0.235 8 0 "[ . 1 . 2 . 3]"
1 41 PRO 10.051 0.235 8 0 "[ . 1 . 2 . 3]"
1 42 SER 0.028 0.014 26 0 "[ . 1 . 2 . 3]"
1 43 LEU 1.651 0.069 25 0 "[ . 1 . 2 . 3]"
1 44 LEU 8.679 0.569 25 3 "[ . 1* . 2 + - 3]"
1 45 LYS 22.890 0.830 13 10 "[ . -* + * ** **** 3]"
1 46 GLY 6.631 0.830 13 3 "[ . 1 + . * .- 3]"
1 47 MET 3.042 0.124 24 0 "[ . 1 . 2 . 3]"
1 48 SER 9.208 0.221 30 0 "[ . 1 . 2 . 3]"
1 49 THR 7.085 0.221 30 0 "[ . 1 . 2 . 3]"
1 50 LEU 2.106 0.073 13 0 "[ . 1 . 2 . 3]"
1 51 ASP 1.378 0.073 13 0 "[ . 1 . 2 . 3]"
1 52 GLU 4.743 0.118 22 0 "[ . 1 . 2 . 3]"
1 53 LEU 4.762 0.117 10 0 "[ . 1 . 2 . 3]"
1 54 PHE 4.347 0.117 10 0 "[ . 1 . 2 . 3]"
1 55 GLU 1.909 0.100 23 0 "[ . 1 . 2 . 3]"
1 56 GLU 0.022 0.012 27 0 "[ . 1 . 2 . 3]"
1 57 LEU 1.356 0.036 25 0 "[ . 1 . 2 . 3]"
1 58 ASP 0.074 0.015 4 0 "[ . 1 . 2 . 3]"
1 60 ASN 3.626 0.425 25 0 "[ . 1 . 2 . 3]"
1 61 GLY 0.191 0.082 30 0 "[ . 1 . 2 . 3]"
1 62 ASP 0.917 0.425 25 0 "[ . 1 . 2 . 3]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.412 0.081 11 0 "[ . 1 . 2 . 3]"
1 66 SER 0.487 0.162 18 0 "[ . 1 . 2 . 3]"
1 67 PHE 0.553 0.188 26 0 "[ . 1 . 2 . 3]"
1 68 GLU 0.503 0.042 30 0 "[ . 1 . 2 . 3]"
1 69 GLU 4.294 0.162 18 0 "[ . 1 . 2 . 3]"
1 70 PHE 2.249 0.140 18 0 "[ . 1 . 2 . 3]"
1 71 GLN 0.543 0.034 6 0 "[ . 1 . 2 . 3]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 LEU 10.143 0.445 16 0 "[ . 1 . 2 . 3]"
1 74 VAL 10.414 0.445 16 0 "[ . 1 . 2 . 3]"
1 75 LYS 0.091 0.051 1 0 "[ . 1 . 2 . 3]"
1 76 LYS 1.107 0.196 23 0 "[ . 1 . 2 . 3]"
1 77 ILE 0.055 0.007 13 0 "[ . 1 . 2 . 3]"
1 78 SER 0.063 0.040 29 0 "[ . 1 . 2 . 3]"
1 79 GLN 0.192 0.040 29 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 5 LYS H 1 6 SER H . . 7.000 3.134 1.902 4.662 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 5 LYS QD 1 6 SER H . . 8.000 4.754 3.793 5.974 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 6 SER H 1 6 SER HB2 . . 3.200 2.163 2.017 2.903 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 6 SER H 1 6 SER HB3 . . 3.700 3.290 3.000 3.554 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 6 SER H 1 7 PRO QD . . 8.000 4.302 4.228 4.334 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 6 SER H 1 8 GLU H . . 7.000 5.622 5.257 6.393 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 6 SER H 1 9 GLU H . . 5.200 4.381 4.123 4.833 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 6 SER H 1 9 GLU HA . . 7.000 6.066 5.486 6.428 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 6 SER H 1 9 GLU HB3 . . 4.800 4.303 3.549 4.804 0.004 3 0 "[ . 1 . 2 . 3]" 2
10 1 6 SER H 1 9 GLU HB2 . . 4.200 3.283 2.686 4.771 0.571 14 2 "[ . 1 +. 2 .- 3]" 2
11 1 6 SER H 1 9 GLU HG2 . . 7.000 5.418 2.481 6.049 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 6 SER H 1 9 GLU HG3 . . 4.600 4.169 3.425 4.601 0.001 7 0 "[ . 1 . 2 . 3]" 2
13 1 6 SER H 1 10 LEU H . . 7.000 5.304 4.350 5.926 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 6 SER HA 1 7 PRO QD . . 5.000 2.075 1.885 2.257 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 6 SER HA 1 8 GLU H . . 5.300 4.491 4.166 5.013 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 6 SER HB2 1 8 GLU H . . 6.600 4.322 3.019 5.329 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 6 SER HB2 1 9 GLU H . . 6.800 3.474 2.270 4.006 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 6 SER HB3 1 7 PRO QD . . 5.400 2.272 1.968 2.939 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 6 SER HB3 1 8 GLU H . . 5.100 2.834 2.389 3.583 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 6 SER HB3 1 9 GLU H . . 6.800 2.777 2.269 4.000 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 7 PRO HA 1 7 PRO HB3 . . 2.800 2.303 2.302 2.303 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 7 PRO HA 1 7 PRO HG2 . . 4.200 3.972 3.971 3.973 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 7 PRO HA 1 7 PRO HG3 . . 4.400 3.880 3.879 3.881 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 7 PRO HA 1 8 GLU H . . 4.000 3.507 3.487 3.540 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 7 PRO HA 1 9 GLU H . . 6.100 4.086 3.753 4.368 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 7 PRO HA 1 10 LEU H . . 4.900 3.165 3.000 3.374 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 7 PRO HA 1 10 LEU HB2 . . 4.300 2.637 2.073 3.395 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 7 PRO HA 1 10 LEU MD1 . . 7.000 2.408 1.966 3.031 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 7 PRO HA 1 10 LEU MD2 . . 8.000 4.649 3.964 5.160 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 7 PRO HA 1 11 LYS H . . 5.100 4.599 4.160 5.100 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 7 PRO HB2 1 7 PRO HG3 . . 3.100 2.803 2.802 2.803 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 7 PRO HB2 1 8 GLU H . . 3.500 3.169 2.568 3.330 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 7 PRO HB2 1 10 LEU HB2 . . 7.000 4.505 4.133 4.845 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 7 PRO HB2 1 10 LEU HB3 . . 6.800 5.944 5.379 6.478 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 7 PRO HB2 1 10 LEU MD1 . . 7.700 4.381 3.565 4.955 . 0 0 "[ . 1 . 2 . 3]" 2
36 1 7 PRO HB2 1 10 LEU MD2 . . 8.000 6.635 6.053 7.021 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 7 PRO HB3 1 8 GLU H . . 4.400 4.146 3.804 4.236 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 7 PRO HB3 1 10 LEU HB3 . . 7.000 5.875 5.173 6.528 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 7 PRO HB3 1 10 LEU HG . . 7.000 5.618 4.672 6.167 . 0 0 "[ . 1 . 2 . 3]" 2
40 1 7 PRO HG2 1 8 GLU H . . 5.400 2.713 2.264 2.868 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 7 PRO HG3 1 8 GLU H . . 6.000 4.003 3.719 4.099 . 0 0 "[ . 1 . 2 . 3]" 2
42 1 7 PRO QD 1 8 GLU H . . 6.400 2.275 2.233 2.583 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 8 GLU H 1 8 GLU HA . . 3.100 2.741 2.695 2.775 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 8 GLU H 1 8 GLU HB2 . . 3.000 2.027 2.018 2.047 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 8 GLU H 1 8 GLU HB3 . . 3.300 3.150 3.072 3.241 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 8 GLU H 1 8 GLU HG2 . . 3.900 3.763 3.538 3.913 0.013 19 0 "[ . 1 . 2 . 3]" 2
47 1 8 GLU H 1 8 GLU HG3 . . 4.200 4.024 3.741 4.180 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 8 GLU H 1 9 GLU H . . 3.200 2.745 2.618 2.891 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 8 GLU H 1 10 LEU H . . 5.400 4.123 3.907 4.312 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 8 GLU H 1 11 LYS H . . 7.000 5.010 4.802 5.261 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 8 GLU HA 1 8 GLU HB2 . . 3.100 2.817 2.788 2.881 . 0 0 "[ . 1 . 2 . 3]" 2
52 1 8 GLU HA 1 8 GLU HG2 . . 3.100 2.042 1.976 2.204 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 8 GLU HA 1 8 GLU HG3 . . 3.600 3.366 3.091 3.500 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 8 GLU HA 1 9 GLU H . . 3.700 3.577 3.507 3.622 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 8 GLU HA 1 10 LEU H . . 6.700 4.185 4.010 4.491 . 0 0 "[ . 1 . 2 . 3]" 2
56 1 8 GLU HA 1 11 LYS H . . 3.900 3.437 3.311 3.636 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 8 GLU HA 1 11 LYS HB2 . . 3.500 3.222 3.070 3.448 . 0 0 "[ . 1 . 2 . 3]" 2
58 1 8 GLU HA 1 11 LYS HB3 . . 3.900 3.799 3.593 3.902 0.002 29 0 "[ . 1 . 2 . 3]" 2
59 1 8 GLU HA 1 11 LYS HG3 . . 5.300 5.451 4.828 6.096 0.796 13 12 "[ * . ** 1* + . * ** -** *]" 2
60 1 8 GLU HA 1 11 LYS QD . . 7.700 5.003 3.882 6.021 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 8 GLU HA 1 12 GLY H . . 4.600 4.446 4.229 4.603 0.003 26 0 "[ . 1 . 2 . 3]" 2
62 1 8 GLU HB2 1 9 GLU H . . 3.800 3.418 3.230 3.675 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 8 GLU HB3 1 9 GLU H . . 3.500 3.027 2.724 3.298 . 0 0 "[ . 1 . 2 . 3]" 2
64 1 9 GLU H 1 9 GLU HB3 . . 3.400 3.263 2.205 3.395 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 9 GLU H 1 9 GLU HB2 . . 3.000 2.155 2.032 3.485 0.485 14 0 "[ . 1 . 2 . 3]" 2
66 1 9 GLU H 1 9 GLU HG2 . . 3.900 3.663 2.714 3.897 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 9 GLU H 1 9 GLU HG3 . . 3.700 3.422 3.275 3.758 0.058 26 0 "[ . 1 . 2 . 3]" 2
68 1 9 GLU H 1 10 LEU H . . 3.100 2.581 2.531 2.680 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 9 GLU H 1 11 LYS H . . 4.300 4.202 4.043 4.292 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 9 GLU H 1 12 GLY H . . 5.400 4.907 4.746 5.180 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 9 GLU HA 1 9 GLU HG2 . . 4.300 2.119 1.974 3.835 . 0 0 "[ . 1 . 2 . 3]" 2
72 1 9 GLU HA 1 9 GLU HG3 . . 3.300 3.136 2.953 3.532 0.232 14 0 "[ . 1 . 2 . 3]" 2
73 1 9 GLU HA 1 10 LEU H . . 4.100 3.568 3.536 3.600 . 0 0 "[ . 1 . 2 . 3]" 2
74 1 9 GLU HA 1 12 GLY H . . 4.700 3.297 3.154 3.519 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 9 GLU HA 1 12 GLY HA3 . . 5.900 3.718 3.470 4.125 . 0 0 "[ . 1 . 2 . 3]" 2
76 1 9 GLU HA 1 13 ILE H . . 7.000 3.583 3.367 3.833 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 9 GLU HB3 1 10 LEU H . . 4.000 3.385 3.174 3.672 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 9 GLU HB3 1 11 LYS H . . 7.000 5.379 5.188 5.657 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 9 GLU HB2 1 10 LEU H . . 3.600 3.249 3.088 4.107 0.507 14 1 "[ . 1 +. 2 . 3]" 2
80 1 9 GLU HB2 1 10 LEU HB2 . . 6.600 5.297 5.034 6.139 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 9 GLU HG2 1 10 LEU H . . 6.900 4.826 2.151 5.053 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 9 GLU HG3 1 10 LEU H . . 5.200 5.015 2.643 5.207 0.007 20 0 "[ . 1 . 2 . 3]" 2
83 1 10 LEU H 1 10 LEU HB2 . . 3.000 2.177 2.066 2.494 . 0 0 "[ . 1 . 2 . 3]" 2
84 1 10 LEU H 1 10 LEU HB3 . . 3.600 3.452 3.385 3.534 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 10 LEU H 1 10 LEU HG . . 3.100 2.759 2.071 3.025 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 10 LEU H 1 10 LEU MD1 . . 5.100 3.578 3.312 3.788 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 10 LEU H 1 10 LEU MD2 . . 4.900 3.834 3.319 4.039 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 10 LEU H 1 11 LYS H . . 3.000 2.695 2.589 2.806 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 10 LEU H 1 12 GLY H . . 5.000 4.370 4.256 4.603 . 0 0 "[ . 1 . 2 . 3]" 2
90 1 10 LEU H 1 13 ILE H . . 6.000 4.733 4.624 4.848 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 10 LEU H 1 13 ILE HB . . 6.200 4.755 4.518 4.922 . 0 0 "[ . 1 . 2 . 3]" 2
92 1 10 LEU HA 1 10 LEU HG . . 4.000 2.709 2.539 3.034 . 0 0 "[ . 1 . 2 . 3]" 2
93 1 10 LEU HA 1 10 LEU MD1 . . 4.600 3.818 3.787 3.901 . 0 0 "[ . 1 . 2 . 3]" 2
94 1 10 LEU HA 1 10 LEU MD2 . . 3.400 2.134 1.989 2.417 . 0 0 "[ . 1 . 2 . 3]" 2
95 1 10 LEU HA 1 11 LYS H . . 4.000 3.598 3.571 3.615 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 10 LEU HA 1 11 LYS HA . . 5.700 4.764 4.727 4.807 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 10 LEU HA 1 12 GLY H . . 5.400 4.804 4.669 5.011 . 0 0 "[ . 1 . 2 . 3]" 2
98 1 10 LEU HA 1 13 ILE H . . 4.000 3.765 3.559 3.960 . 0 0 "[ . 1 . 2 . 3]" 2
99 1 10 LEU HA 1 13 ILE HB . . 3.900 2.747 2.413 3.042 . 0 0 "[ . 1 . 2 . 3]" 2
100 1 10 LEU HA 1 13 ILE MG . . 8.000 3.591 3.026 3.902 . 0 0 "[ . 1 . 2 . 3]" 2
101 1 10 LEU HA 1 13 ILE HG13 . . 7.000 4.630 3.941 5.180 . 0 0 "[ . 1 . 2 . 3]" 2
102 1 10 LEU HA 1 70 PHE QE . . 9.000 4.512 4.010 5.548 . 0 0 "[ . 1 . 2 . 3]" 2
103 1 10 LEU HB2 1 10 LEU HG . . 3.100 2.528 2.445 2.618 . 0 0 "[ . 1 . 2 . 3]" 2
104 1 10 LEU HB2 1 11 LYS H . . 3.500 2.890 2.684 3.128 . 0 0 "[ . 1 . 2 . 3]" 2
105 1 10 LEU HB2 1 11 LYS HB3 . . 6.200 5.681 5.368 5.855 . 0 0 "[ . 1 . 2 . 3]" 2
106 1 10 LEU HB2 1 70 PHE QE . . 9.000 4.686 3.625 5.815 . 0 0 "[ . 1 . 2 . 3]" 2
107 1 10 LEU HB3 1 10 LEU MD1 . . 3.400 2.459 2.290 2.654 . 0 0 "[ . 1 . 2 . 3]" 2
108 1 10 LEU HB3 1 10 LEU MD2 . . 3.600 2.310 2.162 2.404 . 0 0 "[ . 1 . 2 . 3]" 2
109 1 10 LEU HB3 1 11 LYS H . . 3.900 3.469 3.188 3.750 . 0 0 "[ . 1 . 2 . 3]" 2
110 1 10 LEU HB3 1 12 GLY H . . 7.000 5.775 5.554 6.033 . 0 0 "[ . 1 . 2 . 3]" 2
111 1 10 LEU HB3 1 70 PHE QE . . 7.600 3.111 2.297 4.468 . 0 0 "[ . 1 . 2 . 3]" 2
112 1 10 LEU HB3 1 74 VAL MG1 . . 7.800 6.302 5.451 6.405 . 0 0 "[ . 1 . 2 . 3]" 2
113 1 10 LEU HG 1 70 PHE QE . . 9.000 4.895 4.282 5.746 . 0 0 "[ . 1 . 2 . 3]" 2
114 1 10 LEU MD1 1 11 LYS H . . 8.000 4.683 4.473 4.863 . 0 0 "[ . 1 . 2 . 3]" 2
115 1 10 LEU MD1 1 40 PHE QD . . 9.800 5.980 5.248 6.686 . 0 0 "[ . 1 . 2 . 3]" 2
116 1 10 LEU MD1 1 40 PHE QE . . 8.600 4.328 3.577 5.494 . 0 0 "[ . 1 . 2 . 3]" 2
117 1 10 LEU MD1 1 70 PHE QD . . 10.000 4.493 4.028 5.111 . 0 0 "[ . 1 . 2 . 3]" 2
118 1 10 LEU MD1 1 70 PHE QE . . 10.000 3.383 2.409 4.209 . 0 0 "[ . 1 . 2 . 3]" 2
119 1 10 LEU MD1 1 77 ILE MD . . 9.000 4.603 3.544 5.506 . 0 0 "[ . 1 . 2 . 3]" 2
120 1 10 LEU MD2 1 11 LYS H . . 8.000 4.753 4.638 4.855 . 0 0 "[ . 1 . 2 . 3]" 2
121 1 10 LEU MD2 1 40 PHE QD . . 10.000 4.692 4.183 5.194 . 0 0 "[ . 1 . 2 . 3]" 2
122 1 10 LEU MD2 1 40 PHE QE . . 9.400 3.442 2.835 4.767 . 0 0 "[ . 1 . 2 . 3]" 2
123 1 10 LEU MD2 1 70 PHE QE . . 10.000 2.310 1.933 3.217 . 0 0 "[ . 1 . 2 . 3]" 2
124 1 10 LEU MD2 1 77 ILE MD . . 9.000 4.116 3.320 4.858 . 0 0 "[ . 1 . 2 . 3]" 2
125 1 11 LYS H 1 11 LYS HB2 . . 2.800 2.129 2.074 2.220 . 0 0 "[ . 1 . 2 . 3]" 2
126 1 11 LYS H 1 11 LYS HB3 . . 3.000 2.888 2.756 2.973 . 0 0 "[ . 1 . 2 . 3]" 2
127 1 11 LYS H 1 11 LYS HG2 . . 4.500 4.328 3.993 4.641 0.141 17 0 "[ . 1 . 2 . 3]" 2
128 1 11 LYS H 1 11 LYS HG3 . . 5.200 4.231 3.949 4.487 . 0 0 "[ . 1 . 2 . 3]" 2
129 1 11 LYS H 1 11 LYS QD . . 6.000 4.299 3.507 4.686 . 0 0 "[ . 1 . 2 . 3]" 2
130 1 11 LYS H 1 12 GLY H . . 3.100 2.742 2.616 2.902 . 0 0 "[ . 1 . 2 . 3]" 2
131 1 11 LYS H 1 13 ILE H . . 4.600 4.312 4.170 4.429 . 0 0 "[ . 1 . 2 . 3]" 2
132 1 11 LYS H 1 67 PHE QE . . 8.900 4.336 3.463 5.051 . 0 0 "[ . 1 . 2 . 3]" 2
133 1 11 LYS HA 1 11 LYS HB2 . . 2.900 2.688 2.608 2.737 . 0 0 "[ . 1 . 2 . 3]" 2
134 1 11 LYS HA 1 11 LYS HG2 . . 3.700 2.598 2.006 3.602 . 0 0 "[ . 1 . 2 . 3]" 2
135 1 11 LYS HA 1 11 LYS HG3 . . 4.500 2.783 1.995 3.505 . 0 0 "[ . 1 . 2 . 3]" 2
136 1 11 LYS HA 1 12 GLY H . . 3.700 3.632 3.625 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
137 1 11 LYS HA 1 14 PHE H . . 4.400 3.660 3.618 3.737 . 0 0 "[ . 1 . 2 . 3]" 2
138 1 11 LYS HA 1 14 PHE HB3 . . 4.900 2.439 2.285 2.671 . 0 0 "[ . 1 . 2 . 3]" 2
139 1 11 LYS HA 1 15 GLU H . . 4.900 3.975 3.796 4.153 . 0 0 "[ . 1 . 2 . 3]" 2
140 1 11 LYS HA 1 67 PHE QD . . 9.000 3.990 2.983 4.521 . 0 0 "[ . 1 . 2 . 3]" 2
141 1 11 LYS HA 1 67 PHE QE . . 7.500 3.538 2.454 4.581 . 0 0 "[ . 1 . 2 . 3]" 2
142 1 11 LYS HA 1 67 PHE HZ . . 5.500 4.502 3.706 5.501 0.001 11 0 "[ . 1 . 2 . 3]" 2
143 1 11 LYS HB2 1 11 LYS HG2 . . 3.100 2.815 2.505 3.056 . 0 0 "[ . 1 . 2 . 3]" 2
144 1 11 LYS HB2 1 11 LYS HG3 . . 3.100 2.539 2.266 3.056 . 0 0 "[ . 1 . 2 . 3]" 2
145 1 11 LYS HB2 1 12 GLY H . . 3.500 3.463 3.317 3.521 0.021 30 0 "[ . 1 . 2 . 3]" 2
146 1 11 LYS HB2 1 67 PHE QE . . 8.100 4.210 3.197 4.777 . 0 0 "[ . 1 . 2 . 3]" 2
147 1 11 LYS HB2 1 67 PHE HZ . . 5.200 4.223 3.513 4.924 . 0 0 "[ . 1 . 2 . 3]" 2
148 1 11 LYS HB3 1 12 GLY H . . 3.200 2.505 2.254 2.611 . 0 0 "[ . 1 . 2 . 3]" 2
149 1 11 LYS HB3 1 67 PHE QE . . 9.000 5.437 4.562 6.025 . 0 0 "[ . 1 . 2 . 3]" 2
150 1 11 LYS HG2 1 12 GLY H . . 7.000 4.641 4.236 4.995 . 0 0 "[ . 1 . 2 . 3]" 2
151 1 11 LYS HG2 1 12 GLY HA2 . . 5.800 5.334 4.678 6.084 0.284 18 0 "[ . 1 . 2 . 3]" 2
152 1 11 LYS HG2 1 67 PHE QE . . 9.000 4.522 3.375 5.622 . 0 0 "[ . 1 . 2 . 3]" 2
153 1 11 LYS HG2 1 67 PHE HZ . . 6.300 5.187 3.744 6.488 0.188 26 0 "[ . 1 . 2 . 3]" 2
154 1 11 LYS HG3 1 12 GLY H . . 6.700 4.891 4.162 5.205 . 0 0 "[ . 1 . 2 . 3]" 2
155 1 11 LYS HG3 1 67 PHE QE . . 9.000 3.981 3.192 5.299 . 0 0 "[ . 1 . 2 . 3]" 2
156 1 11 LYS QD 1 67 PHE QE . . 10.000 4.263 2.233 5.677 . 0 0 "[ . 1 . 2 . 3]" 2
157 1 11 LYS QD 1 67 PHE HZ . . 8.000 4.963 2.457 6.534 . 0 0 "[ . 1 . 2 . 3]" 2
158 1 11 LYS HE2 1 67 PHE QD . . 9.000 5.355 2.946 7.006 . 0 0 "[ . 1 . 2 . 3]" 2
159 1 11 LYS HE2 1 67 PHE QE . . 9.000 5.371 2.250 6.814 . 0 0 "[ . 1 . 2 . 3]" 2
160 1 12 GLY H 1 12 GLY HA2 . . 2.800 2.770 2.742 2.791 . 0 0 "[ . 1 . 2 . 3]" 2
161 1 12 GLY H 1 12 GLY HA3 . . 3.000 2.247 2.246 2.250 . 0 0 "[ . 1 . 2 . 3]" 2
162 1 12 GLY H 1 13 ILE H . . 3.000 2.916 2.838 3.004 0.004 25 0 "[ . 1 . 2 . 3]" 2
163 1 12 GLY HA2 1 13 ILE H . . 3.700 3.644 3.638 3.646 . 0 0 "[ . 1 . 2 . 3]" 2
164 1 12 GLY HA2 1 15 GLU H . . 4.700 3.672 3.627 3.725 . 0 0 "[ . 1 . 2 . 3]" 2
165 1 12 GLY HA2 1 15 GLU HB2 . . 4.400 3.150 2.991 3.330 . 0 0 "[ . 1 . 2 . 3]" 2
166 1 12 GLY HA2 1 15 GLU HB3 . . 5.300 3.977 3.688 4.162 . 0 0 "[ . 1 . 2 . 3]" 2
167 1 12 GLY HA3 1 13 ILE H . . 3.900 2.702 2.648 2.775 . 0 0 "[ . 1 . 2 . 3]" 2
168 1 12 GLY HA3 1 15 GLU H . . 4.400 4.808 4.796 4.832 0.432 22 0 "[ . 1 . 2 . 3]" 2
169 1 12 GLY HA3 1 15 GLU HB2 . . 5.600 4.781 4.638 4.955 . 0 0 "[ . 1 . 2 . 3]" 2
170 1 12 GLY HA3 1 15 GLU HB3 . . 7.000 5.551 5.276 5.743 . 0 0 "[ . 1 . 2 . 3]" 2
171 1 12 GLY HA3 1 16 LYS H . . 5.600 4.798 4.588 4.939 . 0 0 "[ . 1 . 2 . 3]" 2
172 1 13 ILE H 1 13 ILE HB . . 2.800 2.171 1.993 2.333 . 0 0 "[ . 1 . 2 . 3]" 2
173 1 13 ILE H 1 13 ILE MG . . 4.700 3.602 3.344 3.688 . 0 0 "[ . 1 . 2 . 3]" 2
174 1 13 ILE H 1 13 ILE HG12 . . 4.200 3.657 3.304 4.208 0.008 29 0 "[ . 1 . 2 . 3]" 2
175 1 13 ILE H 1 13 ILE HG13 . . 3.500 2.557 2.197 3.194 . 0 0 "[ . 1 . 2 . 3]" 2
176 1 13 ILE H 1 13 ILE MD . . 4.700 3.741 3.497 3.879 . 0 0 "[ . 1 . 2 . 3]" 2
177 1 13 ILE H 1 14 PHE H . . 3.500 2.830 2.811 2.864 . 0 0 "[ . 1 . 2 . 3]" 2
178 1 13 ILE H 1 15 GLU H . . 4.800 4.497 4.442 4.536 . 0 0 "[ . 1 . 2 . 3]" 2
179 1 13 ILE H 1 16 LYS H . . 6.100 4.571 4.502 4.624 . 0 0 "[ . 1 . 2 . 3]" 2
180 1 13 ILE H 1 16 LYS HB2 . . 7.000 4.727 4.310 5.017 . 0 0 "[ . 1 . 2 . 3]" 2
181 1 13 ILE H 1 16 LYS HB3 . . 7.000 5.091 4.787 5.713 . 0 0 "[ . 1 . 2 . 3]" 2
182 1 13 ILE HA 1 13 ILE HB . . 3.100 2.977 2.877 3.012 . 0 0 "[ . 1 . 2 . 3]" 2
183 1 13 ILE HA 1 13 ILE HG12 . . 3.600 2.308 2.201 2.483 . 0 0 "[ . 1 . 2 . 3]" 2
184 1 13 ILE HA 1 13 ILE HG13 . . 3.700 2.787 2.338 3.006 . 0 0 "[ . 1 . 2 . 3]" 2
185 1 13 ILE HA 1 13 ILE MD . . 4.400 3.707 3.652 3.751 . 0 0 "[ . 1 . 2 . 3]" 2
186 1 13 ILE HA 1 14 PHE H . . 4.500 3.622 3.616 3.629 . 0 0 "[ . 1 . 2 . 3]" 2
187 1 13 ILE HA 1 16 LYS H . . 5.100 3.334 3.268 3.424 . 0 0 "[ . 1 . 2 . 3]" 2
188 1 13 ILE HA 1 16 LYS HB2 . . 4.300 2.817 2.186 3.277 . 0 0 "[ . 1 . 2 . 3]" 2
189 1 13 ILE HA 1 16 LYS HB3 . . 3.400 2.543 2.334 3.110 . 0 0 "[ . 1 . 2 . 3]" 2
190 1 13 ILE HA 1 16 LYS HG2 . . 7.000 5.032 4.618 5.259 . 0 0 "[ . 1 . 2 . 3]" 2
191 1 13 ILE HA 1 16 LYS HG3 . . 7.000 4.644 3.945 5.050 . 0 0 "[ . 1 . 2 . 3]" 2
192 1 13 ILE HA 1 16 LYS HD3 . . 7.000 4.421 3.340 5.612 . 0 0 "[ . 1 . 2 . 3]" 2
193 1 13 ILE HA 1 17 TYR H . . 5.200 4.462 4.363 4.573 . 0 0 "[ . 1 . 2 . 3]" 2
194 1 13 ILE HA 1 17 TYR QD . . 8.200 3.624 3.358 3.876 . 0 0 "[ . 1 . 2 . 3]" 2
195 1 13 ILE HA 1 17 TYR QE . . 9.000 4.580 4.227 4.942 . 0 0 "[ . 1 . 2 . 3]" 2
196 1 13 ILE HB 1 13 ILE HG13 . . 2.800 2.424 2.371 2.526 . 0 0 "[ . 1 . 2 . 3]" 2
197 1 13 ILE HB 1 13 ILE MD . . 3.500 2.367 2.258 2.486 . 0 0 "[ . 1 . 2 . 3]" 2
198 1 13 ILE HB 1 14 PHE H . . 3.400 2.762 2.607 3.053 . 0 0 "[ . 1 . 2 . 3]" 2
199 1 13 ILE HG12 1 13 ILE MG . . 3.300 2.527 2.403 2.587 . 0 0 "[ . 1 . 2 . 3]" 2
200 1 13 ILE MG 1 14 PHE H . . 6.700 2.852 2.231 3.259 . 0 0 "[ . 1 . 2 . 3]" 2
201 1 13 ILE MG 1 17 TYR H . . 7.300 4.265 4.059 4.444 . 0 0 "[ . 1 . 2 . 3]" 2
202 1 13 ILE MG 1 17 TYR QD . . 7.900 2.470 1.949 2.997 . 0 0 "[ . 1 . 2 . 3]" 2
203 1 13 ILE MG 1 17 TYR QE . . 8.300 2.658 2.007 3.280 . 0 0 "[ . 1 . 2 . 3]" 2
204 1 13 ILE MG 1 40 PHE QD . . 10.000 6.507 5.845 6.870 . 0 0 "[ . 1 . 2 . 3]" 2
205 1 13 ILE MG 1 40 PHE QE . . 10.000 6.467 5.972 6.940 . 0 0 "[ . 1 . 2 . 3]" 2
206 1 13 ILE MD 1 14 PHE H . . 8.000 4.687 4.606 4.772 . 0 0 "[ . 1 . 2 . 3]" 2
207 1 13 ILE MD 1 17 TYR QE . . 10.000 4.086 3.535 4.450 . 0 0 "[ . 1 . 2 . 3]" 2
208 1 13 ILE MD 1 39 GLU HB2 . . 5.800 4.718 4.621 4.824 . 0 0 "[ . 1 . 2 . 3]" 2
209 1 13 ILE MD 1 40 PHE QD . . 10.000 6.946 6.054 7.289 . 0 0 "[ . 1 . 2 . 3]" 2
210 1 13 ILE MD 1 40 PHE QE . . 10.000 6.489 6.156 6.946 . 0 0 "[ . 1 . 2 . 3]" 2
211 1 14 PHE H 1 14 PHE HA . . 3.100 2.727 2.725 2.731 . 0 0 "[ . 1 . 2 . 3]" 2
212 1 14 PHE H 1 14 PHE HB2 . . 3.000 2.590 2.271 2.647 . 0 0 "[ . 1 . 2 . 3]" 2
213 1 14 PHE H 1 14 PHE HB3 . . 3.200 2.148 2.102 2.447 . 0 0 "[ . 1 . 2 . 3]" 2
214 1 14 PHE H 1 15 GLU H . . 3.200 2.970 2.962 2.981 . 0 0 "[ . 1 . 2 . 3]" 2
215 1 14 PHE H 1 16 LYS H . . 4.500 4.067 3.996 4.139 . 0 0 "[ . 1 . 2 . 3]" 2
216 1 14 PHE H 1 35 LEU MD1 . . 8.000 3.927 3.608 4.203 . 0 0 "[ . 1 . 2 . 3]" 2
217 1 14 PHE H 1 70 PHE QE . . 9.000 5.470 4.792 6.291 . 0 0 "[ . 1 . 2 . 3]" 2
218 1 14 PHE HA 1 14 PHE HB2 . . 2.800 2.409 2.389 2.539 . 0 0 "[ . 1 . 2 . 3]" 2
219 1 14 PHE HA 1 14 PHE HB3 . . 3.000 3.045 3.036 3.079 0.079 22 0 "[ . 1 . 2 . 3]" 2
220 1 14 PHE HA 1 15 GLU H . . 3.900 3.639 3.638 3.641 . 0 0 "[ . 1 . 2 . 3]" 2
221 1 14 PHE HA 1 16 LYS H . . 7.000 4.440 4.304 4.590 . 0 0 "[ . 1 . 2 . 3]" 2
222 1 14 PHE HA 1 17 TYR H . . 6.800 3.564 3.523 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
223 1 14 PHE HA 1 17 TYR HB2 . . 7.000 2.836 2.600 3.020 . 0 0 "[ . 1 . 2 . 3]" 2
224 1 14 PHE HA 1 17 TYR HB3 . . 4.500 4.230 3.806 4.510 0.010 29 0 "[ . 1 . 2 . 3]" 2
225 1 14 PHE HA 1 18 ALA H . . 7.000 4.060 3.946 4.259 . 0 0 "[ . 1 . 2 . 3]" 2
226 1 14 PHE HA 1 18 ALA MB . . 6.100 4.332 4.169 4.603 . 0 0 "[ . 1 . 2 . 3]" 2
227 1 14 PHE HA 1 27 LEU MD1 . . 8.000 3.905 3.682 4.230 . 0 0 "[ . 1 . 2 . 3]" 2
228 1 14 PHE HA 1 27 LEU MD2 . . 8.000 4.779 4.475 4.956 . 0 0 "[ . 1 . 2 . 3]" 2
229 1 14 PHE HA 1 35 LEU MD1 . . 5.700 2.074 1.907 2.429 . 0 0 "[ . 1 . 2 . 3]" 2
230 1 14 PHE HA 1 35 LEU MD2 . . 7.400 3.672 3.279 4.134 . 0 0 "[ . 1 . 2 . 3]" 2
231 1 14 PHE HA 1 70 PHE QE . . 9.000 5.089 4.129 6.114 . 0 0 "[ . 1 . 2 . 3]" 2
232 1 14 PHE HB2 1 15 GLU H . . 4.100 3.822 3.633 3.854 . 0 0 "[ . 1 . 2 . 3]" 2
233 1 14 PHE HB2 1 67 PHE QD . . 8.500 3.544 3.131 4.216 . 0 0 "[ . 1 . 2 . 3]" 2
234 1 14 PHE HB2 1 67 PHE QE . . 8.400 3.944 2.846 5.209 . 0 0 "[ . 1 . 2 . 3]" 2
235 1 14 PHE HB2 1 70 PHE QD . . 7.600 4.417 3.867 5.036 . 0 0 "[ . 1 . 2 . 3]" 2
236 1 14 PHE HB2 1 70 PHE QE . . 8.000 3.990 3.299 4.732 . 0 0 "[ . 1 . 2 . 3]" 2
237 1 14 PHE HB3 1 15 GLU H . . 3.600 2.391 2.150 2.444 . 0 0 "[ . 1 . 2 . 3]" 2
238 1 14 PHE HB3 1 67 PHE QD . . 7.800 4.068 3.164 4.919 . 0 0 "[ . 1 . 2 . 3]" 2
239 1 14 PHE HB3 1 67 PHE QE . . 8.000 4.420 3.695 5.685 . 0 0 "[ . 1 . 2 . 3]" 2
240 1 14 PHE HB3 1 70 PHE QD . . 9.000 5.632 5.096 6.160 . 0 0 "[ . 1 . 2 . 3]" 2
241 1 14 PHE HB3 1 70 PHE QE . . 9.000 5.372 4.726 5.921 . 0 0 "[ . 1 . 2 . 3]" 2
242 1 14 PHE QD 1 15 GLU H . . 8.800 2.187 2.071 2.940 . 0 0 "[ . 1 . 2 . 3]" 2
243 1 14 PHE QD 1 15 GLU HA . . 9.000 2.736 2.473 3.005 . 0 0 "[ . 1 . 2 . 3]" 2
244 1 14 PHE QD 1 18 ALA MB . . 10.000 3.525 3.144 3.870 . 0 0 "[ . 1 . 2 . 3]" 2
245 1 14 PHE QD 1 19 ALA H . . 8.800 6.120 5.753 6.504 . 0 0 "[ . 1 . 2 . 3]" 2
246 1 14 PHE QD 1 27 LEU MD1 . . 10.000 3.210 2.877 3.569 . 0 0 "[ . 1 . 2 . 3]" 2
247 1 14 PHE QD 1 27 LEU MD2 . . 10.000 3.414 3.226 4.516 . 0 0 "[ . 1 . 2 . 3]" 2
248 1 14 PHE QD 1 67 PHE QD . . 10.100 3.194 2.626 4.033 . 0 0 "[ . 1 . 2 . 3]" 2
249 1 14 PHE QD 1 70 PHE H . . 9.000 5.869 5.551 6.210 . 0 0 "[ . 1 . 2 . 3]" 2
250 1 14 PHE QD 1 70 PHE HB2 . . 8.900 3.902 3.533 4.250 . 0 0 "[ . 1 . 2 . 3]" 2
251 1 14 PHE QD 1 70 PHE HB3 . . 9.000 4.598 3.997 4.910 . 0 0 "[ . 1 . 2 . 3]" 2
252 1 14 PHE QD 1 70 PHE QE . . 11.000 4.119 3.284 4.873 . 0 0 "[ . 1 . 2 . 3]" 2
253 1 14 PHE QE 1 18 ALA H . . 9.000 5.092 4.958 5.345 . 0 0 "[ . 1 . 2 . 3]" 2
254 1 14 PHE QE 1 18 ALA MB . . 9.300 3.147 2.815 3.455 . 0 0 "[ . 1 . 2 . 3]" 2
255 1 14 PHE QE 1 27 LEU HB2 . . 8.900 3.730 3.530 3.933 . 0 0 "[ . 1 . 2 . 3]" 2
256 1 14 PHE QE 1 27 LEU HB3 . . 9.000 4.559 4.427 4.710 . 0 0 "[ . 1 . 2 . 3]" 2
257 1 14 PHE QE 1 65 VAL HB . . 9.000 5.261 4.889 5.548 . 0 0 "[ . 1 . 2 . 3]" 2
258 1 14 PHE QE 1 65 VAL MG1 . . 9.200 3.976 3.440 4.252 . 0 0 "[ . 1 . 2 . 3]" 2
259 1 14 PHE QE 1 67 PHE H . . 7.500 3.122 2.755 3.632 . 0 0 "[ . 1 . 2 . 3]" 2
260 1 14 PHE QE 1 67 PHE HA . . 7.400 2.988 2.414 3.715 . 0 0 "[ . 1 . 2 . 3]" 2
261 1 14 PHE QE 1 67 PHE HB2 . . 9.000 3.394 3.021 3.697 . 0 0 "[ . 1 . 2 . 3]" 2
262 1 14 PHE QE 1 67 PHE QD . . 8.900 3.850 3.260 4.671 . 0 0 "[ . 1 . 2 . 3]" 2
263 1 14 PHE HZ 1 18 ALA MB . . 7.700 3.482 3.305 4.071 . 0 0 "[ . 1 . 2 . 3]" 2
264 1 14 PHE HZ 1 26 GLN H . . 6.800 4.976 4.562 5.770 . 0 0 "[ . 1 . 2 . 3]" 2
265 1 14 PHE HZ 1 26 GLN HA . . 4.400 4.358 4.134 4.430 0.030 21 0 "[ . 1 . 2 . 3]" 2
266 1 14 PHE HZ 1 27 LEU H . . 6.000 4.373 3.816 4.594 . 0 0 "[ . 1 . 2 . 3]" 2
267 1 14 PHE HZ 1 27 LEU HB2 . . 6.400 4.662 3.288 5.162 . 0 0 "[ . 1 . 2 . 3]" 2
268 1 14 PHE HZ 1 27 LEU HB3 . . 7.000 5.784 4.740 6.050 . 0 0 "[ . 1 . 2 . 3]" 2
269 1 14 PHE HZ 1 27 LEU HG . . 4.700 3.837 2.413 4.755 0.055 19 0 "[ . 1 . 2 . 3]" 2
270 1 14 PHE HZ 1 27 LEU MD1 . . 8.000 4.240 2.320 4.500 . 0 0 "[ . 1 . 2 . 3]" 2
271 1 14 PHE HZ 1 27 LEU MD2 . . 8.000 2.233 1.912 4.981 . 0 0 "[ . 1 . 2 . 3]" 2
272 1 14 PHE HZ 1 66 SER HA . . 7.000 2.604 1.992 3.031 . 0 0 "[ . 1 . 2 . 3]" 2
273 1 14 PHE HZ 1 66 SER HB2 . . 6.200 4.570 4.138 4.981 . 0 0 "[ . 1 . 2 . 3]" 2
274 1 14 PHE HZ 1 67 PHE QD . . 6.900 4.872 3.947 5.676 . 0 0 "[ . 1 . 2 . 3]" 2
275 1 15 GLU H 1 15 GLU HB2 . . 2.800 2.029 2.021 2.038 . 0 0 "[ . 1 . 2 . 3]" 2
276 1 15 GLU H 1 15 GLU HB3 . . 3.300 3.228 3.098 3.310 0.010 18 0 "[ . 1 . 2 . 3]" 2
277 1 15 GLU H 1 15 GLU HG2 . . 4.100 3.974 3.661 4.096 . 0 0 "[ . 1 . 2 . 3]" 2
278 1 15 GLU H 1 15 GLU HG3 . . 3.900 3.576 3.321 3.883 . 0 0 "[ . 1 . 2 . 3]" 2
279 1 15 GLU H 1 16 LYS H . . 3.200 2.673 2.655 2.695 . 0 0 "[ . 1 . 2 . 3]" 2
280 1 15 GLU H 1 17 TYR H . . 7.000 3.992 3.844 4.102 . 0 0 "[ . 1 . 2 . 3]" 2
281 1 15 GLU H 1 18 ALA H . . 6.000 4.457 4.380 4.552 . 0 0 "[ . 1 . 2 . 3]" 2
282 1 15 GLU H 1 18 ALA MB . . 8.000 4.318 4.141 4.613 . 0 0 "[ . 1 . 2 . 3]" 2
283 1 15 GLU HA 1 15 GLU HB3 . . 3.000 2.885 2.840 2.947 . 0 0 "[ . 1 . 2 . 3]" 2
284 1 15 GLU HA 1 15 GLU HG2 . . 3.100 2.042 1.961 2.185 . 0 0 "[ . 1 . 2 . 3]" 2
285 1 15 GLU HA 1 15 GLU HG3 . . 3.800 2.947 2.716 3.207 . 0 0 "[ . 1 . 2 . 3]" 2
286 1 15 GLU HA 1 16 LYS H . . 4.100 3.588 3.568 3.605 . 0 0 "[ . 1 . 2 . 3]" 2
287 1 15 GLU HA 1 18 ALA H . . 4.400 2.915 2.804 3.018 . 0 0 "[ . 1 . 2 . 3]" 2
288 1 15 GLU HA 1 18 ALA MB . . 3.300 2.304 2.119 2.481 . 0 0 "[ . 1 . 2 . 3]" 2
289 1 15 GLU HA 1 19 ALA H . . 7.000 3.702 3.412 4.175 . 0 0 "[ . 1 . 2 . 3]" 2
290 1 15 GLU HB2 1 16 LYS H . . 4.100 3.268 3.140 3.432 . 0 0 "[ . 1 . 2 . 3]" 2
291 1 15 GLU HB3 1 15 GLU HG2 . . 3.000 2.762 2.625 2.873 . 0 0 "[ . 1 . 2 . 3]" 2
292 1 15 GLU HB3 1 16 LYS H . . 4.000 3.100 2.891 3.278 . 0 0 "[ . 1 . 2 . 3]" 2
293 1 15 GLU HG2 1 16 LYS H . . 7.000 4.962 4.853 5.054 . 0 0 "[ . 1 . 2 . 3]" 2
294 1 15 GLU HG3 1 16 LYS H . . 7.000 5.222 5.118 5.345 . 0 0 "[ . 1 . 2 . 3]" 2
295 1 16 LYS H 1 16 LYS HA . . 3.100 2.776 2.752 2.790 . 0 0 "[ . 1 . 2 . 3]" 2
296 1 16 LYS H 1 16 LYS HB2 . . 3.200 2.256 2.003 2.450 . 0 0 "[ . 1 . 2 . 3]" 2
297 1 16 LYS H 1 16 LYS HB3 . . 3.200 2.706 2.473 3.172 . 0 0 "[ . 1 . 2 . 3]" 2
298 1 16 LYS H 1 16 LYS HG2 . . 5.100 4.333 4.019 4.518 . 0 0 "[ . 1 . 2 . 3]" 2
299 1 16 LYS H 1 16 LYS HG3 . . 5.400 4.266 3.660 4.481 . 0 0 "[ . 1 . 2 . 3]" 2
300 1 16 LYS H 1 16 LYS HD2 . . 6.500 4.783 4.390 5.299 . 0 0 "[ . 1 . 2 . 3]" 2
301 1 16 LYS H 1 16 LYS HD3 . . 5.600 5.197 4.530 5.589 . 0 0 "[ . 1 . 2 . 3]" 2
302 1 16 LYS H 1 17 TYR H . . 2.900 2.665 2.631 2.724 . 0 0 "[ . 1 . 2 . 3]" 2
303 1 16 LYS H 1 17 TYR HA . . 5.500 5.236 5.192 5.286 . 0 0 "[ . 1 . 2 . 3]" 2
304 1 16 LYS H 1 17 TYR QD . . 9.000 4.281 3.993 4.610 . 0 0 "[ . 1 . 2 . 3]" 2
305 1 16 LYS H 1 18 ALA H . . 5.100 4.165 3.993 4.326 . 0 0 "[ . 1 . 2 . 3]" 2
306 1 16 LYS HA 1 16 LYS HG2 . . 4.100 2.448 2.000 3.063 . 0 0 "[ . 1 . 2 . 3]" 2
307 1 16 LYS HA 1 16 LYS HG3 . . 2.900 2.832 2.229 3.428 0.528 4 1 "[ +. 1 . 2 . 3]" 2
308 1 16 LYS HA 1 16 LYS HD2 . . 5.200 4.425 3.883 4.786 . 0 0 "[ . 1 . 2 . 3]" 2
309 1 16 LYS HA 1 16 LYS HD3 . . 5.400 4.317 3.321 4.782 . 0 0 "[ . 1 . 2 . 3]" 2
310 1 16 LYS HA 1 17 TYR H . . 4.000 3.520 3.462 3.550 . 0 0 "[ . 1 . 2 . 3]" 2
311 1 16 LYS HA 1 17 TYR QD . . 9.000 5.099 4.605 5.701 . 0 0 "[ . 1 . 2 . 3]" 2
312 1 16 LYS HA 1 18 ALA H . . 7.000 4.790 4.614 4.969 . 0 0 "[ . 1 . 2 . 3]" 2
313 1 16 LYS HA 1 19 ALA MB . . 4.200 2.976 2.681 3.236 . 0 0 "[ . 1 . 2 . 3]" 2
314 1 16 LYS HB2 1 16 LYS HD2 . . 3.500 2.903 2.279 3.453 . 0 0 "[ . 1 . 2 . 3]" 2
315 1 16 LYS HB2 1 16 LYS HD3 . . 4.100 3.636 3.211 4.014 . 0 0 "[ . 1 . 2 . 3]" 2
316 1 16 LYS HB2 1 17 TYR H . . 4.200 3.993 3.507 4.192 . 0 0 "[ . 1 . 2 . 3]" 2
317 1 16 LYS HB2 1 17 TYR QD . . 7.100 4.485 3.694 5.259 . 0 0 "[ . 1 . 2 . 3]" 2
318 1 16 LYS HB2 1 17 TYR QE . . 9.000 5.904 5.114 6.699 . 0 0 "[ . 1 . 2 . 3]" 2
319 1 16 LYS HB3 1 16 LYS HD2 . . 3.000 2.455 1.997 2.999 . 0 0 "[ . 1 . 2 . 3]" 2
320 1 16 LYS HB3 1 16 LYS HD3 . . 3.400 2.699 2.053 3.162 . 0 0 "[ . 1 . 2 . 3]" 2
321 1 16 LYS HB3 1 17 TYR H . . 3.500 3.160 3.003 3.319 . 0 0 "[ . 1 . 2 . 3]" 2
322 1 16 LYS HB3 1 17 TYR HA . . 4.600 4.416 4.198 4.588 . 0 0 "[ . 1 . 2 . 3]" 2
323 1 16 LYS HB3 1 17 TYR QE . . 9.000 4.363 3.811 5.092 . 0 0 "[ . 1 . 2 . 3]" 2
324 1 16 LYS HG2 1 17 TYR QD . . 9.000 4.855 3.485 5.644 . 0 0 "[ . 1 . 2 . 3]" 2
325 1 16 LYS HG2 1 17 TYR QE . . 9.000 5.867 4.265 6.635 . 0 0 "[ . 1 . 2 . 3]" 2
326 1 16 LYS HG3 1 17 TYR H . . 7.000 5.384 5.035 5.586 . 0 0 "[ . 1 . 2 . 3]" 2
327 1 16 LYS HG3 1 17 TYR QD . . 9.000 5.595 4.840 6.469 . 0 0 "[ . 1 . 2 . 3]" 2
328 1 16 LYS HG3 1 17 TYR QE . . 9.000 6.513 5.754 7.309 . 0 0 "[ . 1 . 2 . 3]" 2
329 1 16 LYS HD2 1 17 TYR QD . . 9.000 4.451 3.029 5.909 . 0 0 "[ . 1 . 2 . 3]" 2
330 1 16 LYS HD3 1 17 TYR H . . 7.000 5.206 4.351 6.077 . 0 0 "[ . 1 . 2 . 3]" 2
331 1 16 LYS HD3 1 17 TYR QE . . 7.700 4.374 3.103 5.730 . 0 0 "[ . 1 . 2 . 3]" 2
332 1 16 LYS QE 1 17 TYR QE . . 10.000 5.560 3.873 6.607 . 0 0 "[ . 1 . 2 . 3]" 2
333 1 17 TYR H 1 17 TYR HB2 . . 3.100 2.006 1.974 2.041 . 0 0 "[ . 1 . 2 . 3]" 2
334 1 17 TYR H 1 17 TYR HB3 . . 3.400 3.301 3.197 3.361 . 0 0 "[ . 1 . 2 . 3]" 2
335 1 17 TYR H 1 17 TYR QD . . 5.600 2.885 2.573 3.270 . 0 0 "[ . 1 . 2 . 3]" 2
336 1 17 TYR H 1 18 ALA H . . 2.900 2.231 2.191 2.280 . 0 0 "[ . 1 . 2 . 3]" 2
337 1 17 TYR H 1 18 ALA MB . . 4.700 3.863 3.814 3.920 . 0 0 "[ . 1 . 2 . 3]" 2
338 1 17 TYR H 1 19 ALA H . . 5.800 3.490 3.396 3.623 . 0 0 "[ . 1 . 2 . 3]" 2
339 1 17 TYR H 1 27 LEU MD2 . . 8.000 5.438 5.073 5.793 . 0 0 "[ . 1 . 2 . 3]" 2
340 1 17 TYR H 1 35 LEU MD1 . . 8.000 3.592 3.268 4.054 . 0 0 "[ . 1 . 2 . 3]" 2
341 1 17 TYR HA 1 17 TYR HB3 . . 3.000 2.779 2.732 2.849 . 0 0 "[ . 1 . 2 . 3]" 2
342 1 17 TYR HA 1 17 TYR QE . . 6.200 4.605 4.482 4.657 . 0 0 "[ . 1 . 2 . 3]" 2
343 1 17 TYR HA 1 18 ALA H . . 3.900 3.608 3.578 3.625 . 0 0 "[ . 1 . 2 . 3]" 2
344 1 17 TYR HA 1 20 LYS H . . 5.900 3.105 2.990 3.381 . 0 0 "[ . 1 . 2 . 3]" 2
345 1 17 TYR HA 1 20 LYS HB2 . . 5.000 2.413 2.190 3.477 . 0 0 "[ . 1 . 2 . 3]" 2
346 1 17 TYR HA 1 20 LYS HB3 . . 6.000 4.001 3.758 5.020 . 0 0 "[ . 1 . 2 . 3]" 2
347 1 17 TYR HB2 1 18 ALA H . . 3.500 2.716 2.576 2.803 . 0 0 "[ . 1 . 2 . 3]" 2
348 1 17 TYR HB2 1 27 LEU MD1 . . 6.600 3.747 3.557 3.997 . 0 0 "[ . 1 . 2 . 3]" 2
349 1 17 TYR HB2 1 27 LEU MD2 . . 6.300 4.994 4.217 5.105 . 0 0 "[ . 1 . 2 . 3]" 2
350 1 17 TYR HB2 1 35 LEU MD1 . . 5.200 2.081 1.814 2.495 . 0 0 "[ . 1 . 2 . 3]" 2
351 1 17 TYR HB3 1 18 ALA H . . 4.200 3.142 2.903 3.408 . 0 0 "[ . 1 . 2 . 3]" 2
352 1 17 TYR HB3 1 27 LEU MD1 . . 8.000 3.301 2.947 4.056 . 0 0 "[ . 1 . 2 . 3]" 2
353 1 17 TYR HB3 1 27 LEU MD2 . . 7.700 4.858 3.471 5.172 . 0 0 "[ . 1 . 2 . 3]" 2
354 1 17 TYR HB3 1 35 LEU H . . 7.000 4.388 3.927 5.199 . 0 0 "[ . 1 . 2 . 3]" 2
355 1 17 TYR HB3 1 35 LEU MD1 . . 6.100 2.268 1.960 2.636 . 0 0 "[ . 1 . 2 . 3]" 2
356 1 17 TYR QD 1 18 ALA H . . 8.500 4.476 4.393 4.551 . 0 0 "[ . 1 . 2 . 3]" 2
357 1 17 TYR QD 1 27 LEU MD1 . . 10.000 4.511 3.976 5.320 . 0 0 "[ . 1 . 2 . 3]" 2
358 1 17 TYR QD 1 27 LEU MD2 . . 10.000 6.043 4.540 6.301 . 0 0 "[ . 1 . 2 . 3]" 2
359 1 17 TYR QD 1 34 LEU HB2 . . 7.400 2.626 1.999 3.459 . 0 0 "[ . 1 . 2 . 3]" 2
360 1 17 TYR QD 1 34 LEU HB3 . . 7.600 3.585 2.950 4.544 . 0 0 "[ . 1 . 2 . 3]" 2
361 1 17 TYR QD 1 34 LEU HG . . 8.100 4.743 4.212 5.473 . 0 0 "[ . 1 . 2 . 3]" 2
362 1 17 TYR QD 1 34 LEU MD1 . . 9.700 3.862 3.037 4.631 . 0 0 "[ . 1 . 2 . 3]" 2
363 1 17 TYR QD 1 34 LEU MD2 . . 10.000 5.233 4.450 5.952 . 0 0 "[ . 1 . 2 . 3]" 2
364 1 17 TYR QD 1 35 LEU H . . 7.300 2.743 2.230 3.488 . 0 0 "[ . 1 . 2 . 3]" 2
365 1 17 TYR QD 1 35 LEU HA . . 7.200 3.398 2.961 3.709 . 0 0 "[ . 1 . 2 . 3]" 2
366 1 17 TYR QD 1 35 LEU HB2 . . 7.600 2.685 2.252 3.473 . 0 0 "[ . 1 . 2 . 3]" 2
367 1 17 TYR QD 1 35 LEU HB3 . . 9.000 4.269 3.947 4.760 . 0 0 "[ . 1 . 2 . 3]" 2
368 1 17 TYR QD 1 35 LEU HG . . 6.500 3.862 3.123 4.342 . 0 0 "[ . 1 . 2 . 3]" 2
369 1 17 TYR QD 1 35 LEU MD1 . . 7.900 2.352 1.915 2.719 . 0 0 "[ . 1 . 2 . 3]" 2
370 1 17 TYR QD 1 35 LEU MD2 . . 10.000 4.456 4.154 4.715 . 0 0 "[ . 1 . 2 . 3]" 2
371 1 17 TYR QE 1 34 LEU HB3 . . 6.700 2.365 1.990 2.928 . 0 0 "[ . 1 . 2 . 3]" 2
372 1 17 TYR QE 1 34 LEU HG . . 7.600 4.895 4.589 5.213 . 0 0 "[ . 1 . 2 . 3]" 2
373 1 17 TYR QE 1 34 LEU MD1 . . 10.000 3.805 3.133 4.126 . 0 0 "[ . 1 . 2 . 3]" 2
374 1 17 TYR QE 1 34 LEU MD2 . . 10.000 4.454 3.909 4.887 . 0 0 "[ . 1 . 2 . 3]" 2
375 1 17 TYR QE 1 35 LEU H . . 9.000 2.985 2.478 3.843 . 0 0 "[ . 1 . 2 . 3]" 2
376 1 17 TYR QE 1 35 LEU HA . . 5.900 2.477 2.027 3.153 . 0 0 "[ . 1 . 2 . 3]" 2
377 1 17 TYR QE 1 35 LEU HB2 . . 9.000 3.702 2.876 4.303 . 0 0 "[ . 1 . 2 . 3]" 2
378 1 17 TYR QE 1 35 LEU HG . . 7.100 3.805 3.132 4.441 . 0 0 "[ . 1 . 2 . 3]" 2
379 1 17 TYR QE 1 35 LEU MD1 . . 10.000 3.389 2.858 3.768 . 0 0 "[ . 1 . 2 . 3]" 2
380 1 17 TYR QE 1 35 LEU MD2 . . 10.000 4.812 4.405 5.280 . 0 0 "[ . 1 . 2 . 3]" 2
381 1 17 TYR QE 1 38 THR HB . . 9.000 3.610 3.209 4.054 . 0 0 "[ . 1 . 2 . 3]" 2
382 1 17 TYR QE 1 38 THR MG . . 10.000 3.409 3.058 3.972 . 0 0 "[ . 1 . 2 . 3]" 2
383 1 17 TYR QE 1 39 GLU HG2 . . 9.000 6.881 6.219 7.440 . 0 0 "[ . 1 . 2 . 3]" 2
384 1 18 ALA H 1 18 ALA MB . . 3.300 2.087 2.035 2.160 . 0 0 "[ . 1 . 2 . 3]" 2
385 1 18 ALA H 1 19 ALA H . . 3.100 2.581 2.526 2.658 . 0 0 "[ . 1 . 2 . 3]" 2
386 1 18 ALA H 1 19 ALA MB . . 5.500 4.161 4.076 4.266 . 0 0 "[ . 1 . 2 . 3]" 2
387 1 18 ALA H 1 20 LYS H . . 5.300 3.960 3.827 4.183 . 0 0 "[ . 1 . 2 . 3]" 2
388 1 18 ALA H 1 27 LEU HG . . 7.000 5.751 4.291 6.216 . 0 0 "[ . 1 . 2 . 3]" 2
389 1 18 ALA H 1 27 LEU MD1 . . 6.700 3.410 3.088 4.146 . 0 0 "[ . 1 . 2 . 3]" 2
390 1 18 ALA H 1 27 LEU MD2 . . 5.700 3.808 3.372 4.562 . 0 0 "[ . 1 . 2 . 3]" 2
391 1 18 ALA HA 1 19 ALA H . . 4.600 3.498 3.399 3.548 . 0 0 "[ . 1 . 2 . 3]" 2
392 1 18 ALA HA 1 19 ALA HA . . 6.500 4.681 4.670 4.729 . 0 0 "[ . 1 . 2 . 3]" 2
393 1 18 ALA HA 1 20 LYS H . . 4.300 3.911 3.709 3.960 . 0 0 "[ . 1 . 2 . 3]" 2
394 1 18 ALA HA 1 21 GLU H . . 7.000 4.043 3.916 4.162 . 0 0 "[ . 1 . 2 . 3]" 2
395 1 18 ALA HA 1 27 LEU HA . . 3.600 3.549 3.421 3.640 0.040 4 0 "[ . 1 . 2 . 3]" 2
396 1 18 ALA HA 1 27 LEU MD1 . . 5.100 2.748 2.419 3.400 . 0 0 "[ . 1 . 2 . 3]" 2
397 1 18 ALA HA 1 27 LEU MD2 . . 4.500 3.113 2.292 3.707 . 0 0 "[ . 1 . 2 . 3]" 2
398 1 18 ALA HA 1 28 SER H . . 4.700 4.755 4.705 4.838 0.138 18 0 "[ . 1 . 2 . 3]" 2
399 1 18 ALA MB 1 19 ALA H . . 3.800 3.006 2.867 3.230 . 0 0 "[ . 1 . 2 . 3]" 2
400 1 18 ALA MB 1 19 ALA MB . . 9.000 3.776 3.658 3.999 . 0 0 "[ . 1 . 2 . 3]" 2
401 1 18 ALA MB 1 25 ASN H . . 8.000 4.109 3.874 4.306 . 0 0 "[ . 1 . 2 . 3]" 2
402 1 18 ALA MB 1 25 ASN HA . . 5.200 4.208 4.011 4.322 . 0 0 "[ . 1 . 2 . 3]" 2
403 1 18 ALA MB 1 26 GLN H . . 6.300 3.409 2.836 4.473 . 0 0 "[ . 1 . 2 . 3]" 2
404 1 18 ALA MB 1 27 LEU H . . 8.000 4.396 4.181 4.594 . 0 0 "[ . 1 . 2 . 3]" 2
405 1 19 ALA H 1 19 ALA MB . . 3.300 2.152 2.028 2.228 . 0 0 "[ . 1 . 2 . 3]" 2
406 1 19 ALA H 1 20 LYS H . . 3.100 2.302 2.264 2.424 . 0 0 "[ . 1 . 2 . 3]" 2
407 1 19 ALA H 1 24 PRO HA . . 4.100 3.748 3.437 3.832 . 0 0 "[ . 1 . 2 . 3]" 2
408 1 19 ALA H 1 24 PRO HB2 . . 7.000 4.242 4.061 4.582 . 0 0 "[ . 1 . 2 . 3]" 2
409 1 19 ALA H 1 27 LEU MD1 . . 8.000 5.235 4.962 5.890 . 0 0 "[ . 1 . 2 . 3]" 2
410 1 19 ALA H 1 27 LEU MD2 . . 8.000 5.289 4.862 6.272 . 0 0 "[ . 1 . 2 . 3]" 2
411 1 19 ALA HA 1 20 LYS H . . 4.000 3.501 3.484 3.530 . 0 0 "[ . 1 . 2 . 3]" 2
412 1 19 ALA HA 1 21 GLU H . . 7.000 4.788 4.759 4.843 . 0 0 "[ . 1 . 2 . 3]" 2
413 1 19 ALA HA 1 24 PRO HB3 . . 7.000 2.215 2.068 2.402 . 0 0 "[ . 1 . 2 . 3]" 2
414 1 19 ALA MB 1 20 LYS H . . 3.900 3.007 2.909 3.070 . 0 0 "[ . 1 . 2 . 3]" 2
415 1 20 LYS H 1 20 LYS HA . . 3.100 2.757 2.752 2.760 . 0 0 "[ . 1 . 2 . 3]" 2
416 1 20 LYS H 1 20 LYS HB2 . . 3.200 2.016 2.002 2.111 . 0 0 "[ . 1 . 2 . 3]" 2
417 1 20 LYS H 1 20 LYS HB3 . . 3.400 3.151 3.071 3.420 0.020 19 0 "[ . 1 . 2 . 3]" 2
418 1 20 LYS H 1 20 LYS HG2 . . 4.200 4.292 4.172 4.344 0.144 30 0 "[ . 1 . 2 . 3]" 2
419 1 20 LYS H 1 20 LYS HG3 . . 4.000 3.747 3.530 4.140 0.140 30 0 "[ . 1 . 2 . 3]" 2
420 1 20 LYS H 1 20 LYS HD2 . . 4.700 4.437 2.126 4.912 0.212 29 0 "[ . 1 . 2 . 3]" 2
421 1 20 LYS H 1 20 LYS HD3 . . 4.900 4.549 3.450 4.891 . 0 0 "[ . 1 . 2 . 3]" 2
422 1 20 LYS H 1 21 GLU H . . 3.500 3.019 3.006 3.047 . 0 0 "[ . 1 . 2 . 3]" 2
423 1 20 LYS H 1 31 GLU HG3 . . 6.900 5.787 5.566 6.007 . 0 0 "[ . 1 . 2 . 3]" 2
424 1 20 LYS H 1 31 GLU HG2 . . 7.000 5.048 4.530 5.958 . 0 0 "[ . 1 . 2 . 3]" 2
425 1 20 LYS HA 1 20 LYS HB3 . . 3.000 2.900 2.724 2.939 . 0 0 "[ . 1 . 2 . 3]" 2
426 1 20 LYS HA 1 20 LYS HG2 . . 3.900 2.550 2.281 3.476 . 0 0 "[ . 1 . 2 . 3]" 2
427 1 20 LYS HA 1 20 LYS HG3 . . 4.100 2.441 2.065 2.549 . 0 0 "[ . 1 . 2 . 3]" 2
428 1 20 LYS HA 1 20 LYS HD2 . . 4.400 4.116 2.391 4.508 0.108 24 0 "[ . 1 . 2 . 3]" 2
429 1 20 LYS HA 1 20 LYS HD3 . . 4.500 4.231 3.707 4.348 . 0 0 "[ . 1 . 2 . 3]" 2
430 1 20 LYS HA 1 21 GLU H . . 3.800 3.639 3.638 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
431 1 20 LYS HB2 1 20 LYS HD2 . . 3.400 2.901 2.425 3.128 . 0 0 "[ . 1 . 2 . 3]" 2
432 1 20 LYS HB2 1 20 LYS HD3 . . 3.500 2.806 2.522 2.961 . 0 0 "[ . 1 . 2 . 3]" 2
433 1 20 LYS HB2 1 20 LYS HE2 . . 4.800 4.724 4.392 5.006 0.206 4 0 "[ . 1 . 2 . 3]" 2
434 1 20 LYS HB2 1 21 GLU H . . 3.300 3.075 2.610 3.196 . 0 0 "[ . 1 . 2 . 3]" 2
435 1 20 LYS HB3 1 20 LYS HD2 . . 3.600 3.376 3.201 3.712 0.112 30 0 "[ . 1 . 2 . 3]" 2
436 1 20 LYS HB3 1 20 LYS HD3 . . 3.700 2.525 2.217 3.710 0.010 7 0 "[ . 1 . 2 . 3]" 2
437 1 20 LYS HB3 1 20 LYS HE2 . . 5.100 4.346 3.443 5.530 0.430 20 0 "[ . 1 . 2 . 3]" 2
438 1 20 LYS HB3 1 21 GLU H . . 3.500 2.373 2.307 2.722 . 0 0 "[ . 1 . 2 . 3]" 2
439 1 20 LYS HB3 1 31 GLU HG3 . . 4.700 4.695 4.542 4.780 0.080 20 0 "[ . 1 . 2 . 3]" 2
440 1 20 LYS HB3 1 31 GLU HG2 . . 4.100 3.450 3.226 3.973 . 0 0 "[ . 1 . 2 . 3]" 2
441 1 20 LYS HD2 1 20 LYS HG2 . . 2.900 3.011 2.922 3.048 0.148 30 0 "[ . 1 . 2 . 3]" 2
442 1 20 LYS HD3 1 20 LYS HG2 . . 3.000 2.658 2.356 2.847 . 0 0 "[ . 1 . 2 . 3]" 2
443 1 20 LYS HE2 1 20 LYS HG2 . . 3.500 2.876 2.076 3.728 0.228 20 0 "[ . 1 . 2 . 3]" 2
444 1 20 LYS HG2 1 21 GLU H . . 7.000 4.529 4.408 4.845 . 0 0 "[ . 1 . 2 . 3]" 2
445 1 20 LYS HD2 1 20 LYS HG3 . . 2.800 2.387 2.274 2.681 . 0 0 "[ . 1 . 2 . 3]" 2
446 1 20 LYS HE2 1 20 LYS HG3 . . 4.000 3.369 2.226 4.017 0.017 18 0 "[ . 1 . 2 . 3]" 2
447 1 20 LYS HG3 1 21 GLU H . . 7.000 4.891 4.631 4.949 . 0 0 "[ . 1 . 2 . 3]" 2
448 1 20 LYS HD2 1 21 GLU H . . 7.000 5.432 4.625 5.840 . 0 0 "[ . 1 . 2 . 3]" 2
449 1 20 LYS HD3 1 21 GLU H . . 7.000 4.662 4.451 5.452 . 0 0 "[ . 1 . 2 . 3]" 2
450 1 21 GLU H 1 21 GLU HB2 . . 3.400 2.471 2.415 2.529 . 0 0 "[ . 1 . 2 . 3]" 2
451 1 21 GLU H 1 21 GLU HB3 . . 3.700 3.642 3.599 3.686 . 0 0 "[ . 1 . 2 . 3]" 2
452 1 21 GLU H 1 21 GLU HG2 . . 3.600 3.638 3.587 3.706 0.106 19 0 "[ . 1 . 2 . 3]" 2
453 1 21 GLU H 1 21 GLU HG3 . . 3.500 3.541 3.487 3.614 0.114 19 0 "[ . 1 . 2 . 3]" 2
454 1 21 GLU H 1 22 GLY H . . 5.200 4.404 4.382 4.426 . 0 0 "[ . 1 . 2 . 3]" 2
455 1 21 GLU H 1 31 GLU HB2 . . 5.200 5.187 4.879 5.308 0.108 24 0 "[ . 1 . 2 . 3]" 2
456 1 21 GLU H 1 31 GLU HG3 . . 5.300 3.232 2.971 3.414 . 0 0 "[ . 1 . 2 . 3]" 2
457 1 21 GLU H 1 31 GLU HG2 . . 5.900 2.839 2.449 3.560 . 0 0 "[ . 1 . 2 . 3]" 2
458 1 21 GLU HA 1 21 GLU HG2 . . 3.700 2.163 2.126 2.202 . 0 0 "[ . 1 . 2 . 3]" 2
459 1 21 GLU HA 1 22 GLY H . . 2.600 2.230 2.223 2.236 . 0 0 "[ . 1 . 2 . 3]" 2
460 1 21 GLU HB2 1 21 GLU HG3 . . 3.000 2.280 2.277 2.283 . 0 0 "[ . 1 . 2 . 3]" 2
461 1 21 GLU HB2 1 31 GLU HB3 . . 4.700 4.586 4.429 4.703 0.003 8 0 "[ . 1 . 2 . 3]" 2
462 1 21 GLU HB3 1 21 GLU HG3 . . 3.100 2.940 2.934 2.946 . 0 0 "[ . 1 . 2 . 3]" 2
463 1 21 GLU HB3 1 22 GLY H . . 3.300 3.327 3.300 3.372 0.072 30 0 "[ . 1 . 2 . 3]" 2
464 1 21 GLU HB3 1 31 GLU HB2 . . 5.100 5.155 5.074 5.231 0.131 19 0 "[ . 1 . 2 . 3]" 2
465 1 21 GLU HB3 1 31 GLU HB3 . . 6.700 5.968 5.842 6.079 . 0 0 "[ . 1 . 2 . 3]" 2
466 1 21 GLU HG2 1 22 GLY H . . 4.600 4.158 4.084 4.232 . 0 0 "[ . 1 . 2 . 3]" 2
467 1 22 GLY H 1 22 GLY HA2 . . 2.800 2.249 2.247 2.254 . 0 0 "[ . 1 . 2 . 3]" 2
468 1 22 GLY H 1 23 ASP H . . 5.100 4.573 4.540 4.586 . 0 0 "[ . 1 . 2 . 3]" 2
469 1 22 GLY HA2 1 23 ASP H . . 3.400 2.618 2.564 2.626 . 0 0 "[ . 1 . 2 . 3]" 2
470 1 22 GLY HA3 1 23 ASP H . . 2.900 2.621 2.612 2.677 . 0 0 "[ . 1 . 2 . 3]" 2
471 1 23 ASP H 1 23 ASP HB2 . . 3.100 2.114 2.082 2.173 . 0 0 "[ . 1 . 2 . 3]" 2
472 1 23 ASP H 1 23 ASP HB3 . . 3.200 2.874 2.787 2.928 . 0 0 "[ . 1 . 2 . 3]" 2
473 1 23 ASP HA 1 24 PRO HD2 . . 3.100 2.550 2.517 2.611 . 0 0 "[ . 1 . 2 . 3]" 2
474 1 23 ASP HA 1 24 PRO HD3 . . 3.400 1.977 1.972 1.991 . 0 0 "[ . 1 . 2 . 3]" 2
475 1 23 ASP HA 1 25 ASN H . . 7.000 3.690 3.659 3.740 . 0 0 "[ . 1 . 2 . 3]" 2
476 1 23 ASP HB2 1 24 PRO HD2 . . 6.200 4.181 4.066 4.242 . 0 0 "[ . 1 . 2 . 3]" 2
477 1 23 ASP HB2 1 25 ASN H . . 5.300 4.040 3.983 4.116 . 0 0 "[ . 1 . 2 . 3]" 2
478 1 23 ASP HB2 1 26 GLN H . . 5.500 4.698 3.885 5.186 . 0 0 "[ . 1 . 2 . 3]" 2
479 1 23 ASP HB3 1 24 PRO HD2 . . 6.100 3.745 3.632 3.871 . 0 0 "[ . 1 . 2 . 3]" 2
480 1 23 ASP HB3 1 25 ASN H . . 5.000 2.576 2.491 2.767 . 0 0 "[ . 1 . 2 . 3]" 2
481 1 23 ASP HB3 1 26 GLN H . . 4.400 3.013 2.166 3.514 . 0 0 "[ . 1 . 2 . 3]" 2
482 1 24 PRO HA 1 25 ASN H . . 4.600 3.258 3.232 3.299 . 0 0 "[ . 1 . 2 . 3]" 2
483 1 24 PRO HB2 1 25 ASN H . . 5.500 4.002 3.926 4.047 . 0 0 "[ . 1 . 2 . 3]" 2
484 1 24 PRO HB3 1 24 PRO HG2 . . 2.900 2.956 2.956 2.957 0.057 7 0 "[ . 1 . 2 . 3]" 2
485 1 24 PRO HG2 1 25 ASN H . . 5.700 3.818 3.686 3.897 . 0 0 "[ . 1 . 2 . 3]" 2
486 1 24 PRO HD2 1 24 PRO HG3 . . 2.900 2.868 2.868 2.869 . 0 0 "[ . 1 . 2 . 3]" 2
487 1 24 PRO HG3 1 25 ASN H . . 7.000 4.728 4.639 4.782 . 0 0 "[ . 1 . 2 . 3]" 2
488 1 24 PRO HD2 1 25 ASN H . . 5.800 2.677 2.575 2.743 . 0 0 "[ . 1 . 2 . 3]" 2
489 1 24 PRO HD3 1 25 ASN H . . 6.200 3.813 3.766 3.844 . 0 0 "[ . 1 . 2 . 3]" 2
490 1 25 ASN H 1 25 ASN HB2 . . 3.000 2.336 2.211 3.115 0.115 28 0 "[ . 1 . 2 . 3]" 2
491 1 25 ASN H 1 25 ASN HB3 . . 4.100 3.495 2.140 3.610 . 0 0 "[ . 1 . 2 . 3]" 2
492 1 25 ASN H 1 25 ASN HD21 . . 4.600 3.246 2.038 4.500 . 0 0 "[ . 1 . 2 . 3]" 2
493 1 25 ASN H 1 25 ASN HD22 . . 4.800 4.286 3.536 5.025 0.225 28 0 "[ . 1 . 2 . 3]" 2
494 1 25 ASN H 1 26 GLN H . . 2.700 2.373 2.204 2.527 . 0 0 "[ . 1 . 2 . 3]" 2
495 1 25 ASN HA 1 25 ASN HB3 . . 3.000 2.634 2.436 2.994 . 0 0 "[ . 1 . 2 . 3]" 2
496 1 25 ASN HA 1 26 GLN H . . 3.700 3.371 3.206 3.644 . 0 0 "[ . 1 . 2 . 3]" 2
497 1 25 ASN HA 1 67 PHE H . . 7.000 5.586 5.115 6.200 . 0 0 "[ . 1 . 2 . 3]" 2
498 1 25 ASN HB2 1 25 ASN HD21 . . 3.500 2.634 2.103 3.565 0.065 24 0 "[ . 1 . 2 . 3]" 2
499 1 25 ASN HB2 1 25 ASN HD22 . . 4.100 3.693 3.445 4.156 0.056 24 0 "[ . 1 . 2 . 3]" 2
500 1 25 ASN HB2 1 26 GLN H . . 4.500 3.460 2.464 4.489 . 0 0 "[ . 1 . 2 . 3]" 2
501 1 25 ASN HB3 1 26 GLN H . . 4.700 4.074 3.173 4.514 . 0 0 "[ . 1 . 2 . 3]" 2
502 1 26 GLN H 1 26 GLN HB3 . . 4.000 3.558 3.055 3.758 . 0 0 "[ . 1 . 2 . 3]" 2
503 1 26 GLN H 1 26 GLN HG2 . . 5.100 2.283 1.928 3.304 . 0 0 "[ . 1 . 2 . 3]" 2
504 1 26 GLN H 1 26 GLN HG3 . . 4.600 3.070 2.073 3.762 . 0 0 "[ . 1 . 2 . 3]" 2
505 1 26 GLN HA 1 26 GLN HG2 . . 3.900 3.549 3.472 3.845 . 0 0 "[ . 1 . 2 . 3]" 2
506 1 26 GLN HA 1 27 LEU H . . 3.600 2.223 2.206 2.239 . 0 0 "[ . 1 . 2 . 3]" 2
507 1 26 GLN HA 1 67 PHE H . . 5.900 5.407 4.960 5.808 . 0 0 "[ . 1 . 2 . 3]" 2
508 1 26 GLN HB2 1 27 LEU H . . 5.000 3.401 3.258 3.605 . 0 0 "[ . 1 . 2 . 3]" 2
509 1 26 GLN HB3 1 27 LEU H . . 4.000 4.034 3.956 4.085 0.085 15 0 "[ . 1 . 2 . 3]" 2
510 1 26 GLN HE21 1 26 GLN HG2 . . 3.500 2.760 2.103 3.493 . 0 0 "[ . 1 . 2 . 3]" 2
511 1 27 LEU H 1 27 LEU HB2 . . 3.800 2.221 2.078 2.353 . 0 0 "[ . 1 . 2 . 3]" 2
512 1 27 LEU H 1 27 LEU HB3 . . 4.000 3.474 3.155 3.576 . 0 0 "[ . 1 . 2 . 3]" 2
513 1 27 LEU H 1 27 LEU HG . . 4.000 3.816 3.561 4.068 0.068 19 0 "[ . 1 . 2 . 3]" 2
514 1 27 LEU H 1 27 LEU MD1 . . 5.800 4.169 3.470 4.359 . 0 0 "[ . 1 . 2 . 3]" 2
515 1 27 LEU H 1 28 SER H . . 6.600 4.594 4.557 4.613 . 0 0 "[ . 1 . 2 . 3]" 2
516 1 27 LEU H 1 65 VAL H . . 4.000 2.506 2.179 3.199 . 0 0 "[ . 1 . 2 . 3]" 2
517 1 27 LEU H 1 65 VAL HB . . 5.400 3.730 3.407 3.981 . 0 0 "[ . 1 . 2 . 3]" 2
518 1 27 LEU H 1 65 VAL MG1 . . 8.000 4.405 3.771 4.692 . 0 0 "[ . 1 . 2 . 3]" 2
519 1 27 LEU HA 1 27 LEU HG . . 3.700 3.588 2.058 3.746 0.046 27 0 "[ . 1 . 2 . 3]" 2
520 1 27 LEU HA 1 27 LEU MD1 . . 3.900 2.595 2.357 3.272 . 0 0 "[ . 1 . 2 . 3]" 2
521 1 27 LEU HA 1 28 SER H . . 2.600 2.425 2.240 2.581 . 0 0 "[ . 1 . 2 . 3]" 2
522 1 27 LEU HA 1 31 GLU H . . 7.000 5.766 5.658 5.915 . 0 0 "[ . 1 . 2 . 3]" 2
523 1 27 LEU HA 1 31 GLU HB2 . . 3.900 3.791 3.615 3.933 0.033 24 0 "[ . 1 . 2 . 3]" 2
524 1 27 LEU HA 1 31 GLU HB3 . . 4.200 3.619 3.426 3.925 . 0 0 "[ . 1 . 2 . 3]" 2
525 1 27 LEU HA 1 31 GLU HG3 . . 7.000 4.747 4.405 4.992 . 0 0 "[ . 1 . 2 . 3]" 2
526 1 27 LEU HA 1 31 GLU HG2 . . 7.000 5.601 5.336 5.994 . 0 0 "[ . 1 . 2 . 3]" 2
527 1 27 LEU HA 1 32 LEU H . . 5.100 5.052 4.882 5.120 0.020 23 0 "[ . 1 . 2 . 3]" 2
528 1 27 LEU HA 1 65 VAL H . . 5.700 4.150 3.977 4.505 . 0 0 "[ . 1 . 2 . 3]" 2
529 1 27 LEU HB2 1 27 LEU HG . . 3.100 2.324 2.243 2.853 . 0 0 "[ . 1 . 2 . 3]" 2
530 1 27 LEU HB2 1 28 SER H . . 4.500 3.960 3.696 4.271 . 0 0 "[ . 1 . 2 . 3]" 2
531 1 27 LEU HB2 1 32 LEU H . . 7.000 5.653 5.286 5.876 . 0 0 "[ . 1 . 2 . 3]" 2
532 1 27 LEU HB2 1 65 VAL HB . . 3.100 2.121 1.985 2.860 . 0 0 "[ . 1 . 2 . 3]" 2
533 1 27 LEU HB2 1 65 VAL MG1 . . 6.800 2.825 2.196 3.304 . 0 0 "[ . 1 . 2 . 3]" 2
534 1 27 LEU HB3 1 28 SER H . . 3.900 2.653 2.273 3.153 . 0 0 "[ . 1 . 2 . 3]" 2
535 1 27 LEU HB3 1 31 GLU HB3 . . 4.300 4.005 3.599 4.318 0.018 19 0 "[ . 1 . 2 . 3]" 2
536 1 27 LEU HB3 1 32 LEU H . . 6.200 3.952 3.673 4.179 . 0 0 "[ . 1 . 2 . 3]" 2
537 1 27 LEU HB3 1 32 LEU HA . . 7.000 4.443 4.070 4.788 . 0 0 "[ . 1 . 2 . 3]" 2
538 1 27 LEU HB3 1 32 LEU HB2 . . 5.200 3.223 3.023 3.472 . 0 0 "[ . 1 . 2 . 3]" 2
539 1 27 LEU HB3 1 32 LEU HG . . 7.000 5.553 5.335 5.816 . 0 0 "[ . 1 . 2 . 3]" 2
540 1 27 LEU HB3 1 32 LEU MD1 . . 5.200 3.618 2.766 4.102 . 0 0 "[ . 1 . 2 . 3]" 2
541 1 27 LEU HB3 1 32 LEU MD2 . . 4.700 3.096 2.760 3.339 . 0 0 "[ . 1 . 2 . 3]" 2
542 1 27 LEU HB3 1 65 VAL H . . 7.000 3.471 2.941 4.133 . 0 0 "[ . 1 . 2 . 3]" 2
543 1 27 LEU HB3 1 65 VAL HB . . 3.900 2.429 1.989 2.910 . 0 0 "[ . 1 . 2 . 3]" 2
544 1 27 LEU HB3 1 65 VAL MG1 . . 8.000 3.251 3.018 3.820 . 0 0 "[ . 1 . 2 . 3]" 2
545 1 27 LEU HG 1 28 SER H . . 6.600 4.800 3.126 5.291 . 0 0 "[ . 1 . 2 . 3]" 2
546 1 27 LEU HG 1 65 VAL HB . . 4.800 3.875 3.353 4.848 0.048 19 0 "[ . 1 . 2 . 3]" 2
547 1 27 LEU MD1 1 28 SER H . . 7.100 3.068 2.562 4.368 . 0 0 "[ . 1 . 2 . 3]" 2
548 1 27 LEU MD1 1 31 GLU H . . 8.000 5.267 4.910 6.726 . 0 0 "[ . 1 . 2 . 3]" 2
549 1 27 LEU MD1 1 31 GLU HB2 . . 7.200 3.769 3.326 5.188 . 0 0 "[ . 1 . 2 . 3]" 2
550 1 27 LEU MD1 1 31 GLU HB3 . . 5.000 2.703 2.326 4.190 . 0 0 "[ . 1 . 2 . 3]" 2
551 1 27 LEU MD1 1 32 LEU H . . 8.000 3.644 3.185 5.170 . 0 0 "[ . 1 . 2 . 3]" 2
552 1 27 LEU MD1 1 32 LEU HA . . 6.700 3.146 2.638 4.362 . 0 0 "[ . 1 . 2 . 3]" 2
553 1 27 LEU MD1 1 32 LEU MD1 . . 9.000 2.503 1.932 3.341 . 0 0 "[ . 1 . 2 . 3]" 2
554 1 27 LEU MD1 1 32 LEU MD2 . . 9.000 3.436 2.583 3.899 . 0 0 "[ . 1 . 2 . 3]" 2
555 1 27 LEU MD1 1 35 LEU H . . 8.000 5.069 4.647 6.115 . 0 0 "[ . 1 . 2 . 3]" 2
556 1 27 LEU MD1 1 65 VAL HB . . 5.200 4.082 3.517 4.314 . 0 0 "[ . 1 . 2 . 3]" 2
557 1 27 LEU MD1 1 65 VAL MG1 . . 6.700 3.810 3.200 4.155 . 0 0 "[ . 1 . 2 . 3]" 2
558 1 27 LEU MD1 1 70 PHE H . . 8.000 6.516 5.219 6.658 . 0 0 "[ . 1 . 2 . 3]" 2
559 1 27 LEU MD1 1 70 PHE HB3 . . 8.000 6.336 5.057 6.598 . 0 0 "[ . 1 . 2 . 3]" 2
560 1 27 LEU MD1 1 70 PHE QD . . 8.600 4.598 3.554 5.135 . 0 0 "[ . 1 . 2 . 3]" 2
561 1 27 LEU MD1 1 70 PHE QE . . 10.000 4.816 3.559 5.868 . 0 0 "[ . 1 . 2 . 3]" 2
562 1 27 LEU MD2 1 28 SER H . . 8.000 3.951 2.311 4.209 . 0 0 "[ . 1 . 2 . 3]" 2
563 1 27 LEU MD2 1 31 GLU HB2 . . 8.000 4.985 2.865 5.399 . 0 0 "[ . 1 . 2 . 3]" 2
564 1 27 LEU MD2 1 32 LEU H . . 8.000 5.592 2.326 6.003 . 0 0 "[ . 1 . 2 . 3]" 2
565 1 27 LEU MD2 1 32 LEU HA . . 7.800 5.508 2.216 6.003 . 0 0 "[ . 1 . 2 . 3]" 2
566 1 27 LEU MD2 1 32 LEU MD1 . . 9.000 4.456 1.925 5.001 . 0 0 "[ . 1 . 2 . 3]" 2
567 1 27 LEU MD2 1 32 LEU MD2 . . 9.000 4.704 2.117 5.280 . 0 0 "[ . 1 . 2 . 3]" 2
568 1 27 LEU MD2 1 65 VAL HB . . 5.300 4.287 3.230 4.423 . 0 0 "[ . 1 . 2 . 3]" 2
569 1 27 LEU MD2 1 65 VAL MG1 . . 6.300 4.075 3.044 4.301 . 0 0 "[ . 1 . 2 . 3]" 2
570 1 27 LEU MD2 1 70 PHE H . . 8.000 5.992 5.621 6.588 . 0 0 "[ . 1 . 2 . 3]" 2
571 1 27 LEU MD2 1 70 PHE HB3 . . 8.000 6.162 5.779 6.601 . 0 0 "[ . 1 . 2 . 3]" 2
572 1 27 LEU MD2 1 70 PHE QD . . 7.600 5.383 4.392 5.802 . 0 0 "[ . 1 . 2 . 3]" 2
573 1 27 LEU MD2 1 70 PHE QE . . 9.400 6.116 4.705 6.810 . 0 0 "[ . 1 . 2 . 3]" 2
574 1 28 SER H 1 28 SER HB2 . . 3.400 2.744 2.433 2.910 . 0 0 "[ . 1 . 2 . 3]" 2
575 1 28 SER H 1 28 SER HB3 . . 4.100 3.805 3.627 3.893 . 0 0 "[ . 1 . 2 . 3]" 2
576 1 28 SER H 1 29 LYS H . . 6.000 4.452 4.401 4.521 . 0 0 "[ . 1 . 2 . 3]" 2
577 1 28 SER H 1 31 GLU H . . 4.200 3.554 3.483 3.631 . 0 0 "[ . 1 . 2 . 3]" 2
578 1 28 SER H 1 31 GLU HA . . 5.800 4.716 4.630 4.829 . 0 0 "[ . 1 . 2 . 3]" 2
579 1 28 SER H 1 31 GLU HB2 . . 2.600 1.918 1.884 1.957 . 0 0 "[ . 1 . 2 . 3]" 2
580 1 28 SER H 1 31 GLU HB3 . . 3.200 2.560 2.354 2.749 . 0 0 "[ . 1 . 2 . 3]" 2
581 1 28 SER H 1 31 GLU HG3 . . 5.400 3.776 3.429 4.004 . 0 0 "[ . 1 . 2 . 3]" 2
582 1 28 SER H 1 31 GLU HG2 . . 5.400 4.641 4.487 4.765 . 0 0 "[ . 1 . 2 . 3]" 2
583 1 28 SER H 1 32 LEU H . . 6.800 3.002 2.790 3.461 . 0 0 "[ . 1 . 2 . 3]" 2
584 1 28 SER H 1 64 GLU HA . . 7.000 5.464 5.221 6.013 . 0 0 "[ . 1 . 2 . 3]" 2
585 1 28 SER H 1 65 VAL H . . 4.700 4.542 4.368 4.768 0.068 18 0 "[ . 1 . 2 . 3]" 2
586 1 28 SER HA 1 29 LYS H . . 2.800 2.508 2.429 2.578 . 0 0 "[ . 1 . 2 . 3]" 2
587 1 28 SER HA 1 29 LYS HA . . 6.000 4.302 4.299 4.307 . 0 0 "[ . 1 . 2 . 3]" 2
588 1 28 SER HA 1 30 GLU H . . 5.400 4.830 4.731 4.915 . 0 0 "[ . 1 . 2 . 3]" 2
589 1 28 SER HA 1 31 GLU H . . 5.500 4.492 4.362 4.621 . 0 0 "[ . 1 . 2 . 3]" 2
590 1 28 SER HB2 1 29 LYS H . . 3.800 3.582 3.383 3.791 . 0 0 "[ . 1 . 2 . 3]" 2
591 1 28 SER HB2 1 30 GLU H . . 5.800 3.730 3.423 4.093 . 0 0 "[ . 1 . 2 . 3]" 2
592 1 28 SER HB2 1 31 GLU H . . 6.900 2.353 2.159 2.669 . 0 0 "[ . 1 . 2 . 3]" 2
593 1 28 SER HB2 1 31 GLU HB3 . . 7.000 3.791 3.672 3.967 . 0 0 "[ . 1 . 2 . 3]" 2
594 1 28 SER HB3 1 29 LYS H . . 3.100 2.481 2.305 2.699 . 0 0 "[ . 1 . 2 . 3]" 2
595 1 28 SER HB3 1 30 GLU H . . 5.800 3.341 2.970 3.555 . 0 0 "[ . 1 . 2 . 3]" 2
596 1 28 SER HB3 1 31 GLU H . . 7.000 3.372 3.069 3.541 . 0 0 "[ . 1 . 2 . 3]" 2
597 1 29 LYS H 1 29 LYS HB2 . . 2.900 2.380 2.320 2.450 . 0 0 "[ . 1 . 2 . 3]" 2
598 1 29 LYS H 1 29 LYS HB3 . . 3.100 2.542 2.469 2.608 . 0 0 "[ . 1 . 2 . 3]" 2
599 1 29 LYS H 1 30 GLU H . . 3.300 2.932 2.862 3.007 . 0 0 "[ . 1 . 2 . 3]" 2
600 1 29 LYS H 1 31 GLU H . . 7.000 4.011 3.856 4.089 . 0 0 "[ . 1 . 2 . 3]" 2
601 1 29 LYS H 1 32 LEU H . . 7.000 4.635 4.581 4.706 . 0 0 "[ . 1 . 2 . 3]" 2
602 1 29 LYS H 1 54 PHE HA . . 5.900 5.918 5.863 5.945 0.045 29 0 "[ . 1 . 2 . 3]" 2
603 1 29 LYS HA 1 29 LYS HB2 . . 2.800 2.481 2.440 2.515 . 0 0 "[ . 1 . 2 . 3]" 2
604 1 29 LYS HA 1 29 LYS HG2 . . 4.100 2.689 2.502 2.845 . 0 0 "[ . 1 . 2 . 3]" 2
605 1 29 LYS HA 1 29 LYS HG3 . . 3.900 2.755 2.584 2.940 . 0 0 "[ . 1 . 2 . 3]" 2
606 1 29 LYS HA 1 29 LYS QE . . 5.600 4.427 4.100 4.639 . 0 0 "[ . 1 . 2 . 3]" 2
607 1 29 LYS HA 1 30 GLU H . . 4.200 3.638 3.636 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
608 1 29 LYS HA 1 31 GLU H . . 7.000 4.435 4.210 4.590 . 0 0 "[ . 1 . 2 . 3]" 2
609 1 29 LYS HA 1 32 LEU H . . 4.400 3.685 3.502 3.796 . 0 0 "[ . 1 . 2 . 3]" 2
610 1 29 LYS HA 1 32 LEU HB3 . . 4.000 3.262 3.110 3.435 . 0 0 "[ . 1 . 2 . 3]" 2
611 1 29 LYS HA 1 32 LEU MD1 . . 8.000 5.628 5.386 5.764 . 0 0 "[ . 1 . 2 . 3]" 2
612 1 29 LYS HA 1 32 LEU MD2 . . 7.200 4.184 3.866 4.404 . 0 0 "[ . 1 . 2 . 3]" 2
613 1 29 LYS HA 1 33 LYS H . . 6.200 3.884 3.705 4.001 . 0 0 "[ . 1 . 2 . 3]" 2
614 1 29 LYS HA 1 50 LEU MD1 . . 8.000 3.916 2.955 5.220 . 0 0 "[ . 1 . 2 . 3]" 2
615 1 29 LYS HA 1 50 LEU MD2 . . 8.000 4.662 3.822 5.253 . 0 0 "[ . 1 . 2 . 3]" 2
616 1 29 LYS HA 1 54 PHE HA . . 5.000 4.226 4.078 4.370 . 0 0 "[ . 1 . 2 . 3]" 2
617 1 29 LYS HA 1 54 PHE HB2 . . 5.700 3.739 3.658 3.828 . 0 0 "[ . 1 . 2 . 3]" 2
618 1 29 LYS HA 1 54 PHE HB3 . . 5.200 5.222 5.160 5.244 0.044 29 0 "[ . 1 . 2 . 3]" 2
619 1 29 LYS HA 1 54 PHE QD . . 6.500 2.691 2.447 2.902 . 0 0 "[ . 1 . 2 . 3]" 2
620 1 29 LYS HB2 1 30 GLU H . . 3.700 3.752 3.708 3.788 0.088 7 0 "[ . 1 . 2 . 3]" 2
621 1 29 LYS HB2 1 54 PHE QD . . 7.600 2.857 2.720 3.012 . 0 0 "[ . 1 . 2 . 3]" 2
622 1 29 LYS HB3 1 29 LYS QE . . 4.600 3.282 2.442 3.987 . 0 0 "[ . 1 . 2 . 3]" 2
623 1 29 LYS HB3 1 30 GLU H . . 3.300 2.355 2.332 2.396 . 0 0 "[ . 1 . 2 . 3]" 2
624 1 29 LYS HG2 1 30 GLU HA . . 5.500 3.794 3.519 4.066 . 0 0 "[ . 1 . 2 . 3]" 2
625 1 29 LYS HG2 1 33 LYS H . . 6.000 4.242 4.074 4.379 . 0 0 "[ . 1 . 2 . 3]" 2
626 1 29 LYS HG2 1 33 LYS HB2 . . 5.000 3.541 3.347 3.748 . 0 0 "[ . 1 . 2 . 3]" 2
627 1 29 LYS HG2 1 33 LYS HB3 . . 4.900 4.905 4.810 4.938 0.038 4 0 "[ . 1 . 2 . 3]" 2
628 1 29 LYS HG2 1 50 LEU MD1 . . 3.900 2.641 1.755 3.810 . 0 0 "[ . 1 . 2 . 3]" 2
629 1 29 LYS HG2 1 50 LEU MD2 . . 4.600 3.153 1.766 3.851 . 0 0 "[ . 1 . 2 . 3]" 2
630 1 29 LYS HG2 1 54 PHE HB3 . . 7.000 5.107 4.825 5.354 . 0 0 "[ . 1 . 2 . 3]" 2
631 1 29 LYS HG2 1 54 PHE QD . . 5.500 4.317 4.097 4.636 . 0 0 "[ . 1 . 2 . 3]" 2
632 1 29 LYS HG3 1 30 GLU H . . 7.000 4.778 4.625 4.916 . 0 0 "[ . 1 . 2 . 3]" 2
633 1 29 LYS HG3 1 50 LEU MD1 . . 5.200 3.022 1.948 4.682 . 0 0 "[ . 1 . 2 . 3]" 2
634 1 29 LYS HG3 1 50 LEU MD2 . . 6.800 3.911 2.402 4.787 . 0 0 "[ . 1 . 2 . 3]" 2
635 1 29 LYS HG3 1 51 ASP HA . . 7.000 3.668 3.246 4.012 . 0 0 "[ . 1 . 2 . 3]" 2
636 1 29 LYS QE 1 50 LEU MD1 . . 9.000 3.358 1.954 4.808 . 0 0 "[ . 1 . 2 . 3]" 2
637 1 29 LYS QE 1 50 LEU MD2 . . 9.000 3.760 1.897 5.481 . 0 0 "[ . 1 . 2 . 3]" 2
638 1 30 GLU H 1 30 GLU HB2 . . 3.000 2.024 2.017 2.087 . 0 0 "[ . 1 . 2 . 3]" 2
639 1 30 GLU H 1 30 GLU HB3 . . 3.200 3.237 3.108 3.393 0.193 1 0 "[ . 1 . 2 . 3]" 2
640 1 30 GLU H 1 30 GLU HG2 . . 3.900 3.871 3.555 3.947 0.047 4 0 "[ . 1 . 2 . 3]" 2
641 1 30 GLU H 1 30 GLU HG3 . . 4.100 3.707 3.528 4.160 0.060 1 0 "[ . 1 . 2 . 3]" 2
642 1 30 GLU H 1 31 GLU H . . 3.100 2.758 2.713 2.805 . 0 0 "[ . 1 . 2 . 3]" 2
643 1 30 GLU H 1 32 LEU H . . 5.600 4.570 4.468 4.708 . 0 0 "[ . 1 . 2 . 3]" 2
644 1 30 GLU H 1 33 LYS H . . 5.100 4.679 4.578 4.809 . 0 0 "[ . 1 . 2 . 3]" 2
645 1 30 GLU HA 1 30 GLU HB2 . . 3.100 2.866 2.797 2.959 . 0 0 "[ . 1 . 2 . 3]" 2
646 1 30 GLU HA 1 31 GLU H . . 4.400 3.597 3.569 3.616 . 0 0 "[ . 1 . 2 . 3]" 2
647 1 30 GLU HA 1 32 LEU H . . 6.000 4.889 4.776 5.028 . 0 0 "[ . 1 . 2 . 3]" 2
648 1 30 GLU HA 1 33 LYS H . . 4.500 3.543 3.440 3.638 . 0 0 "[ . 1 . 2 . 3]" 2
649 1 30 GLU HA 1 33 LYS HB2 . . 3.700 2.933 2.608 3.119 . 0 0 "[ . 1 . 2 . 3]" 2
650 1 30 GLU HA 1 33 LYS HB3 . . 4.000 2.659 2.495 2.800 . 0 0 "[ . 1 . 2 . 3]" 2
651 1 30 GLU HB2 1 30 GLU HG3 . . 3.100 2.342 2.266 3.046 . 0 0 "[ . 1 . 2 . 3]" 2
652 1 30 GLU HB2 1 31 GLU H . . 3.700 3.249 2.981 3.331 . 0 0 "[ . 1 . 2 . 3]" 2
653 1 30 GLU HB3 1 30 GLU HG2 . . 3.100 2.820 2.541 3.042 . 0 0 "[ . 1 . 2 . 3]" 2
654 1 30 GLU HB3 1 31 GLU H . . 3.400 3.029 2.777 3.384 . 0 0 "[ . 1 . 2 . 3]" 2
655 1 30 GLU HG2 1 31 GLU H . . 7.000 4.972 4.902 5.377 . 0 0 "[ . 1 . 2 . 3]" 2
656 1 30 GLU HG3 1 31 GLU H . . 5.200 5.236 5.127 5.283 0.083 15 0 "[ . 1 . 2 . 3]" 2
657 1 31 GLU H 1 31 GLU HB2 . . 3.100 2.086 2.040 2.134 . 0 0 "[ . 1 . 2 . 3]" 2
658 1 31 GLU H 1 31 GLU HB3 . . 3.600 3.379 3.311 3.437 . 0 0 "[ . 1 . 2 . 3]" 2
659 1 31 GLU H 1 31 GLU HG3 . . 3.600 3.265 2.957 3.612 0.012 7 0 "[ . 1 . 2 . 3]" 2
660 1 31 GLU H 1 31 GLU HG2 . . 3.600 3.620 3.225 3.697 0.097 30 0 "[ . 1 . 2 . 3]" 2
661 1 31 GLU H 1 32 LEU H . . 3.000 2.835 2.709 2.884 . 0 0 "[ . 1 . 2 . 3]" 2
662 1 31 GLU H 1 33 LYS H . . 5.000 4.013 3.779 4.148 . 0 0 "[ . 1 . 2 . 3]" 2
663 1 31 GLU HA 1 31 GLU HG3 . . 3.400 3.130 2.972 3.434 0.034 24 0 "[ . 1 . 2 . 3]" 2
664 1 31 GLU HA 1 31 GLU HG2 . . 3.500 2.029 1.963 2.102 . 0 0 "[ . 1 . 2 . 3]" 2
665 1 31 GLU HA 1 32 LEU H . . 3.900 3.642 3.637 3.644 . 0 0 "[ . 1 . 2 . 3]" 2
666 1 31 GLU HA 1 33 LYS H . . 5.600 4.437 4.142 4.612 . 0 0 "[ . 1 . 2 . 3]" 2
667 1 31 GLU HA 1 34 LEU H . . 4.400 3.673 3.558 3.809 . 0 0 "[ . 1 . 2 . 3]" 2
668 1 31 GLU HA 1 34 LEU HB2 . . 4.000 3.621 3.502 3.942 . 0 0 "[ . 1 . 2 . 3]" 2
669 1 31 GLU HA 1 34 LEU HG . . 4.400 3.142 3.051 4.171 . 0 0 "[ . 1 . 2 . 3]" 2
670 1 31 GLU HA 1 34 LEU MD1 . . 7.000 3.506 1.936 3.887 . 0 0 "[ . 1 . 2 . 3]" 2
671 1 31 GLU HA 1 35 LEU H . . 5.300 4.627 4.463 4.790 . 0 0 "[ . 1 . 2 . 3]" 2
672 1 31 GLU HB2 1 31 GLU HG2 . . 2.800 2.949 2.785 3.022 0.222 20 0 "[ . 1 . 2 . 3]" 2
673 1 31 GLU HB2 1 32 LEU H . . 3.300 2.732 2.591 2.877 . 0 0 "[ . 1 . 2 . 3]" 2
674 1 31 GLU HB3 1 32 LEU H . . 4.400 2.840 2.643 3.002 . 0 0 "[ . 1 . 2 . 3]" 2
675 1 31 GLU HB3 1 34 LEU MD1 . . 8.000 5.559 3.988 5.976 . 0 0 "[ . 1 . 2 . 3]" 2
676 1 31 GLU HB3 1 34 LEU MD2 . . 8.000 6.696 6.671 6.715 . 0 0 "[ . 1 . 2 . 3]" 2
677 1 31 GLU HG3 1 34 LEU MD1 . . 8.000 5.456 4.232 5.839 . 0 0 "[ . 1 . 2 . 3]" 2
678 1 31 GLU HG3 1 35 LEU MD1 . . 8.000 7.192 6.760 7.536 . 0 0 "[ . 1 . 2 . 3]" 2
679 1 32 LEU H 1 32 LEU HB3 . . 2.900 2.787 2.744 2.878 . 0 0 "[ . 1 . 2 . 3]" 2
680 1 32 LEU H 1 32 LEU MD1 . . 4.600 3.735 3.539 3.824 . 0 0 "[ . 1 . 2 . 3]" 2
681 1 32 LEU H 1 32 LEU MD2 . . 4.800 3.982 3.917 4.041 . 0 0 "[ . 1 . 2 . 3]" 2
682 1 32 LEU H 1 33 LYS H . . 3.000 2.789 2.706 2.860 . 0 0 "[ . 1 . 2 . 3]" 2
683 1 32 LEU H 1 34 LEU H . . 5.300 4.580 4.521 4.638 . 0 0 "[ . 1 . 2 . 3]" 2
684 1 32 LEU H 1 35 LEU H . . 7.000 4.971 4.883 5.059 . 0 0 "[ . 1 . 2 . 3]" 2
685 1 32 LEU H 1 54 PHE QD . . 9.000 5.610 5.409 5.784 . 0 0 "[ . 1 . 2 . 3]" 2
686 1 32 LEU HA 1 32 LEU MD1 . . 4.500 1.812 1.787 1.860 . 0 0 "[ . 1 . 2 . 3]" 2
687 1 32 LEU HA 1 32 LEU MD2 . . 4.400 3.557 3.453 3.710 . 0 0 "[ . 1 . 2 . 3]" 2
688 1 32 LEU HA 1 33 LYS H . . 4.200 3.605 3.569 3.623 . 0 0 "[ . 1 . 2 . 3]" 2
689 1 32 LEU HA 1 33 LYS HA . . 5.500 4.908 4.867 4.929 . 0 0 "[ . 1 . 2 . 3]" 2
690 1 32 LEU HA 1 34 LEU H . . 6.400 4.475 4.398 4.578 . 0 0 "[ . 1 . 2 . 3]" 2
691 1 32 LEU HA 1 35 LEU H . . 3.600 3.277 3.233 3.348 . 0 0 "[ . 1 . 2 . 3]" 2
692 1 32 LEU HA 1 35 LEU HB2 . . 3.800 2.951 2.824 3.037 . 0 0 "[ . 1 . 2 . 3]" 2
693 1 32 LEU HA 1 35 LEU HB3 . . 3.600 2.773 2.663 2.853 . 0 0 "[ . 1 . 2 . 3]" 2
694 1 32 LEU HA 1 35 LEU MD1 . . 6.300 3.928 3.743 4.127 . 0 0 "[ . 1 . 2 . 3]" 2
695 1 32 LEU HA 1 35 LEU MD2 . . 6.400 3.874 3.627 4.087 . 0 0 "[ . 1 . 2 . 3]" 2
696 1 32 LEU HA 1 36 LEU H . . 4.300 3.552 3.441 3.594 . 0 0 "[ . 1 . 2 . 3]" 2
697 1 32 LEU HB2 1 33 LYS H . . 4.300 3.697 3.570 3.817 . 0 0 "[ . 1 . 2 . 3]" 2
698 1 32 LEU HB3 1 32 LEU HG . . 2.600 2.286 2.252 2.353 . 0 0 "[ . 1 . 2 . 3]" 2
699 1 32 LEU HB3 1 32 LEU MD1 . . 3.500 3.143 3.096 3.200 . 0 0 "[ . 1 . 2 . 3]" 2
700 1 32 LEU HB3 1 32 LEU MD2 . . 3.600 2.622 2.428 2.719 . 0 0 "[ . 1 . 2 . 3]" 2
701 1 32 LEU HB3 1 33 LYS H . . 3.600 2.700 2.557 2.916 . 0 0 "[ . 1 . 2 . 3]" 2
702 1 32 LEU HB3 1 35 LEU H . . 6.500 5.532 5.449 5.655 . 0 0 "[ . 1 . 2 . 3]" 2
703 1 32 LEU HB3 1 36 LEU HG . . 4.900 3.811 3.615 3.986 . 0 0 "[ . 1 . 2 . 3]" 2
704 1 32 LEU HG 1 33 LYS H . . 7.000 4.474 4.314 4.648 . 0 0 "[ . 1 . 2 . 3]" 2
705 1 32 LEU HG 1 35 LEU HB3 . . 5.500 4.241 3.784 4.413 . 0 0 "[ . 1 . 2 . 3]" 2
706 1 32 LEU HG 1 36 LEU H . . 6.500 3.931 3.628 4.076 . 0 0 "[ . 1 . 2 . 3]" 2
707 1 32 LEU HG 1 36 LEU HB2 . . 4.600 4.353 4.220 4.494 . 0 0 "[ . 1 . 2 . 3]" 2
708 1 32 LEU HG 1 36 LEU HB3 . . 4.900 4.867 4.693 4.940 0.040 28 0 "[ . 1 . 2 . 3]" 2
709 1 32 LEU HG 1 36 LEU HG . . 2.900 2.327 2.072 2.440 . 0 0 "[ . 1 . 2 . 3]" 2
710 1 32 LEU HG 1 36 LEU MD1 . . 8.000 1.932 1.879 2.071 . 0 0 "[ . 1 . 2 . 3]" 2
711 1 32 LEU MD1 1 33 LYS H . . 8.000 4.372 4.198 4.587 . 0 0 "[ . 1 . 2 . 3]" 2
712 1 32 LEU MD2 1 33 LYS H . . 8.000 4.874 4.690 5.042 . 0 0 "[ . 1 . 2 . 3]" 2
713 1 33 LYS H 1 33 LYS HA . . 3.100 2.693 2.674 2.740 . 0 0 "[ . 1 . 2 . 3]" 2
714 1 33 LYS H 1 33 LYS HB2 . . 2.900 2.382 2.261 2.415 . 0 0 "[ . 1 . 2 . 3]" 2
715 1 33 LYS H 1 33 LYS HB3 . . 3.000 2.566 2.512 2.718 . 0 0 "[ . 1 . 2 . 3]" 2
716 1 33 LYS H 1 33 LYS HG2 . . 5.000 4.499 4.451 4.548 . 0 0 "[ . 1 . 2 . 3]" 2
717 1 33 LYS H 1 33 LYS HG3 . . 4.300 4.332 4.245 4.353 0.053 3 0 "[ . 1 . 2 . 3]" 2
718 1 33 LYS H 1 33 LYS QD . . 5.600 4.304 4.221 4.375 . 0 0 "[ . 1 . 2 . 3]" 2
719 1 33 LYS H 1 34 LEU H . . 3.100 3.045 2.930 3.100 . 0 0 "[ . 1 . 2 . 3]" 2
720 1 33 LYS H 1 34 LEU HG . . 6.600 4.779 4.619 4.871 . 0 0 "[ . 1 . 2 . 3]" 2
721 1 33 LYS H 1 35 LEU H . . 5.100 4.514 4.452 4.609 . 0 0 "[ . 1 . 2 . 3]" 2
722 1 33 LYS H 1 35 LEU MD2 . . 8.000 6.562 6.482 6.610 . 0 0 "[ . 1 . 2 . 3]" 2
723 1 33 LYS H 1 36 LEU H . . 5.300 4.758 4.720 4.805 . 0 0 "[ . 1 . 2 . 3]" 2
724 1 33 LYS H 1 36 LEU MD2 . . 8.000 5.947 5.816 6.066 . 0 0 "[ . 1 . 2 . 3]" 2
725 1 33 LYS H 1 50 LEU HG . . 7.000 5.102 4.634 5.774 . 0 0 "[ . 1 . 2 . 3]" 2
726 1 33 LYS H 1 50 LEU MD1 . . 7.900 3.698 3.064 4.143 . 0 0 "[ . 1 . 2 . 3]" 2
727 1 33 LYS H 1 50 LEU MD2 . . 7.600 3.846 3.449 4.317 . 0 0 "[ . 1 . 2 . 3]" 2
728 1 33 LYS HA 1 33 LYS HB2 . . 2.800 2.452 2.438 2.520 . 0 0 "[ . 1 . 2 . 3]" 2
729 1 33 LYS HA 1 33 LYS HG2 . . 3.900 3.312 2.785 3.471 . 0 0 "[ . 1 . 2 . 3]" 2
730 1 33 LYS HA 1 33 LYS HG3 . . 3.500 2.393 2.344 2.547 . 0 0 "[ . 1 . 2 . 3]" 2
731 1 33 LYS HA 1 34 LEU H . . 3.900 3.634 3.633 3.637 . 0 0 "[ . 1 . 2 . 3]" 2
732 1 33 LYS HA 1 34 LEU HA . . 5.500 4.802 4.793 4.808 . 0 0 "[ . 1 . 2 . 3]" 2
733 1 33 LYS HA 1 35 LEU H . . 7.000 4.851 4.801 4.940 . 0 0 "[ . 1 . 2 . 3]" 2
734 1 33 LYS HA 1 36 LEU H . . 4.300 3.871 3.816 3.940 . 0 0 "[ . 1 . 2 . 3]" 2
735 1 33 LYS HA 1 36 LEU MD1 . . 6.400 2.793 2.570 2.976 . 0 0 "[ . 1 . 2 . 3]" 2
736 1 33 LYS HA 1 37 GLN H . . 5.200 4.288 4.245 4.345 . 0 0 "[ . 1 . 2 . 3]" 2
737 1 33 LYS HA 1 44 LEU MD1 . . 7.800 4.091 3.648 4.769 . 0 0 "[ . 1 . 2 . 3]" 2
738 1 33 LYS HA 1 50 LEU MD1 . . 6.500 3.133 2.081 4.206 . 0 0 "[ . 1 . 2 . 3]" 2
739 1 33 LYS HA 1 50 LEU MD2 . . 6.700 2.868 1.969 4.169 . 0 0 "[ . 1 . 2 . 3]" 2
740 1 33 LYS HB2 1 33 LYS HG3 . . 3.100 2.645 2.425 2.749 . 0 0 "[ . 1 . 2 . 3]" 2
741 1 33 LYS HB2 1 34 LEU H . . 3.700 3.834 3.743 3.860 0.160 30 0 "[ . 1 . 2 . 3]" 2
742 1 33 LYS HB2 1 50 LEU MD1 . . 6.900 2.600 1.981 2.916 . 0 0 "[ . 1 . 2 . 3]" 2
743 1 33 LYS HB2 1 50 LEU MD2 . . 6.000 2.392 1.979 3.048 . 0 0 "[ . 1 . 2 . 3]" 2
744 1 33 LYS HB3 1 34 LEU H . . 3.300 2.450 2.415 2.480 . 0 0 "[ . 1 . 2 . 3]" 2
745 1 33 LYS HB3 1 50 LEU MD1 . . 7.500 4.037 3.356 4.367 . 0 0 "[ . 1 . 2 . 3]" 2
746 1 33 LYS HB3 1 50 LEU MD2 . . 8.000 3.729 3.313 4.320 . 0 0 "[ . 1 . 2 . 3]" 2
747 1 33 LYS HG2 1 34 LEU H . . 7.000 3.580 3.464 3.865 . 0 0 "[ . 1 . 2 . 3]" 2
748 1 33 LYS HG2 1 34 LEU HA . . 7.000 3.736 3.583 3.962 . 0 0 "[ . 1 . 2 . 3]" 2
749 1 33 LYS HG2 1 34 LEU HG . . 4.600 4.630 4.387 4.660 0.060 17 0 "[ . 1 . 2 . 3]" 2
750 1 33 LYS HG2 1 34 LEU MD1 . . 8.000 5.483 5.316 5.615 . 0 0 "[ . 1 . 2 . 3]" 2
751 1 33 LYS HG2 1 34 LEU MD2 . . 7.900 2.823 2.486 5.188 . 0 0 "[ . 1 . 2 . 3]" 2
752 1 33 LYS HG2 1 50 LEU MD1 . . 6.100 4.474 3.292 5.029 . 0 0 "[ . 1 . 2 . 3]" 2
753 1 33 LYS HG2 1 50 LEU MD2 . . 5.900 3.868 3.108 4.538 . 0 0 "[ . 1 . 2 . 3]" 2
754 1 33 LYS HG3 1 44 LEU MD1 . . 8.000 3.722 3.320 4.257 . 0 0 "[ . 1 . 2 . 3]" 2
755 1 33 LYS HG3 1 44 LEU MD2 . . 8.000 3.449 2.970 3.828 . 0 0 "[ . 1 . 2 . 3]" 2
756 1 33 LYS HG3 1 50 LEU MD1 . . 8.000 3.448 1.975 4.381 . 0 0 "[ . 1 . 2 . 3]" 2
757 1 33 LYS HG3 1 50 LEU MD2 . . 6.100 2.675 1.766 3.864 . 0 0 "[ . 1 . 2 . 3]" 2
758 1 33 LYS QD 1 34 LEU H . . 7.500 4.759 4.327 5.062 . 0 0 "[ . 1 . 2 . 3]" 2
759 1 33 LYS QE 1 50 LEU MD1 . . 9.000 4.223 3.030 5.285 . 0 0 "[ . 1 . 2 . 3]" 2
760 1 33 LYS QE 1 50 LEU MD2 . . 9.000 3.521 1.762 4.585 . 0 0 "[ . 1 . 2 . 3]" 2
761 1 34 LEU H 1 34 LEU HA . . 3.100 2.754 2.749 2.757 . 0 0 "[ . 1 . 2 . 3]" 2
762 1 34 LEU H 1 34 LEU HB2 . . 3.300 2.524 2.502 2.624 . 0 0 "[ . 1 . 2 . 3]" 2
763 1 34 LEU H 1 34 LEU HB3 . . 3.800 3.534 3.529 3.535 . 0 0 "[ . 1 . 2 . 3]" 2
764 1 34 LEU H 1 34 LEU HG . . 3.200 2.228 2.075 2.325 . 0 0 "[ . 1 . 2 . 3]" 2
765 1 34 LEU H 1 34 LEU MD1 . . 5.000 3.742 2.544 3.838 . 0 0 "[ . 1 . 2 . 3]" 2
766 1 34 LEU H 1 34 LEU MD2 . . 4.900 2.577 2.309 3.693 . 0 0 "[ . 1 . 2 . 3]" 2
767 1 34 LEU H 1 35 LEU H . . 3.100 2.920 2.893 2.944 . 0 0 "[ . 1 . 2 . 3]" 2
768 1 34 LEU H 1 36 LEU H . . 6.600 4.614 4.567 4.655 . 0 0 "[ . 1 . 2 . 3]" 2
769 1 34 LEU HA 1 34 LEU HG . . 3.500 3.368 2.683 3.479 . 0 0 "[ . 1 . 2 . 3]" 2
770 1 34 LEU HA 1 34 LEU MD1 . . 4.400 3.702 3.596 3.860 . 0 0 "[ . 1 . 2 . 3]" 2
771 1 34 LEU HA 1 34 LEU MD2 . . 4.700 2.023 1.934 2.957 . 0 0 "[ . 1 . 2 . 3]" 2
772 1 34 LEU HA 1 35 LEU H . . 4.000 3.636 3.634 3.639 . 0 0 "[ . 1 . 2 . 3]" 2
773 1 34 LEU HA 1 36 LEU H . . 7.000 5.039 4.991 5.068 . 0 0 "[ . 1 . 2 . 3]" 2
774 1 34 LEU HA 1 37 GLN H . . 4.100 3.430 3.383 3.458 . 0 0 "[ . 1 . 2 . 3]" 2
775 1 34 LEU HA 1 37 GLN HB2 . . 4.100 2.198 2.069 2.285 . 0 0 "[ . 1 . 2 . 3]" 2
776 1 34 LEU HA 1 37 GLN HB3 . . 3.800 3.124 3.022 3.240 . 0 0 "[ . 1 . 2 . 3]" 2
777 1 34 LEU HB2 1 35 LEU H . . 3.300 2.376 2.296 2.418 . 0 0 "[ . 1 . 2 . 3]" 2
778 1 34 LEU HB2 1 35 LEU HA . . 4.400 4.230 4.118 4.256 . 0 0 "[ . 1 . 2 . 3]" 2
779 1 34 LEU HB3 1 35 LEU H . . 3.400 3.489 3.459 3.531 0.131 15 0 "[ . 1 . 2 . 3]" 2
780 1 34 LEU HB3 1 35 LEU HA . . 5.000 4.419 4.399 4.518 . 0 0 "[ . 1 . 2 . 3]" 2
781 1 34 LEU HG 1 35 LEU H . . 4.200 4.220 4.171 4.357 0.157 15 0 "[ . 1 . 2 . 3]" 2
782 1 34 LEU MD1 1 35 LEU H . . 8.000 4.500 3.465 4.610 . 0 0 "[ . 1 . 2 . 3]" 2
783 1 34 LEU MD1 1 37 GLN HE21 . . 8.000 5.492 4.407 6.574 . 0 0 "[ . 1 . 2 . 3]" 2
784 1 34 LEU MD1 1 37 GLN HE22 . . 8.000 5.089 4.298 5.765 . 0 0 "[ . 1 . 2 . 3]" 2
785 1 34 LEU MD2 1 35 LEU H . . 8.000 4.458 4.346 4.780 . 0 0 "[ . 1 . 2 . 3]" 2
786 1 34 LEU MD2 1 37 GLN HE21 . . 8.000 3.118 2.183 4.537 . 0 0 "[ . 1 . 2 . 3]" 2
787 1 34 LEU MD2 1 37 GLN HE22 . . 8.000 2.907 1.959 3.605 . 0 0 "[ . 1 . 2 . 3]" 2
788 1 35 LEU H 1 35 LEU HB2 . . 2.900 2.125 2.101 2.158 . 0 0 "[ . 1 . 2 . 3]" 2
789 1 35 LEU H 1 35 LEU HB3 . . 2.800 2.802 2.753 2.835 0.035 28 0 "[ . 1 . 2 . 3]" 2
790 1 35 LEU H 1 35 LEU HG . . 4.300 4.260 4.215 4.313 0.013 8 0 "[ . 1 . 2 . 3]" 2
791 1 35 LEU H 1 35 LEU MD1 . . 5.100 3.740 3.638 3.854 . 0 0 "[ . 1 . 2 . 3]" 2
792 1 35 LEU H 1 35 LEU MD2 . . 5.400 4.347 4.314 4.366 . 0 0 "[ . 1 . 2 . 3]" 2
793 1 35 LEU H 1 36 LEU H . . 3.500 3.063 3.026 3.102 . 0 0 "[ . 1 . 2 . 3]" 2
794 1 35 LEU H 1 37 GLN H . . 5.700 3.766 3.724 3.797 . 0 0 "[ . 1 . 2 . 3]" 2
795 1 35 LEU HA 1 35 LEU HB2 . . 3.000 2.601 2.576 2.620 . 0 0 "[ . 1 . 2 . 3]" 2
796 1 35 LEU HA 1 35 LEU HG . . 2.900 2.267 2.231 2.336 . 0 0 "[ . 1 . 2 . 3]" 2
797 1 35 LEU HA 1 35 LEU MD2 . . 4.700 3.523 3.338 3.689 . 0 0 "[ . 1 . 2 . 3]" 2
798 1 35 LEU HA 1 36 LEU H . . 4.400 3.639 3.638 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
799 1 35 LEU HA 1 38 THR HB . . 3.700 3.730 3.696 3.775 0.075 29 0 "[ . 1 . 2 . 3]" 2
800 1 35 LEU HA 1 39 GLU H . . 4.200 2.965 2.873 2.999 . 0 0 "[ . 1 . 2 . 3]" 2
801 1 35 LEU HA 1 39 GLU HB3 . . 3.400 3.664 3.565 3.716 0.316 24 0 "[ . 1 . 2 . 3]" 2
802 1 35 LEU HA 1 39 GLU HB2 . . 3.600 3.408 3.100 3.578 . 0 0 "[ . 1 . 2 . 3]" 2
803 1 35 LEU HB2 1 36 LEU H . . 3.400 3.477 3.445 3.513 0.113 19 0 "[ . 1 . 2 . 3]" 2
804 1 35 LEU HB2 1 37 GLN H . . 6.400 5.045 4.998 5.073 . 0 0 "[ . 1 . 2 . 3]" 2
805 1 35 LEU HB3 1 36 LEU H . . 2.900 2.184 2.151 2.226 . 0 0 "[ . 1 . 2 . 3]" 2
806 1 35 LEU MD1 1 36 LEU H . . 8.000 4.672 4.589 4.738 . 0 0 "[ . 1 . 2 . 3]" 2
807 1 35 LEU MD1 1 70 PHE QD . . 10.000 5.037 4.466 5.622 . 0 0 "[ . 1 . 2 . 3]" 2
808 1 35 LEU MD1 1 70 PHE QE . . 8.100 3.977 2.899 5.109 . 0 0 "[ . 1 . 2 . 3]" 2
809 1 35 LEU MD2 1 39 GLU H . . 8.000 4.064 3.701 4.504 . 0 0 "[ . 1 . 2 . 3]" 2
810 1 35 LEU MD2 1 39 GLU HB3 . . 6.800 2.377 1.927 2.975 . 0 0 "[ . 1 . 2 . 3]" 2
811 1 35 LEU MD2 1 39 GLU HB2 . . 6.700 2.390 2.017 2.865 . 0 0 "[ . 1 . 2 . 3]" 2
812 1 35 LEU MD2 1 40 PHE QE . . 10.000 5.185 4.365 6.364 . 0 0 "[ . 1 . 2 . 3]" 2
813 1 35 LEU MD2 1 70 PHE QD . . 9.400 3.854 3.417 4.080 . 0 0 "[ . 1 . 2 . 3]" 2
814 1 35 LEU MD2 1 70 PHE QE . . 10.000 2.251 1.837 3.047 . 0 0 "[ . 1 . 2 . 3]" 2
815 1 36 LEU H 1 36 LEU HA . . 3.100 2.726 2.717 2.746 . 0 0 "[ . 1 . 2 . 3]" 2
816 1 36 LEU H 1 36 LEU HB2 . . 2.800 2.588 2.533 2.615 . 0 0 "[ . 1 . 2 . 3]" 2
817 1 36 LEU H 1 36 LEU HB3 . . 3.800 3.534 3.532 3.536 . 0 0 "[ . 1 . 2 . 3]" 2
818 1 36 LEU H 1 36 LEU HG . . 3.100 1.924 1.876 2.034 . 0 0 "[ . 1 . 2 . 3]" 2
819 1 36 LEU H 1 36 LEU MD1 . . 4.300 3.350 3.264 3.504 . 0 0 "[ . 1 . 2 . 3]" 2
820 1 36 LEU H 1 36 LEU MD2 . . 3.800 3.178 3.071 3.262 . 0 0 "[ . 1 . 2 . 3]" 2
821 1 36 LEU H 1 37 GLN H . . 3.000 2.782 2.741 2.801 . 0 0 "[ . 1 . 2 . 3]" 2
822 1 36 LEU H 1 38 THR H . . 6.600 4.834 4.577 4.966 . 0 0 "[ . 1 . 2 . 3]" 2
823 1 36 LEU H 1 38 THR MG . . 8.000 6.577 6.559 6.593 . 0 0 "[ . 1 . 2 . 3]" 2
824 1 36 LEU H 1 39 GLU HB3 . . 5.600 3.953 3.897 4.022 . 0 0 "[ . 1 . 2 . 3]" 2
825 1 36 LEU H 1 44 LEU MD1 . . 8.000 4.714 4.232 5.790 . 0 0 "[ . 1 . 2 . 3]" 2
826 1 36 LEU HA 1 36 LEU HG . . 3.700 3.052 3.008 3.112 . 0 0 "[ . 1 . 2 . 3]" 2
827 1 36 LEU HA 1 36 LEU MD2 . . 3.300 2.192 1.988 2.360 . 0 0 "[ . 1 . 2 . 3]" 2
828 1 36 LEU HA 1 37 GLN H . . 3.900 3.498 3.482 3.505 . 0 0 "[ . 1 . 2 . 3]" 2
829 1 36 LEU HA 1 39 GLU H . . 5.400 4.167 4.062 4.315 . 0 0 "[ . 1 . 2 . 3]" 2
830 1 36 LEU HA 1 40 PHE H . . 3.300 2.463 2.240 2.627 . 0 0 "[ . 1 . 2 . 3]" 2
831 1 36 LEU HA 1 40 PHE HB2 . . 3.900 3.210 2.965 3.455 . 0 0 "[ . 1 . 2 . 3]" 2
832 1 36 LEU HA 1 40 PHE HB3 . . 5.400 4.597 4.214 4.793 . 0 0 "[ . 1 . 2 . 3]" 2
833 1 36 LEU HA 1 40 PHE QD . . 7.700 4.500 4.106 5.224 . 0 0 "[ . 1 . 2 . 3]" 2
834 1 36 LEU HA 1 41 PRO HA . . 5.200 4.906 4.566 5.193 . 0 0 "[ . 1 . 2 . 3]" 2
835 1 36 LEU HB2 1 36 LEU HG . . 2.700 2.537 2.476 2.574 . 0 0 "[ . 1 . 2 . 3]" 2
836 1 36 LEU HB2 1 36 LEU MD1 . . 3.500 2.307 2.245 2.380 . 0 0 "[ . 1 . 2 . 3]" 2
837 1 36 LEU HB2 1 37 GLN H . . 3.300 3.178 3.152 3.231 . 0 0 "[ . 1 . 2 . 3]" 2
838 1 36 LEU HB2 1 41 PRO HA . . 7.000 5.306 5.005 5.590 . 0 0 "[ . 1 . 2 . 3]" 2
839 1 36 LEU HB3 1 36 LEU MD1 . . 3.500 2.442 2.353 2.494 . 0 0 "[ . 1 . 2 . 3]" 2
840 1 36 LEU HB3 1 37 GLN H . . 4.100 4.157 4.137 4.195 0.095 28 0 "[ . 1 . 2 . 3]" 2
841 1 36 LEU HB3 1 41 PRO HA . . 7.000 4.568 4.187 4.918 . 0 0 "[ . 1 . 2 . 3]" 2
842 1 36 LEU HB3 1 44 LEU H . . 7.000 4.545 4.213 4.778 . 0 0 "[ . 1 . 2 . 3]" 2
843 1 36 LEU HB3 1 44 LEU HB3 . . 7.000 5.371 4.936 6.683 . 0 0 "[ . 1 . 2 . 3]" 2
844 1 36 LEU HG 1 73 LEU MD2 . . 8.000 3.974 3.781 4.201 . 0 0 "[ . 1 . 2 . 3]" 2
845 1 36 LEU MD1 1 37 GLN H . . 8.000 4.819 4.741 4.964 . 0 0 "[ . 1 . 2 . 3]" 2
846 1 36 LEU MD1 1 40 PHE QD . . 10.000 6.329 5.748 7.133 . 0 0 "[ . 1 . 2 . 3]" 2
847 1 36 LEU MD1 1 44 LEU HB2 . . 8.000 5.962 5.647 6.488 . 0 0 "[ . 1 . 2 . 3]" 2
848 1 36 LEU MD1 1 44 LEU HB3 . . 8.000 5.569 5.140 6.494 . 0 0 "[ . 1 . 2 . 3]" 2
849 1 36 LEU MD2 1 37 GLN H . . 8.000 4.839 4.740 4.896 . 0 0 "[ . 1 . 2 . 3]" 2
850 1 36 LEU MD2 1 40 PHE H . . 7.500 3.972 3.682 4.198 . 0 0 "[ . 1 . 2 . 3]" 2
851 1 36 LEU MD2 1 40 PHE HB2 . . 5.400 3.223 2.719 3.685 . 0 0 "[ . 1 . 2 . 3]" 2
852 1 36 LEU MD2 1 40 PHE HB3 . . 6.900 4.323 3.917 4.612 . 0 0 "[ . 1 . 2 . 3]" 2
853 1 36 LEU MD2 1 40 PHE QD . . 8.000 3.888 3.224 5.074 . 0 0 "[ . 1 . 2 . 3]" 2
854 1 36 LEU MD2 1 73 LEU MD1 . . 5.600 3.723 3.601 3.786 . 0 0 "[ . 1 . 2 . 3]" 2
855 1 36 LEU MD2 1 73 LEU MD2 . . 5.500 1.793 1.724 1.991 . 0 0 "[ . 1 . 2 . 3]" 2
856 1 37 GLN H 1 37 GLN HB2 . . 3.200 2.099 2.082 2.109 . 0 0 "[ . 1 . 2 . 3]" 2
857 1 37 GLN H 1 37 GLN HB3 . . 4.000 2.993 2.973 3.025 . 0 0 "[ . 1 . 2 . 3]" 2
858 1 37 GLN H 1 37 GLN HG2 . . 5.100 4.427 4.282 4.609 . 0 0 "[ . 1 . 2 . 3]" 2
859 1 37 GLN H 1 37 GLN HG3 . . 3.900 3.953 3.925 3.988 0.088 28 0 "[ . 1 . 2 . 3]" 2
860 1 37 GLN H 1 37 GLN HE21 . . 6.200 4.943 4.151 6.210 0.010 16 0 "[ . 1 . 2 . 3]" 2
861 1 37 GLN H 1 38 THR H . . 3.200 2.752 2.610 2.819 . 0 0 "[ . 1 . 2 . 3]" 2
862 1 37 GLN H 1 39 GLU H . . 4.500 3.985 3.932 4.096 . 0 0 "[ . 1 . 2 . 3]" 2
863 1 37 GLN H 1 44 LEU MD1 . . 6.800 3.364 2.913 4.478 . 0 0 "[ . 1 . 2 . 3]" 2
864 1 37 GLN HA 1 37 GLN HG2 . . 3.800 2.514 2.200 3.071 . 0 0 "[ . 1 . 2 . 3]" 2
865 1 37 GLN HA 1 38 THR H . . 3.900 3.640 3.620 3.646 . 0 0 "[ . 1 . 2 . 3]" 2
866 1 37 GLN HA 1 41 PRO HA . . 3.100 3.087 3.019 3.172 0.072 3 0 "[ . 1 . 2 . 3]" 2
867 1 37 GLN HA 1 41 PRO HB2 . . 6.200 4.564 4.393 4.693 . 0 0 "[ . 1 . 2 . 3]" 2
868 1 37 GLN HA 1 41 PRO HB3 . . 6.800 3.012 2.804 3.173 . 0 0 "[ . 1 . 2 . 3]" 2
869 1 37 GLN HA 1 44 LEU MD1 . . 6.500 2.024 1.802 2.772 . 0 0 "[ . 1 . 2 . 3]" 2
870 1 37 GLN HB2 1 37 GLN HG2 . . 3.100 3.035 2.985 3.056 . 0 0 "[ . 1 . 2 . 3]" 2
871 1 37 GLN HB2 1 38 THR H . . 3.500 3.242 3.139 3.390 . 0 0 "[ . 1 . 2 . 3]" 2
872 1 37 GLN HB3 1 38 THR H . . 3.700 2.370 2.207 2.704 . 0 0 "[ . 1 . 2 . 3]" 2
873 1 37 GLN HG2 1 38 THR H . . 7.000 4.434 4.285 4.731 . 0 0 "[ . 1 . 2 . 3]" 2
874 1 37 GLN HG2 1 41 PRO HA . . 5.900 4.955 4.589 5.798 . 0 0 "[ . 1 . 2 . 3]" 2
875 1 37 GLN HG2 1 44 LEU MD1 . . 8.000 3.474 2.901 3.853 . 0 0 "[ . 1 . 2 . 3]" 2
876 1 37 GLN HE22 1 37 GLN HG3 . . 4.300 3.598 3.451 4.156 . 0 0 "[ . 1 . 2 . 3]" 2
877 1 37 GLN HG3 1 38 THR H . . 7.000 4.945 4.738 5.176 . 0 0 "[ . 1 . 2 . 3]" 2
878 1 37 GLN HG3 1 41 PRO HA . . 7.000 5.107 4.470 5.643 . 0 0 "[ . 1 . 2 . 3]" 2
879 1 37 GLN HG3 1 44 LEU MD1 . . 7.500 2.773 2.362 3.158 . 0 0 "[ . 1 . 2 . 3]" 2
880 1 37 GLN HE21 1 44 LEU MD1 . . 8.000 4.449 3.863 5.147 . 0 0 "[ . 1 . 2 . 3]" 2
881 1 37 GLN HE21 1 44 LEU MD2 . . 8.000 5.859 5.255 6.511 . 0 0 "[ . 1 . 2 . 3]" 2
882 1 37 GLN HE22 1 44 LEU MD1 . . 8.000 5.577 5.180 6.027 . 0 0 "[ . 1 . 2 . 3]" 2
883 1 38 THR H 1 38 THR HB . . 3.300 2.070 2.024 2.173 . 0 0 "[ . 1 . 2 . 3]" 2
884 1 38 THR H 1 38 THR MG . . 4.700 3.431 3.420 3.448 . 0 0 "[ . 1 . 2 . 3]" 2
885 1 38 THR H 1 39 GLU H . . 3.100 2.426 2.272 2.515 . 0 0 "[ . 1 . 2 . 3]" 2
886 1 38 THR H 1 39 GLU HB3 . . 6.400 4.389 4.134 4.613 . 0 0 "[ . 1 . 2 . 3]" 2
887 1 38 THR H 1 39 GLU HG2 . . 7.000 6.672 6.335 6.885 . 0 0 "[ . 1 . 2 . 3]" 2
888 1 38 THR H 1 40 PHE H . . 4.400 4.223 3.915 4.390 . 0 0 "[ . 1 . 2 . 3]" 2
889 1 38 THR HA 1 38 THR HB . . 3.100 2.977 2.973 2.985 . 0 0 "[ . 1 . 2 . 3]" 2
890 1 38 THR HA 1 38 THR MG . . 3.600 2.760 2.727 2.795 . 0 0 "[ . 1 . 2 . 3]" 2
891 1 38 THR HA 1 39 GLU H . . 4.000 3.621 3.618 3.626 . 0 0 "[ . 1 . 2 . 3]" 2
892 1 38 THR HB 1 39 GLU H . . 3.700 2.882 2.821 2.915 . 0 0 "[ . 1 . 2 . 3]" 2
893 1 38 THR MG 1 39 GLU H . . 6.500 2.593 2.508 2.714 . 0 0 "[ . 1 . 2 . 3]" 2
894 1 39 GLU H 1 39 GLU HB3 . . 3.900 2.461 2.397 2.590 . 0 0 "[ . 1 . 2 . 3]" 2
895 1 39 GLU H 1 39 GLU HB2 . . 3.300 2.503 2.382 2.570 . 0 0 "[ . 1 . 2 . 3]" 2
896 1 39 GLU H 1 39 GLU HG2 . . 4.100 4.525 4.352 4.608 0.508 29 1 "[ . 1 . 2 . +3]" 2
897 1 39 GLU H 1 39 GLU HG3 . . 5.300 4.392 4.350 4.535 . 0 0 "[ . 1 . 2 . 3]" 2
898 1 39 GLU H 1 40 PHE H . . 3.100 3.061 3.023 3.107 0.007 29 0 "[ . 1 . 2 . 3]" 2
899 1 39 GLU H 1 40 PHE HB2 . . 5.500 5.508 5.339 5.569 0.069 27 0 "[ . 1 . 2 . 3]" 2
900 1 39 GLU H 1 40 PHE QD . . 9.000 5.728 5.399 5.883 . 0 0 "[ . 1 . 2 . 3]" 2
901 1 39 GLU HA 1 39 GLU HB3 . . 3.000 3.044 3.037 3.051 0.051 29 0 "[ . 1 . 2 . 3]" 2
902 1 39 GLU HA 1 39 GLU HB2 . . 2.800 2.424 2.393 2.482 . 0 0 "[ . 1 . 2 . 3]" 2
903 1 39 GLU HA 1 40 PHE H . . 4.200 3.643 3.640 3.646 . 0 0 "[ . 1 . 2 . 3]" 2
904 1 39 GLU HA 1 41 PRO HD3 . . 7.000 4.682 4.624 4.737 . 0 0 "[ . 1 . 2 . 3]" 2
905 1 39 GLU HB3 1 40 PHE H . . 5.000 2.344 2.213 2.444 . 0 0 "[ . 1 . 2 . 3]" 2
906 1 39 GLU HB3 1 40 PHE QD . . 7.800 3.990 3.677 4.318 . 0 0 "[ . 1 . 2 . 3]" 2
907 1 39 GLU HB2 1 40 PHE H . . 4.200 3.801 3.685 3.875 . 0 0 "[ . 1 . 2 . 3]" 2
908 1 39 GLU HB2 1 40 PHE QD . . 7.300 4.819 4.490 5.100 . 0 0 "[ . 1 . 2 . 3]" 2
909 1 40 PHE H 1 40 PHE HB2 . . 3.600 2.675 2.621 2.715 . 0 0 "[ . 1 . 2 . 3]" 2
910 1 40 PHE H 1 40 PHE HB3 . . 4.100 3.724 3.489 3.795 . 0 0 "[ . 1 . 2 . 3]" 2
911 1 40 PHE H 1 40 PHE QE . . 7.300 5.654 5.483 5.988 . 0 0 "[ . 1 . 2 . 3]" 2
912 1 40 PHE H 1 41 PRO HA . . 4.500 4.300 4.292 4.310 . 0 0 "[ . 1 . 2 . 3]" 2
913 1 40 PHE H 1 41 PRO HD3 . . 4.600 3.264 3.238 3.304 . 0 0 "[ . 1 . 2 . 3]" 2
914 1 40 PHE H 1 41 PRO HD2 . . 5.900 4.368 4.350 4.396 . 0 0 "[ . 1 . 2 . 3]" 2
915 1 40 PHE HA 1 40 PHE QD . . 4.400 2.368 2.044 3.043 . 0 0 "[ . 1 . 2 . 3]" 2
916 1 40 PHE HA 1 41 PRO HD3 . . 4.000 2.316 2.297 2.328 . 0 0 "[ . 1 . 2 . 3]" 2
917 1 40 PHE HA 1 41 PRO HD2 . . 3.200 2.207 2.203 2.211 . 0 0 "[ . 1 . 2 . 3]" 2
918 1 40 PHE HA 1 42 SER H . . 5.400 3.178 3.093 3.463 . 0 0 "[ . 1 . 2 . 3]" 2
919 1 40 PHE HA 1 43 LEU H . . 7.000 4.210 4.022 4.559 . 0 0 "[ . 1 . 2 . 3]" 2
920 1 40 PHE HB2 1 41 PRO HD3 . . 4.600 4.826 4.805 4.835 0.235 8 0 "[ . 1 . 2 . 3]" 2
921 1 40 PHE HB2 1 41 PRO HD2 . . 7.000 5.037 5.012 5.070 . 0 0 "[ . 1 . 2 . 3]" 2
922 1 40 PHE HB2 1 43 LEU H . . 6.800 3.950 3.684 4.407 . 0 0 "[ . 1 . 2 . 3]" 2
923 1 40 PHE HB2 1 43 LEU QD . . 9.400 3.864 2.685 4.543 . 0 0 "[ . 1 . 2 . 3]" 2
924 1 40 PHE HB3 1 41 PRO HD3 . . 4.600 4.695 4.672 4.746 0.146 29 0 "[ . 1 . 2 . 3]" 2
925 1 40 PHE HB3 1 41 PRO HD2 . . 5.300 4.291 4.222 4.470 . 0 0 "[ . 1 . 2 . 3]" 2
926 1 40 PHE HB3 1 43 LEU H . . 5.100 2.700 2.456 3.327 . 0 0 "[ . 1 . 2 . 3]" 2
927 1 40 PHE HB3 1 43 LEU HB2 . . 6.900 2.333 2.010 3.486 . 0 0 "[ . 1 . 2 . 3]" 2
928 1 40 PHE HB3 1 43 LEU HB3 . . 7.000 3.984 3.648 5.204 . 0 0 "[ . 1 . 2 . 3]" 2
929 1 40 PHE HB3 1 43 LEU HG . . 6.100 3.767 3.337 4.458 . 0 0 "[ . 1 . 2 . 3]" 2
930 1 40 PHE HB3 1 43 LEU QD . . 9.400 3.206 2.506 3.549 . 0 0 "[ . 1 . 2 . 3]" 2
931 1 40 PHE HB3 1 77 ILE HG12 . . 5.600 3.465 2.721 4.321 . 0 0 "[ . 1 . 2 . 3]" 2
932 1 40 PHE QD 1 41 PRO HD2 . . 9.000 3.773 3.512 4.513 . 0 0 "[ . 1 . 2 . 3]" 2
933 1 40 PHE QD 1 43 LEU HG . . 9.000 4.506 3.911 5.384 . 0 0 "[ . 1 . 2 . 3]" 2
934 1 40 PHE QD 1 43 LEU QD . . 11.400 3.823 2.817 4.469 . 0 0 "[ . 1 . 2 . 3]" 2
935 1 40 PHE QD 1 70 PHE HZ . . 7.900 4.577 3.529 5.866 . 0 0 "[ . 1 . 2 . 3]" 2
936 1 40 PHE QD 1 73 LEU MD2 . . 10.000 4.493 3.724 5.786 . 0 0 "[ . 1 . 2 . 3]" 2
937 1 40 PHE QD 1 77 ILE MG . . 9.100 3.021 2.640 3.339 . 0 0 "[ . 1 . 2 . 3]" 2
938 1 40 PHE QD 1 77 ILE HG12 . . 8.100 3.046 2.137 3.746 . 0 0 "[ . 1 . 2 . 3]" 2
939 1 40 PHE QE 1 77 ILE MG . . 9.800 2.306 1.911 2.659 . 0 0 "[ . 1 . 2 . 3]" 2
940 1 40 PHE QE 1 77 ILE HG12 . . 8.200 3.805 2.581 4.707 . 0 0 "[ . 1 . 2 . 3]" 2
941 1 40 PHE HZ 1 77 ILE MD . . 8.000 4.256 3.424 5.860 . 0 0 "[ . 1 . 2 . 3]" 2
942 1 41 PRO HA 1 41 PRO HD3 . . 4.200 3.791 3.789 3.791 . 0 0 "[ . 1 . 2 . 3]" 2
943 1 41 PRO HA 1 42 SER H . . 4.000 3.319 3.230 3.477 . 0 0 "[ . 1 . 2 . 3]" 2
944 1 41 PRO HA 1 42 SER HA . . 4.700 4.573 4.480 4.708 0.008 10 0 "[ . 1 . 2 . 3]" 2
945 1 41 PRO HA 1 43 LEU H . . 5.000 3.898 3.385 4.118 . 0 0 "[ . 1 . 2 . 3]" 2
946 1 41 PRO HA 1 44 LEU H . . 4.600 3.322 3.132 3.550 . 0 0 "[ . 1 . 2 . 3]" 2
947 1 41 PRO HA 1 44 LEU HB2 . . 7.000 3.216 2.877 4.257 . 0 0 "[ . 1 . 2 . 3]" 2
948 1 41 PRO HA 1 44 LEU HB3 . . 7.000 4.679 4.349 5.745 . 0 0 "[ . 1 . 2 . 3]" 2
949 1 41 PRO HA 1 44 LEU HG . . 4.100 3.013 2.365 3.818 . 0 0 "[ . 1 . 2 . 3]" 2
950 1 41 PRO HA 1 44 LEU MD1 . . 8.000 2.189 1.862 2.665 . 0 0 "[ . 1 . 2 . 3]" 2
951 1 41 PRO HB2 1 42 SER H . . 5.900 3.846 3.382 4.048 . 0 0 "[ . 1 . 2 . 3]" 2
952 1 41 PRO HB3 1 41 PRO HD3 . . 4.400 3.534 3.533 3.535 . 0 0 "[ . 1 . 2 . 3]" 2
953 1 41 PRO HB3 1 41 PRO HD2 . . 4.300 4.038 4.037 4.039 . 0 0 "[ . 1 . 2 . 3]" 2
954 1 41 PRO HB3 1 42 SER H . . 5.100 4.516 4.267 4.621 . 0 0 "[ . 1 . 2 . 3]" 2
955 1 41 PRO QG 1 42 SER H . . 6.400 3.458 2.872 3.736 . 0 0 "[ . 1 . 2 . 3]" 2
956 1 41 PRO QG 1 42 SER HB2 . . 8.000 4.784 4.057 6.054 . 0 0 "[ . 1 . 2 . 3]" 2
957 1 41 PRO HD3 1 42 SER H . . 6.700 3.761 3.658 3.846 . 0 0 "[ . 1 . 2 . 3]" 2
958 1 41 PRO HD2 1 42 SER H . . 5.800 2.546 2.254 2.745 . 0 0 "[ . 1 . 2 . 3]" 2
959 1 42 SER H 1 42 SER HB2 . . 3.700 2.529 2.028 3.593 . 0 0 "[ . 1 . 2 . 3]" 2
960 1 42 SER H 1 42 SER HB3 . . 3.400 2.980 2.652 3.414 0.014 26 0 "[ . 1 . 2 . 3]" 2
961 1 42 SER H 1 43 LEU H . . 3.400 2.391 2.168 2.701 . 0 0 "[ . 1 . 2 . 3]" 2
962 1 42 SER H 1 43 LEU HB2 . . 7.000 4.132 3.901 4.461 . 0 0 "[ . 1 . 2 . 3]" 2
963 1 42 SER H 1 44 LEU H . . 5.300 3.816 3.604 4.290 . 0 0 "[ . 1 . 2 . 3]" 2
964 1 42 SER HA 1 43 LEU H . . 3.900 3.550 3.446 3.583 . 0 0 "[ . 1 . 2 . 3]" 2
965 1 42 SER HA 1 44 LEU H . . 4.700 3.731 3.639 3.856 . 0 0 "[ . 1 . 2 . 3]" 2
966 1 42 SER HA 1 44 LEU HB2 . . 7.000 4.646 4.543 4.863 . 0 0 "[ . 1 . 2 . 3]" 2
967 1 42 SER HA 1 44 LEU HB3 . . 7.000 6.235 6.146 6.414 . 0 0 "[ . 1 . 2 . 3]" 2
968 1 42 SER HA 1 45 LYS H . . 6.000 3.249 3.157 3.385 . 0 0 "[ . 1 . 2 . 3]" 2
969 1 42 SER HA 1 45 LYS HB3 . . 5.900 3.744 2.825 4.913 . 0 0 "[ . 1 . 2 . 3]" 2
970 1 42 SER HA 1 45 LYS HG2 . . 7.000 3.596 2.426 4.700 . 0 0 "[ . 1 . 2 . 3]" 2
971 1 42 SER HA 1 45 LYS HG3 . . 7.000 3.562 2.355 5.780 . 0 0 "[ . 1 . 2 . 3]" 2
972 1 42 SER HA 1 45 LYS QD . . 8.000 4.376 2.838 5.363 . 0 0 "[ . 1 . 2 . 3]" 2
973 1 42 SER HA 1 45 LYS QE . . 8.000 4.884 2.220 5.696 . 0 0 "[ . 1 . 2 . 3]" 2
974 1 42 SER HB2 1 43 LEU H . . 3.900 3.621 3.079 3.894 . 0 0 "[ . 1 . 2 . 3]" 2
975 1 42 SER HB2 1 45 LYS H . . 7.000 5.405 4.667 5.685 . 0 0 "[ . 1 . 2 . 3]" 2
976 1 42 SER HB2 1 45 LYS QD . . 8.000 6.047 4.509 7.170 . 0 0 "[ . 1 . 2 . 3]" 2
977 1 42 SER HB3 1 43 LEU H . . 4.700 3.402 2.889 4.506 . 0 0 "[ . 1 . 2 . 3]" 2
978 1 42 SER HB3 1 45 LYS H . . 5.500 5.130 4.824 5.505 0.005 7 0 "[ . 1 . 2 . 3]" 2
979 1 42 SER HB3 1 45 LYS QD . . 8.000 5.843 4.335 6.700 . 0 0 "[ . 1 . 2 . 3]" 2
980 1 43 LEU H 1 43 LEU HA . . 3.100 2.827 2.811 2.839 . 0 0 "[ . 1 . 2 . 3]" 2
981 1 43 LEU H 1 43 LEU HB2 . . 3.000 2.003 1.990 2.012 . 0 0 "[ . 1 . 2 . 3]" 2
982 1 43 LEU H 1 43 LEU HB3 . . 3.200 3.174 3.099 3.240 0.040 21 0 "[ . 1 . 2 . 3]" 2
983 1 43 LEU H 1 43 LEU HG . . 4.100 4.011 3.653 4.163 0.063 21 0 "[ . 1 . 2 . 3]" 2
984 1 43 LEU H 1 44 LEU H . . 3.100 2.522 2.482 2.580 . 0 0 "[ . 1 . 2 . 3]" 2
985 1 43 LEU H 1 44 LEU HB2 . . 6.400 4.670 4.633 4.859 . 0 0 "[ . 1 . 2 . 3]" 2
986 1 43 LEU H 1 44 LEU HG . . 5.600 4.123 3.899 4.269 . 0 0 "[ . 1 . 2 . 3]" 2
987 1 43 LEU H 1 45 LYS H . . 4.300 4.057 3.823 4.153 . 0 0 "[ . 1 . 2 . 3]" 2
988 1 43 LEU HA 1 43 LEU HG . . 4.100 3.289 2.134 3.609 . 0 0 "[ . 1 . 2 . 3]" 2
989 1 43 LEU HA 1 44 LEU H . . 3.900 3.491 3.471 3.567 . 0 0 "[ . 1 . 2 . 3]" 2
990 1 43 LEU HA 1 44 LEU HA . . 5.100 4.719 4.706 4.724 . 0 0 "[ . 1 . 2 . 3]" 2
991 1 43 LEU HA 1 45 LYS H . . 4.600 3.867 3.411 3.983 . 0 0 "[ . 1 . 2 . 3]" 2
992 1 43 LEU HA 1 45 LYS HG2 . . 7.000 5.733 4.120 7.016 0.016 26 0 "[ . 1 . 2 . 3]" 2
993 1 43 LEU HA 1 45 LYS QD . . 8.000 6.302 5.221 7.189 . 0 0 "[ . 1 . 2 . 3]" 2
994 1 43 LEU HA 1 46 GLY H . . 5.400 3.379 3.048 5.181 . 0 0 "[ . 1 . 2 . 3]" 2
995 1 43 LEU HB2 1 43 LEU HG . . 2.700 2.363 2.301 2.720 0.020 29 0 "[ . 1 . 2 . 3]" 2
996 1 43 LEU HB2 1 44 LEU H . . 3.600 3.570 3.345 3.669 0.069 25 0 "[ . 1 . 2 . 3]" 2
997 1 43 LEU HB2 1 73 LEU HG . . 6.800 5.092 4.745 5.321 . 0 0 "[ . 1 . 2 . 3]" 2
998 1 43 LEU HB2 1 73 LEU MD1 . . 8.000 5.211 4.793 5.541 . 0 0 "[ . 1 . 2 . 3]" 2
999 1 43 LEU HB2 1 73 LEU MD2 . . 8.000 4.324 3.952 4.872 . 0 0 "[ . 1 . 2 . 3]" 2
1000 1 43 LEU HB2 1 77 ILE HG13 . . 5.200 4.596 3.999 5.204 0.004 26 0 "[ . 1 . 2 . 3]" 2
1001 1 43 LEU HB2 1 77 ILE MD . . 8.000 4.454 3.442 5.553 . 0 0 "[ . 1 . 2 . 3]" 2
1002 1 43 LEU HB3 1 44 LEU H . . 3.500 3.513 3.241 3.553 0.053 29 0 "[ . 1 . 2 . 3]" 2
1003 1 43 LEU HB3 1 73 LEU MD1 . . 8.000 4.280 3.895 4.562 . 0 0 "[ . 1 . 2 . 3]" 2
1004 1 43 LEU HB3 1 73 LEU MD2 . . 8.000 3.605 3.225 3.952 . 0 0 "[ . 1 . 2 . 3]" 2
1005 1 43 LEU HG 1 44 LEU H . . 7.000 5.525 5.176 5.641 . 0 0 "[ . 1 . 2 . 3]" 2
1006 1 43 LEU HG 1 77 ILE MG . . 8.000 4.564 3.792 5.727 . 0 0 "[ . 1 . 2 . 3]" 2
1007 1 43 LEU QD 1 44 LEU H . . 9.400 4.148 4.069 4.421 . 0 0 "[ . 1 . 2 . 3]" 2
1008 1 43 LEU QD 1 76 LYS QB . . 10.400 2.211 1.840 2.666 . 0 0 "[ . 1 . 2 . 3]" 2
1009 1 43 LEU QD 1 77 ILE HA . . 9.400 2.694 1.975 3.911 . 0 0 "[ . 1 . 2 . 3]" 2
1010 1 43 LEU QD 1 77 ILE MG . . 10.100 3.632 2.990 4.205 . 0 0 "[ . 1 . 2 . 3]" 2
1011 1 44 LEU H 1 44 LEU HB2 . . 3.100 2.348 2.309 2.471 . 0 0 "[ . 1 . 2 . 3]" 2
1012 1 44 LEU H 1 44 LEU HB3 . . 3.600 3.538 3.528 3.561 . 0 0 "[ . 1 . 2 . 3]" 2
1013 1 44 LEU H 1 44 LEU HG . . 3.300 2.471 2.270 2.571 . 0 0 "[ . 1 . 2 . 3]" 2
1014 1 44 LEU H 1 44 LEU MD1 . . 5.400 3.514 3.184 3.710 . 0 0 "[ . 1 . 2 . 3]" 2
1015 1 44 LEU H 1 44 LEU MD2 . . 5.400 3.640 3.361 3.879 . 0 0 "[ . 1 . 2 . 3]" 2
1016 1 44 LEU H 1 45 LYS H . . 3.100 2.433 2.418 2.568 . 0 0 "[ . 1 . 2 . 3]" 2
1017 1 44 LEU H 1 45 LYS HB2 . . 5.400 5.296 4.392 5.969 0.569 25 3 "[ . 1* . 2 + - 3]" 2
1018 1 44 LEU H 1 45 LYS HG2 . . 7.000 5.072 3.958 5.869 . 0 0 "[ . 1 . 2 . 3]" 2
1019 1 44 LEU H 1 45 LYS HG3 . . 6.800 4.735 3.595 6.642 . 0 0 "[ . 1 . 2 . 3]" 2
1020 1 44 LEU H 1 46 GLY H . . 5.600 4.077 3.812 5.096 . 0 0 "[ . 1 . 2 . 3]" 2
1021 1 44 LEU HA 1 44 LEU HG . . 3.700 2.932 2.725 3.101 . 0 0 "[ . 1 . 2 . 3]" 2
1022 1 44 LEU HA 1 44 LEU MD2 . . 3.400 2.135 1.963 2.478 . 0 0 "[ . 1 . 2 . 3]" 2
1023 1 44 LEU HA 1 45 LYS H . . 3.900 3.522 3.325 3.551 . 0 0 "[ . 1 . 2 . 3]" 2
1024 1 44 LEU HA 1 45 LYS HG2 . . 7.000 6.234 5.128 7.000 . 0 0 "[ . 1 . 2 . 3]" 2
1025 1 44 LEU HA 1 45 LYS HG3 . . 7.000 5.867 5.184 6.932 . 0 0 "[ . 1 . 2 . 3]" 2
1026 1 44 LEU HA 1 46 GLY H . . 4.800 4.010 3.383 4.204 . 0 0 "[ . 1 . 2 . 3]" 2
1027 1 44 LEU HA 1 46 GLY HA2 . . 7.000 6.370 6.262 6.480 . 0 0 "[ . 1 . 2 . 3]" 2
1028 1 44 LEU HA 1 53 LEU MD1 . . 8.000 4.044 3.484 4.597 . 0 0 "[ . 1 . 2 . 3]" 2
1029 1 44 LEU HB2 1 44 LEU HG . . 3.100 2.531 2.467 2.657 . 0 0 "[ . 1 . 2 . 3]" 2
1030 1 44 LEU HB2 1 45 LYS H . . 3.800 3.097 3.000 3.636 . 0 0 "[ . 1 . 2 . 3]" 2
1031 1 44 LEU HB3 1 44 LEU MD1 . . 3.400 2.474 2.348 2.705 . 0 0 "[ . 1 . 2 . 3]" 2
1032 1 44 LEU HB3 1 44 LEU MD2 . . 3.600 2.302 2.111 2.405 . 0 0 "[ . 1 . 2 . 3]" 2
1033 1 44 LEU HB3 1 45 LYS H . . 7.000 3.986 3.874 4.406 . 0 0 "[ . 1 . 2 . 3]" 2
1034 1 44 LEU HB3 1 53 LEU MD1 . . 8.000 6.030 5.354 6.545 . 0 0 "[ . 1 . 2 . 3]" 2
1035 1 44 LEU HG 1 45 LYS H . . 4.600 4.582 4.443 4.634 0.034 24 0 "[ . 1 . 2 . 3]" 2
1036 1 44 LEU MD1 1 45 LYS H . . 8.000 4.819 4.585 4.980 . 0 0 "[ . 1 . 2 . 3]" 2
1037 1 44 LEU MD2 1 45 LYS H . . 6.200 4.863 4.746 5.032 . 0 0 "[ . 1 . 2 . 3]" 2
1038 1 44 LEU MD2 1 49 THR HA . . 8.000 4.902 4.491 5.135 . 0 0 "[ . 1 . 2 . 3]" 2
1039 1 44 LEU MD2 1 49 THR HB . . 8.000 6.355 5.750 6.575 . 0 0 "[ . 1 . 2 . 3]" 2
1040 1 44 LEU MD2 1 50 LEU H . . 8.000 4.530 3.949 4.765 . 0 0 "[ . 1 . 2 . 3]" 2
1041 1 44 LEU MD2 1 50 LEU HA . . 8.000 3.786 3.105 4.143 . 0 0 "[ . 1 . 2 . 3]" 2
1042 1 44 LEU MD2 1 50 LEU MD2 . . 7.100 3.108 1.850 4.835 . 0 0 "[ . 1 . 2 . 3]" 2
1043 1 45 LYS H 1 45 LYS HA . . 3.100 2.842 2.817 2.932 . 0 0 "[ . 1 . 2 . 3]" 2
1044 1 45 LYS H 1 45 LYS HB2 . . 3.000 3.006 2.208 3.569 0.569 25 7 "[ . -* * 2* + ** 3]" 2
1045 1 45 LYS H 1 45 LYS HB3 . . 3.700 2.809 2.040 3.647 . 0 0 "[ . 1 . 2 . 3]" 2
1046 1 45 LYS H 1 45 LYS HG2 . . 3.800 3.205 2.328 3.723 . 0 0 "[ . 1 . 2 . 3]" 2
1047 1 45 LYS H 1 45 LYS HG3 . . 4.100 2.876 2.225 4.234 0.134 23 0 "[ . 1 . 2 . 3]" 2
1048 1 45 LYS H 1 45 LYS QD . . 5.700 4.180 1.931 4.654 . 0 0 "[ . 1 . 2 . 3]" 2
1049 1 45 LYS H 1 46 GLY H . . 3.400 2.574 2.392 3.459 0.059 13 0 "[ . 1 . 2 . 3]" 2
1050 1 45 LYS HA 1 45 LYS HG2 . . 4.200 3.401 2.103 4.234 0.034 16 0 "[ . 1 . 2 . 3]" 2
1051 1 45 LYS HA 1 45 LYS HG3 . . 4.000 3.458 2.573 3.694 . 0 0 "[ . 1 . 2 . 3]" 2
1052 1 45 LYS HA 1 46 GLY H . . 3.700 3.476 2.612 3.584 . 0 0 "[ . 1 . 2 . 3]" 2
1053 1 45 LYS HA 1 46 GLY HA2 . . 5.200 4.936 4.395 5.008 . 0 0 "[ . 1 . 2 . 3]" 2
1054 1 45 LYS HB2 1 45 LYS HG3 . . 3.100 2.691 2.286 3.037 . 0 0 "[ . 1 . 2 . 3]" 2
1055 1 45 LYS HB2 1 45 LYS QD . . 3.900 2.445 1.952 3.332 . 0 0 "[ . 1 . 2 . 3]" 2
1056 1 45 LYS HB2 1 46 GLY H . . 4.500 3.837 2.861 4.487 . 0 0 "[ . 1 . 2 . 3]" 2
1057 1 45 LYS HB2 1 46 GLY HA3 . . 6.200 5.622 4.880 6.307 0.107 23 0 "[ . 1 . 2 . 3]" 2
1058 1 45 LYS HB3 1 46 GLY H . . 3.700 3.900 3.278 4.530 0.830 13 3 "[ . 1 + . * .- 3]" 2
1059 1 45 LYS QD 1 46 GLY H . . 8.000 4.507 3.274 5.991 . 0 0 "[ . 1 . 2 . 3]" 2
1060 1 46 GLY H 1 46 GLY HA2 . . 3.100 2.717 2.673 2.959 . 0 0 "[ . 1 . 2 . 3]" 2
1061 1 46 GLY H 1 46 GLY HA3 . . 3.100 2.290 2.259 2.552 . 0 0 "[ . 1 . 2 . 3]" 2
1062 1 46 GLY H 1 47 MET H . . 5.000 4.645 4.437 4.673 . 0 0 "[ . 1 . 2 . 3]" 2
1063 1 46 GLY HA2 1 47 MET H . . 3.200 2.469 2.412 2.532 . 0 0 "[ . 1 . 2 . 3]" 2
1064 1 46 GLY HA3 1 47 MET H . . 3.400 2.783 2.710 2.853 . 0 0 "[ . 1 . 2 . 3]" 2
1065 1 46 GLY HA3 1 48 SER H . . 7.000 2.890 2.880 2.917 . 0 0 "[ . 1 . 2 . 3]" 2
1066 1 47 MET H 1 47 MET HB2 . . 3.500 2.410 2.365 2.428 . 0 0 "[ . 1 . 2 . 3]" 2
1067 1 47 MET H 1 47 MET HB3 . . 4.200 3.527 3.523 3.532 . 0 0 "[ . 1 . 2 . 3]" 2
1068 1 47 MET H 1 47 MET HG2 . . 4.900 3.053 2.087 3.826 . 0 0 "[ . 1 . 2 . 3]" 2
1069 1 47 MET H 1 47 MET HG3 . . 5.000 2.548 2.101 3.276 . 0 0 "[ . 1 . 2 . 3]" 2
1070 1 47 MET H 1 48 SER H . . 5.000 2.629 2.580 2.662 . 0 0 "[ . 1 . 2 . 3]" 2
1071 1 47 MET HA 1 48 SER H . . 3.600 3.349 3.337 3.367 . 0 0 "[ . 1 . 2 . 3]" 2
1072 1 47 MET HA 1 49 THR H . . 5.600 4.964 4.950 5.000 . 0 0 "[ . 1 . 2 . 3]" 2
1073 1 47 MET HB2 1 48 SER H . . 3.400 3.496 3.454 3.524 0.124 24 0 "[ . 1 . 2 . 3]" 2
1074 1 47 MET HB3 1 48 SER H . . 4.300 4.303 4.256 4.313 0.013 24 0 "[ . 1 . 2 . 3]" 2
1075 1 47 MET HG3 1 48 SER H . . 7.000 4.824 4.519 5.391 . 0 0 "[ . 1 . 2 . 3]" 2
1076 1 48 SER H 1 48 SER HB2 . . 3.500 2.592 2.302 3.515 0.015 24 0 "[ . 1 . 2 . 3]" 2
1077 1 48 SER H 1 49 THR H . . 4.000 4.203 4.170 4.221 0.221 30 0 "[ . 1 . 2 . 3]" 2
1078 1 48 SER HA 1 49 THR H . . 3.000 2.259 2.256 2.261 . 0 0 "[ . 1 . 2 . 3]" 2
1079 1 48 SER HB2 1 49 THR H . . 4.600 4.463 3.966 4.613 0.013 4 0 "[ . 1 . 2 . 3]" 2
1080 1 48 SER HB2 1 52 GLU HB2 . . 6.400 5.118 3.865 5.545 . 0 0 "[ . 1 . 2 . 3]" 2
1081 1 48 SER HB2 1 52 GLU HB3 . . 6.200 4.173 2.769 4.674 . 0 0 "[ . 1 . 2 . 3]" 2
1082 1 48 SER HB2 1 53 LEU HA . . 5.400 4.629 3.351 5.209 . 0 0 "[ . 1 . 2 . 3]" 2
1083 1 48 SER HB2 1 53 LEU HB3 . . 7.000 5.860 4.963 6.932 . 0 0 "[ . 1 . 2 . 3]" 2
1084 1 48 SER HB2 1 53 LEU MD1 . . 8.000 2.383 1.967 3.277 . 0 0 "[ . 1 . 2 . 3]" 2
1085 1 48 SER HB3 1 49 THR H . . 4.600 4.056 3.935 4.484 . 0 0 "[ . 1 . 2 . 3]" 2
1086 1 48 SER HB3 1 52 GLU HB2 . . 6.100 4.184 3.623 5.324 . 0 0 "[ . 1 . 2 . 3]" 2
1087 1 48 SER HB3 1 52 GLU HB3 . . 6.500 3.023 2.369 4.447 . 0 0 "[ . 1 . 2 . 3]" 2
1088 1 48 SER HB3 1 53 LEU H . . 7.000 4.099 3.589 5.204 . 0 0 "[ . 1 . 2 . 3]" 2
1089 1 48 SER HB3 1 53 LEU HA . . 4.700 3.807 3.320 4.713 0.013 24 0 "[ . 1 . 2 . 3]" 2
1090 1 48 SER HB3 1 53 LEU MD1 . . 8.000 2.409 1.975 3.577 . 0 0 "[ . 1 . 2 . 3]" 2
1091 1 49 THR H 1 49 THR HB . . 3.700 3.491 3.463 3.500 . 0 0 "[ . 1 . 2 . 3]" 2
1092 1 49 THR H 1 49 THR MG . . 3.600 1.976 1.871 2.431 . 0 0 "[ . 1 . 2 . 3]" 2
1093 1 49 THR H 1 50 LEU H . . 4.600 4.632 4.622 4.643 0.043 21 0 "[ . 1 . 2 . 3]" 2
1094 1 49 THR H 1 51 ASP H . . 6.700 5.782 5.691 5.842 . 0 0 "[ . 1 . 2 . 3]" 2
1095 1 49 THR H 1 52 GLU H . . 5.400 3.967 3.876 4.044 . 0 0 "[ . 1 . 2 . 3]" 2
1096 1 49 THR H 1 52 GLU HB2 . . 4.800 2.425 2.267 2.528 . 0 0 "[ . 1 . 2 . 3]" 2
1097 1 49 THR H 1 52 GLU HB3 . . 4.500 3.286 3.151 3.485 . 0 0 "[ . 1 . 2 . 3]" 2
1098 1 49 THR H 1 52 GLU HG2 . . 7.000 4.934 4.695 5.098 . 0 0 "[ . 1 . 2 . 3]" 2
1099 1 49 THR H 1 52 GLU HG3 . . 7.000 3.890 3.628 4.045 . 0 0 "[ . 1 . 2 . 3]" 2
1100 1 49 THR H 1 53 LEU H . . 5.200 4.511 4.365 4.745 . 0 0 "[ . 1 . 2 . 3]" 2
1101 1 49 THR HA 1 49 THR MG . . 3.400 2.471 2.276 2.537 . 0 0 "[ . 1 . 2 . 3]" 2
1102 1 49 THR HA 1 50 LEU H . . 3.000 2.508 2.489 2.517 . 0 0 "[ . 1 . 2 . 3]" 2
1103 1 49 THR HA 1 50 LEU HA . . 5.400 4.238 4.237 4.239 . 0 0 "[ . 1 . 2 . 3]" 2
1104 1 49 THR HA 1 51 ASP H . . 6.400 4.969 4.890 4.995 . 0 0 "[ . 1 . 2 . 3]" 2
1105 1 49 THR HA 1 52 GLU H . . 6.700 4.705 4.615 4.756 . 0 0 "[ . 1 . 2 . 3]" 2
1106 1 49 THR HB 1 50 LEU H . . 3.100 2.459 2.424 2.504 . 0 0 "[ . 1 . 2 . 3]" 2
1107 1 49 THR HB 1 51 ASP H . . 4.200 3.637 3.405 3.721 . 0 0 "[ . 1 . 2 . 3]" 2
1108 1 49 THR HB 1 51 ASP HB2 . . 7.000 4.233 4.038 4.465 . 0 0 "[ . 1 . 2 . 3]" 2
1109 1 49 THR HB 1 52 GLU H . . 5.300 3.858 3.558 4.041 . 0 0 "[ . 1 . 2 . 3]" 2
1110 1 49 THR MG 1 50 LEU H . . 7.600 3.869 3.625 3.949 . 0 0 "[ . 1 . 2 . 3]" 2
1111 1 49 THR MG 1 51 ASP H . . 8.000 5.002 4.926 5.030 . 0 0 "[ . 1 . 2 . 3]" 2
1112 1 49 THR MG 1 52 GLU H . . 8.000 4.268 4.181 4.473 . 0 0 "[ . 1 . 2 . 3]" 2
1113 1 49 THR MG 1 52 GLU HG3 . . 8.000 4.124 3.862 4.547 . 0 0 "[ . 1 . 2 . 3]" 2
1114 1 50 LEU H 1 50 LEU HB2 . . 3.100 2.097 2.054 2.140 . 0 0 "[ . 1 . 2 . 3]" 2
1115 1 50 LEU H 1 50 LEU HB3 . . 2.900 2.844 2.777 2.916 0.016 17 0 "[ . 1 . 2 . 3]" 2
1116 1 50 LEU H 1 50 LEU HG . . 4.800 4.443 4.305 4.563 . 0 0 "[ . 1 . 2 . 3]" 2
1117 1 50 LEU H 1 50 LEU MD1 . . 5.500 3.915 3.458 4.320 . 0 0 "[ . 1 . 2 . 3]" 2
1118 1 50 LEU H 1 50 LEU MD2 . . 5.400 3.846 3.429 4.363 . 0 0 "[ . 1 . 2 . 3]" 2
1119 1 50 LEU H 1 51 ASP H . . 3.300 3.045 3.005 3.061 . 0 0 "[ . 1 . 2 . 3]" 2
1120 1 50 LEU H 1 52 GLU H . . 6.400 4.260 4.175 4.346 . 0 0 "[ . 1 . 2 . 3]" 2
1121 1 50 LEU H 1 53 LEU H . . 6.500 4.535 4.497 4.613 . 0 0 "[ . 1 . 2 . 3]" 2
1122 1 50 LEU H 1 53 LEU MD2 . . 8.000 5.932 5.677 6.503 . 0 0 "[ . 1 . 2 . 3]" 2
1123 1 50 LEU HA 1 50 LEU HG . . 4.200 3.229 2.320 3.694 . 0 0 "[ . 1 . 2 . 3]" 2
1124 1 50 LEU HA 1 50 LEU MD1 . . 3.600 2.493 1.882 3.126 . 0 0 "[ . 1 . 2 . 3]" 2
1125 1 50 LEU HA 1 50 LEU MD2 . . 4.300 2.828 1.882 3.759 . 0 0 "[ . 1 . 2 . 3]" 2
1126 1 50 LEU HA 1 51 ASP H . . 3.800 3.639 3.638 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
1127 1 50 LEU HA 1 51 ASP HA . . 5.600 4.821 4.805 4.835 . 0 0 "[ . 1 . 2 . 3]" 2
1128 1 50 LEU HA 1 53 LEU H . . 4.600 3.340 3.295 3.381 . 0 0 "[ . 1 . 2 . 3]" 2
1129 1 50 LEU HA 1 53 LEU HB3 . . 4.500 3.180 3.057 3.364 . 0 0 "[ . 1 . 2 . 3]" 2
1130 1 50 LEU HB2 1 51 ASP H . . 3.800 3.429 3.354 3.486 . 0 0 "[ . 1 . 2 . 3]" 2
1131 1 50 LEU HB2 1 51 ASP HA . . 5.400 5.436 5.392 5.473 0.073 13 0 "[ . 1 . 2 . 3]" 2
1132 1 50 LEU HB3 1 50 LEU HG . . 2.900 2.493 2.276 2.795 . 0 0 "[ . 1 . 2 . 3]" 2
1133 1 50 LEU HB3 1 51 ASP H . . 3.200 2.196 2.166 2.265 . 0 0 "[ . 1 . 2 . 3]" 2
1134 1 50 LEU HB3 1 51 ASP HA . . 5.500 3.886 3.839 3.937 . 0 0 "[ . 1 . 2 . 3]" 2
1135 1 50 LEU HG 1 51 ASP H . . 5.800 4.375 3.854 4.710 . 0 0 "[ . 1 . 2 . 3]" 2
1136 1 50 LEU MD1 1 51 ASP H . . 6.500 3.855 3.054 4.758 . 0 0 "[ . 1 . 2 . 3]" 2
1137 1 50 LEU MD1 1 54 PHE H . . 8.000 3.966 3.038 5.462 . 0 0 "[ . 1 . 2 . 3]" 2
1138 1 50 LEU MD2 1 51 ASP H . . 6.900 4.313 3.607 4.736 . 0 0 "[ . 1 . 2 . 3]" 2
1139 1 51 ASP H 1 51 ASP HB2 . . 3.000 2.120 2.031 2.796 . 0 0 "[ . 1 . 2 . 3]" 2
1140 1 51 ASP H 1 51 ASP HB3 . . 3.500 3.320 3.068 3.536 0.036 19 0 "[ . 1 . 2 . 3]" 2
1141 1 51 ASP H 1 52 GLU H . . 3.200 2.974 2.910 3.008 . 0 0 "[ . 1 . 2 . 3]" 2
1142 1 51 ASP H 1 53 LEU H . . 4.300 4.297 4.242 4.340 0.040 28 0 "[ . 1 . 2 . 3]" 2
1143 1 51 ASP H 1 54 PHE H . . 5.900 4.556 4.477 4.661 . 0 0 "[ . 1 . 2 . 3]" 2
1144 1 51 ASP H 1 55 GLU H . . 7.000 5.926 5.779 6.102 . 0 0 "[ . 1 . 2 . 3]" 2
1145 1 51 ASP HA 1 52 GLU H . . 4.300 3.643 3.635 3.647 . 0 0 "[ . 1 . 2 . 3]" 2
1146 1 51 ASP HA 1 53 LEU H . . 7.000 4.526 4.464 4.604 . 0 0 "[ . 1 . 2 . 3]" 2
1147 1 51 ASP HA 1 54 PHE H . . 4.200 3.389 3.300 3.487 . 0 0 "[ . 1 . 2 . 3]" 2
1148 1 51 ASP HA 1 54 PHE HB2 . . 3.100 3.005 2.742 3.108 0.008 29 0 "[ . 1 . 2 . 3]" 2
1149 1 51 ASP HA 1 54 PHE HB3 . . 4.400 2.609 2.459 2.885 . 0 0 "[ . 1 . 2 . 3]" 2
1150 1 51 ASP HA 1 55 GLU H . . 7.000 3.920 3.718 4.156 . 0 0 "[ . 1 . 2 . 3]" 2
1151 1 51 ASP HA 1 55 GLU QB . . 5.100 4.719 4.449 4.946 . 0 0 "[ . 1 . 2 . 3]" 2
1152 1 51 ASP HB2 1 52 GLU H . . 3.400 2.882 2.262 3.261 . 0 0 "[ . 1 . 2 . 3]" 2
1153 1 51 ASP HB3 1 52 GLU H . . 3.600 2.727 2.320 3.610 0.010 19 0 "[ . 1 . 2 . 3]" 2
1154 1 51 ASP HB3 1 54 PHE H . . 6.900 5.204 5.087 5.320 . 0 0 "[ . 1 . 2 . 3]" 2
1155 1 51 ASP HB3 1 54 PHE QD . . 9.000 5.427 4.835 5.818 . 0 0 "[ . 1 . 2 . 3]" 2
1156 1 52 GLU H 1 52 GLU HB2 . . 3.800 2.039 2.037 2.040 . 0 0 "[ . 1 . 2 . 3]" 2
1157 1 52 GLU H 1 52 GLU HB3 . . 3.200 3.316 3.313 3.318 0.118 22 0 "[ . 1 . 2 . 3]" 2
1158 1 52 GLU H 1 52 GLU HG2 . . 3.900 3.914 3.910 3.917 0.017 19 0 "[ . 1 . 2 . 3]" 2
1159 1 52 GLU H 1 52 GLU HG3 . . 3.300 3.328 3.321 3.333 0.033 10 0 "[ . 1 . 2 . 3]" 2
1160 1 52 GLU H 1 53 LEU H . . 3.100 2.820 2.806 2.833 . 0 0 "[ . 1 . 2 . 3]" 2
1161 1 52 GLU H 1 54 PHE H . . 6.000 4.186 4.086 4.319 . 0 0 "[ . 1 . 2 . 3]" 2
1162 1 52 GLU HA 1 52 GLU HB2 . . 3.100 2.907 2.905 2.909 . 0 0 "[ . 1 . 2 . 3]" 2
1163 1 52 GLU HA 1 52 GLU HB3 . . 2.900 2.852 2.849 2.855 . 0 0 "[ . 1 . 2 . 3]" 2
1164 1 52 GLU HA 1 52 GLU HG2 . . 3.100 2.076 2.075 2.077 . 0 0 "[ . 1 . 2 . 3]" 2
1165 1 52 GLU HA 1 52 GLU HG3 . . 3.300 2.867 2.866 2.870 . 0 0 "[ . 1 . 2 . 3]" 2
1166 1 52 GLU HA 1 53 LEU H . . 3.800 3.617 3.611 3.622 . 0 0 "[ . 1 . 2 . 3]" 2
1167 1 52 GLU HA 1 54 PHE H . . 7.000 4.514 4.406 4.667 . 0 0 "[ . 1 . 2 . 3]" 2
1168 1 52 GLU HA 1 55 GLU H . . 5.500 3.577 3.465 3.724 . 0 0 "[ . 1 . 2 . 3]" 2
1169 1 52 GLU HA 1 55 GLU QB . . 5.300 3.137 2.713 4.080 . 0 0 "[ . 1 . 2 . 3]" 2
1170 1 52 GLU HA 1 55 GLU HG2 . . 7.000 5.326 2.526 6.191 . 0 0 "[ . 1 . 2 . 3]" 2
1171 1 52 GLU HA 1 55 GLU HG3 . . 7.000 4.727 2.121 5.847 . 0 0 "[ . 1 . 2 . 3]" 2
1172 1 52 GLU HA 1 56 GLU H . . 6.300 3.682 3.499 3.895 . 0 0 "[ . 1 . 2 . 3]" 2
1173 1 52 GLU HB2 1 52 GLU HG3 . . 3.100 2.341 2.340 2.342 . 0 0 "[ . 1 . 2 . 3]" 2
1174 1 52 GLU HB2 1 53 LEU H . . 3.300 3.062 3.029 3.099 . 0 0 "[ . 1 . 2 . 3]" 2
1175 1 52 GLU HB3 1 52 GLU HG2 . . 3.100 2.703 2.701 2.704 . 0 0 "[ . 1 . 2 . 3]" 2
1176 1 52 GLU HB3 1 53 LEU H . . 3.400 2.986 2.944 3.037 . 0 0 "[ . 1 . 2 . 3]" 2
1177 1 52 GLU HG2 1 53 LEU H . . 7.000 4.930 4.913 4.950 . 0 0 "[ . 1 . 2 . 3]" 2
1178 1 52 GLU HG3 1 53 LEU H . . 7.000 5.079 5.056 5.102 . 0 0 "[ . 1 . 2 . 3]" 2
1179 1 53 LEU H 1 53 LEU HB2 . . 2.900 2.044 2.013 2.067 . 0 0 "[ . 1 . 2 . 3]" 2
1180 1 53 LEU H 1 53 LEU HB3 . . 3.100 2.959 2.925 3.019 . 0 0 "[ . 1 . 2 . 3]" 2
1181 1 53 LEU H 1 53 LEU HG . . 4.500 4.282 4.054 4.368 . 0 0 "[ . 1 . 2 . 3]" 2
1182 1 53 LEU H 1 53 LEU MD1 . . 4.800 3.417 3.275 3.659 . 0 0 "[ . 1 . 2 . 3]" 2
1183 1 53 LEU H 1 53 LEU MD2 . . 5.200 4.327 4.286 4.404 . 0 0 "[ . 1 . 2 . 3]" 2
1184 1 53 LEU H 1 54 PHE H . . 3.000 2.670 2.611 2.771 . 0 0 "[ . 1 . 2 . 3]" 2
1185 1 53 LEU H 1 55 GLU H . . 4.300 4.350 4.323 4.375 0.075 18 0 "[ . 1 . 2 . 3]" 2
1186 1 53 LEU H 1 56 GLU H . . 5.700 4.492 4.391 4.741 . 0 0 "[ . 1 . 2 . 3]" 2
1187 1 53 LEU H 1 56 GLU QB . . 7.700 4.306 4.113 4.665 . 0 0 "[ . 1 . 2 . 3]" 2
1188 1 53 LEU HA 1 53 LEU HB2 . . 3.000 2.723 2.700 2.750 . 0 0 "[ . 1 . 2 . 3]" 2
1189 1 53 LEU HA 1 53 LEU HG . . 4.400 2.279 2.091 2.393 . 0 0 "[ . 1 . 2 . 3]" 2
1190 1 53 LEU HA 1 53 LEU MD1 . . 3.900 2.713 2.485 3.276 . 0 0 "[ . 1 . 2 . 3]" 2
1191 1 53 LEU HA 1 53 LEU MD2 . . 4.400 3.646 3.290 3.749 . 0 0 "[ . 1 . 2 . 3]" 2
1192 1 53 LEU HA 1 54 PHE H . . 3.900 3.609 3.597 3.624 . 0 0 "[ . 1 . 2 . 3]" 2
1193 1 53 LEU HA 1 55 GLU H . . 6.200 4.705 4.625 4.782 . 0 0 "[ . 1 . 2 . 3]" 2
1194 1 53 LEU HA 1 56 GLU H . . 4.300 3.453 3.300 3.603 . 0 0 "[ . 1 . 2 . 3]" 2
1195 1 53 LEU HA 1 56 GLU QB . . 5.200 2.311 2.076 2.609 . 0 0 "[ . 1 . 2 . 3]" 2
1196 1 53 LEU HA 1 57 LEU H . . 6.000 3.351 3.078 3.634 . 0 0 "[ . 1 . 2 . 3]" 2
1197 1 53 LEU HB2 1 53 LEU MD1 . . 3.600 2.123 1.983 2.240 . 0 0 "[ . 1 . 2 . 3]" 2
1198 1 53 LEU HB2 1 54 PHE H . . 3.700 3.469 3.404 3.546 . 0 0 "[ . 1 . 2 . 3]" 2
1199 1 53 LEU HB2 1 54 PHE HA . . 5.300 5.380 5.329 5.417 0.117 10 0 "[ . 1 . 2 . 3]" 2
1200 1 53 LEU HB2 1 54 PHE HB2 . . 5.300 5.320 5.285 5.348 0.048 18 0 "[ . 1 . 2 . 3]" 2
1201 1 53 LEU HB3 1 54 PHE H . . 3.400 2.772 2.620 2.888 . 0 0 "[ . 1 . 2 . 3]" 2
1202 1 53 LEU HB3 1 54 PHE HB2 . . 7.000 4.256 4.177 4.361 . 0 0 "[ . 1 . 2 . 3]" 2
1203 1 53 LEU HG 1 54 PHE H . . 5.700 4.783 4.659 4.965 . 0 0 "[ . 1 . 2 . 3]" 2
1204 1 53 LEU HG 1 54 PHE HA . . 7.000 5.320 5.102 5.789 . 0 0 "[ . 1 . 2 . 3]" 2
1205 1 53 LEU MD1 1 54 PHE H . . 8.000 4.880 4.817 4.966 . 0 0 "[ . 1 . 2 . 3]" 2
1206 1 53 LEU MD1 1 54 PHE HA . . 8.000 6.047 5.974 6.122 . 0 0 "[ . 1 . 2 . 3]" 2
1207 1 53 LEU MD1 1 73 LEU MD1 . . 4.300 2.386 2.090 2.565 . 0 0 "[ . 1 . 2 . 3]" 2
1208 1 53 LEU MD1 1 73 LEU MD2 . . 4.900 3.044 2.843 3.209 . 0 0 "[ . 1 . 2 . 3]" 2
1209 1 53 LEU MD2 1 54 PHE H . . 6.700 4.364 4.111 4.520 . 0 0 "[ . 1 . 2 . 3]" 2
1210 1 53 LEU MD2 1 54 PHE HA . . 5.900 4.657 4.145 4.822 . 0 0 "[ . 1 . 2 . 3]" 2
1211 1 53 LEU MD2 1 73 LEU MD1 . . 4.800 2.683 2.002 2.992 . 0 0 "[ . 1 . 2 . 3]" 2
1212 1 53 LEU MD2 1 73 LEU MD2 . . 5.000 1.839 1.740 1.922 . 0 0 "[ . 1 . 2 . 3]" 2
1213 1 54 PHE H 1 54 PHE HA . . 3.100 2.764 2.741 2.776 . 0 0 "[ . 1 . 2 . 3]" 2
1214 1 54 PHE H 1 54 PHE HB2 . . 2.700 2.221 2.133 2.266 . 0 0 "[ . 1 . 2 . 3]" 2
1215 1 54 PHE H 1 54 PHE HB3 . . 2.900 2.484 2.434 2.583 . 0 0 "[ . 1 . 2 . 3]" 2
1216 1 54 PHE H 1 55 GLU H . . 3.100 2.850 2.814 2.916 . 0 0 "[ . 1 . 2 . 3]" 2
1217 1 54 PHE H 1 56 GLU H . . 6.800 4.054 3.899 4.432 . 0 0 "[ . 1 . 2 . 3]" 2
1218 1 54 PHE HA 1 54 PHE HB2 . . 2.700 2.578 2.552 2.631 . 0 0 "[ . 1 . 2 . 3]" 2
1219 1 54 PHE HA 1 55 GLU H . . 3.900 3.636 3.633 3.640 . 0 0 "[ . 1 . 2 . 3]" 2
1220 1 54 PHE HA 1 56 GLU H . . 7.000 4.604 4.421 4.897 . 0 0 "[ . 1 . 2 . 3]" 2
1221 1 54 PHE HA 1 57 LEU H . . 4.300 3.864 3.724 4.041 . 0 0 "[ . 1 . 2 . 3]" 2
1222 1 54 PHE HA 1 57 LEU HB2 . . 4.500 3.129 2.830 3.322 . 0 0 "[ . 1 . 2 . 3]" 2
1223 1 54 PHE HA 1 57 LEU HB3 . . 5.300 4.781 4.442 4.951 . 0 0 "[ . 1 . 2 . 3]" 2
1224 1 54 PHE HA 1 57 LEU HG . . 6.100 4.362 4.027 4.577 . 0 0 "[ . 1 . 2 . 3]" 2
1225 1 54 PHE HA 1 57 LEU MD1 . . 5.900 2.615 2.031 2.957 . 0 0 "[ . 1 . 2 . 3]" 2
1226 1 54 PHE HA 1 57 LEU MD2 . . 7.900 5.128 4.777 5.322 . 0 0 "[ . 1 . 2 . 3]" 2
1227 1 54 PHE HA 1 58 ASP H . . 5.500 3.846 3.518 4.130 . 0 0 "[ . 1 . 2 . 3]" 2
1228 1 54 PHE HA 1 65 VAL MG2 . . 6.700 3.353 3.090 3.868 . 0 0 "[ . 1 . 2 . 3]" 2
1229 1 54 PHE HB2 1 55 GLU H . . 3.700 3.617 3.542 3.662 . 0 0 "[ . 1 . 2 . 3]" 2
1230 1 54 PHE HB3 1 55 GLU H . . 3.400 2.215 2.155 2.255 . 0 0 "[ . 1 . 2 . 3]" 2
1231 1 54 PHE QD 1 55 GLU H . . 5.800 3.760 3.552 3.958 . 0 0 "[ . 1 . 2 . 3]" 2
1232 1 54 PHE QD 1 55 GLU HA . . 9.000 4.272 3.903 4.488 . 0 0 "[ . 1 . 2 . 3]" 2
1233 1 54 PHE QD 1 57 LEU MD1 . . 10.000 3.737 3.055 4.177 . 0 0 "[ . 1 . 2 . 3]" 2
1234 1 54 PHE QD 1 57 LEU MD2 . . 10.000 6.131 5.576 6.412 . 0 0 "[ . 1 . 2 . 3]" 2
1235 1 54 PHE QD 1 58 ASP HB3 . . 9.000 5.096 4.800 5.493 . 0 0 "[ . 1 . 2 . 3]" 2
1236 1 54 PHE QD 1 63 GLY H . . 9.000 7.270 6.889 8.152 . 0 0 "[ . 1 . 2 . 3]" 2
1237 1 54 PHE QD 1 65 VAL MG2 . . 8.700 2.865 2.544 3.658 . 0 0 "[ . 1 . 2 . 3]" 2
1238 1 54 PHE QE 1 63 GLY H . . 8.500 5.984 5.558 6.683 . 0 0 "[ . 1 . 2 . 3]" 2
1239 1 54 PHE QE 1 65 VAL MG2 . . 8.800 3.164 2.749 4.092 . 0 0 "[ . 1 . 2 . 3]" 2
1240 1 55 GLU H 1 55 GLU QB . . 3.200 2.092 2.006 2.431 . 0 0 "[ . 1 . 2 . 3]" 2
1241 1 55 GLU H 1 55 GLU HG2 . . 4.600 4.001 3.364 4.496 . 0 0 "[ . 1 . 2 . 3]" 2
1242 1 55 GLU H 1 55 GLU HG3 . . 3.900 3.331 2.130 4.000 0.100 23 0 "[ . 1 . 2 . 3]" 2
1243 1 55 GLU H 1 56 GLU H . . 3.000 2.619 2.526 2.815 . 0 0 "[ . 1 . 2 . 3]" 2
1244 1 55 GLU H 1 57 LEU H . . 4.400 4.403 4.341 4.423 0.023 16 0 "[ . 1 . 2 . 3]" 2
1245 1 55 GLU H 1 58 ASP H . . 6.800 4.781 4.581 4.980 . 0 0 "[ . 1 . 2 . 3]" 2
1246 1 55 GLU HA 1 56 GLU H . . 3.800 3.600 3.566 3.637 . 0 0 "[ . 1 . 2 . 3]" 2
1247 1 55 GLU HA 1 57 LEU H . . 6.900 4.819 4.688 4.909 . 0 0 "[ . 1 . 2 . 3]" 2
1248 1 55 GLU HA 1 58 ASP H . . 3.800 3.697 3.597 3.786 . 0 0 "[ . 1 . 2 . 3]" 2
1249 1 55 GLU QB 1 56 GLU H . . 3.900 2.892 2.667 3.495 . 0 0 "[ . 1 . 2 . 3]" 2
1250 1 55 GLU HG2 1 56 GLU H . . 7.000 4.690 3.630 5.228 . 0 0 "[ . 1 . 2 . 3]" 2
1251 1 55 GLU HG3 1 56 GLU H . . 7.000 4.440 2.009 5.305 . 0 0 "[ . 1 . 2 . 3]" 2
1252 1 55 GLU HG3 1 58 ASP H . . 7.000 6.258 5.562 6.805 . 0 0 "[ . 1 . 2 . 3]" 2
1253 1 56 GLU H 1 56 GLU QB . . 3.700 2.184 2.056 2.209 . 0 0 "[ . 1 . 2 . 3]" 2
1254 1 56 GLU H 1 56 GLU HG2 . . 4.600 4.430 4.337 4.566 . 0 0 "[ . 1 . 2 . 3]" 2
1255 1 56 GLU H 1 56 GLU HG3 . . 5.200 4.359 3.974 4.512 . 0 0 "[ . 1 . 2 . 3]" 2
1256 1 56 GLU H 1 57 LEU H . . 2.900 2.821 2.746 2.912 0.012 27 0 "[ . 1 . 2 . 3]" 2
1257 1 56 GLU H 1 57 LEU HB2 . . 5.700 4.930 4.869 4.996 . 0 0 "[ . 1 . 2 . 3]" 2
1258 1 56 GLU H 1 57 LEU HG . . 7.000 4.527 4.420 4.657 . 0 0 "[ . 1 . 2 . 3]" 2
1259 1 56 GLU H 1 58 ASP H . . 5.600 4.288 4.168 4.478 . 0 0 "[ . 1 . 2 . 3]" 2
1260 1 56 GLU HA 1 56 GLU HG2 . . 3.600 3.034 2.403 3.531 . 0 0 "[ . 1 . 2 . 3]" 2
1261 1 56 GLU HA 1 56 GLU HG3 . . 3.200 2.571 2.254 3.200 . 0 0 "[ . 1 . 2 . 3]" 2
1262 1 56 GLU HA 1 57 LEU H . . 4.000 3.639 3.635 3.642 . 0 0 "[ . 1 . 2 . 3]" 2
1263 1 56 GLU HA 1 57 LEU HA . . 5.600 4.821 4.795 4.854 . 0 0 "[ . 1 . 2 . 3]" 2
1264 1 56 GLU QB 1 57 LEU H . . 4.200 2.342 2.272 2.426 . 0 0 "[ . 1 . 2 . 3]" 2
1265 1 56 GLU QB 1 57 LEU HG . . 5.300 3.086 2.921 3.288 . 0 0 "[ . 1 . 2 . 3]" 2
1266 1 56 GLU QB 1 57 LEU MD2 . . 9.000 4.181 3.952 4.368 . 0 0 "[ . 1 . 2 . 3]" 2
1267 1 56 GLU QB 1 58 ASP H . . 8.000 4.795 4.679 4.940 . 0 0 "[ . 1 . 2 . 3]" 2
1268 1 56 GLU HG2 1 57 LEU HB2 . . 7.000 5.834 5.294 6.643 . 0 0 "[ . 1 . 2 . 3]" 2
1269 1 57 LEU H 1 57 LEU HB2 . . 3.100 2.514 2.495 2.554 . 0 0 "[ . 1 . 2 . 3]" 2
1270 1 57 LEU H 1 57 LEU HB3 . . 3.500 3.535 3.534 3.536 0.036 25 0 "[ . 1 . 2 . 3]" 2
1271 1 57 LEU H 1 57 LEU HG . . 2.900 2.074 2.022 2.108 . 0 0 "[ . 1 . 2 . 3]" 2
1272 1 57 LEU H 1 57 LEU MD1 . . 3.800 3.101 2.914 3.157 . 0 0 "[ . 1 . 2 . 3]" 2
1273 1 57 LEU H 1 57 LEU MD2 . . 4.200 3.571 3.547 3.598 . 0 0 "[ . 1 . 2 . 3]" 2
1274 1 57 LEU H 1 58 ASP H . . 3.000 2.888 2.810 3.007 0.007 25 0 "[ . 1 . 2 . 3]" 2
1275 1 57 LEU HA 1 57 LEU HB3 . . 3.000 2.453 2.427 2.475 . 0 0 "[ . 1 . 2 . 3]" 2
1276 1 57 LEU HA 1 57 LEU HG . . 3.600 2.816 2.782 2.857 . 0 0 "[ . 1 . 2 . 3]" 2
1277 1 57 LEU HA 1 57 LEU MD2 . . 3.300 2.429 2.282 2.595 . 0 0 "[ . 1 . 2 . 3]" 2
1278 1 57 LEU HA 1 58 ASP H . . 3.900 3.632 3.627 3.638 . 0 0 "[ . 1 . 2 . 3]" 2
1279 1 57 LEU HA 1 58 ASP HA . . 4.900 4.684 4.643 4.761 . 0 0 "[ . 1 . 2 . 3]" 2
1280 1 57 LEU HB2 1 57 LEU MD1 . . 3.300 2.042 1.978 2.178 . 0 0 "[ . 1 . 2 . 3]" 2
1281 1 57 LEU HB2 1 58 ASP H . . 3.300 2.436 2.324 2.512 . 0 0 "[ . 1 . 2 . 3]" 2
1282 1 57 LEU HB3 1 58 ASP H . . 3.600 3.536 3.381 3.615 0.015 4 0 "[ . 1 . 2 . 3]" 2
1283 1 57 LEU HG 1 58 ASP H . . 6.300 4.355 4.301 4.412 . 0 0 "[ . 1 . 2 . 3]" 2
1284 1 57 LEU MD1 1 58 ASP H . . 6.500 4.038 3.905 4.169 . 0 0 "[ . 1 . 2 . 3]" 2
1285 1 57 LEU MD1 1 70 PHE HA . . 6.800 4.810 4.552 5.114 . 0 0 "[ . 1 . 2 . 3]" 2
1286 1 57 LEU MD1 1 70 PHE HB2 . . 8.000 6.178 5.801 6.547 . 0 0 "[ . 1 . 2 . 3]" 2
1287 1 57 LEU MD1 1 70 PHE QD . . 9.400 4.642 4.117 5.549 . 0 0 "[ . 1 . 2 . 3]" 2
1288 1 57 LEU MD1 1 73 LEU MD2 . . 6.600 2.559 2.046 3.216 . 0 0 "[ . 1 . 2 . 3]" 2
1289 1 57 LEU MD2 1 58 ASP H . . 8.000 4.808 4.762 4.841 . 0 0 "[ . 1 . 2 . 3]" 2
1290 1 57 LEU MD2 1 70 PHE HA . . 6.200 3.130 2.657 3.569 . 0 0 "[ . 1 . 2 . 3]" 2
1291 1 57 LEU MD2 1 70 PHE HB2 . . 8.000 5.080 4.486 5.525 . 0 0 "[ . 1 . 2 . 3]" 2
1292 1 57 LEU MD2 1 70 PHE QD . . 10.000 3.858 3.250 4.910 . 0 0 "[ . 1 . 2 . 3]" 2
1293 1 57 LEU MD2 1 72 VAL H . . 5.700 4.287 4.112 4.516 . 0 0 "[ . 1 . 2 . 3]" 2
1294 1 57 LEU MD2 1 72 VAL HB . . 4.900 3.156 2.849 3.641 . 0 0 "[ . 1 . 2 . 3]" 2
1295 1 57 LEU MD2 1 73 LEU MD2 . . 9.000 2.002 1.710 2.392 . 0 0 "[ . 1 . 2 . 3]" 2
1296 1 58 ASP H 1 58 ASP HB2 . . 2.900 2.368 2.151 2.574 . 0 0 "[ . 1 . 2 . 3]" 2
1297 1 58 ASP H 1 58 ASP HB3 . . 3.300 2.576 2.359 2.821 . 0 0 "[ . 1 . 2 . 3]" 2
1298 1 58 ASP H 1 65 VAL MG1 . . 6.800 4.538 3.957 4.989 . 0 0 "[ . 1 . 2 . 3]" 2
1299 1 58 ASP H 1 65 VAL MG2 . . 6.700 2.997 2.637 3.230 . 0 0 "[ . 1 . 2 . 3]" 2
1300 1 58 ASP HA 1 65 VAL MG1 . . 8.000 4.477 3.862 4.946 . 0 0 "[ . 1 . 2 . 3]" 2
1301 1 58 ASP HB2 1 65 VAL MG2 . . 8.000 2.710 2.290 2.953 . 0 0 "[ . 1 . 2 . 3]" 2
1302 1 58 ASP HB3 1 65 VAL MG2 . . 4.900 4.042 3.610 4.117 . 0 0 "[ . 1 . 2 . 3]" 2
1303 1 60 ASN H 1 60 ASN HA . . 3.000 2.822 2.700 2.901 . 0 0 "[ . 1 . 2 . 3]" 2
1304 1 60 ASN H 1 60 ASN HB2 . . 3.600 3.004 2.134 3.606 0.006 24 0 "[ . 1 . 2 . 3]" 2
1305 1 60 ASN H 1 60 ASN HB3 . . 4.200 3.137 2.460 3.625 . 0 0 "[ . 1 . 2 . 3]" 2
1306 1 60 ASN H 1 60 ASN QD . . 4.300 3.555 1.876 4.314 0.014 2 0 "[ . 1 . 2 . 3]" 2
1307 1 60 ASN H 1 61 GLY H . . 4.600 2.680 2.027 4.545 . 0 0 "[ . 1 . 2 . 3]" 2
1308 1 60 ASN HA 1 61 GLY H . . 5.200 3.345 2.674 3.650 . 0 0 "[ . 1 . 2 . 3]" 2
1309 1 60 ASN HB2 1 60 ASN QD . . 3.200 3.023 2.438 3.374 0.174 11 0 "[ . 1 . 2 . 3]" 2
1310 1 60 ASN HB3 1 60 ASN QD . . 3.100 2.387 2.084 3.373 0.273 5 0 "[ . 1 . 2 . 3]" 2
1311 1 60 ASN HB3 1 61 GLY H . . 4.500 4.136 2.125 4.582 0.082 30 0 "[ . 1 . 2 . 3]" 2
1312 1 60 ASN QD 1 62 ASP HB2 . . 7.000 5.280 2.717 7.425 0.425 25 0 "[ . 1 . 2 . 3]" 2
1313 1 61 GLY QA 1 63 GLY H . . 8.000 4.313 3.820 5.125 . 0 0 "[ . 1 . 2 . 3]" 2
1314 1 62 ASP HA 1 62 ASP HB2 . . 3.100 2.749 2.311 3.056 . 0 0 "[ . 1 . 2 . 3]" 2
1315 1 62 ASP HA 1 63 GLY H . . 4.400 3.641 3.600 3.655 . 0 0 "[ . 1 . 2 . 3]" 2
1316 1 64 GLU HA 1 65 VAL H . . 3.000 2.237 2.202 2.378 . 0 0 "[ . 1 . 2 . 3]" 2
1317 1 65 VAL H 1 65 VAL HB . . 2.900 2.318 2.085 2.412 . 0 0 "[ . 1 . 2 . 3]" 2
1318 1 65 VAL H 1 65 VAL MG2 . . 4.300 2.667 2.468 2.866 . 0 0 "[ . 1 . 2 . 3]" 2
1319 1 65 VAL H 1 66 SER H . . 4.500 3.529 2.647 4.581 0.081 11 0 "[ . 1 . 2 . 3]" 2
1320 1 65 VAL HA 1 65 VAL MG2 . . 3.700 2.357 2.233 2.392 . 0 0 "[ . 1 . 2 . 3]" 2
1321 1 65 VAL HB 1 66 SER H . . 7.000 4.312 2.573 4.542 . 0 0 "[ . 1 . 2 . 3]" 2
1322 1 65 VAL MG1 1 66 SER H . . 7.800 3.615 1.752 4.047 . 0 0 "[ . 1 . 2 . 3]" 2
1323 1 65 VAL MG1 1 69 GLU H . . 8.000 3.893 3.392 4.054 . 0 0 "[ . 1 . 2 . 3]" 2
1324 1 65 VAL MG1 1 69 GLU HB2 . . 8.000 2.097 1.934 2.298 . 0 0 "[ . 1 . 2 . 3]" 2
1325 1 65 VAL MG1 1 69 GLU HB3 . . 6.300 3.006 2.522 3.263 . 0 0 "[ . 1 . 2 . 3]" 2
1326 1 65 VAL MG1 1 70 PHE H . . 5.300 3.278 2.697 3.445 . 0 0 "[ . 1 . 2 . 3]" 2
1327 1 65 VAL MG1 1 70 PHE HA . . 5.600 3.324 2.717 3.648 . 0 0 "[ . 1 . 2 . 3]" 2
1328 1 65 VAL MG1 1 70 PHE HB2 . . 5.200 3.349 2.689 3.593 . 0 0 "[ . 1 . 2 . 3]" 2
1329 1 65 VAL MG1 1 70 PHE HB3 . . 6.500 4.663 4.027 4.909 . 0 0 "[ . 1 . 2 . 3]" 2
1330 1 65 VAL MG1 1 70 PHE QD . . 8.700 3.320 2.871 4.099 . 0 0 "[ . 1 . 2 . 3]" 2
1331 1 65 VAL MG1 1 70 PHE QE . . 10.000 4.948 4.474 5.870 . 0 0 "[ . 1 . 2 . 3]" 2
1332 1 66 SER H 1 66 SER HG . . 3.800 2.356 1.953 3.858 0.058 18 0 "[ . 1 . 2 . 3]" 2
1333 1 66 SER H 1 67 PHE H . . 5.300 4.606 4.351 4.671 . 0 0 "[ . 1 . 2 . 3]" 2
1334 1 66 SER H 1 69 GLU HA . . 7.000 6.239 4.954 7.162 0.162 18 0 "[ . 1 . 2 . 3]" 2
1335 1 66 SER HA 1 67 PHE H . . 3.500 2.562 2.448 2.695 . 0 0 "[ . 1 . 2 . 3]" 2
1336 1 66 SER HA 1 68 GLU H . . 7.000 4.190 4.015 4.350 . 0 0 "[ . 1 . 2 . 3]" 2
1337 1 66 SER HB2 1 67 PHE H . . 3.100 2.701 2.379 2.879 . 0 0 "[ . 1 . 2 . 3]" 2
1338 1 66 SER HB2 1 68 GLU H . . 4.100 2.213 2.084 2.321 . 0 0 "[ . 1 . 2 . 3]" 2
1339 1 66 SER HB3 1 67 PHE H . . 3.600 2.964 2.639 3.283 . 0 0 "[ . 1 . 2 . 3]" 2
1340 1 66 SER HB3 1 67 PHE HB3 . . 7.000 4.919 4.647 5.391 . 0 0 "[ . 1 . 2 . 3]" 2
1341 1 66 SER HB3 1 68 GLU H . . 4.700 3.783 3.617 3.913 . 0 0 "[ . 1 . 2 . 3]" 2
1342 1 66 SER HG 1 69 GLU H . . 4.700 3.500 2.753 3.884 . 0 0 "[ . 1 . 2 . 3]" 2
1343 1 67 PHE H 1 67 PHE HB2 . . 3.000 2.166 2.037 2.249 . 0 0 "[ . 1 . 2 . 3]" 2
1344 1 67 PHE H 1 67 PHE HB3 . . 3.000 2.569 2.451 2.746 . 0 0 "[ . 1 . 2 . 3]" 2
1345 1 67 PHE H 1 68 GLU H . . 3.200 2.798 2.634 2.857 . 0 0 "[ . 1 . 2 . 3]" 2
1346 1 67 PHE H 1 68 GLU HA . . 6.400 5.236 5.074 5.315 . 0 0 "[ . 1 . 2 . 3]" 2
1347 1 67 PHE H 1 69 GLU H . . 6.800 4.791 4.684 4.928 . 0 0 "[ . 1 . 2 . 3]" 2
1348 1 67 PHE HA 1 67 PHE HB3 . . 3.100 3.075 3.061 3.079 . 0 0 "[ . 1 . 2 . 3]" 2
1349 1 67 PHE HA 1 67 PHE QD . . 4.300 2.347 2.033 3.181 . 0 0 "[ . 1 . 2 . 3]" 2
1350 1 67 PHE HA 1 67 PHE QE . . 5.700 4.470 4.321 4.773 . 0 0 "[ . 1 . 2 . 3]" 2
1351 1 67 PHE HA 1 68 GLU H . . 4.000 3.537 3.463 3.584 . 0 0 "[ . 1 . 2 . 3]" 2
1352 1 67 PHE HA 1 69 GLU H . . 7.000 4.616 4.411 4.901 . 0 0 "[ . 1 . 2 . 3]" 2
1353 1 67 PHE HA 1 70 PHE H . . 3.700 3.156 3.007 3.420 . 0 0 "[ . 1 . 2 . 3]" 2
1354 1 67 PHE HA 1 70 PHE HB2 . . 3.400 2.279 1.996 2.884 . 0 0 "[ . 1 . 2 . 3]" 2
1355 1 67 PHE HA 1 70 PHE HB3 . . 3.200 2.367 1.979 2.790 . 0 0 "[ . 1 . 2 . 3]" 2
1356 1 67 PHE HA 1 70 PHE QD . . 7.600 3.544 2.961 3.937 . 0 0 "[ . 1 . 2 . 3]" 2
1357 1 67 PHE HA 1 71 GLN H . . 7.000 4.312 4.027 4.669 . 0 0 "[ . 1 . 2 . 3]" 2
1358 1 67 PHE HB2 1 68 GLU H . . 4.000 3.911 3.725 4.042 0.042 30 0 "[ . 1 . 2 . 3]" 2
1359 1 67 PHE HB3 1 68 GLU H . . 3.300 2.841 2.626 3.128 . 0 0 "[ . 1 . 2 . 3]" 2
1360 1 67 PHE HB3 1 69 GLU H . . 6.700 5.449 5.286 5.685 . 0 0 "[ . 1 . 2 . 3]" 2
1361 1 67 PHE QD 1 68 GLU H . . 8.500 4.299 3.725 4.628 . 0 0 "[ . 1 . 2 . 3]" 2
1362 1 67 PHE QD 1 70 PHE HB2 . . 9.000 3.720 3.151 5.160 . 0 0 "[ . 1 . 2 . 3]" 2
1363 1 67 PHE QD 1 70 PHE HB3 . . 6.700 3.159 2.499 4.286 . 0 0 "[ . 1 . 2 . 3]" 2
1364 1 67 PHE QD 1 70 PHE QD . . 9.400 2.914 2.186 4.217 . 0 0 "[ . 1 . 2 . 3]" 2
1365 1 67 PHE QD 1 70 PHE QE . . 10.600 4.362 3.930 5.258 . 0 0 "[ . 1 . 2 . 3]" 2
1366 1 67 PHE QD 1 71 GLN HG3 . . 9.000 4.064 2.662 4.660 . 0 0 "[ . 1 . 2 . 3]" 2
1367 1 67 PHE QD 1 71 GLN HE21 . . 8.100 3.814 2.353 5.969 . 0 0 "[ . 1 . 2 . 3]" 2
1368 1 67 PHE QD 1 71 GLN HE22 . . 8.800 4.501 3.771 5.871 . 0 0 "[ . 1 . 2 . 3]" 2
1369 1 67 PHE QE 1 70 PHE QD . . 11.000 2.816 2.038 4.003 . 0 0 "[ . 1 . 2 . 3]" 2
1370 1 67 PHE QE 1 70 PHE QE . . 11.000 3.421 2.254 4.518 . 0 0 "[ . 1 . 2 . 3]" 2
1371 1 67 PHE QE 1 71 GLN HE21 . . 7.700 2.871 1.953 5.013 . 0 0 "[ . 1 . 2 . 3]" 2
1372 1 67 PHE QE 1 71 GLN HE22 . . 8.000 3.218 2.049 4.902 . 0 0 "[ . 1 . 2 . 3]" 2
1373 1 67 PHE HZ 1 71 GLN HE21 . . 5.500 3.620 2.657 5.489 . 0 0 "[ . 1 . 2 . 3]" 2
1374 1 67 PHE HZ 1 71 GLN HE22 . . 6.200 4.343 2.976 5.987 . 0 0 "[ . 1 . 2 . 3]" 2
1375 1 67 PHE HZ 1 74 VAL MG1 . . 8.000 6.140 5.467 6.521 . 0 0 "[ . 1 . 2 . 3]" 2
1376 1 68 GLU H 1 68 GLU HA . . 3.100 2.748 2.703 2.807 . 0 0 "[ . 1 . 2 . 3]" 2
1377 1 68 GLU H 1 68 GLU HB3 . . 4.300 3.077 2.782 3.504 . 0 0 "[ . 1 . 2 . 3]" 2
1378 1 68 GLU H 1 68 GLU HG2 . . 3.100 2.193 1.922 2.409 . 0 0 "[ . 1 . 2 . 3]" 2
1379 1 68 GLU H 1 68 GLU HG3 . . 3.300 2.459 1.852 3.331 0.031 22 0 "[ . 1 . 2 . 3]" 2
1380 1 68 GLU H 1 69 GLU H . . 3.200 2.861 2.703 2.987 . 0 0 "[ . 1 . 2 . 3]" 2
1381 1 68 GLU H 1 70 PHE H . . 5.500 3.779 3.587 3.925 . 0 0 "[ . 1 . 2 . 3]" 2
1382 1 68 GLU HA 1 69 GLU H . . 5.000 3.638 3.629 3.643 . 0 0 "[ . 1 . 2 . 3]" 2
1383 1 68 GLU HA 1 69 GLU HA . . 6.200 4.707 4.652 4.755 . 0 0 "[ . 1 . 2 . 3]" 2
1384 1 68 GLU HA 1 70 PHE H . . 7.000 4.228 4.044 4.387 . 0 0 "[ . 1 . 2 . 3]" 2
1385 1 68 GLU HA 1 71 GLN H . . 4.300 3.706 3.551 3.946 . 0 0 "[ . 1 . 2 . 3]" 2
1386 1 68 GLU HA 1 71 GLN HA . . 7.000 5.894 5.723 6.179 . 0 0 "[ . 1 . 2 . 3]" 2
1387 1 68 GLU HA 1 71 GLN HB2 . . 7.000 3.953 3.713 4.209 . 0 0 "[ . 1 . 2 . 3]" 2
1388 1 68 GLU HA 1 71 GLN HG2 . . 7.000 4.251 3.754 4.631 . 0 0 "[ . 1 . 2 . 3]" 2
1389 1 68 GLU HA 1 71 GLN HG3 . . 6.000 2.639 2.189 3.009 . 0 0 "[ . 1 . 2 . 3]" 2
1390 1 68 GLU HA 1 71 GLN HE21 . . 6.400 4.987 4.209 5.822 . 0 0 "[ . 1 . 2 . 3]" 2
1391 1 68 GLU HG2 1 69 GLU H . . 6.400 3.504 3.379 3.574 . 0 0 "[ . 1 . 2 . 3]" 2
1392 1 68 GLU HG3 1 69 GLU H . . 6.800 2.939 1.807 4.631 . 0 0 "[ . 1 . 2 . 3]" 2
1393 1 69 GLU H 1 69 GLU HB2 . . 2.800 2.448 2.327 2.537 . 0 0 "[ . 1 . 2 . 3]" 2
1394 1 69 GLU H 1 69 GLU HB3 . . 3.500 3.553 3.533 3.565 0.065 7 0 "[ . 1 . 2 . 3]" 2
1395 1 69 GLU H 1 69 GLU HG2 . . 3.700 3.290 2.062 3.763 0.063 18 0 "[ . 1 . 2 . 3]" 2
1396 1 69 GLU H 1 69 GLU HG3 . . 5.200 2.410 2.106 3.047 . 0 0 "[ . 1 . 2 . 3]" 2
1397 1 69 GLU H 1 70 PHE H . . 3.100 2.565 2.442 2.685 . 0 0 "[ . 1 . 2 . 3]" 2
1398 1 69 GLU H 1 70 PHE HB3 . . 5.100 4.852 4.520 5.051 . 0 0 "[ . 1 . 2 . 3]" 2
1399 1 69 GLU H 1 71 GLN H . . 6.900 4.290 4.122 4.428 . 0 0 "[ . 1 . 2 . 3]" 2
1400 1 69 GLU HA 1 69 GLU HB3 . . 3.100 2.523 2.484 2.588 . 0 0 "[ . 1 . 2 . 3]" 2
1401 1 69 GLU HA 1 69 GLU HG2 . . 3.300 2.650 2.300 3.078 . 0 0 "[ . 1 . 2 . 3]" 2
1402 1 69 GLU HA 1 70 PHE H . . 4.100 3.538 3.499 3.564 . 0 0 "[ . 1 . 2 . 3]" 2
1403 1 69 GLU HA 1 71 GLN H . . 5.200 4.057 3.904 4.177 . 0 0 "[ . 1 . 2 . 3]" 2
1404 1 69 GLU HA 1 72 VAL H . . 7.000 3.547 3.468 3.639 . 0 0 "[ . 1 . 2 . 3]" 2
1405 1 69 GLU HA 1 72 VAL HB . . 7.000 3.797 3.616 4.005 . 0 0 "[ . 1 . 2 . 3]" 2
1406 1 69 GLU HB2 1 69 GLU HG2 . . 3.100 2.969 2.743 3.056 . 0 0 "[ . 1 . 2 . 3]" 2
1407 1 69 GLU HB2 1 69 GLU HG3 . . 3.100 2.552 2.265 2.836 . 0 0 "[ . 1 . 2 . 3]" 2
1408 1 69 GLU HB2 1 70 PHE H . . 3.700 3.000 2.881 3.169 . 0 0 "[ . 1 . 2 . 3]" 2
1409 1 69 GLU HB2 1 70 PHE HB2 . . 6.200 4.512 4.365 4.772 . 0 0 "[ . 1 . 2 . 3]" 2
1410 1 69 GLU HB3 1 70 PHE H . . 3.900 3.975 3.942 4.040 0.140 18 0 "[ . 1 . 2 . 3]" 2
1411 1 69 GLU HG3 1 70 PHE H . . 6.300 4.541 4.316 4.898 . 0 0 "[ . 1 . 2 . 3]" 2
1412 1 70 PHE H 1 70 PHE HB2 . . 2.800 2.182 2.048 2.500 . 0 0 "[ . 1 . 2 . 3]" 2
1413 1 70 PHE H 1 70 PHE HB3 . . 2.800 2.532 2.207 2.694 . 0 0 "[ . 1 . 2 . 3]" 2
1414 1 70 PHE H 1 71 GLN H . . 3.200 2.719 2.633 2.735 . 0 0 "[ . 1 . 2 . 3]" 2
1415 1 70 PHE H 1 71 GLN HG3 . . 7.000 4.328 3.973 4.881 . 0 0 "[ . 1 . 2 . 3]" 2
1416 1 70 PHE HA 1 70 PHE HB2 . . 3.000 2.607 2.463 2.683 . 0 0 "[ . 1 . 2 . 3]" 2
1417 1 70 PHE HA 1 70 PHE QE . . 5.600 4.494 4.311 4.733 . 0 0 "[ . 1 . 2 . 3]" 2
1418 1 70 PHE HA 1 71 GLN H . . 3.800 3.590 3.569 3.605 . 0 0 "[ . 1 . 2 . 3]" 2
1419 1 70 PHE HA 1 72 VAL H . . 5.400 3.519 3.452 3.630 . 0 0 "[ . 1 . 2 . 3]" 2
1420 1 70 PHE HA 1 73 LEU H . . 5.900 3.207 3.120 3.291 . 0 0 "[ . 1 . 2 . 3]" 2
1421 1 70 PHE HA 1 73 LEU HB2 . . 5.400 3.471 3.328 3.653 . 0 0 "[ . 1 . 2 . 3]" 2
1422 1 70 PHE HA 1 73 LEU HB3 . . 7.000 3.793 3.454 4.061 . 0 0 "[ . 1 . 2 . 3]" 2
1423 1 70 PHE HA 1 73 LEU MD1 . . 8.000 5.316 5.042 5.622 . 0 0 "[ . 1 . 2 . 3]" 2
1424 1 70 PHE HA 1 73 LEU MD2 . . 8.000 4.239 4.027 4.473 . 0 0 "[ . 1 . 2 . 3]" 2
1425 1 70 PHE HB2 1 71 GLN H . . 4.300 3.762 3.625 3.984 . 0 0 "[ . 1 . 2 . 3]" 2
1426 1 70 PHE HB3 1 71 GLN H . . 3.600 2.598 2.490 2.717 . 0 0 "[ . 1 . 2 . 3]" 2
1427 1 70 PHE HB3 1 71 GLN HA . . 4.500 3.988 3.861 4.280 . 0 0 "[ . 1 . 2 . 3]" 2
1428 1 70 PHE HB3 1 71 GLN HG3 . . 4.400 3.817 3.405 4.303 . 0 0 "[ . 1 . 2 . 3]" 2
1429 1 70 PHE QD 1 71 GLN H . . 8.800 4.039 3.481 4.343 . 0 0 "[ . 1 . 2 . 3]" 2
1430 1 70 PHE QD 1 71 GLN HA . . 8.400 4.015 3.161 4.521 . 0 0 "[ . 1 . 2 . 3]" 2
1431 1 70 PHE QD 1 71 GLN HE21 . . 7.500 5.095 3.587 6.153 . 0 0 "[ . 1 . 2 . 3]" 2
1432 1 70 PHE QD 1 73 LEU HB2 . . 8.800 4.351 3.886 5.064 . 0 0 "[ . 1 . 2 . 3]" 2
1433 1 70 PHE QD 1 73 LEU MD1 . . 10.000 5.730 5.267 6.281 . 0 0 "[ . 1 . 2 . 3]" 2
1434 1 70 PHE QD 1 73 LEU MD2 . . 10.000 3.852 3.362 4.854 . 0 0 "[ . 1 . 2 . 3]" 2
1435 1 70 PHE QD 1 74 VAL MG1 . . 8.000 5.483 4.798 5.828 . 0 0 "[ . 1 . 2 . 3]" 2
1436 1 70 PHE QD 1 74 VAL MG2 . . 10.000 3.166 2.223 3.586 . 0 0 "[ . 1 . 2 . 3]" 2
1437 1 70 PHE QE 1 73 LEU MD1 . . 10.000 5.969 5.520 6.526 . 0 0 "[ . 1 . 2 . 3]" 2
1438 1 70 PHE QE 1 73 LEU MD2 . . 8.300 3.644 2.959 4.595 . 0 0 "[ . 1 . 2 . 3]" 2
1439 1 70 PHE QE 1 74 VAL MG1 . . 9.800 5.533 4.569 6.174 . 0 0 "[ . 1 . 2 . 3]" 2
1440 1 70 PHE QE 1 74 VAL MG2 . . 10.000 3.296 2.437 3.919 . 0 0 "[ . 1 . 2 . 3]" 2
1441 1 71 GLN H 1 71 GLN HB2 . . 3.100 2.575 2.487 2.723 . 0 0 "[ . 1 . 2 . 3]" 2
1442 1 71 GLN H 1 71 GLN HB3 . . 3.600 3.545 3.529 3.550 . 0 0 "[ . 1 . 2 . 3]" 2
1443 1 71 GLN H 1 71 GLN HG2 . . 3.000 2.575 2.161 2.774 . 0 0 "[ . 1 . 2 . 3]" 2
1444 1 71 GLN H 1 71 GLN HG3 . . 3.400 2.292 1.948 2.794 . 0 0 "[ . 1 . 2 . 3]" 2
1445 1 71 GLN H 1 71 GLN HE21 . . 4.900 4.668 4.251 4.843 . 0 0 "[ . 1 . 2 . 3]" 2
1446 1 71 GLN H 1 71 GLN HE22 . . 5.900 5.831 5.554 5.927 0.027 4 0 "[ . 1 . 2 . 3]" 2
1447 1 71 GLN H 1 72 VAL H . . 3.400 2.690 2.666 2.737 . 0 0 "[ . 1 . 2 . 3]" 2
1448 1 71 GLN H 1 72 VAL HB . . 6.500 4.992 4.873 5.048 . 0 0 "[ . 1 . 2 . 3]" 2
1449 1 71 GLN H 1 72 VAL MG2 . . 8.000 3.639 3.471 3.908 . 0 0 "[ . 1 . 2 . 3]" 2
1450 1 71 GLN H 1 73 LEU H . . 5.700 4.376 4.246 4.432 . 0 0 "[ . 1 . 2 . 3]" 2
1451 1 71 GLN H 1 74 VAL MG1 . . 8.000 5.910 5.604 6.063 . 0 0 "[ . 1 . 2 . 3]" 2
1452 1 71 GLN HA 1 71 GLN HB3 . . 3.100 2.473 2.403 2.521 . 0 0 "[ . 1 . 2 . 3]" 2
1453 1 71 GLN HA 1 71 GLN HG2 . . 4.100 2.419 2.320 2.552 . 0 0 "[ . 1 . 2 . 3]" 2
1454 1 71 GLN HA 1 71 GLN HE21 . . 5.900 4.232 3.182 4.913 . 0 0 "[ . 1 . 2 . 3]" 2
1455 1 71 GLN HA 1 71 GLN HE22 . . 6.100 5.308 4.839 5.615 . 0 0 "[ . 1 . 2 . 3]" 2
1456 1 71 GLN HA 1 72 VAL H . . 4.100 3.442 3.426 3.484 . 0 0 "[ . 1 . 2 . 3]" 2
1457 1 71 GLN HA 1 73 LEU H . . 5.500 4.149 4.066 4.304 . 0 0 "[ . 1 . 2 . 3]" 2
1458 1 71 GLN HA 1 74 VAL H . . 3.900 3.093 3.052 3.133 . 0 0 "[ . 1 . 2 . 3]" 2
1459 1 71 GLN HA 1 74 VAL HB . . 2.900 2.297 2.054 2.498 . 0 0 "[ . 1 . 2 . 3]" 2
1460 1 71 GLN HA 1 74 VAL MG1 . . 5.800 3.606 3.302 3.752 . 0 0 "[ . 1 . 2 . 3]" 2
1461 1 71 GLN HA 1 74 VAL MG2 . . 8.000 2.394 2.087 2.660 . 0 0 "[ . 1 . 2 . 3]" 2
1462 1 71 GLN HB2 1 72 VAL H . . 4.700 3.323 3.202 3.363 . 0 0 "[ . 1 . 2 . 3]" 2
1463 1 71 GLN HB2 1 72 VAL MG2 . . 6.200 3.299 3.156 3.527 . 0 0 "[ . 1 . 2 . 3]" 2
1464 1 71 GLN HB2 1 74 VAL HB . . 5.200 4.831 4.754 4.892 . 0 0 "[ . 1 . 2 . 3]" 2
1465 1 71 GLN HB3 1 72 VAL H . . 4.600 4.255 4.170 4.347 . 0 0 "[ . 1 . 2 . 3]" 2
1466 1 71 GLN HB3 1 72 VAL MG2 . . 8.000 4.470 4.335 4.558 . 0 0 "[ . 1 . 2 . 3]" 2
1467 1 71 GLN HB3 1 74 VAL HB . . 3.800 3.814 3.779 3.834 0.034 6 0 "[ . 1 . 2 . 3]" 2
1468 1 71 GLN HE21 1 71 GLN HG2 . . 3.400 2.364 2.103 2.742 . 0 0 "[ . 1 . 2 . 3]" 2
1469 1 71 GLN HE21 1 74 VAL MG1 . . 8.000 5.392 4.010 6.421 . 0 0 "[ . 1 . 2 . 3]" 2
1470 1 71 GLN HE22 1 74 VAL MG1 . . 8.000 5.867 5.339 6.322 . 0 0 "[ . 1 . 2 . 3]" 2
1471 1 72 VAL H 1 72 VAL HB . . 3.000 2.462 2.385 2.510 . 0 0 "[ . 1 . 2 . 3]" 2
1472 1 72 VAL H 1 72 VAL MG1 . . 4.400 3.722 3.710 3.728 . 0 0 "[ . 1 . 2 . 3]" 2
1473 1 72 VAL H 1 72 VAL MG2 . . 4.000 2.064 1.910 2.318 . 0 0 "[ . 1 . 2 . 3]" 2
1474 1 72 VAL H 1 73 LEU H . . 2.900 2.422 2.385 2.454 . 0 0 "[ . 1 . 2 . 3]" 2
1475 1 72 VAL H 1 73 LEU HA . . 5.700 5.032 5.006 5.060 . 0 0 "[ . 1 . 2 . 3]" 2
1476 1 72 VAL HA 1 72 VAL MG1 . . 3.700 2.327 2.230 2.407 . 0 0 "[ . 1 . 2 . 3]" 2
1477 1 72 VAL HA 1 72 VAL MG2 . . 3.400 2.462 2.318 2.534 . 0 0 "[ . 1 . 2 . 3]" 2
1478 1 72 VAL HA 1 73 LEU H . . 4.300 3.584 3.569 3.601 . 0 0 "[ . 1 . 2 . 3]" 2
1479 1 72 VAL HA 1 74 VAL H . . 5.300 4.249 4.086 4.423 . 0 0 "[ . 1 . 2 . 3]" 2
1480 1 72 VAL HA 1 75 LYS H . . 4.500 3.826 3.681 4.050 . 0 0 "[ . 1 . 2 . 3]" 2
1481 1 72 VAL HB 1 73 LEU H . . 4.000 2.778 2.679 2.852 . 0 0 "[ . 1 . 2 . 3]" 2
1482 1 72 VAL MG1 1 73 LEU H . . 7.800 3.766 3.706 3.810 . 0 0 "[ . 1 . 2 . 3]" 2
1483 1 72 VAL MG1 1 73 LEU HA . . 8.000 3.833 3.754 3.944 . 0 0 "[ . 1 . 2 . 3]" 2
1484 1 73 LEU H 1 73 LEU HB2 . . 3.200 2.262 2.147 2.375 . 0 0 "[ . 1 . 2 . 3]" 2
1485 1 73 LEU H 1 73 LEU HB3 . . 3.300 2.724 2.596 2.853 . 0 0 "[ . 1 . 2 . 3]" 2
1486 1 73 LEU H 1 73 LEU HG . . 4.600 4.538 4.496 4.570 . 0 0 "[ . 1 . 2 . 3]" 2
1487 1 73 LEU H 1 73 LEU MD1 . . 5.700 3.749 3.534 3.945 . 0 0 "[ . 1 . 2 . 3]" 2
1488 1 73 LEU H 1 74 VAL H . . 3.000 2.412 2.341 2.460 . 0 0 "[ . 1 . 2 . 3]" 2
1489 1 73 LEU H 1 77 ILE MD . . 6.500 4.574 4.204 4.948 . 0 0 "[ . 1 . 2 . 3]" 2
1490 1 73 LEU HA 1 73 LEU HB3 . . 3.100 2.993 2.966 3.013 . 0 0 "[ . 1 . 2 . 3]" 2
1491 1 73 LEU HA 1 73 LEU HG . . 3.400 2.910 2.680 3.135 . 0 0 "[ . 1 . 2 . 3]" 2
1492 1 73 LEU HA 1 73 LEU MD1 . . 3.400 1.995 1.888 2.242 . 0 0 "[ . 1 . 2 . 3]" 2
1493 1 73 LEU HA 1 73 LEU MD2 . . 4.600 3.787 3.725 3.851 . 0 0 "[ . 1 . 2 . 3]" 2
1494 1 73 LEU HA 1 74 VAL H . . 4.000 3.553 3.521 3.582 . 0 0 "[ . 1 . 2 . 3]" 2
1495 1 73 LEU HA 1 74 VAL HA . . 5.600 4.869 4.845 4.887 . 0 0 "[ . 1 . 2 . 3]" 2
1496 1 73 LEU HA 1 76 LYS H . . 4.800 2.993 2.885 3.107 . 0 0 "[ . 1 . 2 . 3]" 2
1497 1 73 LEU HA 1 76 LYS QB . . 5.600 3.090 2.744 3.350 . 0 0 "[ . 1 . 2 . 3]" 2
1498 1 73 LEU HA 1 76 LYS HG2 . . 6.300 3.965 3.121 4.689 . 0 0 "[ . 1 . 2 . 3]" 2
1499 1 73 LEU HA 1 76 LYS HG3 . . 7.000 4.188 3.585 4.970 . 0 0 "[ . 1 . 2 . 3]" 2
1500 1 73 LEU HA 1 76 LYS QE . . 8.000 4.680 2.642 5.914 . 0 0 "[ . 1 . 2 . 3]" 2
1501 1 73 LEU HA 1 77 ILE MD . . 7.200 4.101 3.613 4.752 . 0 0 "[ . 1 . 2 . 3]" 2
1502 1 73 LEU HB2 1 73 LEU MD2 . . 3.300 2.330 2.139 2.512 . 0 0 "[ . 1 . 2 . 3]" 2
1503 1 73 LEU HB2 1 74 VAL H . . 3.500 3.825 3.683 3.945 0.445 16 0 "[ . 1 . 2 . 3]" 2
1504 1 73 LEU HB2 1 76 LYS HG2 . . 6.800 6.391 5.689 6.996 0.196 23 0 "[ . 1 . 2 . 3]" 2
1505 1 73 LEU HB2 1 77 ILE MD . . 6.100 4.046 3.742 4.495 . 0 0 "[ . 1 . 2 . 3]" 2
1506 1 73 LEU HB3 1 73 LEU HG . . 2.900 2.441 2.360 2.550 . 0 0 "[ . 1 . 2 . 3]" 2
1507 1 73 LEU HB3 1 74 VAL H . . 4.200 3.005 2.839 3.150 . 0 0 "[ . 1 . 2 . 3]" 2
1508 1 73 LEU HB3 1 74 VAL HA . . 6.000 4.089 4.012 4.166 . 0 0 "[ . 1 . 2 . 3]" 2
1509 1 73 LEU HB3 1 76 LYS QB . . 6.700 4.892 4.648 5.112 . 0 0 "[ . 1 . 2 . 3]" 2
1510 1 73 LEU HB3 1 77 ILE MD . . 5.900 2.629 2.281 3.028 . 0 0 "[ . 1 . 2 . 3]" 2
1511 1 73 LEU HG 1 74 VAL H . . 5.000 4.673 4.483 4.823 . 0 0 "[ . 1 . 2 . 3]" 2
1512 1 73 LEU MD1 1 74 VAL H . . 8.000 4.741 4.569 4.895 . 0 0 "[ . 1 . 2 . 3]" 2
1513 1 73 LEU MD1 1 74 VAL HA . . 8.000 5.498 5.072 5.837 . 0 0 "[ . 1 . 2 . 3]" 2
1514 1 73 LEU MD1 1 76 LYS QB . . 9.000 2.335 1.956 2.954 . 0 0 "[ . 1 . 2 . 3]" 2
1515 1 73 LEU MD1 1 77 ILE MD . . 6.800 3.859 3.169 4.583 . 0 0 "[ . 1 . 2 . 3]" 2
1516 1 73 LEU MD2 1 74 VAL H . . 8.000 4.900 4.705 5.054 . 0 0 "[ . 1 . 2 . 3]" 2
1517 1 73 LEU MD2 1 74 VAL HA . . 8.000 5.386 5.023 5.602 . 0 0 "[ . 1 . 2 . 3]" 2
1518 1 73 LEU MD2 1 77 ILE MD . . 5.500 2.826 2.008 3.619 . 0 0 "[ . 1 . 2 . 3]" 2
1519 1 74 VAL H 1 74 VAL HB . . 2.900 2.164 2.144 2.195 . 0 0 "[ . 1 . 2 . 3]" 2
1520 1 74 VAL H 1 74 VAL MG1 . . 4.200 3.617 3.604 3.637 . 0 0 "[ . 1 . 2 . 3]" 2
1521 1 74 VAL H 1 74 VAL MG2 . . 4.300 2.512 2.412 2.629 . 0 0 "[ . 1 . 2 . 3]" 2
1522 1 74 VAL H 1 75 LYS H . . 3.300 2.742 2.697 2.769 . 0 0 "[ . 1 . 2 . 3]" 2
1523 1 74 VAL H 1 76 LYS H . . 4.900 4.443 4.327 4.554 . 0 0 "[ . 1 . 2 . 3]" 2
1524 1 74 VAL H 1 77 ILE MD . . 8.000 3.493 2.960 4.031 . 0 0 "[ . 1 . 2 . 3]" 2
1525 1 74 VAL HA 1 74 VAL MG1 . . 3.500 2.640 2.570 2.690 . 0 0 "[ . 1 . 2 . 3]" 2
1526 1 74 VAL HA 1 74 VAL MG2 . . 3.600 2.151 2.034 2.272 . 0 0 "[ . 1 . 2 . 3]" 2
1527 1 74 VAL HA 1 75 LYS H . . 3.900 3.514 3.492 3.544 . 0 0 "[ . 1 . 2 . 3]" 2
1528 1 74 VAL HA 1 76 LYS H . . 4.500 4.433 4.303 4.533 0.033 16 0 "[ . 1 . 2 . 3]" 2
1529 1 74 VAL HA 1 77 ILE H . . 4.800 3.192 3.135 3.258 . 0 0 "[ . 1 . 2 . 3]" 2
1530 1 74 VAL HA 1 77 ILE HB . . 4.800 2.198 1.971 2.557 . 0 0 "[ . 1 . 2 . 3]" 2
1531 1 74 VAL HA 1 77 ILE MG . . 8.000 3.526 3.156 4.017 . 0 0 "[ . 1 . 2 . 3]" 2
1532 1 74 VAL HA 1 77 ILE HG13 . . 4.200 3.836 3.016 4.206 0.006 23 0 "[ . 1 . 2 . 3]" 2
1533 1 74 VAL HA 1 77 ILE MD . . 6.400 2.281 1.842 3.050 . 0 0 "[ . 1 . 2 . 3]" 2
1534 1 74 VAL HB 1 75 LYS H . . 4.000 3.194 3.090 3.268 . 0 0 "[ . 1 . 2 . 3]" 2
1535 1 74 VAL HB 1 75 LYS HA . . 5.800 4.745 4.681 4.781 . 0 0 "[ . 1 . 2 . 3]" 2
1536 1 74 VAL MG1 1 75 LYS H . . 7.000 3.419 3.282 3.525 . 0 0 "[ . 1 . 2 . 3]" 2
1537 1 74 VAL MG1 1 75 LYS HA . . 8.000 3.305 3.160 3.458 . 0 0 "[ . 1 . 2 . 3]" 2
1538 1 74 VAL MG2 1 75 LYS H . . 6.700 4.277 4.224 4.311 . 0 0 "[ . 1 . 2 . 3]" 2
1539 1 74 VAL MG2 1 75 LYS HA . . 8.000 5.468 5.439 5.483 . 0 0 "[ . 1 . 2 . 3]" 2
1540 1 74 VAL MG2 1 77 ILE MD . . 9.000 2.822 2.131 3.450 . 0 0 "[ . 1 . 2 . 3]" 2
1541 1 75 LYS H 1 75 LYS HA . . 3.100 2.835 2.829 2.840 . 0 0 "[ . 1 . 2 . 3]" 2
1542 1 75 LYS H 1 75 LYS HB2 . . 3.000 2.120 2.083 2.186 . 0 0 "[ . 1 . 2 . 3]" 2
1543 1 75 LYS H 1 75 LYS HB3 . . 3.000 2.943 2.841 3.004 0.004 1 0 "[ . 1 . 2 . 3]" 2
1544 1 75 LYS H 1 75 LYS HG2 . . 4.500 4.248 4.117 4.512 0.012 1 0 "[ . 1 . 2 . 3]" 2
1545 1 75 LYS H 1 75 LYS HG3 . . 4.400 4.090 3.913 4.386 . 0 0 "[ . 1 . 2 . 3]" 2
1546 1 75 LYS H 1 76 LYS H . . 3.200 2.569 2.532 2.611 . 0 0 "[ . 1 . 2 . 3]" 2
1547 1 75 LYS H 1 77 ILE H . . 4.200 3.716 3.498 3.977 . 0 0 "[ . 1 . 2 . 3]" 2
1548 1 75 LYS HA 1 76 LYS H . . 3.900 3.612 3.597 3.622 . 0 0 "[ . 1 . 2 . 3]" 2
1549 1 75 LYS HA 1 78 SER H . . 4.300 3.459 3.293 3.704 . 0 0 "[ . 1 . 2 . 3]" 2
1550 1 75 LYS HA 1 78 SER QB . . 4.700 2.699 2.056 3.774 . 0 0 "[ . 1 . 2 . 3]" 2
1551 1 75 LYS HA 1 79 GLN HE21 . . 5.700 5.177 4.279 5.719 0.019 29 0 "[ . 1 . 2 . 3]" 2
1552 1 75 LYS HB2 1 75 LYS HG2 . . 3.100 2.941 2.712 3.050 . 0 0 "[ . 1 . 2 . 3]" 2
1553 1 75 LYS HB2 1 75 LYS HG3 . . 2.700 2.309 2.267 2.572 . 0 0 "[ . 1 . 2 . 3]" 2
1554 1 75 LYS HB2 1 75 LYS QD . . 3.700 2.976 2.713 3.262 . 0 0 "[ . 1 . 2 . 3]" 2
1555 1 75 LYS HB2 1 76 LYS H . . 3.600 3.490 3.386 3.582 . 0 0 "[ . 1 . 2 . 3]" 2
1556 1 75 LYS HB2 1 79 GLN HE21 . . 6.800 6.493 5.845 6.792 . 0 0 "[ . 1 . 2 . 3]" 2
1557 1 75 LYS HB3 1 75 LYS HG3 . . 3.000 2.941 2.712 3.051 0.051 1 0 "[ . 1 . 2 . 3]" 2
1558 1 75 LYS HB3 1 76 LYS H . . 3.500 2.771 2.659 2.889 . 0 0 "[ . 1 . 2 . 3]" 2
1559 1 75 LYS HB3 1 79 GLN HE21 . . 7.000 5.223 4.674 5.769 . 0 0 "[ . 1 . 2 . 3]" 2
1560 1 75 LYS QE 1 76 LYS HG3 . . 7.900 6.157 4.802 6.959 . 0 0 "[ . 1 . 2 . 3]" 2
1561 1 76 LYS H 1 76 LYS QB . . 3.800 2.345 2.257 2.456 . 0 0 "[ . 1 . 2 . 3]" 2
1562 1 76 LYS H 1 76 LYS HG2 . . 3.800 2.901 2.065 3.851 0.051 16 0 "[ . 1 . 2 . 3]" 2
1563 1 76 LYS H 1 76 LYS HG3 . . 4.400 3.384 2.755 3.676 . 0 0 "[ . 1 . 2 . 3]" 2
1564 1 76 LYS H 1 76 LYS HD2 . . 4.600 3.570 1.948 4.574 . 0 0 "[ . 1 . 2 . 3]" 2
1565 1 76 LYS H 1 76 LYS HD3 . . 4.200 3.431 1.948 4.193 . 0 0 "[ . 1 . 2 . 3]" 2
1566 1 76 LYS H 1 77 ILE H . . 3.000 2.512 2.459 2.571 . 0 0 "[ . 1 . 2 . 3]" 2
1567 1 76 LYS H 1 78 SER H . . 5.100 3.923 3.581 4.606 . 0 0 "[ . 1 . 2 . 3]" 2
1568 1 76 LYS H 1 79 GLN H . . 6.600 4.820 4.563 5.074 . 0 0 "[ . 1 . 2 . 3]" 2
1569 1 76 LYS HA 1 76 LYS HG2 . . 3.500 3.071 2.766 3.526 0.026 21 0 "[ . 1 . 2 . 3]" 2
1570 1 76 LYS HA 1 76 LYS HD2 . . 4.200 2.947 2.208 3.931 . 0 0 "[ . 1 . 2 . 3]" 2
1571 1 76 LYS HA 1 76 LYS HD3 . . 4.400 3.063 2.334 4.368 . 0 0 "[ . 1 . 2 . 3]" 2
1572 1 76 LYS HA 1 77 ILE H . . 4.200 3.527 3.397 3.611 . 0 0 "[ . 1 . 2 . 3]" 2
1573 1 76 LYS HA 1 77 ILE HA . . 4.900 4.702 4.629 4.720 . 0 0 "[ . 1 . 2 . 3]" 2
1574 1 76 LYS HA 1 78 SER H . . 5.200 3.813 3.543 4.546 . 0 0 "[ . 1 . 2 . 3]" 2
1575 1 76 LYS HA 1 79 GLN H . . 6.800 3.267 3.106 3.401 . 0 0 "[ . 1 . 2 . 3]" 2
1576 1 76 LYS HA 1 79 GLN HB2 . . 4.000 3.191 2.882 4.032 0.032 29 0 "[ . 1 . 2 . 3]" 2
1577 1 76 LYS HA 1 79 GLN HB3 . . 3.900 3.558 2.332 3.911 0.011 6 0 "[ . 1 . 2 . 3]" 2
1578 1 76 LYS QB 1 77 ILE H . . 5.000 2.966 2.643 3.356 . 0 0 "[ . 1 . 2 . 3]" 2
1579 1 76 LYS QB 1 77 ILE HA . . 5.500 4.050 3.983 4.150 . 0 0 "[ . 1 . 2 . 3]" 2
1580 1 76 LYS QB 1 79 GLN H . . 6.100 4.901 4.748 5.130 . 0 0 "[ . 1 . 2 . 3]" 2
1581 1 76 LYS HD3 1 76 LYS HG2 . . 3.000 2.472 2.268 2.992 . 0 0 "[ . 1 . 2 . 3]" 2
1582 1 76 LYS HD3 1 76 LYS HG3 . . 3.100 2.986 2.744 3.030 . 0 0 "[ . 1 . 2 . 3]" 2
1583 1 76 LYS HE2 1 76 LYS HG3 . . 4.400 2.826 2.037 4.078 . 0 0 "[ . 1 . 2 . 3]" 2
1584 1 77 ILE H 1 77 ILE HA . . 3.100 2.856 2.850 2.902 . 0 0 "[ . 1 . 2 . 3]" 2
1585 1 77 ILE H 1 77 ILE HB . . 3.200 2.297 2.143 2.485 . 0 0 "[ . 1 . 2 . 3]" 2
1586 1 77 ILE H 1 77 ILE MG . . 4.300 3.664 3.567 3.728 . 0 0 "[ . 1 . 2 . 3]" 2
1587 1 77 ILE H 1 77 ILE HG12 . . 4.100 3.831 3.590 4.056 . 0 0 "[ . 1 . 2 . 3]" 2
1588 1 77 ILE H 1 77 ILE HG13 . . 2.800 2.485 2.103 2.807 0.007 13 0 "[ . 1 . 2 . 3]" 2
1589 1 77 ILE H 1 77 ILE MD . . 5.500 3.237 2.821 3.675 . 0 0 "[ . 1 . 2 . 3]" 2
1590 1 77 ILE H 1 78 SER H . . 3.500 2.493 2.261 2.579 . 0 0 "[ . 1 . 2 . 3]" 2
1591 1 77 ILE H 1 78 SER QB . . 6.200 4.169 3.867 4.322 . 0 0 "[ . 1 . 2 . 3]" 2
1592 1 77 ILE H 1 79 GLN H . . 4.600 4.160 3.660 4.401 . 0 0 "[ . 1 . 2 . 3]" 2
1593 1 77 ILE HA 1 77 ILE HB . . 3.100 3.008 2.983 3.021 . 0 0 "[ . 1 . 2 . 3]" 2
1594 1 77 ILE HA 1 78 SER H . . 3.700 3.452 3.365 3.630 . 0 0 "[ . 1 . 2 . 3]" 2
1595 1 77 ILE HA 1 79 GLN H . . 7.000 4.536 4.226 4.730 . 0 0 "[ . 1 . 2 . 3]" 2
1596 1 77 ILE HB 1 77 ILE MD . . 3.700 2.176 1.975 2.330 . 0 0 "[ . 1 . 2 . 3]" 2
1597 1 77 ILE HB 1 78 SER H . . 4.100 3.291 2.643 3.543 . 0 0 "[ . 1 . 2 . 3]" 2
1598 1 77 ILE HB 1 79 GLN H . . 6.200 5.461 4.837 5.717 . 0 0 "[ . 1 . 2 . 3]" 2
1599 1 77 ILE HG12 1 77 ILE MG . . 3.300 2.253 2.073 2.462 . 0 0 "[ . 1 . 2 . 3]" 2
1600 1 77 ILE MG 1 78 SER H . . 8.000 3.705 2.746 4.156 . 0 0 "[ . 1 . 2 . 3]" 2
1601 1 77 ILE MG 1 78 SER HA . . 8.000 3.606 2.974 4.089 . 0 0 "[ . 1 . 2 . 3]" 2
1602 1 77 ILE HG12 1 78 SER H . . 7.000 5.387 5.095 5.563 . 0 0 "[ . 1 . 2 . 3]" 2
1603 1 77 ILE HG13 1 78 SER H . . 7.000 4.567 4.365 4.745 . 0 0 "[ . 1 . 2 . 3]" 2
1604 1 78 SER H 1 79 GLN H . . 3.300 2.341 2.234 2.551 . 0 0 "[ . 1 . 2 . 3]" 2
1605 1 78 SER H 1 79 GLN HB3 . . 5.400 5.135 4.195 5.400 0.000 16 0 "[ . 1 . 2 . 3]" 2
1606 1 78 SER H 1 79 GLN HE21 . . 5.500 5.443 5.259 5.540 0.040 29 0 "[ . 1 . 2 . 3]" 2
1607 1 78 SER HA 1 79 GLN H . . 3.700 3.607 3.575 3.629 . 0 0 "[ . 1 . 2 . 3]" 2
1608 1 78 SER QB 1 79 GLN H . . 5.300 2.709 2.468 3.428 . 0 0 "[ . 1 . 2 . 3]" 2
1609 1 78 SER QB 1 79 GLN HA . . 6.100 3.928 3.719 4.563 . 0 0 "[ . 1 . 2 . 3]" 2
1610 1 78 SER QB 1 79 GLN HB2 . . 6.900 4.031 3.761 4.903 . 0 0 "[ . 1 . 2 . 3]" 2
1611 1 79 GLN H 1 79 GLN HB2 . . 3.700 2.118 2.050 2.810 . 0 0 "[ . 1 . 2 . 3]" 2
1612 1 79 GLN H 1 79 GLN HB3 . . 4.300 2.990 2.213 3.130 . 0 0 "[ . 1 . 2 . 3]" 2
1613 1 79 GLN H 1 79 GLN HE21 . . 4.100 3.645 3.417 3.909 . 0 0 "[ . 1 . 2 . 3]" 2
1614 1 79 GLN H 1 79 GLN HE22 . . 5.000 4.703 4.459 5.004 0.004 26 0 "[ . 1 . 2 . 3]" 2
1615 1 79 GLN HA 1 79 GLN HE21 . . 5.400 3.800 3.236 4.621 . 0 0 "[ . 1 . 2 . 3]" 2
1616 1 79 GLN HA 1 79 GLN HE22 . . 6.200 4.527 3.463 5.461 . 0 0 "[ . 1 . 2 . 3]" 2
1617 1 79 GLN HB2 1 79 GLN HE21 . . 4.600 2.092 1.949 3.307 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 229
_Distance_constraint_stats_list.Viol_total 409.603
_Distance_constraint_stats_list.Viol_max 1.942
_Distance_constraint_stats_list.Viol_rms 0.0948
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.0596
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 7 PRO 0.302 0.087 14 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.016 0.005 19 0 "[ . 1 . 2 . 3]"
1 10 LEU 0.309 0.087 14 0 "[ . 1 . 2 . 3]"
1 13 ILE 0.016 0.005 19 0 "[ . 1 . 2 . 3]"
1 14 PHE 0.095 0.036 24 0 "[ . 1 . 2 . 3]"
1 15 GLU 0.137 0.039 12 0 "[ . 1 . 2 . 3]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 ALA 0.088 0.036 24 0 "[ . 1 . 2 . 3]"
1 19 ALA 0.137 0.039 12 0 "[ . 1 . 2 . 3]"
1 21 GLU 0.212 0.084 24 0 "[ . 1 . 2 . 3]"
1 23 ASP 3.854 1.942 19 1 "[ . 1 . +2 . 3]"
1 25 ASN 3.854 1.942 19 1 "[ . 1 . +2 . 3]"
1 28 SER 1.315 0.091 24 0 "[ . 1 . 2 . 3]"
1 31 GLU 0.212 0.084 24 0 "[ . 1 . 2 . 3]"
1 32 LEU 2.246 0.091 24 0 "[ . 1 . 2 . 3]"
1 35 LEU 5.748 0.204 22 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.931 0.072 16 0 "[ . 1 . 2 . 3]"
1 39 GLU 5.748 0.204 22 0 "[ . 1 . 2 . 3]"
1 42 SER 0.290 0.034 25 0 "[ . 1 . 2 . 3]"
1 45 LYS 0.290 0.034 25 0 "[ . 1 . 2 . 3]"
1 49 THR 0.197 0.031 7 0 "[ . 1 . 2 . 3]"
1 53 LEU 0.710 0.036 14 0 "[ . 1 . 2 . 3]"
1 57 LEU 0.513 0.036 14 0 "[ . 1 . 2 . 3]"
1 75 LYS 0.044 0.011 1 0 "[ . 1 . 2 . 3]"
1 79 GLN 0.044 0.011 1 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 7 PRO O 1 10 LEU H . . 2.200 2.210 2.199 2.287 0.087 14 0 "[ . 1 . 2 . 3]" 3
2 1 7 PRO O 1 10 LEU N . 2.600 3.300 2.870 2.757 2.990 . 0 0 "[ . 1 . 2 . 3]" 3
3 1 9 GLU O 1 13 ILE H . . 2.200 1.679 1.601 1.934 . 0 0 "[ . 1 . 2 . 3]" 3
4 1 9 GLU O 1 13 ILE N . 2.600 3.300 2.661 2.595 2.919 0.005 19 0 "[ . 1 . 2 . 3]" 3
5 1 10 LEU O 1 14 PHE H . . 2.200 1.815 1.625 1.977 . 0 0 "[ . 1 . 2 . 3]" 3
6 1 10 LEU O 1 14 PHE N . 2.600 3.300 2.757 2.593 2.896 0.007 30 0 "[ . 1 . 2 . 3]" 3
7 1 14 PHE O 1 17 TYR H . . 2.200 2.086 2.018 2.162 . 0 0 "[ . 1 . 2 . 3]" 3
8 1 14 PHE O 1 17 TYR N . 2.600 3.300 2.916 2.872 2.971 . 0 0 "[ . 1 . 2 . 3]" 3
9 1 14 PHE O 1 18 ALA H . . 2.200 1.684 1.597 1.837 . 0 0 "[ . 1 . 2 . 3]" 3
10 1 14 PHE O 1 18 ALA N . 2.600 3.300 2.640 2.564 2.756 0.036 24 0 "[ . 1 . 2 . 3]" 3
11 1 15 GLU O 1 19 ALA H . . 2.200 1.859 1.654 2.195 . 0 0 "[ . 1 . 2 . 3]" 3
12 1 15 GLU O 1 19 ALA N . 2.600 3.300 2.667 2.561 2.867 0.039 12 0 "[ . 1 . 2 . 3]" 3
13 1 21 GLU H 1 31 GLU OE2 . . 2.200 1.817 1.675 2.284 0.084 24 0 "[ . 1 . 2 . 3]" 3
14 1 21 GLU N 1 31 GLU OE2 . 2.600 3.300 2.704 2.568 3.132 0.032 12 0 "[ . 1 . 2 . 3]" 3
15 1 23 ASP OD1 1 25 ASN H . . 2.200 2.242 1.923 4.142 1.942 19 1 "[ . 1 . +2 . 3]" 3
16 1 23 ASP OD1 1 25 ASN N . 2.600 3.300 3.108 2.821 5.102 1.802 19 1 "[ . 1 . +2 . 3]" 3
17 1 28 SER O 1 32 LEU H . . 2.200 1.562 1.516 1.594 . 0 0 "[ . 1 . 2 . 3]" 3
18 1 28 SER O 1 32 LEU N . 2.600 3.300 2.556 2.509 2.589 0.091 24 0 "[ . 1 . 2 . 3]" 3
19 1 32 LEU O 1 36 LEU H . . 2.200 1.641 1.591 1.689 . 0 0 "[ . 1 . 2 . 3]" 3
20 1 32 LEU O 1 36 LEU N . 2.600 3.300 2.569 2.528 2.599 0.072 16 0 "[ . 1 . 2 . 3]" 3
21 1 35 LEU O 1 39 GLU H . . 2.200 1.671 1.636 1.722 . 0 0 "[ . 1 . 2 . 3]" 3
22 1 35 LEU O 1 39 GLU N . 2.600 3.300 2.408 2.396 2.422 0.204 22 0 "[ . 1 . 2 . 3]" 3
23 1 42 SER O 1 45 LYS H . . 2.200 2.198 1.943 2.234 0.034 25 0 "[ . 1 . 2 . 3]" 3
24 1 42 SER O 1 45 LYS N . 2.600 3.300 3.020 2.847 3.075 . 0 0 "[ . 1 . 2 . 3]" 3
25 1 49 THR O 1 53 LEU H . . 2.200 1.676 1.614 1.817 . 0 0 "[ . 1 . 2 . 3]" 3
26 1 49 THR O 1 53 LEU N . 2.600 3.300 2.618 2.569 2.738 0.031 7 0 "[ . 1 . 2 . 3]" 3
27 1 53 LEU O 1 57 LEU H . . 2.200 1.604 1.580 1.659 . 0 0 "[ . 1 . 2 . 3]" 3
28 1 53 LEU O 1 57 LEU N . 2.600 3.300 2.589 2.564 2.657 0.036 14 0 "[ . 1 . 2 . 3]" 3
29 1 75 LYS O 1 79 GLN H . . 2.200 2.123 1.682 2.211 0.011 1 0 "[ . 1 . 2 . 3]" 3
30 1 75 LYS O 1 79 GLN N . 2.600 3.300 3.042 2.650 3.167 . 0 0 "[ . 1 . 2 . 3]" 3
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