NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436016 |
2k0b   |
15591 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k0b
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 919
_Distance_constraint_stats_list.Viol_count 1654
_Distance_constraint_stats_list.Viol_total 4158.938
_Distance_constraint_stats_list.Viol_max 0.391
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0838
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 0.615 0.137 19 0 "[ . 1 . 2 . 3]"
1 4 PRO 1.077 0.140 15 0 "[ . 1 . 2 . 3]"
1 5 GLU 6.188 0.348 16 0 "[ . 1 . 2 . 3]"
1 6 ALA 9.212 0.348 16 0 "[ . 1 . 2 . 3]"
1 7 ASP 5.806 0.301 29 0 "[ . 1 . 2 . 3]"
1 8 PRO 2.480 0.193 4 0 "[ . 1 . 2 . 3]"
1 9 ARG 5.276 0.227 28 0 "[ . 1 . 2 . 3]"
1 10 LEU 9.602 0.391 30 0 "[ . 1 . 2 . 3]"
1 11 ILE 0.346 0.136 1 0 "[ . 1 . 2 . 3]"
1 12 GLU 5.305 0.301 29 0 "[ . 1 . 2 . 3]"
1 13 SER 0.155 0.057 16 0 "[ . 1 . 2 . 3]"
1 14 LEU 11.814 0.366 17 0 "[ . 1 . 2 . 3]"
1 15 SER 22.514 0.391 30 0 "[ . 1 . 2 . 3]"
1 16 GLN 5.171 0.179 27 0 "[ . 1 . 2 . 3]"
1 17 MET 0.788 0.144 17 0 "[ . 1 . 2 . 3]"
1 18 LEU 5.560 0.267 30 0 "[ . 1 . 2 . 3]"
1 19 SER 0.148 0.048 7 0 "[ . 1 . 2 . 3]"
1 20 MET 0.250 0.050 1 0 "[ . 1 . 2 . 3]"
1 21 GLY 1.474 0.142 14 0 "[ . 1 . 2 . 3]"
1 22 PHE 8.918 0.310 27 0 "[ . 1 . 2 . 3]"
1 23 SER 13.620 0.310 27 0 "[ . 1 . 2 . 3]"
1 24 ASP 1.549 0.136 9 0 "[ . 1 . 2 . 3]"
1 25 GLU 12.479 0.250 19 0 "[ . 1 . 2 . 3]"
1 26 GLY 3.745 0.228 16 0 "[ . 1 . 2 . 3]"
1 27 GLY 3.135 0.140 6 0 "[ . 1 . 2 . 3]"
1 28 TRP 8.790 0.248 27 0 "[ . 1 . 2 . 3]"
1 29 LEU 9.002 0.291 15 0 "[ . 1 . 2 . 3]"
1 30 THR 1.686 0.152 30 0 "[ . 1 . 2 . 3]"
1 31 ARG 4.226 0.248 27 0 "[ . 1 . 2 . 3]"
1 32 LEU 8.839 0.247 1 0 "[ . 1 . 2 . 3]"
1 33 LEU 1.447 0.130 15 0 "[ . 1 . 2 . 3]"
1 34 GLN 7.740 0.313 25 0 "[ . 1 . 2 . 3]"
1 35 THR 0.561 0.092 14 0 "[ . 1 . 2 . 3]"
1 36 LYS 1.152 0.158 24 0 "[ . 1 . 2 . 3]"
1 37 ASN 1.895 0.193 3 0 "[ . 1 . 2 . 3]"
1 38 TYR 2.891 0.167 30 0 "[ . 1 . 2 . 3]"
1 39 ASP 11.666 0.313 25 0 "[ . 1 . 2 . 3]"
1 40 ILE 9.289 0.279 28 0 "[ . 1 . 2 . 3]"
1 41 GLY 10.948 0.200 25 0 "[ . 1 . 2 . 3]"
1 42 ALA 10.839 0.279 28 0 "[ . 1 . 2 . 3]"
1 43 ALA 5.077 0.135 22 0 "[ . 1 . 2 . 3]"
1 44 LEU 6.108 0.194 28 0 "[ . 1 . 2 . 3]"
1 45 ASP 1.825 0.129 26 0 "[ . 1 . 2 . 3]"
1 46 THR 5.286 0.149 12 0 "[ . 1 . 2 . 3]"
1 47 ILE 9.918 0.291 15 0 "[ . 1 . 2 . 3]"
1 48 GLN 7.790 0.195 6 0 "[ . 1 . 2 . 3]"
1 49 TYR 2.001 0.162 25 0 "[ . 1 . 2 . 3]"
1 50 SER 3.049 0.241 20 0 "[ . 1 . 2 . 3]"
1 51 LYS 4.562 0.260 27 0 "[ . 1 . 2 . 3]"
1 52 HIS 2.201 0.260 27 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 3 PRO HA 1 3 PRO HD3 2.800 . 5.300 3.769 3.325 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 3 PRO HD3 1 3 PRO HG2 2.800 . 5.300 2.798 2.673 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 PRO HD3 1 6 ALA H 5.000 . 7.500 6.426 5.250 7.637 0.137 19 0 "[ . 1 . 2 . 3]" 1
4 1 3 PRO HD3 1 7 ASP HB3 6.000 . 8.500 7.437 4.767 8.541 0.041 25 0 "[ . 1 . 2 . 3]" 1
5 1 4 PRO HA 1 5 GLU H 2.500 . 3.000 2.823 2.135 3.107 0.107 13 0 "[ . 1 . 2 . 3]" 1
6 1 4 PRO HA 1 6 ALA H 5.000 . 5.500 3.951 3.288 5.543 0.043 3 0 "[ . 1 . 2 . 3]" 1
7 1 4 PRO HA 1 7 ASP H 5.000 . 5.500 4.413 3.138 5.640 0.140 15 0 "[ . 1 . 2 . 3]" 1
8 1 4 PRO HD2 1 4 PRO HG2 2.800 . 5.300 2.312 2.265 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 PRO HD3 1 7 ASP HB3 6.000 . 8.500 6.650 4.596 8.546 0.046 24 0 "[ . 1 . 2 . 3]" 1
10 1 5 GLU H 1 5 GLU HA 2.800 . 3.300 2.830 2.262 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 5 GLU H 1 5 GLU HB2 2.500 . 4.500 3.006 2.390 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 5 GLU H 1 5 GLU HB3 2.800 . 4.800 3.603 2.530 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 5 GLU H 1 5 GLU HG2 2.800 . 5.300 3.996 2.368 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 5 GLU H 1 6 ALA H 4.000 . 4.500 2.250 1.680 4.302 0.120 20 0 "[ . 1 . 2 . 3]" 1
15 1 5 GLU H 1 6 ALA MB 5.000 . 7.500 3.928 3.325 5.302 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 5 GLU H 1 8 PRO HD2 5.000 . 7.500 7.506 6.884 7.635 0.135 24 0 "[ . 1 . 2 . 3]" 1
17 1 5 GLU H 1 8 PRO HD3 5.000 . 7.500 7.462 6.712 7.693 0.193 4 0 "[ . 1 . 2 . 3]" 1
18 1 5 GLU HA 1 6 ALA H 2.500 . 3.000 2.941 2.100 3.348 0.348 16 0 "[ . 1 . 2 . 3]" 1
19 1 5 GLU HB2 1 6 ALA H 4.000 . 6.000 4.015 3.391 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 5 GLU HB3 1 6 ALA H 2.800 . 4.800 4.201 2.990 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 5 GLU HG2 1 6 ALA H 4.000 . 6.500 4.801 3.180 5.823 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 6 ALA H 1 6 ALA HA 2.800 . 3.300 2.755 2.271 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 6 ALA H 1 6 ALA MB 2.500 . 5.000 2.835 2.494 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 6 ALA H 1 7 ASP HB3 5.000 . 7.000 4.306 3.605 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 6 ALA H 1 9 ARG HB2 5.000 . 7.000 7.117 6.949 7.227 0.227 28 0 "[ . 1 . 2 . 3]" 1
26 1 6 ALA H 1 11 ILE MD 4.000 . 6.500 5.816 4.488 6.528 0.028 13 0 "[ . 1 . 2 . 3]" 1
27 1 6 ALA HA 1 7 ASP H 2.500 . 3.000 2.761 2.408 3.047 0.047 23 0 "[ . 1 . 2 . 3]" 1
28 1 6 ALA HA 1 7 ASP HB3 5.000 . 7.000 5.307 4.842 6.208 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 6 ALA HA 1 9 ARG HB2 6.000 . 8.000 7.594 6.391 8.058 0.058 11 0 "[ . 1 . 2 . 3]" 1
30 1 6 ALA MB 1 7 ASP H 2.800 . 5.300 3.614 3.463 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 6 ALA MB 1 14 LEU H 5.000 . 7.500 7.477 6.051 7.665 0.165 5 0 "[ . 1 . 2 . 3]" 1
32 1 7 ASP H 1 7 ASP HA 2.800 . 3.300 2.896 2.841 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 7 ASP H 1 7 ASP HB3 2.500 . 4.500 2.681 2.327 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 7 ASP H 1 8 PRO HD3 4.000 . 6.500 4.928 4.790 5.205 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 7 ASP H 1 10 LEU H 5.000 . 5.500 3.367 3.081 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 7 ASP H 1 10 LEU MD2 4.000 . 6.500 5.008 3.301 5.693 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 7 ASP H 1 11 ILE H 5.000 . 5.500 3.392 3.174 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 7 ASP H 1 12 GLU H 5.000 . 5.500 5.662 5.545 5.792 0.292 9 0 "[ . 1 . 2 . 3]" 1
39 1 7 ASP H 1 38 TYR QE 5.000 . 7.500 6.967 5.707 7.535 0.035 17 0 "[ . 1 . 2 . 3]" 1
40 1 7 ASP HA 1 9 ARG H 5.000 . 5.500 3.976 3.576 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 7 ASP HB3 1 9 ARG H 5.000 . 7.000 2.949 1.795 4.398 0.005 18 0 "[ . 1 . 2 . 3]" 1
42 1 7 ASP HB3 1 10 LEU H 4.000 . 6.000 2.645 1.936 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 7 ASP HB3 1 12 GLU H 5.000 . 7.000 6.035 5.485 7.301 0.301 29 0 "[ . 1 . 2 . 3]" 1
44 1 8 PRO HA 1 8 PRO HB3 2.800 . 5.300 2.310 2.280 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 8 PRO HA 1 9 ARG H 5.000 . 5.500 3.472 3.363 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 8 PRO HA 1 10 LEU H 5.000 . 5.500 4.687 4.278 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 8 PRO HA 1 11 ILE H 4.000 . 4.500 3.971 3.469 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 8 PRO HA 1 11 ILE HB 4.000 . 6.500 4.026 2.525 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 8 PRO HA 1 11 ILE MD 4.000 . 6.500 4.356 1.949 5.913 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 8 PRO HB3 1 9 ARG H 5.000 . 7.000 4.156 3.948 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 8 PRO HD3 1 8 PRO HG2 2.800 . 5.300 2.776 2.689 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 8 PRO HD3 1 9 ARG H 5.000 . 7.500 4.135 3.753 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 9 ARG H 1 9 ARG HB2 4.000 . 6.000 2.429 2.317 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 9 ARG H 1 9 ARG HB3 4.000 . 6.000 3.600 3.548 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 9 ARG H 1 9 ARG HE 5.000 . 7.500 4.951 2.828 6.078 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 9 ARG H 1 9 ARG HG2 4.000 . 6.500 3.305 2.105 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 9 ARG H 1 10 LEU H 2.800 . 3.300 2.402 2.182 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 ARG H 1 11 ILE H 5.000 . 5.500 3.687 3.480 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 9 ARG H 1 38 TYR HB2 5.000 . 7.000 6.597 5.086 7.142 0.142 28 0 "[ . 1 . 2 . 3]" 1
60 1 9 ARG H 1 38 TYR QD 5.000 . 7.500 5.563 4.380 6.183 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 9 ARG HA 1 9 ARG HE 5.000 . 7.500 4.809 3.161 5.753 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 9 ARG HA 1 10 LEU H 4.000 . 4.500 3.546 3.466 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 9 ARG HA 1 12 GLU H 4.000 . 4.500 4.095 3.657 4.587 0.087 25 0 "[ . 1 . 2 . 3]" 1
64 1 9 ARG HB2 1 9 ARG HE 4.000 . 6.500 3.550 1.877 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 9 ARG HB2 1 12 GLU H 5.000 . 7.000 5.549 5.244 5.913 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 9 ARG HB3 1 9 ARG HE 4.000 . 6.500 3.426 2.171 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 9 ARG HB3 1 10 LEU H 4.000 . 6.000 3.658 3.221 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 9 ARG HD2 1 9 ARG HG2 2.800 . 5.300 2.656 2.401 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 9 ARG HD3 1 10 LEU H 5.000 . 7.500 5.524 3.823 6.492 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 9 ARG HE 1 9 ARG HG2 4.000 . 6.500 3.276 2.156 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 9 ARG HE 1 34 GLN HE21 5.000 . 7.500 7.320 5.818 7.636 0.136 9 0 "[ . 1 . 2 . 3]" 1
72 1 9 ARG HE 1 38 TYR QD 5.000 . 7.500 3.555 1.795 5.142 0.005 17 0 "[ . 1 . 2 . 3]" 1
73 1 9 ARG HG2 1 12 GLU H 5.000 . 7.500 6.655 6.197 7.377 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 9 ARG HG2 1 13 SER H 5.000 . 7.500 6.816 6.175 7.506 0.006 25 0 "[ . 1 . 2 . 3]" 1
75 1 10 LEU H 1 10 LEU HB2 2.800 . 4.800 2.407 2.308 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 10 LEU H 1 10 LEU HB3 2.800 . 4.800 3.600 3.538 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 10 LEU H 1 10 LEU MD1 2.800 . 5.300 3.633 2.076 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 10 LEU H 1 10 LEU MD2 2.800 . 5.300 3.628 2.158 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 10 LEU H 1 10 LEU HG 4.000 . 6.500 2.792 2.100 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 10 LEU H 1 11 ILE H 4.000 . 4.500 2.315 2.101 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 10 LEU H 1 11 ILE HA 5.000 . 5.500 4.952 4.801 5.300 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 10 LEU H 1 11 ILE HB 5.000 . 7.500 4.633 4.079 5.922 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 10 LEU H 1 11 ILE MD 5.000 . 7.500 5.972 4.649 6.551 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 10 LEU H 1 11 ILE MG 5.000 . 7.500 4.177 3.638 5.642 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 10 LEU H 1 12 GLU H 5.000 . 5.500 3.687 3.280 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 10 LEU H 1 14 LEU H 5.000 . 5.500 4.891 4.703 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 10 LEU H 1 15 SER H 5.000 . 5.500 5.787 5.700 5.891 0.391 30 0 "[ . 1 . 2 . 3]" 1
88 1 10 LEU H 1 38 TYR QD 4.000 . 6.500 4.943 3.965 5.639 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 10 LEU H 1 38 TYR QE 5.000 . 7.500 5.197 4.060 6.036 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 LEU HA 1 10 LEU MD2 2.800 . 5.300 2.145 1.773 3.485 0.027 8 0 "[ . 1 . 2 . 3]" 1
91 1 10 LEU HA 1 11 ILE H 5.000 . 5.500 3.443 3.370 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 10 LEU HA 1 38 TYR QD 4.000 . 6.500 4.181 3.444 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 10 LEU HA 1 38 TYR QE 5.000 . 7.500 5.251 4.389 5.943 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 10 LEU HB2 1 38 TYR QD 6.000 . 8.500 5.549 4.847 6.310 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 10 LEU HB2 1 38 TYR QE 4.000 . 6.500 5.406 4.471 6.342 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 10 LEU HB3 1 11 ILE H 4.000 . 6.000 3.959 3.610 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 10 LEU HB3 1 38 TYR QE 5.000 . 7.500 5.564 4.655 6.416 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 10 LEU MD1 1 11 ILE H 4.000 . 6.500 4.855 3.882 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 10 LEU MD1 1 34 GLN HE22 5.000 . 7.500 3.858 2.193 5.704 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 LEU MD1 1 38 TYR H 5.000 . 7.500 7.285 6.355 7.634 0.134 24 0 "[ . 1 . 2 . 3]" 1
101 1 10 LEU MD1 1 38 TYR QD 5.000 . 7.500 3.989 3.109 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 10 LEU MD1 1 38 TYR QE 5.000 . 7.500 3.075 2.362 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 10 LEU MD2 1 13 SER H 5.000 . 7.500 4.199 3.666 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 10 LEU MD2 1 14 LEU H 4.000 . 6.500 3.270 2.396 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 10 LEU MD2 1 15 SER H 5.000 . 7.500 4.612 4.143 5.944 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 10 LEU MD2 1 33 LEU HA 4.000 . 6.500 5.910 5.078 6.630 0.130 15 0 "[ . 1 . 2 . 3]" 1
107 1 10 LEU MD2 1 38 TYR H 5.000 . 7.500 5.645 4.961 6.307 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 10 LEU MD2 1 38 TYR QE 2.800 . 5.300 2.556 1.808 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 11 ILE H 1 11 ILE HB 4.000 . 6.500 2.573 2.091 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 11 ILE H 1 11 ILE MD 4.000 . 6.500 4.235 3.303 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 11 ILE H 1 11 ILE HG12 4.000 . 6.500 4.063 1.862 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 11 ILE H 1 11 ILE HG13 2.800 . 5.300 4.258 2.157 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 11 ILE H 1 11 ILE MG 2.800 . 5.300 2.554 2.087 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 11 ILE H 1 12 GLU H 2.800 . 3.300 2.349 2.206 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 11 ILE H 1 38 TYR QD 5.000 . 7.500 6.658 5.910 7.235 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 11 ILE HA 1 11 ILE MD 4.000 . 6.500 3.369 2.043 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 11 ILE HA 1 12 GLU H 4.000 . 4.500 3.378 3.286 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 11 ILE HA 1 13 SER H 5.000 . 5.500 4.915 4.199 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 11 ILE HA 1 14 LEU H 4.000 . 4.500 4.411 4.212 4.579 0.079 26 0 "[ . 1 . 2 . 3]" 1
120 1 11 ILE HA 1 15 SER H 4.000 . 4.500 3.158 2.883 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 11 ILE HB 1 12 GLU H 2.800 . 5.300 3.895 2.992 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 11 ILE HB 1 13 SER H 5.000 . 7.500 6.053 5.394 6.501 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 11 ILE HB 1 14 LEU H 5.000 . 7.500 6.300 6.131 6.464 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 11 ILE MD 1 12 GLU H 4.000 . 6.500 4.720 3.869 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 11 ILE MD 1 15 SER H 5.000 . 7.500 5.734 4.246 6.742 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 11 ILE HG12 1 12 GLU H 5.000 . 7.500 4.544 3.127 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 ILE HG12 1 14 LEU H 5.000 . 7.500 6.691 6.170 7.636 0.136 1 0 "[ . 1 . 2 . 3]" 1
128 1 11 ILE HG12 1 15 SER H 5.000 . 7.500 5.548 4.926 6.490 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 11 ILE HG13 1 12 GLU H 4.000 . 6.500 5.012 3.028 5.665 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 11 ILE MG 1 12 GLU H 2.800 . 5.300 2.745 2.034 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 11 ILE MG 1 15 SER H 4.000 . 6.500 5.156 4.695 5.418 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 12 GLU H 1 12 GLU HA 2.800 . 3.300 2.932 2.910 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 12 GLU H 1 12 GLU HB2 2.800 . 4.800 2.643 2.237 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 12 GLU H 1 12 GLU HB3 2.800 . 4.800 3.181 2.464 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 12 GLU H 1 12 GLU HG2 2.800 . 5.300 3.942 2.225 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 12 GLU H 1 13 SER HB3 5.000 . 7.000 5.473 4.470 6.130 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 12 GLU H 1 14 LEU H 5.000 . 5.500 3.737 3.445 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 12 GLU H 1 14 LEU MD2 5.000 . 7.500 6.560 6.023 7.460 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 12 GLU H 1 33 LEU MD2 5.000 . 7.500 6.666 5.981 7.516 0.016 30 0 "[ . 1 . 2 . 3]" 1
140 1 12 GLU H 1 38 TYR QD 6.000 . 8.500 6.630 5.798 7.034 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 12 GLU H 1 38 TYR QE 6.000 . 8.500 7.765 6.943 8.380 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 12 GLU HA 1 13 SER H 4.000 . 4.500 3.549 3.454 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 12 GLU HB2 1 13 SER H 2.800 . 4.800 3.027 2.019 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 12 GLU HB3 1 13 SER H 4.000 . 6.000 2.967 2.018 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 12 GLU HG2 1 13 SER H 4.000 . 6.500 4.361 2.990 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 13 SER H 1 13 SER HA 2.800 . 3.300 2.876 2.829 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 13 SER H 1 13 SER HB2 2.800 . 4.800 2.662 2.427 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 13 SER H 1 13 SER HB3 2.800 . 4.800 3.220 2.441 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 13 SER H 1 14 LEU H 2.800 . 3.300 2.563 2.438 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 13 SER H 1 14 LEU HA 5.000 . 5.500 5.173 5.091 5.305 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 13 SER H 1 14 LEU HB2 5.000 . 7.000 4.923 4.670 5.198 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 13 SER H 1 33 LEU MD1 5.000 . 7.500 6.578 4.451 7.557 0.057 16 0 "[ . 1 . 2 . 3]" 1
153 1 13 SER H 1 33 LEU MD2 5.000 . 7.500 4.897 4.259 5.627 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 13 SER H 1 40 ILE MD 4.000 . 6.500 4.235 3.715 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 13 SER HA 1 14 LEU H 4.000 . 4.500 3.538 3.487 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 13 SER HA 1 15 SER H 5.000 . 5.500 4.866 4.675 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 13 SER HA 1 16 GLN H 4.000 . 4.500 3.961 3.574 4.519 0.019 22 0 "[ . 1 . 2 . 3]" 1
158 1 13 SER HA 1 17 MET H 5.000 . 5.500 5.089 4.523 5.538 0.038 22 0 "[ . 1 . 2 . 3]" 1
159 1 13 SER HA 1 33 LEU MD1 6.000 . 8.500 5.706 3.840 6.607 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 13 SER HA 1 40 ILE MD 4.000 . 6.500 2.318 1.962 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 13 SER HB2 1 14 LEU H 4.000 . 6.000 3.332 2.357 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 13 SER HB2 1 33 LEU MD2 5.000 . 7.500 3.170 1.956 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 13 SER HB3 1 14 LEU H 4.000 . 6.000 3.654 2.252 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 13 SER HB3 1 15 SER H 5.000 . 7.000 5.661 4.411 6.108 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 13 SER HB3 1 33 LEU MD1 5.000 . 7.500 4.518 2.265 5.876 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 13 SER HB3 1 38 TYR H 5.000 . 7.000 6.348 5.782 6.903 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 13 SER HB3 1 40 ILE MD 5.000 . 7.500 3.201 2.295 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 14 LEU H 1 14 LEU HA 2.800 . 3.300 2.917 2.892 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 14 LEU H 1 14 LEU HB2 2.500 . 4.500 2.665 2.355 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 14 LEU H 1 14 LEU HB3 2.800 . 4.800 2.600 2.364 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 14 LEU H 1 14 LEU MD1 2.800 . 5.300 4.251 4.006 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 14 LEU H 1 14 LEU MD2 4.000 . 6.500 4.115 3.481 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 14 LEU H 1 14 LEU HG 5.000 . 7.500 4.482 2.867 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 14 LEU H 1 15 SER H 4.000 . 4.500 2.165 2.092 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 14 LEU H 1 15 SER HA 4.000 . 4.500 4.808 4.757 4.866 0.366 17 0 "[ . 1 . 2 . 3]" 1
176 1 14 LEU H 1 15 SER HB3 4.000 . 6.000 4.751 4.285 5.801 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 14 LEU H 1 16 GLN H 4.000 . 4.500 3.532 3.305 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 14 LEU H 1 16 GLN HB2 5.000 . 7.000 5.681 4.672 6.997 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 14 LEU H 1 16 GLN HB3 5.000 . 7.000 5.088 4.658 5.883 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 14 LEU H 1 16 GLN HG2 5.000 . 7.500 6.748 5.142 7.572 0.072 4 0 "[ . 1 . 2 . 3]" 1
181 1 14 LEU H 1 29 LEU MD1 5.000 . 7.500 5.268 4.557 7.044 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 14 LEU H 1 33 LEU MD2 5.000 . 7.500 4.190 3.253 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 14 LEU H 1 38 TYR QD 5.000 . 7.500 5.575 4.734 6.217 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 14 LEU H 1 40 ILE MD 4.000 . 6.500 5.285 4.755 5.555 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 14 LEU HA 1 14 LEU MD2 2.800 . 5.300 3.121 1.954 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 14 LEU HA 1 15 SER H 4.000 . 4.500 3.511 3.483 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 14 LEU HA 1 16 GLN H 5.000 . 5.500 3.964 3.701 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 14 LEU HA 1 17 MET H 5.000 . 5.500 3.684 3.275 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 14 LEU HA 1 18 LEU H 4.000 . 4.500 4.321 4.021 4.595 0.095 29 0 "[ . 1 . 2 . 3]" 1
190 1 14 LEU HB2 1 15 SER H 2.800 . 4.800 3.662 2.638 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 14 LEU HB2 1 16 GLN H 5.000 . 7.000 5.428 4.926 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 14 LEU HB3 1 14 LEU MD1 2.800 . 5.300 2.647 2.231 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 14 LEU HB3 1 15 SER H 2.800 . 4.800 2.537 2.341 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 14 LEU HB3 1 16 GLN H 5.000 . 7.000 4.780 4.574 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 14 LEU MD1 1 15 SER H 4.000 . 6.500 4.416 3.023 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 14 LEU MD1 1 16 GLN H 5.000 . 7.500 5.834 4.515 6.505 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 LEU MD1 1 18 LEU H 5.000 . 7.500 5.248 3.205 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 LEU HG 1 17 MET H 5.000 . 7.500 5.615 4.875 7.015 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 14 LEU HG 1 18 LEU H 5.000 . 7.500 5.107 3.968 7.238 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 15 SER H 1 15 SER HA 2.800 . 3.300 2.794 2.759 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 15 SER H 1 15 SER HB3 2.500 . 4.500 2.853 2.518 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 15 SER H 1 16 GLN H 2.800 . 3.300 2.648 2.519 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 15 SER H 1 16 GLN HB2 5.000 . 7.000 5.403 4.619 6.397 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 15 SER H 1 16 GLN HB3 4.000 . 6.000 4.931 4.694 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 15 SER H 1 16 GLN HG2 5.000 . 7.500 6.562 5.462 7.175 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 15 SER H 1 16 GLN HG3 5.000 . 7.500 6.195 4.146 7.225 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 15 SER H 1 17 MET H 5.000 . 5.500 4.467 3.971 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 15 SER H 1 18 LEU H 4.000 . 4.500 4.655 4.573 4.767 0.267 30 0 "[ . 1 . 2 . 3]" 1
209 1 15 SER H 1 18 LEU HG 5.000 . 7.500 6.789 5.071 7.322 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 15 SER HA 1 18 LEU H 2.800 . 3.300 3.045 2.782 3.305 0.005 1 0 "[ . 1 . 2 . 3]" 1
211 1 15 SER HA 1 18 LEU HB3 5.000 . 7.500 2.559 1.791 4.158 0.009 12 0 "[ . 1 . 2 . 3]" 1
212 1 15 SER HB3 1 16 GLN H 2.500 . 4.500 3.371 2.914 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 15 SER HB3 1 17 MET H 5.000 . 7.000 5.509 5.020 6.414 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 15 SER HB3 1 18 LEU H 4.000 . 6.000 5.326 4.867 5.564 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 16 GLN H 1 16 GLN HA 2.500 . 3.000 2.825 2.758 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 16 GLN H 1 16 GLN HB2 2.800 . 4.800 2.919 2.398 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 16 GLN H 1 16 GLN HB3 2.800 . 4.800 2.532 2.315 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 16 GLN H 1 16 GLN HE22 5.000 . 7.500 5.780 5.092 6.400 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 16 GLN H 1 16 GLN HG2 2.800 . 5.300 4.103 3.370 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 16 GLN H 1 16 GLN HG3 2.800 . 5.300 3.821 2.050 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 GLN H 1 17 MET H 2.800 . 3.300 2.674 2.366 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 GLN H 1 17 MET HA 5.000 . 5.500 5.263 5.045 5.389 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 GLN H 1 17 MET HB2 5.000 . 7.000 5.812 4.539 6.500 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 16 GLN H 1 18 LEU H 5.000 . 5.500 3.837 3.611 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 GLN H 1 18 LEU HG 5.000 . 7.500 7.253 5.514 7.552 0.052 26 0 "[ . 1 . 2 . 3]" 1
226 1 16 GLN H 1 29 LEU MD1 5.000 . 7.500 6.169 5.300 7.522 0.022 1 0 "[ . 1 . 2 . 3]" 1
227 1 16 GLN H 1 40 ILE MD 2.800 . 5.300 5.360 5.290 5.435 0.135 29 0 "[ . 1 . 2 . 3]" 1
228 1 16 GLN H 1 43 ALA MB 5.000 . 7.500 7.133 6.373 7.537 0.037 1 0 "[ . 1 . 2 . 3]" 1
229 1 16 GLN H 1 44 LEU MD1 5.000 . 7.500 6.618 5.898 7.515 0.015 25 0 "[ . 1 . 2 . 3]" 1
230 1 16 GLN HA 1 17 MET H 4.000 . 4.500 3.525 3.428 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 GLN HB2 1 16 GLN HE21 4.000 . 6.500 4.024 3.172 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 16 GLN HB2 1 16 GLN HE22 4.000 . 6.500 4.817 4.236 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 GLN HB2 1 17 MET H 4.000 . 6.000 3.852 3.468 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 16 GLN HB3 1 17 MET H 2.800 . 4.800 2.950 1.967 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 16 GLN HE22 1 16 GLN HG2 4.000 . 6.500 3.770 3.446 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 16 GLN HE22 1 16 GLN HG3 4.000 . 6.500 3.756 3.443 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 16 GLN HE22 1 22 PHE HA 5.000 . 7.500 7.120 6.686 7.622 0.122 9 0 "[ . 1 . 2 . 3]" 1
238 1 16 GLN HE22 1 23 SER H 5.000 . 7.500 7.566 7.266 7.679 0.179 27 0 "[ . 1 . 2 . 3]" 1
239 1 17 MET H 1 17 MET HB2 4.000 . 6.000 3.252 2.334 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 MET H 1 17 MET ME 5.000 . 7.500 3.976 2.497 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 MET H 1 17 MET HG2 4.000 . 6.500 2.604 1.775 3.776 0.025 25 0 "[ . 1 . 2 . 3]" 1
242 1 17 MET H 1 17 MET HG3 4.000 . 6.500 2.796 1.762 3.766 0.038 21 0 "[ . 1 . 2 . 3]" 1
243 1 17 MET H 1 18 LEU H 4.000 . 4.500 2.361 2.014 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 MET H 1 18 LEU HB2 5.000 . 7.000 4.465 3.980 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 MET H 1 19 SER H 5.000 . 5.500 4.085 3.708 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 17 MET H 1 20 MET HB2 5.000 . 7.500 5.269 4.596 5.992 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 MET H 1 20 MET HB3 5.000 . 7.500 5.692 4.871 7.459 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 MET H 1 22 PHE QD 5.000 . 7.500 5.120 4.307 5.976 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 MET H 1 29 LEU MD1 5.000 . 7.500 5.026 4.447 6.051 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 MET H 1 29 LEU MD2 4.000 . 6.500 5.664 4.495 6.426 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 17 MET H 1 47 ILE MG 5.000 . 7.500 6.507 4.750 7.644 0.144 17 0 "[ . 1 . 2 . 3]" 1
252 1 17 MET HA 1 18 LEU H 4.000 . 4.500 3.497 3.429 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 17 MET HB2 1 22 PHE QD 6.000 . 8.500 3.544 2.016 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 17 MET HB3 1 18 LEU H 4.000 . 6.000 4.019 3.484 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 17 MET HB3 1 22 PHE QD 6.000 . 8.500 3.120 1.874 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 17 MET ME 1 18 LEU H 5.000 . 7.500 4.717 3.956 6.215 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 17 MET ME 1 22 PHE QD 4.000 . 6.500 4.060 1.778 5.290 0.022 27 0 "[ . 1 . 2 . 3]" 1
258 1 17 MET ME 1 22 PHE HZ 6.000 . 8.500 7.042 5.035 8.544 0.044 17 0 "[ . 1 . 2 . 3]" 1
259 1 17 MET ME 1 29 LEU MD1 2.500 . 5.000 2.453 1.867 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 17 MET HG2 1 18 LEU H 5.000 . 7.500 3.642 2.390 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 17 MET HG3 1 18 LEU H 5.000 . 7.500 3.412 2.486 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 LEU H 1 18 LEU HA 2.800 . 3.300 2.822 2.772 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 LEU H 1 18 LEU HB2 4.000 . 6.500 2.356 2.107 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 18 LEU H 1 18 LEU MD1 2.800 . 5.300 3.787 2.166 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 18 LEU H 1 18 LEU HG 5.000 . 7.500 4.343 2.628 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 18 LEU H 1 19 SER H 2.800 . 3.300 2.675 2.536 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 18 LEU H 1 19 SER HA 5.000 . 5.500 5.284 5.179 5.416 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 18 LEU H 1 20 MET H 5.000 . 5.500 4.042 3.773 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 18 LEU H 1 22 PHE QD 5.000 . 7.500 5.740 4.808 6.546 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 18 LEU H 1 29 LEU MD1 4.000 . 6.500 5.252 4.418 6.452 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 18 LEU HA 1 18 LEU HB3 2.800 . 4.800 2.913 2.534 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 18 LEU HA 1 18 LEU MD2 2.800 . 5.300 3.550 2.004 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 18 LEU HA 1 19 SER H 4.000 . 4.500 3.515 3.385 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 18 LEU HA 1 22 PHE H 4.000 . 4.500 3.835 3.078 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 18 LEU HB2 1 19 SER H 5.000 . 7.500 3.625 2.833 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 18 LEU HB3 1 19 SER H 5.000 . 7.500 2.924 2.409 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 18 LEU HB3 1 21 GLY H 5.000 . 7.000 5.876 5.407 6.165 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 18 LEU HB3 1 22 PHE H 5.000 . 7.000 6.332 5.664 6.730 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 18 LEU MD1 1 19 SER H 4.000 . 6.500 4.595 4.259 5.137 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 18 LEU MD1 1 20 MET H 5.000 . 7.500 5.706 5.255 6.622 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 18 LEU MD1 1 22 PHE H 5.000 . 7.500 5.044 4.149 6.617 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 18 LEU MD1 1 24 ASP H 4.000 . 6.500 6.075 4.668 6.551 0.051 30 0 "[ . 1 . 2 . 3]" 1
283 1 18 LEU MD2 1 21 GLY H 5.000 . 7.500 6.546 4.868 7.037 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 18 LEU HG 1 19 SER H 2.800 . 5.300 4.399 3.721 5.348 0.048 7 0 "[ . 1 . 2 . 3]" 1
285 1 19 SER H 1 19 SER HA 2.800 . 3.300 2.900 2.832 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 19 SER H 1 19 SER HB3 2.800 . 4.800 2.923 2.464 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 19 SER H 1 20 MET H 4.000 . 4.500 2.400 2.207 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 19 SER H 1 20 MET HG2 5.000 . 7.500 6.232 4.229 7.138 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 19 SER H 1 20 MET HG3 5.000 . 7.500 6.312 3.905 7.019 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 19 SER H 1 21 GLY H 4.000 . 4.500 4.051 3.623 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 19 SER H 1 22 PHE H 5.000 . 5.500 5.150 4.737 5.540 0.040 8 0 "[ . 1 . 2 . 3]" 1
292 1 19 SER HA 1 20 MET H 5.000 . 5.500 3.441 3.174 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 19 SER HA 1 21 GLY H 5.000 . 5.500 4.282 3.929 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 19 SER HB3 1 20 MET H 5.000 . 7.000 3.734 2.568 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 19 SER HB3 1 21 GLY H 5.000 . 7.000 5.626 4.933 6.071 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 20 MET H 1 20 MET HB2 4.000 . 6.000 2.557 2.348 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 20 MET H 1 20 MET HB3 4.000 . 6.000 2.907 2.528 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 20 MET H 1 20 MET ME 5.000 . 7.500 4.747 3.060 5.911 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 20 MET H 1 20 MET HG2 5.000 . 7.500 4.146 2.282 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 20 MET H 1 20 MET HG3 4.000 . 6.500 4.152 2.402 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 20 MET H 1 21 GLY H 4.000 . 4.500 2.414 2.084 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 20 MET H 1 21 GLY HA2 5.000 . 5.500 4.760 4.420 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 20 MET H 1 22 PHE H 4.000 . 4.500 3.983 3.182 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 20 MET H 1 22 PHE QD 5.000 . 7.500 4.812 3.715 6.188 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 20 MET HA 1 21 GLY H 4.000 . 4.500 3.487 3.390 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 20 MET HA 1 22 PHE H 5.000 . 5.500 5.376 4.962 5.550 0.050 1 0 "[ . 1 . 2 . 3]" 1
307 1 20 MET HB2 1 21 GLY H 5.000 . 7.000 3.692 2.839 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 20 MET HB2 1 22 PHE H 5.000 . 7.000 4.837 3.371 5.514 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 20 MET HB3 1 21 GLY H 5.000 . 7.000 3.190 2.791 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 20 MET ME 1 21 GLY H 5.000 . 7.500 5.496 4.387 6.168 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 20 MET HG2 1 21 GLY H 5.000 . 7.500 4.826 4.049 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 20 MET HG3 1 21 GLY H 5.000 . 7.500 4.594 3.994 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 21 GLY H 1 21 GLY HA2 2.800 . 3.300 2.440 2.364 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 21 GLY H 1 21 GLY HA3 2.800 . 3.300 2.952 2.925 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 21 GLY H 1 22 PHE H 2.800 . 3.300 2.112 1.879 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 21 GLY H 1 22 PHE HA 5.000 . 5.500 4.771 4.616 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 21 GLY H 1 22 PHE HB3 5.000 . 7.000 5.597 5.376 5.973 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 21 GLY H 1 22 PHE QD 5.000 . 7.500 4.064 2.774 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 21 GLY H 1 48 GLN HE22 5.000 . 7.500 7.473 7.080 7.642 0.142 14 0 "[ . 1 . 2 . 3]" 1
320 1 21 GLY HA2 1 22 PHE H 4.000 . 4.500 2.794 2.718 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 21 GLY HA2 1 48 GLN HE22 5.000 . 7.500 7.039 6.022 7.528 0.028 23 0 "[ . 1 . 2 . 3]" 1
322 1 21 GLY HA3 1 22 PHE H 4.000 . 4.500 3.531 3.427 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 21 GLY HA3 1 48 GLN HE22 5.000 . 7.500 6.934 6.286 7.571 0.071 23 0 "[ . 1 . 2 . 3]" 1
324 1 22 PHE H 1 22 PHE HB2 4.000 . 6.000 2.652 2.474 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 22 PHE H 1 22 PHE HB3 4.000 . 6.000 3.744 3.606 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 22 PHE H 1 22 PHE QD 2.800 . 5.300 3.292 1.781 3.726 0.019 9 0 "[ . 1 . 2 . 3]" 1
327 1 22 PHE H 1 23 SER H 5.000 . 5.500 4.393 4.344 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 22 PHE H 1 23 SER HA 4.000 . 4.500 4.720 4.647 4.810 0.310 27 0 "[ . 1 . 2 . 3]" 1
329 1 22 PHE H 1 29 LEU MD1 5.000 . 7.500 6.899 5.956 7.515 0.015 16 0 "[ . 1 . 2 . 3]" 1
330 1 22 PHE HA 1 23 SER H 2.800 . 3.300 2.488 2.231 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 22 PHE HA 1 23 SER HA 5.000 . 7.500 4.482 4.372 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 22 PHE HA 1 28 TRP HZ2 6.000 . 8.500 7.539 6.544 8.091 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 22 PHE HA 1 48 GLN HE22 5.000 . 7.500 2.905 2.343 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 22 PHE HB2 1 23 SER H 4.000 . 6.000 3.537 2.337 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 22 PHE HB2 1 28 TRP HH2 6.000 . 8.500 6.394 5.813 6.947 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 22 PHE HB2 1 28 TRP HZ2 6.000 . 8.500 7.231 4.809 8.098 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 22 PHE HB2 1 29 LEU MD1 5.000 . 7.500 5.560 4.527 6.442 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 22 PHE HB3 1 23 SER H 4.000 . 6.000 2.428 1.942 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 22 PHE HB3 1 28 TRP HH2 6.000 . 8.500 5.485 4.675 7.575 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 22 PHE HB3 1 28 TRP HZ2 5.000 . 7.500 5.936 4.536 7.500 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 22 PHE HB3 1 29 LEU MD1 5.000 . 7.500 5.616 4.440 7.552 0.052 9 0 "[ . 1 . 2 . 3]" 1
342 1 22 PHE QD 1 23 SER H 2.800 . 5.300 3.865 3.496 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 22 PHE QD 1 47 ILE HA 6.000 . 8.500 5.445 3.642 6.752 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 22 PHE QD 1 48 GLN H 5.000 . 7.500 5.664 4.342 6.774 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 22 PHE QE 1 23 SER H 5.000 . 7.500 5.934 5.694 6.256 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 22 PHE QE 1 47 ILE H 5.000 . 7.500 6.558 5.753 7.366 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 22 PHE QE 1 47 ILE HA 5.000 . 7.500 6.694 5.189 7.577 0.077 23 0 "[ . 1 . 2 . 3]" 1
348 1 22 PHE QE 1 47 ILE MD 4.000 . 6.500 3.397 2.390 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 22 PHE QE 1 48 GLN HE22 5.000 . 7.500 4.549 3.159 5.972 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 22 PHE HZ 1 44 LEU MD1 5.000 . 7.500 5.453 3.066 7.390 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 22 PHE HZ 1 47 ILE MD 5.000 . 7.500 4.623 3.666 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 22 PHE HZ 1 48 GLN H 5.000 . 7.500 7.507 6.668 7.656 0.156 14 0 "[ . 1 . 2 . 3]" 1
353 1 22 PHE HZ 1 49 TYR QD 6.000 . 8.500 4.425 3.058 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 22 PHE HZ 1 49 TYR QE 5.000 . 7.500 2.526 1.771 3.355 0.029 26 0 "[ . 1 . 2 . 3]" 1
355 1 23 SER H 1 23 SER HA 2.800 . 3.300 2.895 2.846 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 23 SER H 1 23 SER HB2 4.000 . 6.000 2.949 2.700 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 23 SER H 1 23 SER HB3 4.000 . 6.000 3.912 3.458 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 23 SER H 1 28 TRP HE1 5.000 . 7.500 7.240 4.724 7.604 0.104 29 0 "[ . 1 . 2 . 3]" 1
359 1 23 SER H 1 28 TRP HH2 5.000 . 7.500 5.816 5.270 7.243 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 23 SER H 1 29 LEU MD1 4.000 . 6.500 5.671 4.564 6.510 0.010 23 0 "[ . 1 . 2 . 3]" 1
361 1 23 SER H 1 29 LEU MD2 5.000 . 7.500 5.269 4.161 6.411 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 23 SER H 1 46 THR HG1 5.000 . 7.500 7.589 7.517 7.649 0.149 12 0 "[ . 1 . 2 . 3]" 1
363 1 23 SER H 1 47 ILE MG 5.000 . 7.500 2.789 2.173 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 23 SER H 1 48 GLN HG3 5.000 . 7.500 6.008 4.764 7.386 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 23 SER HA 1 23 SER HB2 2.800 . 5.300 3.015 2.498 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 23 SER HA 1 23 SER HB3 2.800 . 5.300 2.464 2.390 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 23 SER HA 1 24 ASP H 2.800 . 3.300 2.818 2.315 3.436 0.136 9 0 "[ . 1 . 2 . 3]" 1
368 1 23 SER HB2 1 24 ASP H 4.000 . 6.500 2.766 1.745 3.889 0.055 19 0 "[ . 1 . 2 . 3]" 1
369 1 23 SER HB2 1 25 GLU H 4.000 . 6.000 5.551 5.116 6.050 0.050 9 0 "[ . 1 . 2 . 3]" 1
370 1 23 SER HB3 1 24 ASP H 4.000 . 6.000 2.081 1.758 3.326 0.042 1 0 "[ . 1 . 2 . 3]" 1
371 1 23 SER HB3 1 25 GLU H 4.000 . 6.000 5.937 5.620 6.250 0.250 19 0 "[ . 1 . 2 . 3]" 1
372 1 24 ASP H 1 24 ASP HB2 4.000 . 6.000 3.493 2.401 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 24 ASP H 1 24 ASP HB3 4.000 . 6.000 2.994 2.479 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 24 ASP H 1 25 GLU H 5.000 . 5.500 4.408 4.109 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 24 ASP H 1 25 GLU HB3 5.000 . 7.000 6.743 5.854 7.100 0.100 1 0 "[ . 1 . 2 . 3]" 1
376 1 24 ASP H 1 28 TRP HE1 5.000 . 7.500 6.331 4.150 7.083 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 24 ASP H 1 29 LEU MD1 5.000 . 7.500 5.062 4.174 6.602 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 24 ASP HA 1 25 GLU H 2.800 . 3.300 2.173 2.081 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 24 ASP HA 1 28 TRP HE1 5.000 . 7.500 3.868 1.742 4.861 0.058 18 0 "[ . 1 . 2 . 3]" 1
380 1 24 ASP HA 1 29 LEU H 4.000 . 4.500 3.764 2.907 4.539 0.039 8 0 "[ . 1 . 2 . 3]" 1
381 1 24 ASP HA 1 29 LEU HB3 5.000 . 7.000 3.991 2.768 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 24 ASP HB3 1 25 GLU H 4.000 . 6.000 4.070 3.570 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 24 ASP HB3 1 27 GLY H 5.000 . 7.000 3.998 1.890 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 24 ASP HB3 1 28 TRP H 5.000 . 7.000 4.009 3.125 5.826 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 24 ASP HB3 1 29 LEU H 5.000 . 7.000 2.761 1.781 5.088 0.019 30 0 "[ . 1 . 2 . 3]" 1
386 1 24 ASP HB3 1 29 LEU HB2 6.000 . 8.500 2.458 1.681 5.185 0.119 6 0 "[ . 1 . 2 . 3]" 1
387 1 24 ASP HB3 1 30 THR H 5.000 . 7.000 4.821 3.509 7.020 0.020 5 0 "[ . 1 . 2 . 3]" 1
388 1 25 GLU H 1 25 GLU HA 2.800 . 3.300 2.871 2.733 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 25 GLU H 1 25 GLU HB2 2.500 . 4.500 2.682 2.132 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 25 GLU H 1 25 GLU HG2 2.800 . 5.300 4.125 2.364 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 25 GLU H 1 26 GLY H 4.000 . 4.500 2.985 2.407 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 25 GLU H 1 26 GLY HA2 5.000 . 5.500 5.337 4.956 5.627 0.127 12 0 "[ . 1 . 2 . 3]" 1
393 1 25 GLU H 1 26 GLY HA3 5.000 . 5.500 4.979 4.548 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 25 GLU H 1 27 GLY H 5.000 . 5.500 3.980 3.380 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 25 GLU H 1 28 TRP H 5.000 . 5.500 4.146 3.775 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 25 GLU H 1 28 TRP HD1 2.800 . 5.300 3.838 2.003 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 25 GLU H 1 28 TRP HE1 2.800 . 5.300 2.182 1.639 3.328 0.161 18 0 "[ . 1 . 2 . 3]" 1
398 1 25 GLU H 1 28 TRP HZ2 5.000 . 7.500 2.790 2.123 5.747 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 25 GLU H 1 29 LEU H 5.000 . 5.500 4.638 3.990 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 25 GLU H 1 29 LEU HB2 5.000 . 7.000 4.695 3.547 5.416 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 25 GLU H 1 29 LEU HB3 5.000 . 7.000 5.709 4.731 6.878 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 25 GLU H 1 29 LEU MD2 5.000 . 7.500 5.775 4.736 6.590 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 25 GLU H 1 32 LEU MD1 5.000 . 7.500 7.530 7.184 7.646 0.146 18 0 "[ . 1 . 2 . 3]" 1
404 1 25 GLU H 1 32 LEU MD2 5.000 . 7.500 7.532 6.177 7.697 0.197 18 0 "[ . 1 . 2 . 3]" 1
405 1 25 GLU H 1 46 THR HG1 4.000 . 6.500 4.709 4.252 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 25 GLU H 1 47 ILE MD 5.000 . 7.500 6.074 4.576 7.518 0.018 14 0 "[ . 1 . 2 . 3]" 1
407 1 25 GLU H 1 48 GLN HE22 4.000 . 6.500 6.541 5.616 6.695 0.195 6 0 "[ . 1 . 2 . 3]" 1
408 1 25 GLU H 1 48 GLN HG3 5.000 . 7.500 7.327 6.493 7.620 0.120 27 0 "[ . 1 . 2 . 3]" 1
409 1 25 GLU HA 1 25 GLU HB3 2.800 . 4.800 2.901 2.428 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 25 GLU HA 1 25 GLU HG2 2.800 . 5.300 3.136 2.260 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 25 GLU HA 1 26 GLY H 2.800 . 3.300 3.023 2.350 3.528 0.228 16 0 "[ . 1 . 2 . 3]" 1
412 1 25 GLU HA 1 28 TRP HE1 5.000 . 7.500 3.923 3.527 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 25 GLU HB2 1 28 TRP HD1 6.000 . 8.500 4.993 3.711 6.028 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 25 GLU HB2 1 28 TRP HE1 5.000 . 7.500 2.905 1.705 6.894 0.095 13 0 "[ . 1 . 2 . 3]" 1
415 1 25 GLU HB3 1 26 GLY H 2.800 . 4.800 3.702 1.973 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 25 GLU HB3 1 27 GLY H 5.000 . 7.000 5.212 4.050 6.732 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 25 GLU HB3 1 29 LEU H 5.000 . 7.000 6.777 5.789 7.226 0.226 29 0 "[ . 1 . 2 . 3]" 1
418 1 25 GLU HG2 1 26 GLY H 5.000 . 7.500 4.426 3.001 5.746 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 25 GLU HG2 1 27 GLY H 5.000 . 7.500 6.023 3.809 7.185 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 25 GLU HG2 1 28 TRP H 5.000 . 7.500 6.723 3.706 7.652 0.152 12 0 "[ . 1 . 2 . 3]" 1
421 1 25 GLU HG2 1 28 TRP HD1 6.000 . 8.500 5.167 1.764 6.727 0.036 6 0 "[ . 1 . 2 . 3]" 1
422 1 25 GLU HG2 1 28 TRP HE1 5.000 . 7.500 3.919 1.770 6.040 0.030 14 0 "[ . 1 . 2 . 3]" 1
423 1 26 GLY H 1 26 GLY HA2 2.800 . 3.300 2.736 2.486 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 26 GLY H 1 27 GLY H 4.000 . 4.500 2.155 1.785 3.756 0.015 20 0 "[ . 1 . 2 . 3]" 1
425 1 26 GLY H 1 27 GLY HA3 5.000 . 5.500 4.616 4.343 5.302 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 26 GLY H 1 28 TRP H 5.000 . 5.500 3.419 2.710 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 26 GLY H 1 46 THR HG1 5.000 . 7.500 7.080 6.214 7.620 0.120 12 0 "[ . 1 . 2 . 3]" 1
428 1 26 GLY HA2 1 27 GLY H 4.000 . 4.500 3.315 2.866 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 26 GLY HA2 1 28 TRP H 5.000 . 5.500 4.826 4.349 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 26 GLY HA3 1 27 GLY H 4.000 . 4.500 3.101 2.224 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 27 GLY H 1 27 GLY HA2 2.800 . 3.300 2.509 2.318 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 27 GLY H 1 27 GLY HA3 2.800 . 3.300 2.899 2.747 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 27 GLY H 1 28 TRP H 4.000 . 4.500 2.068 1.747 2.478 0.053 29 0 "[ . 1 . 2 . 3]" 1
434 1 27 GLY H 1 29 LEU MD1 5.000 . 7.500 6.840 5.776 7.514 0.014 11 0 "[ . 1 . 2 . 3]" 1
435 1 27 GLY H 1 31 ARG HD3 5.000 . 7.500 6.758 5.501 7.636 0.136 2 0 "[ . 1 . 2 . 3]" 1
436 1 27 GLY H 1 31 ARG HG2 5.000 . 7.500 7.024 5.841 7.627 0.127 23 0 "[ . 1 . 2 . 3]" 1
437 1 27 GLY H 1 46 THR HG1 5.000 . 7.500 7.481 7.024 7.640 0.140 6 0 "[ . 1 . 2 . 3]" 1
438 1 27 GLY HA3 1 28 TRP H 4.000 . 4.500 3.402 3.161 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 28 TRP H 1 28 TRP HA 2.800 . 3.300 2.891 2.802 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 28 TRP H 1 28 TRP HB2 2.800 . 4.800 3.609 3.556 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 28 TRP H 1 28 TRP HD1 2.800 . 5.300 2.712 2.101 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 28 TRP H 1 28 TRP HE1 5.000 . 7.500 4.154 3.959 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 28 TRP H 1 28 TRP HE3 4.000 . 6.500 4.521 4.174 5.458 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 28 TRP H 1 29 LEU H 4.000 . 4.500 2.416 2.222 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 28 TRP H 1 29 LEU HA 5.000 . 5.500 4.751 4.450 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 28 TRP H 1 29 LEU HB2 5.000 . 7.000 4.731 4.370 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 28 TRP H 1 29 LEU HB3 5.000 . 7.000 4.670 4.407 5.047 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 28 TRP H 1 29 LEU MD1 5.000 . 7.500 5.996 5.508 6.329 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 28 TRP H 1 29 LEU MD2 5.000 . 7.500 5.980 5.733 6.215 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 28 TRP H 1 30 THR H 5.000 . 5.500 4.667 3.917 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 28 TRP H 1 30 THR HG1 5.000 . 7.500 7.102 6.374 7.652 0.152 30 0 "[ . 1 . 2 . 3]" 1
452 1 28 TRP H 1 31 ARG HB2 5.000 . 7.000 5.814 4.902 7.248 0.248 27 0 "[ . 1 . 2 . 3]" 1
453 1 28 TRP H 1 31 ARG HB3 5.000 . 7.000 6.583 4.394 7.103 0.103 5 0 "[ . 1 . 2 . 3]" 1
454 1 28 TRP H 1 31 ARG HD3 5.000 . 7.500 5.534 4.223 7.047 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 28 TRP H 1 31 ARG HG2 4.000 . 6.500 5.559 4.320 6.524 0.024 15 0 "[ . 1 . 2 . 3]" 1
456 1 28 TRP H 1 32 LEU HB2 5.000 . 7.000 5.357 4.994 5.751 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 28 TRP H 1 32 LEU HB3 5.000 . 7.000 6.139 5.504 6.446 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 28 TRP H 1 32 LEU MD1 5.000 . 7.500 7.192 6.630 7.539 0.039 1 0 "[ . 1 . 2 . 3]" 1
459 1 28 TRP H 1 33 LEU MD1 5.000 . 7.500 6.701 5.842 7.619 0.119 29 0 "[ . 1 . 2 . 3]" 1
460 1 28 TRP H 1 46 THR HG1 5.000 . 7.500 6.385 5.668 6.816 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 28 TRP HA 1 28 TRP HE3 5.000 . 7.500 4.214 4.098 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 28 TRP HA 1 28 TRP HZ2 6.000 . 8.500 7.609 7.538 7.646 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 28 TRP HA 1 29 LEU H 5.000 . 5.500 3.405 3.325 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 28 TRP HA 1 32 LEU H 4.000 . 4.500 3.185 2.240 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 28 TRP HB2 1 28 TRP HE1 5.000 . 7.500 5.211 5.177 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 28 TRP HB2 1 29 LEU H 5.000 . 7.000 4.082 3.880 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 28 TRP HB2 1 31 ARG H 5.000 . 7.000 4.370 3.925 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 28 TRP HB2 1 32 LEU H 4.000 . 6.000 2.760 2.338 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 28 TRP HB3 1 28 TRP HE1 5.000 . 7.500 4.763 4.733 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 28 TRP HB3 1 31 ARG H 5.000 . 7.000 5.160 4.751 5.619 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 28 TRP HB3 1 32 LEU MD1 6.000 . 8.500 6.137 4.743 6.813 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 28 TRP HD1 1 29 LEU H 5.000 . 7.500 4.642 2.718 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 28 TRP HD1 1 30 THR H 5.000 . 7.500 7.034 5.341 7.502 0.002 3 0 "[ . 1 . 2 . 3]" 1
474 1 28 TRP HD1 1 32 LEU H 5.000 . 7.500 6.335 5.815 6.719 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 28 TRP HD1 1 32 LEU MD1 6.000 . 8.500 7.080 5.820 7.708 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 28 TRP HD1 1 46 THR HG1 5.000 . 7.500 5.419 4.210 6.169 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 28 TRP HE1 1 29 LEU H 5.000 . 7.500 5.216 3.712 5.614 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 28 TRP HE1 1 29 LEU HA 5.000 . 7.500 6.160 4.415 6.534 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 28 TRP HE1 1 29 LEU HB2 5.000 . 7.500 5.810 2.626 6.428 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 28 TRP HE1 1 29 LEU HB3 5.000 . 7.500 6.820 4.028 7.530 0.030 27 0 "[ . 1 . 2 . 3]" 1
481 1 28 TRP HE1 1 29 LEU MD1 5.000 . 7.500 6.482 3.692 7.315 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 28 TRP HE1 1 29 LEU MD2 5.000 . 7.500 7.006 3.812 7.571 0.071 3 0 "[ . 1 . 2 . 3]" 1
483 1 28 TRP HE1 1 32 LEU H 5.000 . 7.500 7.585 7.385 7.747 0.247 1 0 "[ . 1 . 2 . 3]" 1
484 1 28 TRP HE1 1 32 LEU HB3 5.000 . 7.500 6.992 6.508 7.319 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 28 TRP HE1 1 32 LEU MD1 5.000 . 7.500 7.012 6.379 7.477 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 28 TRP HE1 1 43 ALA MB 5.000 . 7.500 6.949 5.807 7.523 0.023 3 0 "[ . 1 . 2 . 3]" 1
487 1 28 TRP HE1 1 46 THR HG1 2.800 . 5.300 4.070 3.647 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 28 TRP HE3 1 29 LEU H 5.000 . 7.500 3.623 3.427 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 28 TRP HE3 1 29 LEU HA 5.000 . 7.500 2.355 2.141 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 28 TRP HE3 1 29 LEU MD1 5.000 . 7.500 4.008 3.546 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 28 TRP HE3 1 29 LEU HG 5.000 . 7.500 5.591 5.181 6.718 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 28 TRP HE3 1 32 LEU HB2 6.000 . 8.500 2.204 1.722 2.770 0.078 1 0 "[ . 1 . 2 . 3]" 1
493 1 28 TRP HE3 1 32 LEU MD2 6.000 . 8.500 3.993 2.830 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 28 TRP HH2 1 29 LEU HB2 6.000 . 8.500 4.507 4.071 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 28 TRP HH2 1 29 LEU MD1 5.000 . 7.500 3.730 2.922 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 28 TRP HH2 1 46 THR HG1 6.000 . 8.500 2.642 2.134 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 28 TRP HH2 1 47 ILE MD 5.000 . 7.500 3.488 2.178 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 28 TRP HH2 1 47 ILE MG 4.000 . 6.500 2.011 1.671 4.322 0.129 16 0 "[ . 1 . 2 . 3]" 1
499 1 28 TRP HZ2 1 29 LEU HB2 6.000 . 8.500 5.023 3.390 5.535 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 28 TRP HZ2 1 29 LEU MD1 5.000 . 7.500 5.082 2.564 6.026 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 28 TRP HZ2 1 46 THR HG1 4.000 . 6.500 2.655 2.156 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 28 TRP HZ2 1 47 ILE H 5.000 . 7.500 3.610 2.910 6.133 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 28 TRP HZ2 1 47 ILE MG 6.000 . 8.500 2.048 1.739 3.263 0.061 19 0 "[ . 1 . 2 . 3]" 1
504 1 28 TRP HZ3 1 29 LEU HG 5.000 . 7.500 5.414 4.661 6.617 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 28 TRP HZ3 1 32 LEU H 5.000 . 7.500 5.303 4.866 5.916 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 28 TRP HZ3 1 32 LEU MD2 4.000 . 6.500 4.899 2.694 5.507 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 28 TRP HZ3 1 39 ASP H 5.000 . 7.500 7.176 5.770 7.543 0.043 3 0 "[ . 1 . 2 . 3]" 1
508 1 28 TRP HZ3 1 47 ILE MG 4.000 . 6.500 3.799 3.305 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 29 LEU H 1 29 LEU HB2 4.000 . 6.000 2.670 2.400 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 29 LEU H 1 29 LEU HB3 4.000 . 6.000 2.421 2.230 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 29 LEU H 1 29 LEU MD1 4.000 . 6.500 4.170 3.874 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 29 LEU H 1 29 LEU MD2 4.000 . 6.500 4.185 4.056 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 29 LEU H 1 30 THR H 4.000 . 4.500 2.880 2.575 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 29 LEU H 1 30 THR HB 5.000 . 7.500 6.232 5.250 6.887 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 29 LEU H 1 30 THR HG1 5.000 . 7.500 5.938 4.446 6.777 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 29 LEU H 1 32 LEU H 5.000 . 5.500 4.724 4.610 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 29 LEU H 1 32 LEU HB3 5.000 . 7.000 5.195 4.816 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 29 LEU H 1 33 LEU MD1 5.000 . 7.500 5.084 4.404 5.993 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 29 LEU HA 1 29 LEU MD1 2.800 . 5.300 2.363 2.126 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 29 LEU HA 1 29 LEU HG 2.800 . 5.300 3.274 3.017 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 29 LEU HA 1 30 THR H 5.000 . 5.500 3.473 3.366 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 29 LEU HA 1 32 LEU H 4.000 . 4.500 4.154 3.819 4.528 0.028 23 0 "[ . 1 . 2 . 3]" 1
523 1 29 LEU HA 1 32 LEU HB3 5.000 . 7.000 3.447 3.068 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 29 LEU HA 1 33 LEU H 5.000 . 5.500 3.854 3.478 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 29 LEU HA 1 33 LEU HG 5.000 . 7.500 4.763 2.801 6.177 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 29 LEU HB2 1 30 THR H 5.000 . 7.000 4.207 3.776 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 29 LEU HB2 1 32 LEU H 5.000 . 7.000 6.225 5.977 6.499 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 29 LEU HB3 1 29 LEU HG 2.800 . 5.300 2.519 2.437 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 29 LEU HB3 1 30 THR H 4.000 . 6.000 3.076 2.435 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 29 LEU HB3 1 47 ILE MG 2.800 . 5.300 5.522 5.415 5.591 0.291 15 0 "[ . 1 . 2 . 3]" 1
531 1 29 LEU MD1 1 30 THR H 4.000 . 6.500 4.478 4.067 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 29 LEU MD1 1 40 ILE H 5.000 . 7.500 7.450 7.050 7.624 0.124 23 0 "[ . 1 . 2 . 3]" 1
533 1 29 LEU HG 1 33 LEU H 5.000 . 7.500 5.719 4.661 6.255 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 29 LEU HG 1 33 LEU HG 5.000 . 7.500 5.822 3.296 6.989 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 30 THR H 1 30 THR HB 2.800 . 5.300 3.431 2.551 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 30 THR H 1 30 THR HG1 2.800 . 5.300 3.386 2.275 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 30 THR H 1 31 ARG H 4.000 . 4.500 2.310 2.028 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 30 THR H 1 31 ARG HA 5.000 . 5.500 4.951 4.749 5.262 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 30 THR H 1 31 ARG HD3 5.000 . 7.500 5.502 3.510 6.703 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 30 THR H 1 32 LEU HB3 5.000 . 7.000 5.481 4.981 5.841 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 30 THR H 1 33 LEU MD1 4.000 . 6.500 4.650 4.187 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 30 THR HA 1 30 THR HG1 2.800 . 5.300 3.590 2.324 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 30 THR HA 1 33 LEU HB2 5.000 . 7.000 4.106 2.728 6.949 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 30 THR HA 1 33 LEU MD1 4.000 . 6.500 3.945 2.431 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 30 THR HB 1 30 THR HG1 2.800 . 5.300 2.323 2.080 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 30 THR HB 1 31 ARG H 5.000 . 7.500 3.774 3.097 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 30 THR HG1 1 31 ARG H 2.800 . 5.300 3.267 2.401 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 30 THR HG1 1 33 LEU H 5.000 . 7.500 6.955 6.167 7.505 0.005 17 0 "[ . 1 . 2 . 3]" 1
549 1 30 THR HG1 1 34 GLN H 4.000 . 6.500 6.354 5.667 6.573 0.073 22 0 "[ . 1 . 2 . 3]" 1
550 1 30 THR HG1 1 34 GLN HE21 5.000 . 7.500 6.641 5.264 7.575 0.075 4 0 "[ . 1 . 2 . 3]" 1
551 1 30 THR HG1 1 34 GLN HE22 5.000 . 7.500 6.622 4.430 7.563 0.063 14 0 "[ . 1 . 2 . 3]" 1
552 1 30 THR HG1 1 34 GLN HG2 4.000 . 6.500 6.014 4.393 6.556 0.056 20 0 "[ . 1 . 2 . 3]" 1
553 1 31 ARG H 1 31 ARG HB2 4.000 . 6.000 2.988 2.471 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 31 ARG H 1 31 ARG HB3 4.000 . 6.000 3.278 2.202 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 31 ARG H 1 31 ARG HD3 5.000 . 7.500 4.143 2.373 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 31 ARG H 1 31 ARG HG2 4.000 . 6.500 2.672 1.688 4.184 0.112 7 0 "[ . 1 . 2 . 3]" 1
557 1 31 ARG H 1 32 LEU H 4.000 . 4.500 2.655 2.381 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 31 ARG H 1 32 LEU MD1 5.000 . 7.500 6.180 5.899 6.636 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 31 ARG H 1 32 LEU MD2 5.000 . 7.500 6.062 5.779 6.509 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 31 ARG HA 1 31 ARG HD3 2.800 . 5.300 4.619 3.841 5.477 0.177 24 0 "[ . 1 . 2 . 3]" 1
561 1 31 ARG HA 1 31 ARG HG2 4.000 . 6.500 3.239 2.610 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 31 ARG HA 1 32 LEU MD1 4.000 . 6.500 6.511 6.435 6.569 0.069 17 0 "[ . 1 . 2 . 3]" 1
563 1 31 ARG HA 1 34 GLN H 5.000 . 5.500 4.140 3.543 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 31 ARG HA 1 35 THR H 5.000 . 5.500 4.361 3.900 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 31 ARG HB2 1 31 ARG HD3 4.000 . 6.500 3.371 2.541 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 31 ARG HB2 1 32 LEU H 4.000 . 6.000 2.615 1.877 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 31 ARG HD3 1 31 ARG HG2 2.800 . 5.300 2.586 2.245 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 31 ARG HD3 1 32 LEU H 5.000 . 7.500 4.875 2.503 5.850 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 31 ARG HG2 1 32 LEU H 4.000 . 6.500 3.775 2.545 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 31 ARG HG2 1 34 GLN H 5.000 . 7.500 6.548 5.848 7.626 0.126 3 0 "[ . 1 . 2 . 3]" 1
571 1 32 LEU H 1 32 LEU HA 2.800 . 3.300 2.744 2.659 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 32 LEU H 1 32 LEU HB3 2.800 . 4.800 2.671 2.463 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 32 LEU H 1 32 LEU MD1 4.000 . 6.500 4.247 4.110 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 32 LEU H 1 32 LEU MD2 4.000 . 6.500 3.837 3.630 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 32 LEU H 1 32 LEU HG 4.000 . 6.500 4.484 4.431 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 32 LEU H 1 33 LEU H 4.000 . 4.500 3.048 2.763 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 32 LEU H 1 34 GLN H 5.000 . 5.500 4.488 4.003 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 32 LEU HA 1 32 LEU MD1 2.800 . 5.300 3.049 2.392 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 32 LEU HA 1 33 LEU H 5.000 . 5.500 3.562 3.546 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 32 LEU HB2 1 32 LEU MD1 2.800 . 5.300 3.156 2.218 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 32 LEU MD1 1 33 LEU HB3 2.500 . 5.000 4.531 3.026 5.064 0.064 12 0 "[ . 1 . 2 . 3]" 1
582 1 32 LEU MD1 1 35 THR HB 5.000 . 7.500 5.855 4.517 7.295 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 32 LEU MD1 1 35 THR HG1 4.000 . 6.500 5.351 3.909 6.543 0.043 22 0 "[ . 1 . 2 . 3]" 1
584 1 32 LEU MD1 1 36 LYS H 5.000 . 7.500 4.400 3.838 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 32 LEU MD1 1 36 LYS HE2 5.000 . 7.500 3.740 2.486 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 32 LEU MD1 1 36 LYS HE3 5.000 . 7.500 3.683 2.773 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 32 LEU MD1 1 42 ALA H 5.000 . 7.500 3.894 3.422 5.797 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 32 LEU MD1 1 43 ALA H 4.000 . 6.500 3.165 2.569 5.409 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 32 LEU MD1 1 43 ALA HA 5.000 . 7.500 2.416 1.979 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 32 LEU MD1 1 46 THR H 5.000 . 7.500 4.920 4.278 5.484 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 32 LEU MD1 1 46 THR HG1 2.800 . 5.300 4.301 3.651 5.080 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 32 LEU MD1 1 47 ILE H 5.000 . 7.500 6.238 5.530 6.801 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 32 LEU MD2 1 38 TYR H 5.000 . 7.500 7.211 6.806 7.547 0.047 13 0 "[ . 1 . 2 . 3]" 1
594 1 32 LEU MD2 1 41 GLY H 5.000 . 7.500 7.450 6.126 7.594 0.094 24 0 "[ . 1 . 2 . 3]" 1
595 1 32 LEU MD2 1 42 ALA H 5.000 . 7.500 5.540 4.401 5.969 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 32 LEU MD2 1 43 ALA H 4.000 . 6.500 5.159 3.420 5.512 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 32 LEU MD2 1 46 THR H 5.000 . 7.500 5.451 3.890 6.038 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 32 LEU MD2 1 47 ILE H 5.000 . 7.500 6.998 4.946 7.577 0.077 8 0 "[ . 1 . 2 . 3]" 1
599 1 32 LEU HG 1 33 LEU H 5.000 . 7.500 4.404 2.878 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 33 LEU H 1 33 LEU HB2 4.000 . 6.500 2.523 2.226 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 33 LEU H 1 33 LEU MD1 5.000 . 7.500 2.459 1.801 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 33 LEU H 1 33 LEU MD2 5.000 . 7.500 3.734 3.107 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 33 LEU H 1 33 LEU HG 4.000 . 6.500 3.107 1.762 3.959 0.038 22 0 "[ . 1 . 2 . 3]" 1
604 1 33 LEU H 1 34 GLN H 5.000 . 5.500 2.871 2.626 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 33 LEU H 1 36 LYS HD2 4.000 . 6.500 5.845 4.388 6.540 0.040 6 0 "[ . 1 . 2 . 3]" 1
606 1 33 LEU HA 1 33 LEU MD2 2.500 . 5.000 3.389 2.020 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 33 LEU HA 1 33 LEU HG 4.000 . 6.500 2.705 2.409 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 33 LEU HA 1 36 LYS H 5.000 . 5.500 3.569 2.748 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 33 LEU HB2 1 33 LEU MD2 2.800 . 5.300 2.613 2.310 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 33 LEU HB2 1 38 TYR H 5.000 . 7.000 4.794 3.433 5.873 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 33 LEU HB2 1 38 TYR QD 6.000 . 8.500 3.705 2.006 5.325 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 33 LEU HB2 1 38 TYR QE 6.000 . 8.500 4.871 3.176 6.552 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 33 LEU HB3 1 34 GLN H 5.000 . 7.000 3.343 2.706 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 33 LEU HB3 1 38 TYR QD 5.000 . 7.500 3.002 1.763 6.038 0.037 26 0 "[ . 1 . 2 . 3]" 1
615 1 33 LEU HB3 1 40 ILE H 5.000 . 7.000 6.347 4.968 7.067 0.067 15 0 "[ . 1 . 2 . 3]" 1
616 1 33 LEU MD1 1 34 GLN H 5.000 . 7.500 3.804 2.069 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 33 LEU MD1 1 36 LYS H 5.000 . 7.500 5.770 4.637 6.741 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 33 LEU MD1 1 38 TYR H 5.000 . 7.500 5.518 4.071 6.353 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 33 LEU MD1 1 38 TYR QE 6.000 . 8.500 5.501 3.375 7.497 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 33 LEU MD1 1 40 ILE H 5.000 . 7.500 5.901 5.243 7.012 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 33 LEU MD1 1 40 ILE MD 4.000 . 6.500 5.497 3.763 6.568 0.068 22 0 "[ . 1 . 2 . 3]" 1
622 1 33 LEU MD2 1 34 GLN H 5.000 . 7.500 4.535 4.199 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 33 LEU MD2 1 38 TYR H 4.000 . 6.500 4.947 4.130 6.094 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 33 LEU MD2 1 38 TYR HA 4.000 . 6.500 3.121 2.397 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 33 LEU MD2 1 38 TYR HB2 5.000 . 7.500 4.862 4.285 6.397 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 33 LEU MD2 1 38 TYR QD 6.000 . 8.500 3.522 2.430 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 33 LEU MD2 1 39 ASP H 5.000 . 7.500 3.678 2.586 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 33 LEU MD2 1 39 ASP HB2 4.000 . 6.500 5.632 4.217 6.519 0.019 15 0 "[ . 1 . 2 . 3]" 1
629 1 33 LEU MD2 1 40 ILE H 4.000 . 6.500 4.613 3.829 5.824 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 33 LEU MD2 1 40 ILE HA 4.000 . 6.500 3.616 2.874 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 33 LEU MD2 1 41 GLY H 5.000 . 7.500 5.744 4.739 7.168 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 33 LEU MD2 1 42 ALA H 5.000 . 7.500 6.006 4.679 7.390 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 33 LEU MD2 1 43 ALA MB 2.800 . 5.300 2.740 1.810 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 33 LEU HG 1 40 ILE H 5.000 . 7.500 5.660 4.528 7.556 0.056 12 0 "[ . 1 . 2 . 3]" 1
635 1 34 GLN H 1 34 GLN HA 2.800 . 3.300 2.727 2.635 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 34 GLN H 1 34 GLN HB2 2.800 . 4.800 2.276 2.012 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 34 GLN H 1 34 GLN HB3 4.000 . 6.000 3.170 2.461 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 34 GLN H 1 34 GLN HG2 4.000 . 6.500 4.035 2.044 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 34 GLN H 1 34 GLN HG3 4.000 . 6.500 3.985 2.157 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 34 GLN H 1 35 THR H 5.000 . 5.500 2.991 2.241 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 34 GLN H 1 38 TYR QE 5.000 . 7.500 4.758 3.711 5.928 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 34 GLN HA 1 34 GLN HB3 2.800 . 4.800 2.812 2.378 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 34 GLN HA 1 34 GLN HG3 4.000 . 6.500 2.729 2.099 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 34 GLN HA 1 35 THR H 5.000 . 5.500 3.552 3.478 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 34 GLN HA 1 38 TYR QE 5.000 . 7.500 3.372 1.852 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 34 GLN HB2 1 35 THR H 5.000 . 7.500 3.178 2.023 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 34 GLN HB2 1 39 ASP H 5.000 . 7.000 7.164 7.021 7.313 0.313 25 0 "[ . 1 . 2 . 3]" 1
648 1 34 GLN HB3 1 34 GLN HE22 5.000 . 7.500 4.719 3.394 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 34 GLN HB3 1 35 THR H 5.000 . 7.000 2.858 2.095 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 34 GLN HE21 1 37 ASN H 5.000 . 7.500 6.860 5.536 7.569 0.069 17 0 "[ . 1 . 2 . 3]" 1
651 1 34 GLN HE21 1 38 TYR H 5.000 . 7.500 5.348 4.614 5.980 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 34 GLN HE21 1 38 TYR QE 5.000 . 7.500 2.683 1.751 4.201 0.049 28 0 "[ . 1 . 2 . 3]" 1
653 1 34 GLN HE21 1 39 ASP H 5.000 . 7.500 7.071 5.901 7.641 0.141 3 0 "[ . 1 . 2 . 3]" 1
654 1 34 GLN HE22 1 34 GLN HG2 4.000 . 6.500 3.917 3.406 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 34 GLN HE22 1 34 GLN HG3 4.000 . 6.500 3.807 3.440 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 34 GLN HG2 1 35 THR H 5.000 . 7.500 4.747 4.002 5.274 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 34 GLN HG2 1 38 TYR QE 5.000 . 7.500 4.631 3.348 5.823 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 34 GLN HG3 1 35 THR H 5.000 . 7.500 4.439 3.360 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 34 GLN HG3 1 38 TYR QE 5.000 . 7.500 4.072 1.914 5.698 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 35 THR H 1 35 THR HB 4.000 . 6.500 3.124 2.555 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 35 THR H 1 35 THR HG1 4.000 . 6.500 2.512 1.881 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 35 THR H 1 36 LYS H 5.000 . 5.500 2.564 2.099 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 35 THR H 1 36 LYS HB2 5.000 . 7.000 4.739 4.006 6.480 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 35 THR H 1 37 ASN H 5.000 . 5.500 4.579 4.302 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 35 THR H 1 38 TYR H 5.000 . 5.500 4.766 4.472 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 35 THR HA 1 35 THR HB 2.800 . 5.300 2.750 2.399 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 35 THR HA 1 36 LYS H 4.000 . 4.500 3.420 3.282 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 35 THR HA 1 38 TYR H 5.000 . 5.500 5.435 5.030 5.592 0.092 14 0 "[ . 1 . 2 . 3]" 1
669 1 35 THR HB 1 35 THR HG1 2.800 . 5.300 2.337 2.090 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 35 THR HB 1 36 LYS H 5.000 . 7.500 3.545 2.380 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 35 THR HG1 1 36 LYS H 5.000 . 7.500 3.832 2.270 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 36 LYS H 1 37 ASN H 4.000 . 4.500 2.861 1.948 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 36 LYS H 1 37 ASN HA 5.000 . 5.500 4.746 4.328 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 36 LYS H 1 38 TYR H 5.000 . 5.500 3.357 2.854 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 36 LYS H 1 39 ASP H 5.000 . 5.500 4.193 3.701 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 36 LYS HA 1 36 LYS HD2 5.000 . 7.500 4.164 2.585 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 36 LYS HA 1 36 LYS HD3 2.800 . 5.300 4.329 3.758 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 36 LYS HA 1 37 ASN H 4.000 . 4.500 2.865 2.781 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 36 LYS HA 1 38 TYR H 5.000 . 5.500 4.703 4.373 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 36 LYS HA 1 39 ASP H 5.000 . 5.500 5.229 4.872 5.560 0.060 25 0 "[ . 1 . 2 . 3]" 1
681 1 36 LYS HB2 1 37 ASN H 4.000 . 6.000 4.168 2.914 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 36 LYS HB3 1 38 TYR H 5.000 . 7.000 4.828 4.110 6.405 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 36 LYS HB3 1 39 ASP H 4.000 . 6.000 3.840 2.785 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 36 LYS HB3 1 42 ALA MB 4.000 . 6.500 4.028 3.101 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 36 LYS HD2 1 38 TYR H 5.000 . 7.500 6.516 5.548 7.548 0.048 28 0 "[ . 1 . 2 . 3]" 1
686 1 36 LYS HD2 1 39 ASP H 5.000 . 7.500 5.530 3.979 6.678 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 36 LYS HD3 1 36 LYS HE2 2.800 . 5.300 2.630 2.402 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 36 LYS HD3 1 38 TYR H 4.000 . 6.500 6.369 5.884 6.658 0.158 24 0 "[ . 1 . 2 . 3]" 1
689 1 36 LYS HE3 1 39 ASP H 5.000 . 7.500 6.713 4.405 7.538 0.038 6 0 "[ . 1 . 2 . 3]" 1
690 1 36 LYS HE3 1 43 ALA H 5.000 . 7.500 6.523 5.113 7.502 0.002 17 0 "[ . 1 . 2 . 3]" 1
691 1 37 ASN H 1 37 ASN HA 2.500 . 3.000 2.276 2.239 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 37 ASN H 1 37 ASN HB2 2.800 . 4.800 3.728 3.104 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 37 ASN H 1 37 ASN HB3 2.800 . 4.800 3.241 2.878 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 37 ASN H 1 38 TYR H 2.800 . 3.300 2.796 1.633 3.148 0.167 30 0 "[ . 1 . 2 . 3]" 1
695 1 37 ASN H 1 38 TYR QD 5.000 . 7.500 5.021 3.887 5.745 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 37 ASN H 1 39 ASP H 5.000 . 5.500 4.875 3.444 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 37 ASN HA 1 37 ASN HD22 5.000 . 7.500 5.015 4.542 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 37 ASN HA 1 38 TYR H 2.800 . 3.300 2.746 2.524 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 37 ASN HA 1 38 TYR QE 5.000 . 7.500 4.453 3.780 5.539 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 37 ASN HA 1 39 ASP H 5.000 . 5.500 5.282 4.763 5.613 0.113 17 0 "[ . 1 . 2 . 3]" 1
701 1 37 ASN HB2 1 38 TYR H 4.000 . 6.000 4.496 4.348 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 37 ASN HD22 1 40 ILE H 5.000 . 7.500 7.357 6.230 7.693 0.193 3 0 "[ . 1 . 2 . 3]" 1
703 1 38 TYR H 1 38 TYR HA 2.800 . 3.300 2.262 2.237 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 38 TYR H 1 38 TYR HB3 2.800 . 4.800 4.049 3.955 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 38 TYR H 1 38 TYR QD 2.800 . 5.300 3.317 2.117 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 38 TYR H 1 38 TYR QE 6.000 . 8.500 4.652 4.206 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 38 TYR H 1 39 ASP H 2.800 . 3.300 2.968 2.461 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 38 TYR H 1 39 ASP HA 5.000 . 5.500 5.170 4.786 5.418 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 38 TYR H 1 40 ILE MD 5.000 . 7.500 6.895 6.258 7.606 0.106 8 0 "[ . 1 . 2 . 3]" 1
710 1 38 TYR HA 1 38 TYR HB2 2.800 . 4.800 3.024 3.017 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 38 TYR HA 1 38 TYR HB3 2.800 . 5.300 2.469 2.380 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 38 TYR HA 1 38 TYR QD 4.000 . 6.500 2.662 2.140 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 38 TYR HA 1 39 ASP H 4.000 . 4.500 2.438 2.281 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 38 TYR HB3 1 39 ASP HA 4.000 . 6.000 4.905 4.685 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 38 TYR QD 1 39 ASP H 5.000 . 7.500 4.721 4.138 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 39 ASP H 1 39 ASP HA 2.800 . 3.300 2.926 2.839 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 39 ASP H 1 39 ASP HB2 2.800 . 4.800 2.873 2.301 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 39 ASP H 1 39 ASP HB3 2.800 . 4.800 2.787 2.431 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 39 ASP H 1 40 ILE H 4.000 . 4.500 4.443 4.290 4.528 0.028 3 0 "[ . 1 . 2 . 3]" 1
720 1 39 ASP H 1 40 ILE HB 5.000 . 7.500 7.294 7.070 7.518 0.018 14 0 "[ . 1 . 2 . 3]" 1
721 1 39 ASP H 1 40 ILE MD 5.000 . 7.500 5.128 4.680 6.221 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 39 ASP H 1 40 ILE HG12 5.000 . 7.500 6.523 5.241 6.999 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 39 ASP H 1 42 ALA H 5.000 . 5.500 5.378 4.970 5.553 0.053 8 0 "[ . 1 . 2 . 3]" 1
724 1 39 ASP H 1 42 ALA MB 2.800 . 5.300 5.127 4.756 5.342 0.042 11 0 "[ . 1 . 2 . 3]" 1
725 1 39 ASP H 1 43 ALA H 5.000 . 5.500 5.531 5.352 5.610 0.110 30 0 "[ . 1 . 2 . 3]" 1
726 1 39 ASP H 1 43 ALA MB 5.000 . 7.500 4.556 4.338 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 39 ASP HA 1 40 ILE H 2.500 . 3.000 2.136 2.088 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 39 ASP HA 1 41 GLY H 4.000 . 4.500 3.300 3.024 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 39 ASP HA 1 42 ALA H 5.000 . 5.500 4.751 4.213 5.205 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 39 ASP HA 1 43 ALA H 5.000 . 5.500 5.386 4.988 5.610 0.110 3 0 "[ . 1 . 2 . 3]" 1
731 1 39 ASP HB2 1 40 ILE H 5.000 . 7.500 4.014 2.560 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 39 ASP HB2 1 41 GLY H 5.000 . 7.000 3.915 2.130 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 39 ASP HB2 1 42 ALA H 4.000 . 6.000 4.230 2.831 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 39 ASP HB2 1 42 ALA MB 4.000 . 6.500 4.368 3.703 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 39 ASP HB2 1 44 LEU MD1 5.000 . 7.500 7.547 6.487 7.694 0.194 28 0 "[ . 1 . 2 . 3]" 1
736 1 39 ASP HB3 1 40 ILE H 4.000 . 6.000 4.011 3.298 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 39 ASP HB3 1 41 GLY H 5.000 . 7.000 3.702 2.154 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 39 ASP HB3 1 42 ALA H 4.000 . 6.000 3.400 2.522 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 39 ASP HB3 1 42 ALA MB 2.800 . 5.300 3.515 2.688 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 39 ASP HB3 1 43 ALA H 5.000 . 7.000 4.361 3.519 6.028 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 40 ILE H 1 40 ILE HA 2.800 . 3.300 2.920 2.906 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 40 ILE H 1 40 ILE HB 2.800 . 5.300 3.604 2.784 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 40 ILE H 1 40 ILE MD 2.500 . 5.000 2.090 1.773 3.385 0.027 7 0 "[ . 1 . 2 . 3]" 1
744 1 40 ILE H 1 40 ILE HG12 2.800 . 5.300 2.140 1.690 2.548 0.110 22 0 "[ . 1 . 2 . 3]" 1
745 1 40 ILE H 1 40 ILE HG13 2.800 . 5.300 3.537 3.044 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 40 ILE H 1 41 GLY H 2.800 . 3.300 2.159 2.049 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 40 ILE H 1 41 GLY HA2 4.000 . 4.500 4.641 4.561 4.691 0.191 26 0 "[ . 1 . 2 . 3]" 1
748 1 40 ILE H 1 41 GLY HA3 4.000 . 4.500 4.395 4.322 4.530 0.030 26 0 "[ . 1 . 2 . 3]" 1
749 1 40 ILE H 1 42 ALA H 5.000 . 5.500 4.289 3.987 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 40 ILE H 1 42 ALA MB 4.000 . 6.500 5.660 5.333 5.901 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 40 ILE H 1 43 ALA MB 2.800 . 5.300 4.148 3.906 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 40 ILE HA 1 40 ILE HG13 2.800 . 5.300 4.218 3.933 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 40 ILE HA 1 40 ILE MG 2.800 . 5.300 2.142 2.017 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 40 ILE HA 1 41 GLY H 4.000 . 4.500 3.327 3.261 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 40 ILE HA 1 42 ALA H 4.000 . 4.500 3.996 3.777 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 40 ILE HA 1 43 ALA H 2.800 . 3.300 2.843 2.596 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 40 ILE HB 1 40 ILE MD 2.800 . 5.300 3.151 2.707 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 40 ILE HB 1 41 GLY H 2.800 . 5.300 4.012 3.006 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 40 ILE MD 1 41 GLY H 2.800 . 5.300 3.757 3.242 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 40 ILE MD 1 42 ALA H 4.000 . 6.500 5.684 5.393 6.368 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 40 ILE HG12 1 41 GLY H 4.000 . 6.500 2.839 2.457 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 40 ILE HG12 1 42 ALA H 2.800 . 5.300 5.231 4.996 5.579 0.279 28 0 "[ . 1 . 2 . 3]" 1
763 1 40 ILE HG13 1 41 GLY H 4.000 . 6.500 4.394 3.638 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 40 ILE MG 1 43 ALA H 2.800 . 5.300 4.550 4.399 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 41 GLY H 1 41 GLY HA2 2.500 . 3.000 2.811 2.774 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 41 GLY H 1 41 GLY HA3 2.500 . 3.000 2.299 2.286 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 41 GLY H 1 42 ALA H 2.800 . 3.300 2.597 2.324 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 41 GLY H 1 42 ALA HA 5.000 . 5.500 5.243 5.038 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 41 GLY H 1 42 ALA MB 4.000 . 6.500 4.409 4.145 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 41 GLY H 1 44 LEU H 5.000 . 5.500 4.774 4.575 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 41 GLY H 1 44 LEU HB2 5.000 . 7.000 5.567 5.077 6.601 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 41 GLY HA2 1 42 ALA H 2.800 . 3.300 3.476 3.447 3.500 0.200 25 0 "[ . 1 . 2 . 3]" 1
773 1 41 GLY HA2 1 44 LEU H 5.000 . 5.500 4.174 3.994 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 41 GLY HA2 1 45 ASP H 5.000 . 5.500 5.229 4.695 5.558 0.058 23 0 "[ . 1 . 2 . 3]" 1
775 1 41 GLY HA3 1 42 ALA H 2.800 . 3.300 2.792 2.642 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 41 GLY HA3 1 43 ALA H 4.000 . 4.500 4.383 4.150 4.565 0.065 28 0 "[ . 1 . 2 . 3]" 1
777 1 42 ALA H 1 42 ALA HA 2.500 . 3.000 2.926 2.897 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 42 ALA H 1 42 ALA MB 2.500 . 5.000 2.296 2.183 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 42 ALA H 1 43 ALA H 2.800 . 3.300 2.110 2.000 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 42 ALA H 1 43 ALA MB 2.800 . 5.300 3.780 3.683 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 42 ALA H 1 44 LEU H 5.000 . 5.500 4.077 3.859 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 42 ALA H 1 45 ASP HB2 5.000 . 7.000 5.768 5.146 6.440 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 42 ALA H 1 45 ASP HB3 4.000 . 6.000 5.614 5.129 6.046 0.046 5 0 "[ . 1 . 2 . 3]" 1
784 1 42 ALA HA 1 43 ALA H 2.800 . 3.300 3.396 3.338 3.435 0.135 22 0 "[ . 1 . 2 . 3]" 1
785 1 42 ALA HA 1 45 ASP H 2.800 . 3.300 3.345 3.157 3.429 0.129 26 0 "[ . 1 . 2 . 3]" 1
786 1 42 ALA HA 1 45 ASP HB2 4.000 . 6.500 3.137 2.638 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 42 ALA HA 1 45 ASP HB3 2.800 . 4.800 3.022 2.464 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 42 ALA MB 1 43 ALA H 2.500 . 5.000 3.012 2.865 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 42 ALA MB 1 46 THR H 5.000 . 7.500 4.985 4.355 5.487 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 43 ALA H 1 43 ALA HA 2.800 . 3.300 2.845 2.781 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 43 ALA H 1 43 ALA MB 2.800 . 5.300 2.181 2.122 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 43 ALA H 1 44 LEU H 2.800 . 3.300 2.592 2.469 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 43 ALA H 1 44 LEU MD1 4.000 . 6.500 4.076 3.710 5.574 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 43 ALA H 1 45 ASP H 5.000 . 5.500 3.942 3.637 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 43 ALA H 1 46 THR HG1 4.000 . 6.500 5.836 5.274 6.513 0.013 18 0 "[ . 1 . 2 . 3]" 1
796 1 43 ALA H 1 47 ILE MD 5.000 . 7.500 5.674 4.747 6.673 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 43 ALA HA 1 46 THR H 4.000 . 4.500 3.575 3.214 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 43 ALA HA 1 47 ILE H 5.000 . 5.500 4.641 3.942 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 43 ALA MB 1 44 LEU H 4.000 . 6.500 2.572 2.252 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 43 ALA MB 1 45 ASP H 5.000 . 7.500 4.364 4.205 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 43 ALA MB 1 46 THR H 5.000 . 7.500 4.614 4.347 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 43 ALA MB 1 47 ILE H 5.000 . 7.500 4.848 4.243 5.413 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 44 LEU H 1 44 LEU HB3 4.000 . 6.000 3.466 2.923 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 44 LEU H 1 44 LEU MD1 4.000 . 6.500 2.387 1.948 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 44 LEU H 1 44 LEU MD2 4.000 . 6.500 3.880 2.968 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 44 LEU H 1 44 LEU HG 4.000 . 6.500 4.035 2.274 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 44 LEU H 1 45 ASP H 4.000 . 4.500 2.577 2.381 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 44 LEU HA 1 44 LEU MD1 2.800 . 5.300 2.446 2.022 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 44 LEU HA 1 45 ASP H 4.000 . 4.500 3.469 3.380 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 44 LEU HA 1 46 THR H 5.000 . 5.500 4.124 3.788 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 44 LEU HA 1 47 ILE H 4.000 . 4.500 3.278 2.931 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 44 LEU HA 1 48 GLN H 5.000 . 5.500 4.838 3.918 5.598 0.098 11 0 "[ . 1 . 2 . 3]" 1
813 1 44 LEU HA 1 49 TYR H 5.000 . 5.500 4.484 3.902 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 44 LEU HA 1 49 TYR HA 5.000 . 7.500 6.651 5.991 7.450 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 44 LEU HB2 1 45 ASP H 4.000 . 6.000 3.087 2.744 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 44 LEU HB2 1 47 ILE H 5.000 . 7.000 5.655 5.397 5.980 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 44 LEU HB2 1 49 TYR H 5.000 . 7.000 6.018 5.108 7.040 0.040 16 0 "[ . 1 . 2 . 3]" 1
818 1 44 LEU HB3 1 45 ASP H 4.000 . 6.000 3.485 2.831 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 44 LEU HB3 1 49 TYR QD 6.000 . 8.500 3.078 1.760 4.687 0.040 19 0 "[ . 1 . 2 . 3]" 1
820 1 44 LEU MD1 1 45 ASP H 5.000 . 7.500 4.279 4.000 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 44 LEU MD1 1 45 ASP HB3 5.000 . 7.500 6.298 5.939 6.865 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 44 LEU MD1 1 47 ILE H 5.000 . 7.500 5.088 4.541 6.367 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 44 LEU MD1 1 48 GLN H 5.000 . 7.500 6.454 5.628 7.009 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 44 LEU MD1 1 48 GLN HE22 5.000 . 7.500 7.235 5.946 7.640 0.140 8 0 "[ . 1 . 2 . 3]" 1
825 1 44 LEU MD1 1 49 TYR H 5.000 . 7.500 5.987 5.422 6.548 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 44 LEU MD1 1 49 TYR HB2 4.000 . 6.500 5.142 4.149 6.205 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 44 LEU MD1 1 49 TYR HB3 4.000 . 6.500 6.179 4.983 6.662 0.162 25 0 "[ . 1 . 2 . 3]" 1
828 1 44 LEU MD1 1 49 TYR QD 4.000 . 6.500 4.418 3.628 5.752 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 44 LEU MD1 1 49 TYR QE 6.000 . 8.500 4.765 2.366 6.774 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 44 LEU MD2 1 45 ASP H 4.000 . 6.500 4.847 4.467 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 44 LEU MD2 1 49 TYR QD 5.000 . 7.500 3.563 2.397 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 44 LEU MD2 1 49 TYR QE 5.000 . 7.500 3.750 2.432 5.700 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 44 LEU HG 1 45 ASP H 5.000 . 7.500 5.131 4.305 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 45 ASP H 1 45 ASP HA 2.800 . 3.300 2.810 2.752 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 45 ASP H 1 45 ASP HB2 2.800 . 4.800 2.541 2.370 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 45 ASP H 1 45 ASP HB3 2.800 . 4.800 2.486 2.317 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 45 ASP H 1 46 THR H 2.800 . 3.300 2.685 2.273 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 45 ASP H 1 46 THR HA 5.000 . 5.500 5.262 4.931 5.432 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 45 ASP H 1 46 THR HG1 5.000 . 7.500 5.208 4.687 5.630 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 45 ASP H 1 47 ILE H 5.000 . 5.500 4.130 3.895 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 45 ASP HA 1 45 ASP HB2 2.800 . 4.800 2.449 2.362 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 45 ASP HA 1 46 THR H 4.000 . 4.500 3.524 3.465 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 45 ASP HA 1 46 THR HA 2.800 . 5.300 4.588 4.543 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 45 ASP HB2 1 46 THR H 4.000 . 6.000 3.947 3.723 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 45 ASP HB3 1 46 THR H 4.000 . 6.000 2.706 2.303 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 46 THR H 1 46 THR HA 2.800 . 3.300 2.889 2.761 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 46 THR H 1 46 THR HB 2.800 . 5.300 3.560 3.478 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 46 THR H 1 46 THR HG1 4.000 . 6.500 2.933 2.499 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 46 THR H 1 47 ILE H 4.000 . 4.500 2.499 2.310 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 46 THR H 1 47 ILE MG 5.000 . 7.500 4.548 4.185 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 46 THR H 1 48 GLN H 5.000 . 5.500 4.519 4.204 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 46 THR H 1 50 SER HA 5.000 . 5.500 5.417 4.863 5.595 0.095 29 0 "[ . 1 . 2 . 3]" 1
853 1 46 THR HA 1 46 THR HG1 2.800 . 5.300 3.802 3.685 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 46 THR HA 1 47 ILE H 4.000 . 4.500 3.467 3.349 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 46 THR HB 1 46 THR HG1 2.800 . 5.300 2.141 2.087 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 46 THR HB 1 47 ILE H 5.000 . 7.500 3.932 3.329 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 46 THR HB 1 48 GLN H 5.000 . 7.500 5.309 4.669 5.921 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 46 THR HG1 1 47 ILE H 5.000 . 7.500 3.275 2.596 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 47 ILE H 1 47 ILE MD 4.000 . 6.500 3.479 2.501 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 47 ILE H 1 47 ILE HG12 4.000 . 6.500 2.196 1.743 3.452 0.057 9 0 "[ . 1 . 2 . 3]" 1
861 1 47 ILE H 1 47 ILE HG13 5.000 . 7.500 2.604 1.743 3.045 0.057 27 0 "[ . 1 . 2 . 3]" 1
862 1 47 ILE H 1 47 ILE MG 4.000 . 6.500 3.011 2.602 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 47 ILE H 1 48 GLN H 4.000 . 4.500 2.755 2.091 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 47 ILE H 1 49 TYR H 4.000 . 4.500 3.733 3.161 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 47 ILE H 1 49 TYR HB2 5.000 . 7.000 4.875 4.192 7.067 0.067 25 0 "[ . 1 . 2 . 3]" 1
866 1 47 ILE H 1 49 TYR HB3 5.000 . 7.000 6.453 5.862 7.143 0.143 25 0 "[ . 1 . 2 . 3]" 1
867 1 47 ILE H 1 49 TYR QE 5.000 . 7.500 6.767 5.715 7.593 0.093 27 0 "[ . 1 . 2 . 3]" 1
868 1 47 ILE HA 1 48 GLN H 5.000 . 5.500 3.142 2.653 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 47 ILE HB 1 47 ILE MD 2.800 . 5.300 2.422 2.154 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 47 ILE MD 1 48 GLN H 5.000 . 7.500 4.403 2.180 5.479 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 47 ILE MD 1 49 TYR H 5.000 . 7.500 4.565 1.897 5.914 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 47 ILE MD 1 49 TYR HB2 4.000 . 6.500 4.812 2.153 6.164 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 47 ILE MD 1 49 TYR HB3 5.000 . 7.500 6.102 3.615 7.542 0.042 23 0 "[ . 1 . 2 . 3]" 1
874 1 47 ILE HG12 1 48 GLN H 5.000 . 7.500 4.082 2.980 5.691 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 47 ILE HG13 1 47 ILE MG 2.800 . 5.300 3.090 2.428 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 47 ILE MG 1 48 GLN H 5.000 . 7.500 4.305 4.184 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 47 ILE MG 1 49 TYR H 5.000 . 7.500 5.500 5.129 5.896 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 48 GLN H 1 48 GLN HA 2.800 . 3.300 2.597 2.250 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 48 GLN H 1 48 GLN HB2 4.000 . 6.000 3.316 2.841 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 48 GLN H 1 48 GLN HG3 4.000 . 6.500 3.566 2.653 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 48 GLN H 1 49 TYR H 4.000 . 4.500 2.231 1.729 2.723 0.071 27 0 "[ . 1 . 2 . 3]" 1
882 1 48 GLN H 1 49 TYR QD 4.000 . 6.500 4.430 3.179 5.572 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 48 GLN HA 1 49 TYR H 5.000 . 5.500 3.301 2.783 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 48 GLN HB2 1 49 TYR H 5.000 . 7.000 3.338 2.244 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 48 GLN HB3 1 48 GLN HE22 5.000 . 7.500 5.034 3.824 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 48 GLN HB3 1 49 TYR QD 6.000 . 8.500 4.249 2.680 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 48 GLN HB3 1 49 TYR QE 5.000 . 7.500 4.762 3.566 6.061 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 48 GLN HE22 1 49 TYR QE 5.000 . 7.500 6.424 4.990 7.551 0.051 26 0 "[ . 1 . 2 . 3]" 1
889 1 49 TYR H 1 49 TYR HB2 4.000 . 6.000 2.595 2.327 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 49 TYR H 1 49 TYR HB3 4.000 . 6.000 3.668 3.172 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 49 TYR H 1 49 TYR QE 5.000 . 7.500 4.826 3.726 5.814 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 49 TYR H 1 50 SER H 4.000 . 4.500 3.546 2.419 4.547 0.047 24 0 "[ . 1 . 2 . 3]" 1
893 1 49 TYR HA 1 49 TYR QD 4.000 . 6.500 2.647 1.895 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 49 TYR HA 1 50 SER H 2.500 . 3.000 2.617 2.100 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 49 TYR HA 1 51 LYS H 5.000 . 5.500 3.617 2.604 5.548 0.048 10 0 "[ . 1 . 2 . 3]" 1
896 1 49 TYR HB2 1 50 SER H 4.000 . 6.000 4.003 2.643 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 49 TYR HB3 1 50 SER H 4.000 . 6.000 3.700 1.770 4.429 0.030 16 0 "[ . 1 . 2 . 3]" 1
898 1 49 TYR QD 1 50 SER H 4.000 . 6.500 4.454 3.344 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 49 TYR QD 1 51 LYS H 5.000 . 7.500 4.785 3.154 5.672 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 49 TYR QE 1 50 SER H 5.000 . 7.500 6.423 5.563 6.818 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 49 TYR QE 1 51 LYS H 5.000 . 7.500 6.799 5.205 7.623 0.123 10 0 "[ . 1 . 2 . 3]" 1
902 1 50 SER H 1 50 SER HA 2.800 . 3.300 2.876 2.750 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 50 SER H 1 50 SER HB3 2.800 . 4.800 3.259 2.643 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 50 SER H 1 51 LYS H 2.800 . 3.300 2.668 1.779 3.355 0.055 26 0 "[ . 1 . 2 . 3]" 1
905 1 50 SER HA 1 50 SER HB3 2.800 . 4.800 2.652 2.332 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 50 SER HA 1 51 LYS H 2.500 . 3.000 2.940 2.230 3.241 0.241 20 0 "[ . 1 . 2 . 3]" 1
907 1 50 SER HB3 1 51 LYS H 2.800 . 4.800 4.252 3.483 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 51 LYS H 1 51 LYS HA 2.800 . 3.300 2.850 2.266 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 51 LYS H 1 51 LYS HB2 2.800 . 4.800 3.168 2.648 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 51 LYS H 1 51 LYS HB3 2.800 . 4.800 3.404 2.592 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 51 LYS H 1 51 LYS HG2 4.000 . 6.500 3.923 2.400 5.290 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 51 LYS H 1 52 HIS HA 4.000 . 4.500 4.454 3.886 4.760 0.260 27 0 "[ . 1 . 2 . 3]" 1
913 1 51 LYS HA 1 52 HIS H 2.500 . 3.000 2.469 2.129 3.179 0.179 20 0 "[ . 1 . 2 . 3]" 1
914 1 51 LYS HB3 1 52 HIS H 4.000 . 6.000 4.058 1.766 4.618 0.034 20 0 "[ . 1 . 2 . 3]" 1
915 1 51 LYS HD3 1 51 LYS HG2 2.800 . 5.300 2.584 2.370 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 51 LYS HD3 1 52 HIS H 4.000 . 6.500 5.107 2.306 6.546 0.046 21 0 "[ . 1 . 2 . 3]" 1
917 1 51 LYS HG2 1 52 HIS H 4.000 . 6.500 4.399 1.897 5.827 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 52 HIS H 1 52 HIS HA 2.800 . 3.300 2.760 2.241 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 52 HIS H 1 52 HIS HB3 4.000 . 6.000 3.315 2.501 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
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