NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543011 |
2lr8   |
18352 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lr8
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 876
_Distance_constraint_stats_list.Viol_count 420
_Distance_constraint_stats_list.Viol_total 770.262
_Distance_constraint_stats_list.Viol_max 0.436
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0917
_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 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.257 0.150 15 0 "[ . 1 . 2]"
1 9 LYS 0.270 0.150 15 0 "[ . 1 . 2]"
1 10 LYS 0.013 0.013 8 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.646 0.276 6 0 "[ . 1 . 2]"
1 13 ILE 2.841 0.332 16 0 "[ . 1 . 2]"
1 14 ILE 4.506 0.334 16 0 "[ . 1 . 2]"
1 15 ILE 3.753 0.334 16 0 "[ . 1 . 2]"
1 16 LEU 0.117 0.117 18 0 "[ . 1 . 2]"
1 17 TRP 3.817 0.270 17 0 "[ . 1 . 2]"
1 18 THR 2.298 0.178 15 0 "[ . 1 . 2]"
1 19 ARG 1.734 0.210 17 0 "[ . 1 . 2]"
1 20 ASN 0.536 0.210 17 0 "[ . 1 . 2]"
1 21 ASP 0.419 0.162 13 0 "[ . 1 . 2]"
1 22 ASP 1.134 0.205 19 0 "[ . 1 . 2]"
1 23 ARG 1.039 0.134 16 0 "[ . 1 . 2]"
1 24 VAL 1.385 0.184 10 0 "[ . 1 . 2]"
1 25 ILE 1.631 0.145 11 0 "[ . 1 . 2]"
1 26 LEU 2.711 0.206 8 0 "[ . 1 . 2]"
1 27 LEU 1.132 0.184 10 0 "[ . 1 . 2]"
1 28 GLU 1.488 0.140 20 0 "[ . 1 . 2]"
1 29 CYS 2.758 0.163 13 0 "[ . 1 . 2]"
1 30 GLN 0.525 0.114 16 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.018 0.018 10 0 "[ . 1 . 2]"
1 33 GLY 0.018 0.018 10 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.079 0.041 1 0 "[ . 1 . 2]"
1 36 SER 0.366 0.141 6 0 "[ . 1 . 2]"
1 37 LYS 0.079 0.041 1 0 "[ . 1 . 2]"
1 38 THR 4.063 0.257 15 0 "[ . 1 . 2]"
1 39 PHE 4.442 0.257 15 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.435 0.126 2 0 "[ . 1 . 2]"
1 42 LEU 1.979 0.145 11 0 "[ . 1 . 2]"
1 43 ALA 0.017 0.017 17 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 1.160 0.147 13 0 "[ . 1 . 2]"
1 46 LEU 1.422 0.164 14 0 "[ . 1 . 2]"
1 47 ASP 0.190 0.115 19 0 "[ . 1 . 2]"
1 48 LYS 1.356 0.173 11 0 "[ . 1 . 2]"
1 49 ASN 0.572 0.129 4 0 "[ . 1 . 2]"
1 50 PRO 0.131 0.075 10 0 "[ . 1 . 2]"
1 51 ASN 0.023 0.023 15 0 "[ . 1 . 2]"
1 52 GLN 0.601 0.103 19 0 "[ . 1 . 2]"
1 53 VAL 0.306 0.075 10 0 "[ . 1 . 2]"
1 54 SER 0.884 0.436 12 0 "[ . 1 . 2]"
1 55 GLU 1.335 0.436 12 0 "[ . 1 . 2]"
1 56 ARG 0.722 0.135 13 0 "[ . 1 . 2]"
1 57 PHE 5.408 0.300 10 0 "[ . 1 . 2]"
1 58 GLN 4.595 0.300 10 0 "[ . 1 . 2]"
1 59 GLN 2.376 0.219 17 0 "[ . 1 . 2]"
1 60 LEU 4.743 0.347 14 0 "[ . 1 . 2]"
1 61 MET 1.614 0.347 14 0 "[ . 1 . 2]"
1 62 LYS 0.019 0.019 6 0 "[ . 1 . 2]"
1 63 LEU 0.426 0.130 13 0 "[ . 1 . 2]"
1 64 PHE 0.539 0.130 13 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.146 0.146 18 0 "[ . 1 . 2]"
1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.146 0.146 18 0 "[ . 1 . 2]"
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 6 VAL HB 1 7 ILE H 5.990 . 5.990 4.215 3.289 4.566 . 0 0 "[ . 1 . 2]" 1
2 1 6 VAL MG1 1 7 ILE H 5.780 . 5.780 3.634 2.325 4.411 . 0 0 "[ . 1 . 2]" 1
3 1 7 ILE H 1 7 ILE HB 3.990 . 3.990 2.890 2.382 3.677 . 0 0 "[ . 1 . 2]" 1
4 1 7 ILE H 1 7 ILE HG12 4.730 . 4.730 3.578 2.070 4.515 . 0 0 "[ . 1 . 2]" 1
5 1 7 ILE H 1 7 ILE QG 4.130 . 4.130 3.082 2.041 4.048 . 0 0 "[ . 1 . 2]" 1
6 1 7 ILE H 1 7 ILE HG13 4.730 . 4.730 3.649 2.202 4.673 . 0 0 "[ . 1 . 2]" 1
7 1 7 ILE HA 1 7 ILE MD 4.420 . 4.420 3.465 2.128 4.270 . 0 0 "[ . 1 . 2]" 1
8 1 7 ILE HB 1 8 LYS H 5.460 . 5.460 4.153 2.661 4.585 . 0 0 "[ . 1 . 2]" 1
9 1 7 ILE QG 1 7 ILE MG 3.230 . 3.230 2.276 2.134 2.446 . 0 0 "[ . 1 . 2]" 1
10 1 7 ILE MG 1 8 LYS H 4.870 . 4.870 3.539 1.873 4.366 . 0 0 "[ . 1 . 2]" 1
11 1 8 LYS HA 1 9 LYS QB 4.750 . 4.750 4.387 3.845 4.900 0.150 15 0 "[ . 1 . 2]" 1
12 1 8 LYS QB 1 9 LYS H 4.990 . 4.990 3.322 2.113 4.098 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS HA 1 9 LYS QD 4.900 . 4.900 3.468 2.134 4.613 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS QB 1 10 LYS H 4.480 . 4.480 3.161 2.097 4.057 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS HB2 1 10 LYS H 5.190 . 5.190 3.805 2.513 4.676 . 0 0 "[ . 1 . 2]" 1
16 1 9 LYS HB3 1 10 LYS H 5.190 . 5.190 3.653 2.111 4.666 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS QD 1 10 LYS H 5.240 . 5.240 4.297 2.611 5.253 0.013 8 0 "[ . 1 . 2]" 1
18 1 11 GLY QA 1 12 GLU HA 5.340 . 5.340 4.080 3.988 4.184 . 0 0 "[ . 1 . 2]" 1
19 1 11 GLY QA 1 13 ILE H 6.200 . 6.200 4.884 3.224 6.041 . 0 0 "[ . 1 . 2]" 1
20 1 12 GLU H 1 13 ILE HA 6.000 . 6.000 5.397 4.824 6.215 0.215 14 0 "[ . 1 . 2]" 1
21 1 12 GLU HA 1 13 ILE H 3.530 . 3.530 2.416 2.139 3.238 . 0 0 "[ . 1 . 2]" 1
22 1 12 GLU HA 1 13 ILE MD 5.600 . 5.600 4.072 2.518 5.444 . 0 0 "[ . 1 . 2]" 1
23 1 12 GLU QB 1 13 ILE HA 5.280 . 5.280 4.641 4.289 5.395 0.115 14 0 "[ . 1 . 2]" 1
24 1 12 GLU QB 1 13 ILE MD 5.950 . 5.950 4.602 3.371 6.226 0.276 6 0 "[ . 1 . 2]" 1
25 1 12 GLU HB2 1 13 ILE H 5.690 . 5.690 4.102 2.599 4.705 . 0 0 "[ . 1 . 2]" 1
26 1 12 GLU HB3 1 13 ILE H 5.690 . 5.690 3.860 2.261 4.519 . 0 0 "[ . 1 . 2]" 1
27 1 12 GLU QG 1 13 ILE H 5.670 . 5.670 3.916 2.107 4.895 . 0 0 "[ . 1 . 2]" 1
28 1 13 ILE H 1 13 ILE HB 4.050 . 4.050 3.030 2.506 3.829 . 0 0 "[ . 1 . 2]" 1
29 1 13 ILE H 1 13 ILE MD 5.270 . 5.270 2.815 1.691 4.472 . 0 0 "[ . 1 . 2]" 1
30 1 13 ILE H 1 13 ILE HG12 5.180 . 5.180 3.399 1.952 4.649 . 0 0 "[ . 1 . 2]" 1
31 1 13 ILE H 1 13 ILE QG 4.400 . 4.400 2.753 1.825 3.636 . 0 0 "[ . 1 . 2]" 1
32 1 13 ILE H 1 13 ILE HG13 5.180 . 5.180 3.271 1.832 4.448 . 0 0 "[ . 1 . 2]" 1
33 1 13 ILE HA 1 14 ILE H 3.380 . 3.380 2.392 2.101 3.564 0.184 1 0 "[ . 1 . 2]" 1
34 1 13 ILE HB 1 14 ILE H 4.030 . 4.030 3.830 2.532 4.362 0.332 16 0 "[ . 1 . 2]" 1
35 1 13 ILE HB 1 15 ILE H 5.400 . 5.400 4.076 2.513 5.401 0.001 16 0 "[ . 1 . 2]" 1
36 1 13 ILE MG 1 14 ILE H 4.500 . 4.500 3.184 2.109 4.143 . 0 0 "[ . 1 . 2]" 1
37 1 13 ILE MG 1 15 ILE QG 5.870 . 5.870 4.262 2.453 5.901 0.031 15 0 "[ . 1 . 2]" 1
38 1 14 ILE H 1 14 ILE HG12 4.890 . 4.890 3.206 1.988 4.596 . 0 0 "[ . 1 . 2]" 1
39 1 14 ILE H 1 14 ILE HG13 4.890 . 4.890 3.436 1.863 4.874 . 0 0 "[ . 1 . 2]" 1
40 1 14 ILE H 1 15 ILE QG 5.810 . 5.810 4.145 2.907 5.546 . 0 0 "[ . 1 . 2]" 1
41 1 14 ILE HA 1 15 ILE H 3.300 . 3.300 3.204 2.233 3.528 0.228 4 0 "[ . 1 . 2]" 1
42 1 14 ILE HB 1 15 ILE MD 6.100 . 6.100 5.311 4.074 6.113 0.013 11 0 "[ . 1 . 2]" 1
43 1 14 ILE MD 1 15 ILE QG 5.500 . 5.500 4.330 1.915 5.834 0.334 16 0 "[ . 1 . 2]" 1
44 1 14 ILE QG 1 15 ILE QG 4.990 . 4.990 3.743 1.951 5.143 0.153 14 0 "[ . 1 . 2]" 1
45 1 15 ILE H 1 15 ILE HB 4.130 . 4.130 2.931 2.423 3.786 . 0 0 "[ . 1 . 2]" 1
46 1 15 ILE H 1 15 ILE MD 5.820 . 5.820 3.372 1.597 4.374 . 0 0 "[ . 1 . 2]" 1
47 1 15 ILE H 1 15 ILE HG12 4.890 . 4.890 3.406 2.029 4.132 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE H 1 15 ILE QG 4.290 . 4.290 2.469 1.967 3.359 . 0 0 "[ . 1 . 2]" 1
49 1 15 ILE H 1 15 ILE HG13 4.890 . 4.890 2.748 1.983 4.500 . 0 0 "[ . 1 . 2]" 1
50 1 15 ILE HA 1 16 LEU H 3.500 . 3.500 2.308 2.155 3.447 . 0 0 "[ . 1 . 2]" 1
51 1 15 ILE HA 1 16 LEU HA 6.000 . 6.000 4.484 4.372 5.318 . 0 0 "[ . 1 . 2]" 1
52 1 15 ILE HB 1 16 LEU H 6.100 . 6.100 3.998 3.215 4.405 . 0 0 "[ . 1 . 2]" 1
53 1 15 ILE HB 1 17 TRP HE1 5.180 . 5.180 2.710 2.188 3.809 . 0 0 "[ . 1 . 2]" 1
54 1 15 ILE MD 1 17 TRP HD1 6.200 . 6.200 4.130 2.559 5.837 . 0 0 "[ . 1 . 2]" 1
55 1 15 ILE MD 1 17 TRP HE1 5.550 . 5.550 2.995 1.733 4.907 . 0 0 "[ . 1 . 2]" 1
56 1 15 ILE MD 1 17 TRP HZ2 5.270 . 5.270 4.376 3.152 5.322 0.052 16 0 "[ . 1 . 2]" 1
57 1 15 ILE MD 1 48 LYS QE 5.740 . 5.740 5.431 4.576 5.913 0.173 11 0 "[ . 1 . 2]" 1
58 1 15 ILE MD 1 52 GLN QE 5.960 . 5.960 3.073 2.042 4.288 . 0 0 "[ . 1 . 2]" 1
59 1 15 ILE MG 1 16 LEU H 4.630 . 4.630 2.771 2.114 4.039 . 0 0 "[ . 1 . 2]" 1
60 1 15 ILE MG 1 17 TRP H 5.060 . 5.060 4.286 3.260 5.229 0.169 4 0 "[ . 1 . 2]" 1
61 1 15 ILE MG 1 17 TRP HA 6.300 . 6.300 4.555 3.328 6.337 0.037 4 0 "[ . 1 . 2]" 1
62 1 15 ILE MG 1 17 TRP HD1 5.120 . 5.120 3.398 2.540 4.871 . 0 0 "[ . 1 . 2]" 1
63 1 15 ILE MG 1 17 TRP HE1 5.320 . 5.320 2.675 2.155 4.210 . 0 0 "[ . 1 . 2]" 1
64 1 15 ILE MG 1 48 LYS HE2 5.310 . 5.310 4.001 2.146 5.478 0.168 15 0 "[ . 1 . 2]" 1
65 1 15 ILE MG 1 48 LYS QE 4.560 . 4.560 3.238 2.109 4.232 . 0 0 "[ . 1 . 2]" 1
66 1 15 ILE MG 1 48 LYS HE3 5.310 . 5.310 3.538 2.663 4.463 . 0 0 "[ . 1 . 2]" 1
67 1 16 LEU H 1 16 LEU HB2 4.390 . 4.390 2.564 2.338 3.182 . 0 0 "[ . 1 . 2]" 1
68 1 16 LEU H 1 16 LEU QB 3.850 . 3.850 2.328 2.191 2.985 . 0 0 "[ . 1 . 2]" 1
69 1 16 LEU H 1 16 LEU HB3 4.390 . 4.390 2.851 2.439 3.634 . 0 0 "[ . 1 . 2]" 1
70 1 16 LEU H 1 16 LEU MD2 5.180 . 5.180 4.246 3.381 5.058 . 0 0 "[ . 1 . 2]" 1
71 1 16 LEU H 1 16 LEU HG 5.170 . 5.170 4.290 2.394 4.961 . 0 0 "[ . 1 . 2]" 1
72 1 16 LEU H 1 17 TRP H 4.760 . 4.760 4.126 3.086 4.564 . 0 0 "[ . 1 . 2]" 1
73 1 16 LEU HA 1 16 LEU MD2 4.180 . 4.180 3.602 2.073 3.994 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU HA 1 17 TRP H 3.460 . 3.460 2.260 2.129 2.459 . 0 0 "[ . 1 . 2]" 1
75 1 16 LEU HA 1 17 TRP HD1 5.690 . 5.690 4.942 4.552 5.462 . 0 0 "[ . 1 . 2]" 1
76 1 16 LEU QB 1 17 TRP H 4.380 . 4.380 3.950 3.688 4.087 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU QB 1 17 TRP HA 6.010 . 6.010 4.703 4.266 4.974 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU MD1 1 17 TRP H 5.500 . 5.500 3.736 2.578 5.617 0.117 18 0 "[ . 1 . 2]" 1
79 1 16 LEU MD2 1 17 TRP H 6.110 . 6.110 4.846 2.049 5.701 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU MD2 1 18 THR MG 5.550 . 5.550 3.925 2.453 5.135 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU HG 1 17 TRP H 6.040 . 6.040 4.341 3.507 5.723 . 0 0 "[ . 1 . 2]" 1
82 1 17 TRP H 1 17 TRP HB2 4.180 . 4.180 2.532 2.331 2.835 . 0 0 "[ . 1 . 2]" 1
83 1 17 TRP H 1 17 TRP HD1 4.140 . 4.140 3.505 2.860 4.123 . 0 0 "[ . 1 . 2]" 1
84 1 17 TRP H 1 18 THR H 5.390 . 5.390 4.397 4.191 4.600 . 0 0 "[ . 1 . 2]" 1
85 1 17 TRP H 1 18 THR HA 6.150 . 6.150 5.108 4.825 5.597 . 0 0 "[ . 1 . 2]" 1
86 1 17 TRP H 1 18 THR MG 5.960 . 5.960 4.500 3.705 5.272 . 0 0 "[ . 1 . 2]" 1
87 1 17 TRP HA 1 17 TRP HZ3 4.780 . 4.780 4.782 4.528 5.050 0.270 17 0 "[ . 1 . 2]" 1
88 1 17 TRP HA 1 18 THR MG 5.060 . 5.060 3.743 3.561 3.994 . 0 0 "[ . 1 . 2]" 1
89 1 17 TRP HA 1 21 ASP HB2 5.900 . 5.900 3.664 3.063 5.781 . 0 0 "[ . 1 . 2]" 1
90 1 17 TRP HA 1 21 ASP HB3 5.640 . 5.640 4.341 3.709 5.739 0.099 13 0 "[ . 1 . 2]" 1
91 1 17 TRP HA 1 48 LYS QE 6.040 . 6.040 3.720 2.524 6.052 0.012 11 0 "[ . 1 . 2]" 1
92 1 17 TRP HB2 1 17 TRP HD1 4.030 . 4.030 2.629 2.580 2.712 . 0 0 "[ . 1 . 2]" 1
93 1 17 TRP HB2 1 18 THR H 6.050 . 6.050 4.281 3.607 4.515 . 0 0 "[ . 1 . 2]" 1
94 1 17 TRP HB3 1 17 TRP HZ3 5.410 . 5.410 5.055 4.805 5.198 . 0 0 "[ . 1 . 2]" 1
95 1 17 TRP HB3 1 18 THR H 4.220 . 4.220 3.312 2.368 3.744 . 0 0 "[ . 1 . 2]" 1
96 1 17 TRP HD1 1 56 ARG QD 4.590 . 4.590 3.657 2.783 4.677 0.087 20 0 "[ . 1 . 2]" 1
97 1 17 TRP HE1 1 56 ARG HB2 5.590 . 5.590 4.160 2.716 5.725 0.135 13 0 "[ . 1 . 2]" 1
98 1 17 TRP HE1 1 56 ARG QD 4.980 . 4.980 3.912 2.851 4.989 0.009 20 0 "[ . 1 . 2]" 1
99 1 17 TRP HE3 1 25 ILE MD 4.800 . 4.800 3.728 3.424 4.894 0.094 13 0 "[ . 1 . 2]" 1
100 1 17 TRP HE3 1 46 LEU MD1 4.590 . 4.590 3.835 3.597 4.154 . 0 0 "[ . 1 . 2]" 1
101 1 17 TRP HE3 1 48 LYS QG 4.820 . 4.820 4.297 3.834 4.830 0.010 1 0 "[ . 1 . 2]" 1
102 1 17 TRP HH2 1 25 ILE MD 5.700 . 5.700 2.967 2.476 4.332 . 0 0 "[ . 1 . 2]" 1
103 1 17 TRP HH2 1 46 LEU HB2 5.430 . 5.430 4.086 2.590 4.929 . 0 0 "[ . 1 . 2]" 1
104 1 17 TRP HH2 1 46 LEU MD1 6.280 . 6.280 3.214 2.711 3.785 . 0 0 "[ . 1 . 2]" 1
105 1 17 TRP HH2 1 48 LYS HB2 5.720 . 5.720 3.127 2.459 3.875 . 0 0 "[ . 1 . 2]" 1
106 1 17 TRP HH2 1 48 LYS HB3 5.430 . 5.430 3.446 3.116 4.164 . 0 0 "[ . 1 . 2]" 1
107 1 17 TRP HH2 1 48 LYS QG 4.640 . 4.640 2.607 2.264 3.103 . 0 0 "[ . 1 . 2]" 1
108 1 17 TRP HH2 1 52 GLN HB2 5.510 . 5.510 4.182 3.687 5.125 . 0 0 "[ . 1 . 2]" 1
109 1 17 TRP HH2 1 52 GLN QB 4.790 . 4.790 3.727 3.258 4.319 . 0 0 "[ . 1 . 2]" 1
110 1 17 TRP HH2 1 52 GLN HB3 5.510 . 5.510 4.261 3.388 5.030 . 0 0 "[ . 1 . 2]" 1
111 1 17 TRP HH2 1 53 VAL H 5.420 . 5.420 4.111 3.597 4.800 . 0 0 "[ . 1 . 2]" 1
112 1 17 TRP HH2 1 53 VAL HA 4.640 . 4.640 2.782 2.299 4.128 . 0 0 "[ . 1 . 2]" 1
113 1 17 TRP HH2 1 53 VAL MG2 4.370 . 4.370 2.159 1.722 2.753 . 0 0 "[ . 1 . 2]" 1
114 1 17 TRP HZ2 1 25 ILE MD 6.040 . 6.040 4.295 3.534 5.197 . 0 0 "[ . 1 . 2]" 1
115 1 17 TRP HZ2 1 46 LEU MD1 5.710 . 5.710 5.178 4.032 5.785 0.075 14 0 "[ . 1 . 2]" 1
116 1 17 TRP HZ2 1 52 GLN H 5.150 . 5.150 4.973 4.573 5.239 0.089 6 0 "[ . 1 . 2]" 1
117 1 17 TRP HZ2 1 52 GLN QB 3.730 . 3.730 2.073 1.477 2.930 . 0 0 "[ . 1 . 2]" 1
118 1 17 TRP HZ2 1 52 GLN QG 5.180 . 5.180 4.098 3.416 4.872 . 0 0 "[ . 1 . 2]" 1
119 1 17 TRP HZ2 1 53 VAL HA 5.110 . 5.110 3.263 2.386 4.035 . 0 0 "[ . 1 . 2]" 1
120 1 17 TRP HZ2 1 53 VAL MG2 4.710 . 4.710 3.499 2.519 4.305 . 0 0 "[ . 1 . 2]" 1
121 1 17 TRP HZ2 1 56 ARG HB2 5.580 . 5.580 3.796 2.813 5.098 . 0 0 "[ . 1 . 2]" 1
122 1 17 TRP HZ2 1 56 ARG HB3 6.090 . 6.090 4.698 3.824 6.107 0.017 13 0 "[ . 1 . 2]" 1
123 1 17 TRP HZ3 1 18 THR H 5.350 . 5.350 5.379 5.062 5.528 0.178 15 0 "[ . 1 . 2]" 1
124 1 17 TRP HZ3 1 21 ASP HB2 4.940 . 4.940 3.672 2.732 4.943 0.003 14 0 "[ . 1 . 2]" 1
125 1 17 TRP HZ3 1 21 ASP HB3 4.460 . 4.460 2.403 1.958 3.534 . 0 0 "[ . 1 . 2]" 1
126 1 17 TRP HZ3 1 25 ILE MD 5.660 . 5.660 2.531 2.053 4.669 . 0 0 "[ . 1 . 2]" 1
127 1 18 THR H 1 18 THR MG 4.170 . 4.170 2.654 2.393 3.245 . 0 0 "[ . 1 . 2]" 1
128 1 18 THR H 1 21 ASP H 5.230 . 5.230 3.506 3.228 3.911 . 0 0 "[ . 1 . 2]" 1
129 1 18 THR H 1 21 ASP HB2 5.100 . 5.100 2.681 2.273 4.492 . 0 0 "[ . 1 . 2]" 1
130 1 18 THR H 1 21 ASP HB3 4.940 . 4.940 3.972 2.741 4.756 . 0 0 "[ . 1 . 2]" 1
131 1 18 THR H 1 22 ASP H 5.550 . 5.550 4.218 3.682 5.424 . 0 0 "[ . 1 . 2]" 1
132 1 18 THR H 1 46 LEU MD1 5.720 . 5.720 5.712 5.424 5.884 0.164 14 0 "[ . 1 . 2]" 1
133 1 18 THR HA 1 20 ASN H 5.510 . 5.510 4.193 4.010 4.533 . 0 0 "[ . 1 . 2]" 1
134 1 18 THR HB 1 19 ARG H 3.750 . 3.750 2.441 2.082 2.753 . 0 0 "[ . 1 . 2]" 1
135 1 18 THR HB 1 19 ARG QD 5.820 . 5.820 5.159 4.324 5.971 0.151 16 0 "[ . 1 . 2]" 1
136 1 18 THR HB 1 20 ASN QB 5.870 . 5.870 3.950 3.424 4.905 . 0 0 "[ . 1 . 2]" 1
137 1 18 THR HG1 1 20 ASN H 4.750 . 4.750 3.555 3.111 4.228 . 0 0 "[ . 1 . 2]" 1
138 1 18 THR HG1 1 21 ASP H 4.880 . 4.880 2.766 2.428 3.234 . 0 0 "[ . 1 . 2]" 1
139 1 18 THR MG 1 19 ARG H 5.510 . 5.510 3.827 3.551 4.002 . 0 0 "[ . 1 . 2]" 1
140 1 18 THR MG 1 20 ASN H 5.450 . 5.450 4.262 3.952 4.647 . 0 0 "[ . 1 . 2]" 1
141 1 18 THR MG 1 20 ASN QB 6.070 . 6.070 4.270 3.774 5.635 . 0 0 "[ . 1 . 2]" 1
142 1 18 THR MG 1 21 ASP H 5.340 . 5.340 4.385 4.001 5.112 . 0 0 "[ . 1 . 2]" 1
143 1 19 ARG H 1 19 ARG QB 3.760 . 3.760 2.474 2.106 2.587 . 0 0 "[ . 1 . 2]" 1
144 1 19 ARG H 1 19 ARG QG 4.340 . 4.340 2.272 1.947 4.055 . 0 0 "[ . 1 . 2]" 1
145 1 19 ARG H 1 20 ASN H 4.950 . 4.950 2.756 2.516 2.905 . 0 0 "[ . 1 . 2]" 1
146 1 19 ARG HA 1 19 ARG QD 5.040 . 5.040 4.404 2.842 4.651 . 0 0 "[ . 1 . 2]" 1
147 1 19 ARG HA 1 21 ASP H 5.550 . 5.550 4.479 4.141 4.751 . 0 0 "[ . 1 . 2]" 1
148 1 19 ARG HA 1 22 ASP H 5.150 . 5.150 3.738 3.152 4.077 . 0 0 "[ . 1 . 2]" 1
149 1 19 ARG HA 1 22 ASP QB 4.330 . 4.330 3.509 2.059 4.535 0.205 19 0 "[ . 1 . 2]" 1
150 1 19 ARG HA 1 23 ARG H 5.020 . 5.020 4.128 3.691 5.141 0.121 13 0 "[ . 1 . 2]" 1
151 1 19 ARG QB 1 20 ASN HA 4.850 . 4.850 4.568 4.144 4.777 . 0 0 "[ . 1 . 2]" 1
152 1 19 ARG QB 1 20 ASN QD 5.460 . 5.460 5.160 4.397 5.670 0.210 17 0 "[ . 1 . 2]" 1
153 1 19 ARG QG 1 20 ASN H 4.700 . 4.700 2.684 2.356 4.447 . 0 0 "[ . 1 . 2]" 1
154 1 19 ARG QG 1 20 ASN HA 5.250 . 5.250 3.717 3.383 4.772 . 0 0 "[ . 1 . 2]" 1
155 1 19 ARG QG 1 20 ASN QB 6.050 . 6.050 4.078 2.976 5.357 . 0 0 "[ . 1 . 2]" 1
156 1 20 ASN H 1 20 ASN QB 3.820 . 3.820 2.484 2.253 2.732 . 0 0 "[ . 1 . 2]" 1
157 1 20 ASN H 1 20 ASN QD 4.560 . 4.560 3.352 2.110 4.436 . 0 0 "[ . 1 . 2]" 1
158 1 20 ASN H 1 21 ASP H 4.560 . 4.560 2.595 2.475 2.683 . 0 0 "[ . 1 . 2]" 1
159 1 20 ASN H 1 22 ASP H 5.750 . 5.750 4.287 3.851 4.499 . 0 0 "[ . 1 . 2]" 1
160 1 20 ASN HA 1 23 ARG H 5.190 . 5.190 3.844 3.422 4.202 . 0 0 "[ . 1 . 2]" 1
161 1 20 ASN HA 1 23 ARG HB2 5.020 . 5.020 3.788 3.302 4.816 . 0 0 "[ . 1 . 2]" 1
162 1 20 ASN HA 1 23 ARG QB 4.270 . 4.270 2.887 2.504 3.208 . 0 0 "[ . 1 . 2]" 1
163 1 20 ASN HA 1 23 ARG HB3 5.020 . 5.020 3.015 2.550 3.444 . 0 0 "[ . 1 . 2]" 1
164 1 20 ASN HA 1 24 VAL H 5.930 . 5.930 4.499 4.111 4.850 . 0 0 "[ . 1 . 2]" 1
165 1 20 ASN QB 1 21 ASP H 4.250 . 4.250 2.562 2.334 3.497 . 0 0 "[ . 1 . 2]" 1
166 1 20 ASN QB 1 23 ARG QB 5.650 . 5.650 4.452 4.055 4.888 . 0 0 "[ . 1 . 2]" 1
167 1 21 ASP H 1 21 ASP HB3 4.270 . 4.270 3.596 2.975 3.656 . 0 0 "[ . 1 . 2]" 1
168 1 21 ASP H 1 23 ARG QB 5.280 . 5.280 4.871 4.614 5.258 . 0 0 "[ . 1 . 2]" 1
169 1 21 ASP HA 1 23 ARG H 6.070 . 6.070 4.539 4.360 4.737 . 0 0 "[ . 1 . 2]" 1
170 1 21 ASP HA 1 24 VAL H 5.260 . 5.260 3.682 3.280 4.072 . 0 0 "[ . 1 . 2]" 1
171 1 21 ASP HA 1 24 VAL HB 4.570 . 4.570 3.133 2.506 3.902 . 0 0 "[ . 1 . 2]" 1
172 1 21 ASP HA 1 24 VAL MG2 5.090 . 5.090 3.258 2.697 3.858 . 0 0 "[ . 1 . 2]" 1
173 1 21 ASP HA 1 46 LEU MD1 4.130 . 4.130 2.872 2.443 3.886 . 0 0 "[ . 1 . 2]" 1
174 1 21 ASP HA 1 46 LEU MD2 4.300 . 4.300 2.154 1.836 2.711 . 0 0 "[ . 1 . 2]" 1
175 1 21 ASP HB2 1 22 ASP H 4.710 . 4.710 2.469 2.224 3.311 . 0 0 "[ . 1 . 2]" 1
176 1 21 ASP HB2 1 25 ILE MD 5.760 . 5.760 4.375 2.898 5.819 0.059 14 0 "[ . 1 . 2]" 1
177 1 21 ASP HB2 1 46 LEU MD1 5.510 . 5.510 3.729 3.108 4.371 . 0 0 "[ . 1 . 2]" 1
178 1 21 ASP HB2 1 46 LEU MD2 4.450 . 4.450 4.164 3.533 4.475 0.025 8 0 "[ . 1 . 2]" 1
179 1 21 ASP HB3 1 22 ASP H 4.040 . 4.040 3.417 2.320 4.086 0.046 13 0 "[ . 1 . 2]" 1
180 1 21 ASP HB3 1 22 ASP QB 6.000 . 6.000 5.037 3.933 6.162 0.162 13 0 "[ . 1 . 2]" 1
181 1 21 ASP HB3 1 24 VAL H 5.950 . 5.950 5.471 5.170 5.726 . 0 0 "[ . 1 . 2]" 1
182 1 22 ASP H 1 22 ASP QB 3.700 . 3.700 2.520 2.156 2.708 . 0 0 "[ . 1 . 2]" 1
183 1 22 ASP H 1 23 ARG QB 5.390 . 5.390 4.499 4.253 4.702 . 0 0 "[ . 1 . 2]" 1
184 1 22 ASP H 1 24 VAL HB 6.180 . 6.180 5.462 5.124 6.054 . 0 0 "[ . 1 . 2]" 1
185 1 22 ASP H 1 25 ILE H 5.530 . 5.530 4.870 4.674 5.015 . 0 0 "[ . 1 . 2]" 1
186 1 22 ASP H 1 25 ILE MD 6.010 . 6.010 4.264 4.083 4.642 . 0 0 "[ . 1 . 2]" 1
187 1 22 ASP HA 1 25 ILE HB 4.710 . 4.710 2.846 2.411 3.375 . 0 0 "[ . 1 . 2]" 1
188 1 22 ASP HA 1 25 ILE MD 4.550 . 4.550 2.372 1.984 3.546 . 0 0 "[ . 1 . 2]" 1
189 1 22 ASP HA 1 25 ILE QG 5.940 . 5.940 3.164 2.256 4.448 . 0 0 "[ . 1 . 2]" 1
190 1 22 ASP HA 1 25 ILE MG 5.660 . 5.660 4.135 3.748 4.607 . 0 0 "[ . 1 . 2]" 1
191 1 22 ASP HA 1 26 LEU H 5.780 . 5.780 4.272 4.025 4.643 . 0 0 "[ . 1 . 2]" 1
192 1 22 ASP HA 1 60 LEU MD1 4.430 . 4.430 2.549 1.720 3.142 . 0 0 "[ . 1 . 2]" 1
193 1 22 ASP HA 1 60 LEU MD2 5.640 . 5.640 3.795 2.642 5.561 . 0 0 "[ . 1 . 2]" 1
194 1 22 ASP QB 1 23 ARG H 4.170 . 4.170 3.026 2.221 3.575 . 0 0 "[ . 1 . 2]" 1
195 1 22 ASP QB 1 60 LEU MD1 4.630 . 4.630 2.426 1.752 3.692 . 0 0 "[ . 1 . 2]" 1
196 1 22 ASP QB 1 60 LEU MD2 4.460 . 4.460 2.082 1.648 4.085 . 0 0 "[ . 1 . 2]" 1
197 1 22 ASP HB2 1 23 ARG H 4.800 . 4.800 3.280 2.252 4.095 . 0 0 "[ . 1 . 2]" 1
198 1 22 ASP HB2 1 60 LEU MD1 5.500 . 5.500 3.049 1.765 4.487 . 0 0 "[ . 1 . 2]" 1
199 1 22 ASP HB3 1 23 ARG H 4.800 . 4.800 3.790 2.330 4.237 . 0 0 "[ . 1 . 2]" 1
200 1 22 ASP HB3 1 60 LEU MD1 5.500 . 5.500 3.045 2.259 4.347 . 0 0 "[ . 1 . 2]" 1
201 1 23 ARG H 1 23 ARG QB 3.460 . 3.460 2.242 2.091 2.330 . 0 0 "[ . 1 . 2]" 1
202 1 23 ARG H 1 23 ARG QG 5.080 . 5.080 4.032 3.978 4.099 . 0 0 "[ . 1 . 2]" 1
203 1 23 ARG H 1 24 VAL H 3.990 . 3.990 2.768 2.642 2.862 . 0 0 "[ . 1 . 2]" 1
204 1 23 ARG H 1 60 LEU MD2 6.160 . 6.160 4.884 4.374 6.166 0.006 18 0 "[ . 1 . 2]" 1
205 1 23 ARG HA 1 26 LEU H 5.600 . 5.600 3.760 3.450 4.229 . 0 0 "[ . 1 . 2]" 1
206 1 23 ARG HA 1 26 LEU HB2 5.830 . 5.830 3.043 2.610 3.463 . 0 0 "[ . 1 . 2]" 1
207 1 23 ARG HA 1 26 LEU QB 4.910 . 4.910 3.006 2.585 3.409 . 0 0 "[ . 1 . 2]" 1
208 1 23 ARG HA 1 26 LEU HB3 5.830 . 5.830 4.674 4.191 5.099 . 0 0 "[ . 1 . 2]" 1
209 1 23 ARG HA 1 26 LEU MD1 4.970 . 4.970 2.963 2.237 3.467 . 0 0 "[ . 1 . 2]" 1
210 1 23 ARG HA 1 26 LEU HG 4.530 . 4.530 3.955 3.357 4.614 0.084 13 0 "[ . 1 . 2]" 1
211 1 23 ARG HA 1 60 LEU MD1 5.910 . 5.910 4.677 4.137 5.240 . 0 0 "[ . 1 . 2]" 1
212 1 23 ARG HA 1 60 LEU MD2 5.290 . 5.290 4.736 3.987 5.378 0.088 18 0 "[ . 1 . 2]" 1
213 1 23 ARG QB 1 24 VAL H 4.220 . 4.220 2.637 2.345 3.369 . 0 0 "[ . 1 . 2]" 1
214 1 23 ARG QB 1 24 VAL MG2 4.970 . 4.970 3.188 2.672 4.240 . 0 0 "[ . 1 . 2]" 1
215 1 23 ARG HB2 1 24 VAL MG2 5.800 . 5.800 4.734 4.114 5.407 . 0 0 "[ . 1 . 2]" 1
216 1 23 ARG HB3 1 24 VAL MG2 5.800 . 5.800 3.244 2.707 4.431 . 0 0 "[ . 1 . 2]" 1
217 1 23 ARG QG 1 24 VAL H 5.830 . 5.830 3.645 3.296 3.980 . 0 0 "[ . 1 . 2]" 1
218 1 23 ARG QG 1 24 VAL MG2 3.820 . 3.820 3.723 3.133 3.954 0.134 16 0 "[ . 1 . 2]" 1
219 1 23 ARG QG 1 26 LEU H 6.100 . 6.100 5.294 4.791 5.819 . 0 0 "[ . 1 . 2]" 1
220 1 24 VAL H 1 24 VAL HB 3.800 . 3.800 2.546 2.412 2.671 . 0 0 "[ . 1 . 2]" 1
221 1 24 VAL H 1 24 VAL MG1 4.660 . 4.660 3.830 3.789 3.858 . 0 0 "[ . 1 . 2]" 1
222 1 24 VAL H 1 24 VAL MG2 3.900 . 3.900 2.182 1.994 2.396 . 0 0 "[ . 1 . 2]" 1
223 1 24 VAL H 1 25 ILE H 4.250 . 4.250 2.681 2.547 2.809 . 0 0 "[ . 1 . 2]" 1
224 1 24 VAL H 1 27 LEU QB 5.410 . 5.410 4.536 4.244 4.787 . 0 0 "[ . 1 . 2]" 1
225 1 24 VAL HA 1 27 LEU H 4.200 . 4.200 3.359 3.090 3.788 . 0 0 "[ . 1 . 2]" 1
226 1 24 VAL HA 1 27 LEU HB2 4.800 . 4.800 3.125 2.607 3.780 . 0 0 "[ . 1 . 2]" 1
227 1 24 VAL HA 1 27 LEU QB 4.110 . 4.110 2.364 2.014 2.760 . 0 0 "[ . 1 . 2]" 1
228 1 24 VAL HA 1 27 LEU HB3 4.800 . 4.800 2.452 2.096 2.859 . 0 0 "[ . 1 . 2]" 1
229 1 24 VAL HA 1 27 LEU HG 5.650 . 5.650 4.695 4.346 5.051 . 0 0 "[ . 1 . 2]" 1
230 1 24 VAL HA 1 28 GLU H 4.950 . 4.950 3.885 3.633 4.227 . 0 0 "[ . 1 . 2]" 1
231 1 24 VAL HB 1 25 ILE H 4.420 . 4.420 2.812 2.638 2.956 . 0 0 "[ . 1 . 2]" 1
232 1 24 VAL HB 1 27 LEU MD2 5.780 . 5.780 5.398 4.787 5.964 0.184 10 0 "[ . 1 . 2]" 1
233 1 24 VAL HB 1 46 LEU MD1 5.520 . 5.520 2.831 2.480 3.679 . 0 0 "[ . 1 . 2]" 1
234 1 24 VAL MG1 1 25 ILE H 4.580 . 4.580 3.576 3.313 3.804 . 0 0 "[ . 1 . 2]" 1
235 1 24 VAL MG1 1 25 ILE QG 5.610 . 5.610 4.005 3.388 4.363 . 0 0 "[ . 1 . 2]" 1
236 1 24 VAL MG1 1 26 LEU H 6.080 . 6.080 5.345 5.156 5.514 . 0 0 "[ . 1 . 2]" 1
237 1 24 VAL MG1 1 28 GLU H 5.440 . 5.440 3.866 3.686 4.170 . 0 0 "[ . 1 . 2]" 1
238 1 24 VAL MG1 1 28 GLU QB 5.000 . 5.000 3.735 3.334 4.027 . 0 0 "[ . 1 . 2]" 1
239 1 24 VAL MG1 1 28 GLU HG2 5.040 . 5.040 2.776 2.348 4.050 . 0 0 "[ . 1 . 2]" 1
240 1 24 VAL MG1 1 28 GLU HG3 5.040 . 5.040 2.962 2.389 3.346 . 0 0 "[ . 1 . 2]" 1
241 1 24 VAL MG1 1 42 LEU HA 4.980 . 4.980 4.089 3.709 4.445 . 0 0 "[ . 1 . 2]" 1
242 1 24 VAL MG1 1 45 LYS HB2 5.270 . 5.270 4.458 3.959 4.952 . 0 0 "[ . 1 . 2]" 1
243 1 24 VAL MG1 1 45 LYS QD 4.750 . 4.750 3.171 1.842 4.137 . 0 0 "[ . 1 . 2]" 1
244 1 24 VAL MG1 1 45 LYS QG 4.760 . 4.760 2.550 1.923 3.517 . 0 0 "[ . 1 . 2]" 1
245 1 24 VAL MG2 1 25 ILE H 5.340 . 5.340 3.975 3.792 4.077 . 0 0 "[ . 1 . 2]" 1
246 1 24 VAL MG2 1 25 ILE HA 5.680 . 5.680 5.596 5.501 5.681 0.001 4 0 "[ . 1 . 2]" 1
247 1 24 VAL MG2 1 45 LYS QD 5.300 . 5.300 4.487 2.811 5.439 0.139 16 0 "[ . 1 . 2]" 1
248 1 25 ILE H 1 25 ILE HB 4.030 . 4.030 2.546 2.428 2.635 . 0 0 "[ . 1 . 2]" 1
249 1 25 ILE H 1 25 ILE MD 4.920 . 4.920 3.653 3.518 3.740 . 0 0 "[ . 1 . 2]" 1
250 1 25 ILE H 1 25 ILE HG12 4.590 . 4.590 3.525 3.374 3.665 . 0 0 "[ . 1 . 2]" 1
251 1 25 ILE H 1 25 ILE QG 3.730 . 3.730 2.232 2.126 2.346 . 0 0 "[ . 1 . 2]" 1
252 1 25 ILE H 1 25 ILE HG13 4.590 . 4.590 2.257 2.148 2.374 . 0 0 "[ . 1 . 2]" 1
253 1 25 ILE H 1 26 LEU H 3.870 . 3.870 2.862 2.754 2.951 . 0 0 "[ . 1 . 2]" 1
254 1 25 ILE H 1 26 LEU HG 6.140 . 6.140 4.773 4.518 4.977 . 0 0 "[ . 1 . 2]" 1
255 1 25 ILE H 1 42 LEU MD2 4.730 . 4.730 3.562 3.317 3.911 . 0 0 "[ . 1 . 2]" 1
256 1 25 ILE H 1 46 LEU MD1 5.690 . 5.690 3.305 2.987 4.092 . 0 0 "[ . 1 . 2]" 1
257 1 25 ILE H 1 46 LEU MD2 5.900 . 5.900 4.315 4.006 4.660 . 0 0 "[ . 1 . 2]" 1
258 1 25 ILE H 1 60 LEU MD1 5.350 . 5.350 4.393 4.105 4.968 . 0 0 "[ . 1 . 2]" 1
259 1 25 ILE HA 1 28 GLU QG 5.880 . 5.880 4.223 3.797 5.029 . 0 0 "[ . 1 . 2]" 1
260 1 25 ILE HA 1 29 CYS H 6.050 . 6.050 4.202 3.913 4.381 . 0 0 "[ . 1 . 2]" 1
261 1 25 ILE HB 1 26 LEU H 3.960 . 3.960 2.459 2.289 2.694 . 0 0 "[ . 1 . 2]" 1
262 1 25 ILE HB 1 26 LEU MD2 4.900 . 4.900 4.136 3.656 4.356 . 0 0 "[ . 1 . 2]" 1
263 1 25 ILE HB 1 42 LEU MD1 5.020 . 5.020 4.114 3.986 4.311 . 0 0 "[ . 1 . 2]" 1
264 1 25 ILE HB 1 60 LEU MD1 5.840 . 5.840 2.644 2.288 3.361 . 0 0 "[ . 1 . 2]" 1
265 1 25 ILE MD 1 25 ILE MG 3.750 . 3.750 2.015 1.977 2.073 . 0 0 "[ . 1 . 2]" 1
266 1 25 ILE MD 1 26 LEU H 5.590 . 5.590 4.527 4.372 4.748 . 0 0 "[ . 1 . 2]" 1
267 1 25 ILE MD 1 46 LEU MD1 4.260 . 4.260 2.640 2.182 3.098 . 0 0 "[ . 1 . 2]" 1
268 1 25 ILE MD 1 46 LEU MD2 5.190 . 5.190 4.629 3.851 5.095 . 0 0 "[ . 1 . 2]" 1
269 1 25 ILE MD 1 53 VAL HA 5.200 . 5.200 2.756 2.459 3.209 . 0 0 "[ . 1 . 2]" 1
270 1 25 ILE MD 1 53 VAL MG1 4.280 . 4.280 2.408 2.107 2.834 . 0 0 "[ . 1 . 2]" 1
271 1 25 ILE MD 1 53 VAL MG2 5.020 . 5.020 3.220 2.821 3.459 . 0 0 "[ . 1 . 2]" 1
272 1 25 ILE MD 1 56 ARG HB3 5.250 . 5.250 2.596 2.066 3.700 . 0 0 "[ . 1 . 2]" 1
273 1 25 ILE MD 1 56 ARG QG 4.620 . 4.620 2.826 2.035 4.155 . 0 0 "[ . 1 . 2]" 1
274 1 25 ILE MD 1 57 PHE H 6.040 . 6.040 3.465 3.203 3.738 . 0 0 "[ . 1 . 2]" 1
275 1 25 ILE MD 1 57 PHE HA 6.210 . 6.210 3.825 3.544 4.439 . 0 0 "[ . 1 . 2]" 1
276 1 25 ILE QG 1 26 LEU H 5.400 . 5.400 4.090 3.987 4.250 . 0 0 "[ . 1 . 2]" 1
277 1 25 ILE QG 1 42 LEU HA 5.120 . 5.120 4.957 4.790 5.105 . 0 0 "[ . 1 . 2]" 1
278 1 25 ILE QG 1 42 LEU HB3 5.700 . 5.700 2.927 2.662 3.189 . 0 0 "[ . 1 . 2]" 1
279 1 25 ILE QG 1 42 LEU MD2 3.970 . 3.970 2.789 2.467 3.261 . 0 0 "[ . 1 . 2]" 1
280 1 25 ILE QG 1 46 LEU MD1 4.080 . 4.080 2.123 1.979 2.370 . 0 0 "[ . 1 . 2]" 1
281 1 25 ILE QG 1 46 LEU MD2 4.970 . 4.970 3.922 3.261 4.268 . 0 0 "[ . 1 . 2]" 1
282 1 25 ILE QG 1 53 VAL MG1 4.400 . 4.400 2.186 1.943 2.632 . 0 0 "[ . 1 . 2]" 1
283 1 25 ILE QG 1 53 VAL MG2 5.430 . 5.430 3.616 3.137 3.933 . 0 0 "[ . 1 . 2]" 1
284 1 25 ILE HG12 1 42 LEU HA 5.950 . 5.950 5.279 5.045 5.490 . 0 0 "[ . 1 . 2]" 1
285 1 25 ILE HG12 1 42 LEU MD1 4.790 . 4.790 2.427 2.112 2.820 . 0 0 "[ . 1 . 2]" 1
286 1 25 ILE HG12 1 46 LEU MD1 4.860 . 4.860 2.674 2.281 2.913 . 0 0 "[ . 1 . 2]" 1
287 1 25 ILE HG13 1 42 LEU HA 5.950 . 5.950 6.016 5.921 6.095 0.145 11 0 "[ . 1 . 2]" 1
288 1 25 ILE HG13 1 42 LEU MD1 4.790 . 4.790 3.731 3.460 3.968 . 0 0 "[ . 1 . 2]" 1
289 1 25 ILE HG13 1 46 LEU MD1 4.860 . 4.860 2.233 2.033 2.517 . 0 0 "[ . 1 . 2]" 1
290 1 25 ILE MG 1 26 LEU H 4.400 . 4.400 3.166 2.938 3.388 . 0 0 "[ . 1 . 2]" 1
291 1 25 ILE MG 1 26 LEU HA 4.580 . 4.580 3.360 3.028 3.618 . 0 0 "[ . 1 . 2]" 1
292 1 25 ILE MG 1 26 LEU HG 5.160 . 5.160 3.703 3.369 4.186 . 0 0 "[ . 1 . 2]" 1
293 1 25 ILE MG 1 29 CYS H 4.990 . 4.990 4.401 4.218 4.657 . 0 0 "[ . 1 . 2]" 1
294 1 25 ILE MG 1 39 PHE QD 5.520 . 5.520 3.695 3.041 4.544 . 0 0 "[ . 1 . 2]" 1
295 1 25 ILE MG 1 42 LEU HB3 4.740 . 4.740 4.311 4.008 4.570 . 0 0 "[ . 1 . 2]" 1
296 1 25 ILE MG 1 53 VAL MG1 3.860 . 3.860 2.647 2.370 3.008 . 0 0 "[ . 1 . 2]" 1
297 1 25 ILE MG 1 53 VAL MG2 4.750 . 4.750 4.596 4.287 4.794 0.044 11 0 "[ . 1 . 2]" 1
298 1 25 ILE MG 1 57 PHE H 5.030 . 5.030 3.368 3.069 3.734 . 0 0 "[ . 1 . 2]" 1
299 1 25 ILE MG 1 57 PHE HA 4.640 . 4.640 2.565 2.345 3.021 . 0 0 "[ . 1 . 2]" 1
300 1 25 ILE MG 1 57 PHE HB2 4.540 . 4.540 2.347 2.102 2.815 . 0 0 "[ . 1 . 2]" 1
301 1 25 ILE MG 1 57 PHE HB3 5.370 . 5.370 3.694 3.443 4.137 . 0 0 "[ . 1 . 2]" 1
302 1 25 ILE MG 1 57 PHE HD1 4.160 . 4.160 2.767 2.205 3.623 . 0 0 "[ . 1 . 2]" 1
303 1 25 ILE MG 1 57 PHE HE1 5.750 . 5.750 4.459 3.805 5.374 . 0 0 "[ . 1 . 2]" 1
304 1 25 ILE MG 1 60 LEU MD1 3.390 . 3.390 2.577 2.196 3.256 . 0 0 "[ . 1 . 2]" 1
305 1 25 ILE MG 1 60 LEU HG 5.840 . 5.840 4.827 4.332 5.708 . 0 0 "[ . 1 . 2]" 1
306 1 26 LEU H 1 26 LEU MD1 5.820 . 5.820 3.650 3.491 3.782 . 0 0 "[ . 1 . 2]" 1
307 1 26 LEU H 1 26 LEU MD2 5.640 . 5.640 3.372 3.137 3.512 . 0 0 "[ . 1 . 2]" 1
308 1 26 LEU H 1 26 LEU HG 3.560 . 3.560 2.342 2.156 2.486 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU H 1 27 LEU QB 5.290 . 5.290 4.445 4.251 4.553 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU H 1 60 LEU MD1 5.390 . 5.390 3.312 3.017 3.702 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU HA 1 26 LEU MD2 4.020 . 4.020 2.039 1.982 2.102 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU HA 1 29 CYS H 5.280 . 5.280 3.748 3.286 4.178 . 0 0 "[ . 1 . 2]" 1
313 1 26 LEU HA 1 29 CYS QB 4.830 . 4.830 2.613 2.010 3.128 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU HA 1 57 PHE HD1 5.180 . 5.180 4.141 3.456 5.311 0.131 19 0 "[ . 1 . 2]" 1
315 1 26 LEU HA 1 57 PHE HE1 5.340 . 5.340 4.384 3.348 5.366 0.026 2 0 "[ . 1 . 2]" 1
316 1 26 LEU QB 1 29 CYS QB 5.430 . 5.430 4.340 3.728 4.923 . 0 0 "[ . 1 . 2]" 1
317 1 26 LEU QB 1 60 LEU MD1 4.750 . 4.750 3.863 3.711 4.035 . 0 0 "[ . 1 . 2]" 1
318 1 26 LEU QB 1 60 LEU MD2 4.340 . 4.340 4.446 4.251 4.546 0.206 8 0 "[ . 1 . 2]" 1
319 1 26 LEU HB2 1 60 LEU MD1 5.640 . 5.640 4.157 3.957 4.379 . 0 0 "[ . 1 . 2]" 1
320 1 26 LEU HB3 1 60 LEU MD1 5.640 . 5.640 4.594 4.480 4.823 . 0 0 "[ . 1 . 2]" 1
321 1 26 LEU MD1 1 60 LEU HA 5.330 . 5.330 4.555 3.879 5.404 0.074 18 0 "[ . 1 . 2]" 1
322 1 26 LEU MD1 1 60 LEU HB2 4.790 . 4.790 4.185 3.427 4.845 0.055 7 0 "[ . 1 . 2]" 1
323 1 26 LEU MD1 1 60 LEU HB3 5.180 . 5.180 2.876 1.896 3.915 . 0 0 "[ . 1 . 2]" 1
324 1 26 LEU MD1 1 64 PHE QD 5.940 . 5.940 4.240 3.207 4.883 . 0 0 "[ . 1 . 2]" 1
325 1 26 LEU MD2 1 27 LEU H 5.960 . 5.960 4.754 4.684 4.807 . 0 0 "[ . 1 . 2]" 1
326 1 26 LEU MD2 1 57 PHE HD1 5.060 . 5.060 2.932 2.137 4.012 . 0 0 "[ . 1 . 2]" 1
327 1 26 LEU MD2 1 57 PHE HE1 5.190 . 5.190 3.435 2.539 4.654 . 0 0 "[ . 1 . 2]" 1
328 1 26 LEU MD2 1 60 LEU HB2 4.500 . 4.500 2.898 2.330 3.695 . 0 0 "[ . 1 . 2]" 1
329 1 26 LEU MD2 1 60 LEU HB3 4.010 . 4.010 2.175 1.696 2.664 . 0 0 "[ . 1 . 2]" 1
330 1 26 LEU MD2 1 61 MET QG 5.810 . 5.810 3.760 2.297 4.563 . 0 0 "[ . 1 . 2]" 1
331 1 26 LEU MD2 1 64 PHE QD 5.250 . 5.250 4.236 3.530 5.329 0.079 18 0 "[ . 1 . 2]" 1
332 1 26 LEU HG 1 60 LEU MD1 4.770 . 4.770 1.945 1.733 2.168 . 0 0 "[ . 1 . 2]" 1
333 1 27 LEU H 1 27 LEU HB2 3.860 . 3.860 2.510 2.393 2.636 . 0 0 "[ . 1 . 2]" 1
334 1 27 LEU H 1 27 LEU QB 3.320 . 3.320 2.236 2.182 2.264 . 0 0 "[ . 1 . 2]" 1
335 1 27 LEU H 1 27 LEU HB3 3.860 . 3.860 2.516 2.458 2.606 . 0 0 "[ . 1 . 2]" 1
336 1 27 LEU H 1 27 LEU HG 4.890 . 4.890 4.535 4.495 4.569 . 0 0 "[ . 1 . 2]" 1
337 1 27 LEU H 1 28 GLU H 4.120 . 4.120 2.784 2.660 2.915 . 0 0 "[ . 1 . 2]" 1
338 1 27 LEU H 1 28 GLU HA 6.230 . 6.230 5.395 5.298 5.481 . 0 0 "[ . 1 . 2]" 1
339 1 27 LEU HA 1 27 LEU MD1 4.050 . 4.050 2.161 2.097 2.258 . 0 0 "[ . 1 . 2]" 1
340 1 27 LEU HA 1 29 CYS H 4.380 . 4.380 4.412 4.315 4.543 0.163 13 0 "[ . 1 . 2]" 1
341 1 27 LEU QB 1 28 GLU H 3.950 . 3.950 2.362 2.246 2.493 . 0 0 "[ . 1 . 2]" 1
342 1 27 LEU QB 1 28 GLU HA 6.010 . 6.010 4.229 4.117 4.310 . 0 0 "[ . 1 . 2]" 1
343 1 27 LEU QB 1 28 GLU QG 5.830 . 5.830 2.998 2.796 3.278 . 0 0 "[ . 1 . 2]" 1
344 1 27 LEU QB 1 29 CYS H 5.890 . 5.890 4.502 4.350 4.581 . 0 0 "[ . 1 . 2]" 1
345 1 27 LEU HB2 1 28 GLU H 4.680 . 4.680 3.770 3.680 3.852 . 0 0 "[ . 1 . 2]" 1
346 1 27 LEU HB3 1 28 GLU H 4.680 . 4.680 2.387 2.266 2.525 . 0 0 "[ . 1 . 2]" 1
347 1 27 LEU MD1 1 28 GLU H 5.740 . 5.740 4.453 4.325 4.572 . 0 0 "[ . 1 . 2]" 1
348 1 27 LEU MD1 1 30 GLN H 5.480 . 5.480 4.996 4.624 5.452 . 0 0 "[ . 1 . 2]" 1
349 1 27 LEU MD1 1 31 LYS H 5.990 . 5.990 4.848 4.317 5.896 . 0 0 "[ . 1 . 2]" 1
350 1 27 LEU HG 1 28 GLU H 5.910 . 5.910 3.644 3.430 3.852 . 0 0 "[ . 1 . 2]" 1
351 1 27 LEU HG 1 28 GLU QB 5.690 . 5.690 4.999 4.708 5.219 . 0 0 "[ . 1 . 2]" 1
352 1 28 GLU H 1 28 GLU QB 3.760 . 3.760 2.499 2.221 2.623 . 0 0 "[ . 1 . 2]" 1
353 1 28 GLU H 1 28 GLU HG2 4.620 . 4.620 2.390 2.005 3.321 . 0 0 "[ . 1 . 2]" 1
354 1 28 GLU H 1 28 GLU QG 3.930 . 3.930 2.278 1.994 2.575 . 0 0 "[ . 1 . 2]" 1
355 1 28 GLU H 1 28 GLU HG3 4.620 . 4.620 3.580 2.398 3.843 . 0 0 "[ . 1 . 2]" 1
356 1 28 GLU H 1 29 CYS H 4.120 . 4.120 2.579 2.525 2.682 . 0 0 "[ . 1 . 2]" 1
357 1 28 GLU H 1 30 GLN H 6.140 . 6.140 4.249 3.998 4.644 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLU H 1 42 LEU MD2 4.780 . 4.780 3.455 3.133 3.769 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLU HA 1 29 CYS HA 5.480 . 5.480 4.821 4.753 4.893 . 0 0 "[ . 1 . 2]" 1
360 1 28 GLU HA 1 30 GLN H 5.420 . 5.420 4.158 3.753 4.691 . 0 0 "[ . 1 . 2]" 1
361 1 28 GLU HA 1 31 LYS H 4.990 . 4.990 3.057 2.643 3.486 . 0 0 "[ . 1 . 2]" 1
362 1 28 GLU HA 1 31 LYS HA 5.780 . 5.780 4.830 4.380 5.433 . 0 0 "[ . 1 . 2]" 1
363 1 28 GLU HA 1 31 LYS QB 4.170 . 4.170 2.060 1.739 2.639 . 0 0 "[ . 1 . 2]" 1
364 1 28 GLU HA 1 32 ARG H 5.380 . 5.380 3.441 2.737 3.903 . 0 0 "[ . 1 . 2]" 1
365 1 28 GLU HA 1 38 THR MG 5.860 . 5.860 4.311 3.712 4.966 . 0 0 "[ . 1 . 2]" 1
366 1 28 GLU QB 1 32 ARG QD 5.210 . 5.210 3.065 2.086 3.901 . 0 0 "[ . 1 . 2]" 1
367 1 28 GLU QB 1 38 THR MG 4.110 . 4.110 2.698 1.731 3.821 . 0 0 "[ . 1 . 2]" 1
368 1 28 GLU QB 1 41 TYR QD 5.610 . 5.610 3.217 2.625 3.852 . 0 0 "[ . 1 . 2]" 1
369 1 28 GLU QB 1 41 TYR QE 4.610 . 4.610 3.352 1.845 4.736 0.126 2 0 "[ . 1 . 2]" 1
370 1 28 GLU HB2 1 38 THR MG 4.700 . 4.700 3.265 2.655 4.350 . 0 0 "[ . 1 . 2]" 1
371 1 28 GLU HB3 1 38 THR MG 4.700 . 4.700 2.910 1.744 4.234 . 0 0 "[ . 1 . 2]" 1
372 1 28 GLU QG 1 29 CYS H 4.190 . 4.190 4.245 4.088 4.330 0.140 20 0 "[ . 1 . 2]" 1
373 1 28 GLU QG 1 41 TYR QE 4.120 . 4.120 2.672 1.940 3.731 . 0 0 "[ . 1 . 2]" 1
374 1 28 GLU QG 1 42 LEU MD2 3.850 . 3.850 2.235 1.943 3.150 . 0 0 "[ . 1 . 2]" 1
375 1 28 GLU HG2 1 41 TYR QE 4.900 . 4.900 3.952 3.398 4.981 0.081 4 0 "[ . 1 . 2]" 1
376 1 28 GLU HG3 1 41 TYR QE 4.900 . 4.900 2.775 1.952 4.401 . 0 0 "[ . 1 . 2]" 1
377 1 29 CYS H 1 29 CYS QB 3.800 . 3.800 2.357 2.269 2.430 . 0 0 "[ . 1 . 2]" 1
378 1 29 CYS H 1 30 GLN H 4.060 . 4.060 2.640 2.531 2.760 . 0 0 "[ . 1 . 2]" 1
379 1 29 CYS H 1 31 LYS H 5.780 . 5.780 3.859 3.692 4.024 . 0 0 "[ . 1 . 2]" 1
380 1 29 CYS H 1 38 THR MG 5.570 . 5.570 3.912 3.523 4.424 . 0 0 "[ . 1 . 2]" 1
381 1 29 CYS H 1 42 LEU MD1 5.330 . 5.330 3.587 2.988 4.037 . 0 0 "[ . 1 . 2]" 1
382 1 29 CYS HA 1 30 GLN QG 5.190 . 5.190 5.129 4.792 5.304 0.114 16 0 "[ . 1 . 2]" 1
383 1 29 CYS HA 1 31 LYS H 6.300 . 6.300 4.252 3.546 4.594 . 0 0 "[ . 1 . 2]" 1
384 1 29 CYS HA 1 32 ARG H 5.490 . 5.490 4.020 3.438 4.766 . 0 0 "[ . 1 . 2]" 1
385 1 29 CYS HA 1 32 ARG QB 5.610 . 5.610 4.071 3.363 4.886 . 0 0 "[ . 1 . 2]" 1
386 1 29 CYS HA 1 33 GLY H 4.870 . 4.870 3.077 2.543 4.603 . 0 0 "[ . 1 . 2]" 1
387 1 29 CYS HA 1 38 THR MG 3.750 . 3.750 2.550 1.835 3.267 . 0 0 "[ . 1 . 2]" 1
388 1 29 CYS HA 1 42 LEU MD1 4.650 . 4.650 4.136 2.849 4.765 0.115 2 0 "[ . 1 . 2]" 1
389 1 29 CYS QB 1 30 GLN H 4.560 . 4.560 2.793 2.390 2.931 . 0 0 "[ . 1 . 2]" 1
390 1 29 CYS QB 1 57 PHE HD1 6.010 . 6.010 3.852 2.952 4.738 . 0 0 "[ . 1 . 2]" 1
391 1 29 CYS QB 1 57 PHE HE1 4.530 . 4.530 3.310 2.571 4.472 . 0 0 "[ . 1 . 2]" 1
392 1 29 CYS HB2 1 30 GLN H 5.390 . 5.390 3.430 2.707 4.118 . 0 0 "[ . 1 . 2]" 1
393 1 29 CYS HB3 1 30 GLN H 5.390 . 5.390 3.315 2.416 3.835 . 0 0 "[ . 1 . 2]" 1
394 1 30 GLN H 1 30 GLN HB2 4.050 . 4.050 2.731 2.428 3.696 . 0 0 "[ . 1 . 2]" 1
395 1 30 GLN H 1 30 GLN QB 3.500 . 3.500 2.490 2.393 2.751 . 0 0 "[ . 1 . 2]" 1
396 1 30 GLN H 1 30 GLN HB3 4.050 . 4.050 3.463 2.584 3.705 . 0 0 "[ . 1 . 2]" 1
397 1 30 GLN H 1 30 GLN QG 4.600 . 4.600 2.381 2.029 2.721 . 0 0 "[ . 1 . 2]" 1
398 1 30 GLN HA 1 33 GLY H 6.120 . 6.120 4.593 3.496 5.016 . 0 0 "[ . 1 . 2]" 1
399 1 30 GLN QB 1 31 LYS H 3.990 . 3.990 3.123 2.650 3.677 . 0 0 "[ . 1 . 2]" 1
400 1 30 GLN HB2 1 31 LYS H 4.650 . 4.650 3.281 2.708 4.043 . 0 0 "[ . 1 . 2]" 1
401 1 30 GLN HB3 1 31 LYS H 4.650 . 4.650 4.041 3.755 4.423 . 0 0 "[ . 1 . 2]" 1
402 1 30 GLN QG 1 31 LYS H 5.270 . 5.270 3.896 2.382 4.552 . 0 0 "[ . 1 . 2]" 1
403 1 31 LYS H 1 31 LYS QB 3.680 . 3.680 2.288 2.125 2.480 . 0 0 "[ . 1 . 2]" 1
404 1 31 LYS H 1 31 LYS QG 4.760 . 4.760 3.770 2.327 4.191 . 0 0 "[ . 1 . 2]" 1
405 1 31 LYS H 1 32 ARG H 4.210 . 4.210 2.703 2.322 2.934 . 0 0 "[ . 1 . 2]" 1
406 1 31 LYS H 1 32 ARG QB 5.960 . 5.960 4.810 4.487 5.179 . 0 0 "[ . 1 . 2]" 1
407 1 31 LYS H 1 33 GLY H 5.690 . 5.690 3.993 2.885 4.638 . 0 0 "[ . 1 . 2]" 1
408 1 31 LYS QB 1 33 GLY H 5.860 . 5.860 4.450 4.027 5.153 . 0 0 "[ . 1 . 2]" 1
409 1 31 LYS HB2 1 32 ARG H 5.220 . 5.220 3.407 2.085 4.081 . 0 0 "[ . 1 . 2]" 1
410 1 31 LYS HB3 1 32 ARG H 5.220 . 5.220 2.526 2.009 3.656 . 0 0 "[ . 1 . 2]" 1
411 1 32 ARG H 1 32 ARG QB 3.820 . 3.820 2.465 2.189 2.635 . 0 0 "[ . 1 . 2]" 1
412 1 32 ARG H 1 33 GLY H 3.890 . 3.890 2.476 2.048 2.610 . 0 0 "[ . 1 . 2]" 1
413 1 32 ARG H 1 38 THR MG 5.720 . 5.720 3.791 3.328 4.349 . 0 0 "[ . 1 . 2]" 1
414 1 32 ARG HA 1 38 THR MG 5.970 . 5.970 4.965 4.530 5.439 . 0 0 "[ . 1 . 2]" 1
415 1 32 ARG QB 1 38 THR HA 5.990 . 5.990 4.020 3.248 5.016 . 0 0 "[ . 1 . 2]" 1
416 1 32 ARG QB 1 38 THR MG 4.710 . 4.710 2.399 2.009 2.849 . 0 0 "[ . 1 . 2]" 1
417 1 32 ARG QD 1 33 GLY H 5.940 . 5.940 4.618 3.700 5.958 0.018 10 0 "[ . 1 . 2]" 1
418 1 32 ARG QD 1 38 THR HA 5.570 . 5.570 3.608 2.477 4.802 . 0 0 "[ . 1 . 2]" 1
419 1 32 ARG QD 1 38 THR MG 4.510 . 4.510 2.519 1.833 3.662 . 0 0 "[ . 1 . 2]" 1
420 1 32 ARG HD2 1 38 THR MG 5.230 . 5.230 3.394 1.840 4.746 . 0 0 "[ . 1 . 2]" 1
421 1 32 ARG HD2 1 41 TYR QD 6.260 . 6.260 4.279 2.615 5.780 . 0 0 "[ . 1 . 2]" 1
422 1 32 ARG HD3 1 38 THR MG 5.230 . 5.230 2.996 1.854 4.306 . 0 0 "[ . 1 . 2]" 1
423 1 32 ARG HD3 1 41 TYR QD 6.260 . 6.260 4.093 2.717 5.736 . 0 0 "[ . 1 . 2]" 1
424 1 32 ARG QG 1 38 THR HA 6.000 . 6.000 4.811 3.100 5.627 . 0 0 "[ . 1 . 2]" 1
425 1 32 ARG QG 1 38 THR MG 4.800 . 4.800 3.529 2.873 4.319 . 0 0 "[ . 1 . 2]" 1
426 1 33 GLY H 1 34 PRO QD 5.600 . 5.600 4.101 3.354 4.444 . 0 0 "[ . 1 . 2]" 1
427 1 33 GLY H 1 38 THR MG 5.910 . 5.910 3.316 2.670 4.291 . 0 0 "[ . 1 . 2]" 1
428 1 33 GLY QA 1 34 PRO QB 5.290 . 5.290 4.395 4.165 4.527 . 0 0 "[ . 1 . 2]" 1
429 1 33 GLY QA 1 34 PRO QG 4.960 . 4.960 3.760 3.537 3.900 . 0 0 "[ . 1 . 2]" 1
430 1 33 GLY QA 1 35 SER H 5.900 . 5.900 4.104 3.167 5.045 . 0 0 "[ . 1 . 2]" 1
431 1 34 PRO HA 1 35 SER H 3.550 . 3.550 2.563 2.198 3.324 . 0 0 "[ . 1 . 2]" 1
432 1 34 PRO HA 1 35 SER HA 6.010 . 6.010 4.596 4.410 4.916 . 0 0 "[ . 1 . 2]" 1
433 1 34 PRO HA 1 38 THR MG 5.270 . 5.270 3.907 3.275 4.527 . 0 0 "[ . 1 . 2]" 1
434 1 35 SER H 1 38 THR H 5.200 . 5.200 3.866 3.549 4.400 . 0 0 "[ . 1 . 2]" 1
435 1 35 SER H 1 38 THR HB 4.600 . 4.600 2.686 2.133 3.989 . 0 0 "[ . 1 . 2]" 1
436 1 35 SER H 1 38 THR HG1 5.370 . 5.370 3.111 2.602 4.260 . 0 0 "[ . 1 . 2]" 1
437 1 35 SER H 1 38 THR MG 5.220 . 5.220 3.728 3.346 4.670 . 0 0 "[ . 1 . 2]" 1
438 1 35 SER QB 1 37 LYS QB 4.600 . 4.600 3.449 2.370 4.641 0.041 1 0 "[ . 1 . 2]" 1
439 1 35 SER QB 1 38 THR H 3.870 . 3.870 2.969 2.402 3.805 . 0 0 "[ . 1 . 2]" 1
440 1 36 SER QB 1 39 PHE H 5.020 . 5.020 4.878 4.623 5.105 0.085 3 0 "[ . 1 . 2]" 1
441 1 36 SER QB 1 39 PHE QD 4.380 . 4.380 3.587 3.216 4.361 . 0 0 "[ . 1 . 2]" 1
442 1 36 SER QB 1 39 PHE QE 5.720 . 5.720 4.734 4.063 5.861 0.141 6 0 "[ . 1 . 2]" 1
443 1 36 SER QB 1 40 ALA H 5.840 . 5.840 4.866 4.375 5.260 . 0 0 "[ . 1 . 2]" 1
444 1 37 LYS HA 1 40 ALA H 5.300 . 5.300 3.479 2.843 4.382 . 0 0 "[ . 1 . 2]" 1
445 1 37 LYS HA 1 40 ALA MB 4.060 . 4.060 2.600 2.040 3.702 . 0 0 "[ . 1 . 2]" 1
446 1 37 LYS QB 1 38 THR H 4.280 . 4.280 3.021 2.502 3.819 . 0 0 "[ . 1 . 2]" 1
447 1 38 THR H 1 39 PHE H 4.030 . 4.030 2.364 2.288 2.442 . 0 0 "[ . 1 . 2]" 1
448 1 38 THR H 1 39 PHE HB3 5.680 . 5.680 5.878 5.831 5.937 0.257 15 0 "[ . 1 . 2]" 1
449 1 38 THR H 1 39 PHE QD 5.070 . 5.070 4.690 3.502 4.896 . 0 0 "[ . 1 . 2]" 1
450 1 38 THR H 1 40 ALA H 5.680 . 5.680 3.750 3.589 4.043 . 0 0 "[ . 1 . 2]" 1
451 1 38 THR HA 1 41 TYR H 4.990 . 4.990 3.297 2.990 3.617 . 0 0 "[ . 1 . 2]" 1
452 1 38 THR HA 1 41 TYR HB2 5.110 . 5.110 3.379 2.833 3.867 . 0 0 "[ . 1 . 2]" 1
453 1 38 THR HA 1 41 TYR QB 4.360 . 4.360 2.518 1.993 2.968 . 0 0 "[ . 1 . 2]" 1
454 1 38 THR HA 1 41 TYR HB3 5.110 . 5.110 2.603 2.037 3.085 . 0 0 "[ . 1 . 2]" 1
455 1 38 THR HA 1 41 TYR QD 5.640 . 5.640 4.015 2.997 4.596 . 0 0 "[ . 1 . 2]" 1
456 1 38 THR HA 1 42 LEU H 5.910 . 5.910 4.126 3.726 4.403 . 0 0 "[ . 1 . 2]" 1
457 1 38 THR HB 1 39 PHE H 4.060 . 4.060 2.693 2.370 2.949 . 0 0 "[ . 1 . 2]" 1
458 1 38 THR HB 1 39 PHE QD 5.240 . 5.240 4.179 3.347 4.596 . 0 0 "[ . 1 . 2]" 1
459 1 38 THR MG 1 39 PHE H 5.230 . 5.230 3.618 3.403 3.840 . 0 0 "[ . 1 . 2]" 1
460 1 38 THR MG 1 39 PHE HA 4.880 . 4.880 3.822 3.531 4.092 . 0 0 "[ . 1 . 2]" 1
461 1 38 THR MG 1 39 PHE QD 4.730 . 4.730 3.959 3.341 4.458 . 0 0 "[ . 1 . 2]" 1
462 1 38 THR MG 1 41 TYR H 6.040 . 6.040 4.664 4.468 4.880 . 0 0 "[ . 1 . 2]" 1
463 1 38 THR MG 1 41 TYR HB2 6.300 . 6.300 4.663 4.315 5.125 . 0 0 "[ . 1 . 2]" 1
464 1 38 THR MG 1 41 TYR QB 5.490 . 5.490 3.409 3.089 3.833 . 0 0 "[ . 1 . 2]" 1
465 1 38 THR MG 1 41 TYR HB3 6.300 . 6.300 3.505 3.164 3.958 . 0 0 "[ . 1 . 2]" 1
466 1 38 THR MG 1 41 TYR QD 4.040 . 4.040 3.411 2.430 4.093 0.053 7 0 "[ . 1 . 2]" 1
467 1 38 THR MG 1 42 LEU H 4.860 . 4.860 4.027 3.779 4.255 . 0 0 "[ . 1 . 2]" 1
468 1 38 THR MG 1 42 LEU HB2 4.900 . 4.900 4.242 3.973 4.413 . 0 0 "[ . 1 . 2]" 1
469 1 38 THR MG 1 42 LEU HG 3.720 . 3.720 2.951 2.550 3.236 . 0 0 "[ . 1 . 2]" 1
470 1 39 PHE H 1 39 PHE HB2 4.070 . 4.070 2.494 2.426 2.557 . 0 0 "[ . 1 . 2]" 1
471 1 39 PHE H 1 39 PHE QD 4.630 . 4.630 3.163 2.164 3.331 . 0 0 "[ . 1 . 2]" 1
472 1 39 PHE H 1 40 ALA H 4.160 . 4.160 2.638 2.559 2.704 . 0 0 "[ . 1 . 2]" 1
473 1 39 PHE H 1 40 ALA MB 5.520 . 5.520 4.318 4.217 4.398 . 0 0 "[ . 1 . 2]" 1
474 1 39 PHE HA 1 39 PHE QD 3.870 . 3.870 2.172 2.033 3.059 . 0 0 "[ . 1 . 2]" 1
475 1 39 PHE HA 1 42 LEU H 5.200 . 5.200 3.405 3.060 3.868 . 0 0 "[ . 1 . 2]" 1
476 1 39 PHE HA 1 42 LEU HB2 4.740 . 4.740 2.434 2.132 3.069 . 0 0 "[ . 1 . 2]" 1
477 1 39 PHE HA 1 42 LEU HB3 5.430 . 5.430 4.037 3.754 4.621 . 0 0 "[ . 1 . 2]" 1
478 1 39 PHE HA 1 42 LEU MD1 4.890 . 4.890 2.567 2.230 3.313 . 0 0 "[ . 1 . 2]" 1
479 1 39 PHE HA 1 42 LEU HG 6.070 . 6.070 3.931 3.480 4.891 . 0 0 "[ . 1 . 2]" 1
480 1 39 PHE HA 1 43 ALA H 5.710 . 5.710 4.061 3.902 4.224 . 0 0 "[ . 1 . 2]" 1
481 1 39 PHE HA 1 53 VAL HB 4.730 . 4.730 3.563 3.018 3.918 . 0 0 "[ . 1 . 2]" 1
482 1 39 PHE HA 1 53 VAL MG1 4.340 . 4.340 2.363 2.061 2.758 . 0 0 "[ . 1 . 2]" 1
483 1 39 PHE HB2 1 40 ALA H 4.750 . 4.750 2.826 2.585 2.998 . 0 0 "[ . 1 . 2]" 1
484 1 39 PHE HB2 1 42 LEU HB2 5.860 . 5.860 5.329 5.007 5.883 0.023 19 0 "[ . 1 . 2]" 1
485 1 39 PHE HB2 1 50 PRO QB 5.600 . 5.600 3.330 2.630 4.126 . 0 0 "[ . 1 . 2]" 1
486 1 39 PHE HB2 1 53 VAL MG1 5.660 . 5.660 4.372 3.977 4.791 . 0 0 "[ . 1 . 2]" 1
487 1 39 PHE HB3 1 40 ALA H 5.400 . 5.400 3.807 3.658 3.921 . 0 0 "[ . 1 . 2]" 1
488 1 39 PHE HB3 1 40 ALA HA 6.090 . 6.090 4.695 4.595 4.810 . 0 0 "[ . 1 . 2]" 1
489 1 39 PHE HB3 1 50 PRO HA 5.500 . 5.500 3.059 2.456 3.744 . 0 0 "[ . 1 . 2]" 1
490 1 39 PHE HB3 1 50 PRO QB 6.070 . 6.070 3.264 2.664 4.074 . 0 0 "[ . 1 . 2]" 1
491 1 39 PHE HB3 1 53 VAL HB 5.370 . 5.370 2.806 2.226 3.599 . 0 0 "[ . 1 . 2]" 1
492 1 39 PHE HB3 1 53 VAL MG1 5.130 . 5.130 3.174 2.661 3.726 . 0 0 "[ . 1 . 2]" 1
493 1 39 PHE QD 1 40 ALA H 5.950 . 5.950 4.514 4.219 4.642 . 0 0 "[ . 1 . 2]" 1
494 1 39 PHE QD 1 42 LEU HB2 4.990 . 4.990 3.746 3.182 4.581 . 0 0 "[ . 1 . 2]" 1
495 1 39 PHE QD 1 42 LEU MD1 4.630 . 4.630 2.612 1.700 3.754 . 0 0 "[ . 1 . 2]" 1
496 1 39 PHE QD 1 53 VAL HB 5.510 . 5.510 3.645 2.804 4.376 . 0 0 "[ . 1 . 2]" 1
497 1 39 PHE QD 1 53 VAL MG1 3.860 . 3.860 2.119 1.888 2.656 . 0 0 "[ . 1 . 2]" 1
498 1 39 PHE QD 1 54 SER H 5.700 . 5.700 4.251 3.284 4.552 . 0 0 "[ . 1 . 2]" 1
499 1 39 PHE QD 1 54 SER HA 5.120 . 5.120 3.452 2.711 3.952 . 0 0 "[ . 1 . 2]" 1
500 1 39 PHE QD 1 54 SER QB 5.050 . 5.050 3.111 2.329 4.416 . 0 0 "[ . 1 . 2]" 1
501 1 39 PHE QD 1 57 PHE HB3 5.520 . 5.520 4.740 3.797 5.300 . 0 0 "[ . 1 . 2]" 1
502 1 39 PHE QE 1 54 SER H 5.460 . 5.460 5.176 4.635 5.524 0.064 9 0 "[ . 1 . 2]" 1
503 1 39 PHE QE 1 54 SER HA 5.510 . 5.510 3.210 2.369 3.645 . 0 0 "[ . 1 . 2]" 1
504 1 39 PHE QE 1 57 PHE H 6.150 . 6.150 4.892 4.092 5.410 . 0 0 "[ . 1 . 2]" 1
505 1 39 PHE QE 1 57 PHE HB2 5.440 . 5.440 2.766 2.090 3.384 . 0 0 "[ . 1 . 2]" 1
506 1 39 PHE QE 1 57 PHE HB3 5.690 . 5.690 3.302 2.349 3.934 . 0 0 "[ . 1 . 2]" 1
507 1 39 PHE QE 1 57 PHE HD1 5.100 . 5.100 4.186 3.602 4.870 . 0 0 "[ . 1 . 2]" 1
508 1 39 PHE QE 1 58 GLN QG 6.100 . 6.100 4.765 3.794 5.374 . 0 0 "[ . 1 . 2]" 1
509 1 40 ALA H 1 40 ALA MB 3.550 . 3.550 2.253 2.226 2.274 . 0 0 "[ . 1 . 2]" 1
510 1 40 ALA H 1 41 TYR H 4.150 . 4.150 2.634 2.545 2.728 . 0 0 "[ . 1 . 2]" 1
511 1 40 ALA H 1 41 TYR QB 5.700 . 5.700 4.338 4.139 4.474 . 0 0 "[ . 1 . 2]" 1
512 1 40 ALA H 1 42 LEU H 5.230 . 5.230 4.191 3.956 4.385 . 0 0 "[ . 1 . 2]" 1
513 1 40 ALA H 1 43 ALA MB 5.860 . 5.860 4.508 4.292 4.741 . 0 0 "[ . 1 . 2]" 1
514 1 40 ALA H 1 50 PRO HA 5.620 . 5.620 4.837 4.068 5.464 . 0 0 "[ . 1 . 2]" 1
515 1 40 ALA HA 1 43 ALA H 5.210 . 5.210 3.401 3.178 3.711 . 0 0 "[ . 1 . 2]" 1
516 1 40 ALA HA 1 43 ALA HA 6.160 . 6.160 5.119 4.855 5.531 . 0 0 "[ . 1 . 2]" 1
517 1 40 ALA HA 1 43 ALA MB 4.180 . 4.180 2.461 2.194 2.830 . 0 0 "[ . 1 . 2]" 1
518 1 40 ALA HA 1 44 ALA H 5.690 . 5.690 4.363 4.015 4.705 . 0 0 "[ . 1 . 2]" 1
519 1 40 ALA HA 1 50 PRO QB 4.660 . 4.660 2.825 1.970 3.677 . 0 0 "[ . 1 . 2]" 1
520 1 40 ALA HA 1 50 PRO QG 4.440 . 4.440 2.674 1.765 3.972 . 0 0 "[ . 1 . 2]" 1
521 1 40 ALA HA 1 53 VAL MG2 6.000 . 6.000 4.967 4.574 5.576 . 0 0 "[ . 1 . 2]" 1
522 1 40 ALA MB 1 41 TYR H 4.030 . 4.030 2.600 2.502 2.713 . 0 0 "[ . 1 . 2]" 1
523 1 40 ALA MB 1 41 TYR HA 5.270 . 5.270 4.027 3.957 4.077 . 0 0 "[ . 1 . 2]" 1
524 1 40 ALA MB 1 41 TYR QB 6.080 . 6.080 3.956 3.758 4.072 . 0 0 "[ . 1 . 2]" 1
525 1 40 ALA MB 1 42 LEU H 5.810 . 5.810 4.708 4.567 4.835 . 0 0 "[ . 1 . 2]" 1
526 1 40 ALA MB 1 50 PRO QB 4.630 . 4.630 3.295 2.598 4.225 . 0 0 "[ . 1 . 2]" 1
527 1 40 ALA MB 1 50 PRO QG 4.690 . 4.690 3.302 2.412 4.263 . 0 0 "[ . 1 . 2]" 1
528 1 41 TYR H 1 41 TYR HB2 4.350 . 4.350 2.662 2.524 2.743 . 0 0 "[ . 1 . 2]" 1
529 1 41 TYR H 1 41 TYR QB 3.520 . 3.520 2.247 2.143 2.311 . 0 0 "[ . 1 . 2]" 1
530 1 41 TYR H 1 41 TYR HB3 4.350 . 4.350 2.428 2.238 2.541 . 0 0 "[ . 1 . 2]" 1
531 1 41 TYR H 1 41 TYR QD 4.710 . 4.710 4.241 4.146 4.285 . 0 0 "[ . 1 . 2]" 1
532 1 41 TYR H 1 42 LEU H 4.140 . 4.140 2.743 2.543 2.834 . 0 0 "[ . 1 . 2]" 1
533 1 41 TYR H 1 43 ALA H 5.860 . 5.860 3.949 3.816 4.146 . 0 0 "[ . 1 . 2]" 1
534 1 41 TYR H 1 43 ALA MB 5.460 . 5.460 4.556 4.429 4.740 . 0 0 "[ . 1 . 2]" 1
535 1 41 TYR HA 1 41 TYR QD 4.070 . 4.070 2.685 2.509 2.836 . 0 0 "[ . 1 . 2]" 1
536 1 41 TYR HA 1 44 ALA H 5.470 . 5.470 3.694 3.234 4.008 . 0 0 "[ . 1 . 2]" 1
537 1 41 TYR HA 1 44 ALA MB 4.660 . 4.660 3.170 2.651 3.595 . 0 0 "[ . 1 . 2]" 1
538 1 41 TYR QB 1 42 LEU H 4.150 . 4.150 2.459 2.287 2.666 . 0 0 "[ . 1 . 2]" 1
539 1 41 TYR QB 1 44 ALA MB 5.960 . 5.960 4.801 4.243 5.170 . 0 0 "[ . 1 . 2]" 1
540 1 41 TYR HB2 1 42 LEU H 4.950 . 4.950 3.861 3.721 4.004 . 0 0 "[ . 1 . 2]" 1
541 1 41 TYR HB3 1 42 LEU H 4.950 . 4.950 2.488 2.308 2.707 . 0 0 "[ . 1 . 2]" 1
542 1 41 TYR QD 1 42 LEU H 4.570 . 4.570 3.359 3.037 3.800 . 0 0 "[ . 1 . 2]" 1
543 1 41 TYR QD 1 42 LEU HA 4.620 . 4.620 3.801 3.294 4.406 . 0 0 "[ . 1 . 2]" 1
544 1 41 TYR QD 1 42 LEU HG 3.960 . 3.960 2.729 2.416 3.462 . 0 0 "[ . 1 . 2]" 1
545 1 41 TYR QE 1 42 LEU MD2 4.260 . 4.260 3.579 2.910 4.343 0.083 4 0 "[ . 1 . 2]" 1
546 1 42 LEU H 1 42 LEU HB2 4.040 . 4.040 2.359 2.262 2.460 . 0 0 "[ . 1 . 2]" 1
547 1 42 LEU H 1 42 LEU MD1 4.690 . 4.690 3.490 3.392 3.610 . 0 0 "[ . 1 . 2]" 1
548 1 42 LEU H 1 42 LEU HG 4.230 . 4.230 2.463 2.240 2.756 . 0 0 "[ . 1 . 2]" 1
549 1 42 LEU H 1 44 ALA H 5.660 . 5.660 4.460 4.060 4.762 . 0 0 "[ . 1 . 2]" 1
550 1 42 LEU HA 1 42 LEU MD1 4.600 . 4.600 3.922 3.888 3.940 . 0 0 "[ . 1 . 2]" 1
551 1 42 LEU HA 1 42 LEU MD2 3.600 . 3.600 2.092 2.011 2.146 . 0 0 "[ . 1 . 2]" 1
552 1 42 LEU HA 1 43 ALA MB 5.880 . 5.880 5.026 5.000 5.059 . 0 0 "[ . 1 . 2]" 1
553 1 42 LEU HA 1 44 ALA H 5.930 . 5.930 4.550 4.202 4.864 . 0 0 "[ . 1 . 2]" 1
554 1 42 LEU HA 1 45 LYS H 4.620 . 4.620 3.265 2.992 3.530 . 0 0 "[ . 1 . 2]" 1
555 1 42 LEU HA 1 45 LYS HB2 4.840 . 4.840 3.237 2.727 4.929 0.089 13 0 "[ . 1 . 2]" 1
556 1 42 LEU HA 1 45 LYS HB3 4.460 . 4.460 2.327 1.886 4.377 . 0 0 "[ . 1 . 2]" 1
557 1 42 LEU HA 1 46 LEU H 5.160 . 5.160 3.677 3.309 3.978 . 0 0 "[ . 1 . 2]" 1
558 1 42 LEU HA 1 46 LEU MD1 5.630 . 5.630 3.873 3.568 4.386 . 0 0 "[ . 1 . 2]" 1
559 1 42 LEU HA 1 46 LEU HG 5.640 . 5.640 3.341 3.016 3.973 . 0 0 "[ . 1 . 2]" 1
560 1 42 LEU HB2 1 43 ALA H 4.410 . 4.410 2.965 2.805 3.079 . 0 0 "[ . 1 . 2]" 1
561 1 42 LEU HB2 1 43 ALA MB 4.740 . 4.740 4.387 4.212 4.507 . 0 0 "[ . 1 . 2]" 1
562 1 42 LEU HB2 1 53 VAL MG1 4.040 . 4.040 1.938 1.808 2.227 . 0 0 "[ . 1 . 2]" 1
563 1 42 LEU HB3 1 43 ALA H 5.000 . 5.000 3.797 3.640 3.929 . 0 0 "[ . 1 . 2]" 1
564 1 42 LEU HB3 1 43 ALA HA 5.420 . 5.420 4.630 4.499 4.778 . 0 0 "[ . 1 . 2]" 1
565 1 42 LEU HB3 1 46 LEU H 5.290 . 5.290 4.760 4.553 5.006 . 0 0 "[ . 1 . 2]" 1
566 1 42 LEU HB3 1 46 LEU MD1 4.530 . 4.530 2.734 2.474 3.285 . 0 0 "[ . 1 . 2]" 1
567 1 42 LEU HB3 1 46 LEU HG 5.790 . 5.790 3.623 3.282 4.157 . 0 0 "[ . 1 . 2]" 1
568 1 42 LEU HB3 1 53 VAL MG1 4.080 . 4.080 2.348 2.076 2.504 . 0 0 "[ . 1 . 2]" 1
569 1 42 LEU HB3 1 53 VAL MG2 3.780 . 3.780 2.946 2.716 3.198 . 0 0 "[ . 1 . 2]" 1
570 1 42 LEU MD2 1 45 LYS QD 4.870 . 4.870 3.923 1.816 4.778 . 0 0 "[ . 1 . 2]" 1
571 1 42 LEU MD2 1 45 LYS QG 4.420 . 4.420 3.060 2.674 3.696 . 0 0 "[ . 1 . 2]" 1
572 1 42 LEU MD2 1 46 LEU HG 3.980 . 3.980 3.258 2.798 3.684 . 0 0 "[ . 1 . 2]" 1
573 1 42 LEU HG 1 45 LYS QG 5.450 . 5.450 5.089 4.382 5.532 0.082 2 0 "[ . 1 . 2]" 1
574 1 42 LEU HG 1 53 VAL MG1 5.930 . 5.930 3.910 3.774 3.977 . 0 0 "[ . 1 . 2]" 1
575 1 43 ALA H 1 43 ALA MB 3.590 . 3.590 2.250 2.232 2.277 . 0 0 "[ . 1 . 2]" 1
576 1 43 ALA H 1 44 ALA H 4.200 . 4.200 2.778 2.653 2.900 . 0 0 "[ . 1 . 2]" 1
577 1 43 ALA H 1 45 LYS H 6.000 . 6.000 3.931 3.751 4.454 . 0 0 "[ . 1 . 2]" 1
578 1 43 ALA H 1 50 PRO HA 6.000 . 6.000 4.191 3.906 4.523 . 0 0 "[ . 1 . 2]" 1
579 1 43 ALA H 1 53 VAL MG1 4.450 . 4.450 3.886 3.469 4.467 0.017 17 0 "[ . 1 . 2]" 1
580 1 43 ALA H 1 53 VAL MG2 5.070 . 5.070 3.036 2.757 3.503 . 0 0 "[ . 1 . 2]" 1
581 1 43 ALA HA 1 46 LEU H 5.870 . 5.870 3.924 3.673 4.249 . 0 0 "[ . 1 . 2]" 1
582 1 43 ALA HA 1 48 LYS H 4.590 . 4.590 3.029 2.803 3.739 . 0 0 "[ . 1 . 2]" 1
583 1 43 ALA HA 1 48 LYS HB2 4.460 . 4.460 2.869 2.264 4.107 . 0 0 "[ . 1 . 2]" 1
584 1 43 ALA HA 1 48 LYS HB3 5.640 . 5.640 4.298 3.746 5.319 . 0 0 "[ . 1 . 2]" 1
585 1 43 ALA HA 1 53 VAL HB 5.710 . 5.710 4.790 4.361 5.368 . 0 0 "[ . 1 . 2]" 1
586 1 43 ALA HA 1 53 VAL MG2 4.160 . 4.160 2.459 2.259 2.944 . 0 0 "[ . 1 . 2]" 1
587 1 43 ALA MB 1 44 ALA H 3.270 . 3.270 2.360 2.178 2.667 . 0 0 "[ . 1 . 2]" 1
588 1 43 ALA MB 1 48 LYS H 4.920 . 4.920 4.028 3.511 4.806 . 0 0 "[ . 1 . 2]" 1
589 1 43 ALA MB 1 49 ASN H 5.670 . 5.670 4.241 3.743 4.889 . 0 0 "[ . 1 . 2]" 1
590 1 43 ALA MB 1 49 ASN HA 4.430 . 4.430 2.703 2.184 3.410 . 0 0 "[ . 1 . 2]" 1
591 1 43 ALA MB 1 50 PRO HA 3.830 . 3.830 2.461 2.122 2.961 . 0 0 "[ . 1 . 2]" 1
592 1 43 ALA MB 1 50 PRO HB2 5.210 . 5.210 4.268 3.741 4.625 . 0 0 "[ . 1 . 2]" 1
593 1 43 ALA MB 1 50 PRO QB 4.550 . 4.550 3.218 2.253 3.842 . 0 0 "[ . 1 . 2]" 1
594 1 43 ALA MB 1 50 PRO HB3 5.210 . 5.210 3.353 2.272 4.105 . 0 0 "[ . 1 . 2]" 1
595 1 43 ALA MB 1 50 PRO QD 4.130 . 4.130 2.399 2.130 2.885 . 0 0 "[ . 1 . 2]" 1
596 1 43 ALA MB 1 50 PRO QG 4.050 . 4.050 2.794 2.248 3.754 . 0 0 "[ . 1 . 2]" 1
597 1 43 ALA MB 1 53 VAL HB 5.990 . 5.990 4.037 3.652 4.804 . 0 0 "[ . 1 . 2]" 1
598 1 43 ALA MB 1 53 VAL MG1 5.430 . 5.430 4.287 3.937 4.792 . 0 0 "[ . 1 . 2]" 1
599 1 43 ALA MB 1 53 VAL MG2 4.010 . 4.010 2.821 2.544 3.314 . 0 0 "[ . 1 . 2]" 1
600 1 44 ALA H 1 45 LYS H 3.960 . 3.960 2.616 2.512 2.890 . 0 0 "[ . 1 . 2]" 1
601 1 44 ALA H 1 46 LEU H 6.140 . 6.140 4.358 4.104 4.613 . 0 0 "[ . 1 . 2]" 1
602 1 44 ALA HA 1 46 LEU H 5.820 . 5.820 4.629 4.212 4.913 . 0 0 "[ . 1 . 2]" 1
603 1 44 ALA HA 1 47 ASP H 4.970 . 4.970 3.794 3.461 4.422 . 0 0 "[ . 1 . 2]" 1
604 1 44 ALA HA 1 48 LYS H 6.170 . 6.170 4.751 4.433 5.377 . 0 0 "[ . 1 . 2]" 1
605 1 44 ALA MB 1 45 LYS H 4.180 . 4.180 2.748 2.365 2.933 . 0 0 "[ . 1 . 2]" 1
606 1 44 ALA MB 1 47 ASP H 6.230 . 6.230 4.787 4.580 5.077 . 0 0 "[ . 1 . 2]" 1
607 1 45 LYS H 1 45 LYS HB2 4.350 . 4.350 2.652 2.368 3.664 . 0 0 "[ . 1 . 2]" 1
608 1 45 LYS H 1 45 LYS HB3 4.040 . 4.040 2.521 2.356 2.690 . 0 0 "[ . 1 . 2]" 1
609 1 45 LYS H 1 46 LEU H 3.980 . 3.980 2.604 2.435 2.805 . 0 0 "[ . 1 . 2]" 1
610 1 45 LYS H 1 47 ASP H 4.940 . 4.940 3.868 3.569 4.278 . 0 0 "[ . 1 . 2]" 1
611 1 45 LYS H 1 48 LYS H 5.510 . 5.510 5.173 4.767 5.547 0.037 11 0 "[ . 1 . 2]" 1
612 1 45 LYS HB2 1 46 LEU H 5.080 . 5.080 3.887 3.581 4.128 . 0 0 "[ . 1 . 2]" 1
613 1 45 LYS HB3 1 46 LEU H 3.980 . 3.980 2.772 2.310 4.127 0.147 13 0 "[ . 1 . 2]" 1
614 1 45 LYS QG 1 46 LEU H 5.300 . 5.300 3.682 2.095 4.469 . 0 0 "[ . 1 . 2]" 1
615 1 45 LYS QG 1 46 LEU HA 5.600 . 5.600 4.094 3.520 5.082 . 0 0 "[ . 1 . 2]" 1
616 1 45 LYS QG 1 46 LEU MD2 4.300 . 4.300 2.910 1.998 4.160 . 0 0 "[ . 1 . 2]" 1
617 1 45 LYS QG 1 46 LEU HG 5.960 . 5.960 3.204 1.742 4.362 . 0 0 "[ . 1 . 2]" 1
618 1 45 LYS QG 1 47 ASP H 5.650 . 5.650 5.271 4.407 5.765 0.115 19 0 "[ . 1 . 2]" 1
619 1 46 LEU H 1 46 LEU HB2 3.830 . 3.830 2.537 2.432 2.628 . 0 0 "[ . 1 . 2]" 1
620 1 46 LEU H 1 46 LEU MD1 4.570 . 4.570 3.830 3.606 4.020 . 0 0 "[ . 1 . 2]" 1
621 1 46 LEU H 1 46 LEU MD2 5.440 . 5.440 3.556 3.313 3.793 . 0 0 "[ . 1 . 2]" 1
622 1 46 LEU H 1 46 LEU HG 4.050 . 4.050 2.620 2.244 2.961 . 0 0 "[ . 1 . 2]" 1
623 1 46 LEU H 1 47 ASP H 3.830 . 3.830 2.445 2.248 2.719 . 0 0 "[ . 1 . 2]" 1
624 1 46 LEU H 1 47 ASP HA 6.010 . 6.010 4.567 4.356 4.769 . 0 0 "[ . 1 . 2]" 1
625 1 46 LEU H 1 48 LYS H 5.010 . 5.010 3.603 3.336 4.239 . 0 0 "[ . 1 . 2]" 1
626 1 46 LEU HA 1 46 LEU MD2 3.690 . 3.690 2.131 2.009 2.271 . 0 0 "[ . 1 . 2]" 1
627 1 46 LEU HA 1 48 LYS H 5.410 . 5.410 4.656 4.264 5.474 0.064 19 0 "[ . 1 . 2]" 1
628 1 46 LEU HB2 1 47 ASP H 5.300 . 5.300 3.678 3.400 3.916 . 0 0 "[ . 1 . 2]" 1
629 1 46 LEU HB2 1 48 LYS QG 4.820 . 4.820 2.749 1.796 4.426 . 0 0 "[ . 1 . 2]" 1
630 1 46 LEU HB3 1 47 ASP H 5.520 . 5.520 4.371 4.153 4.505 . 0 0 "[ . 1 . 2]" 1
631 1 46 LEU HB3 1 47 ASP QB 5.950 . 5.950 5.040 4.710 5.913 . 0 0 "[ . 1 . 2]" 1
632 1 46 LEU HB3 1 48 LYS H 5.600 . 5.600 4.198 3.584 5.078 . 0 0 "[ . 1 . 2]" 1
633 1 46 LEU HB3 1 48 LYS QG 4.850 . 4.850 2.808 2.139 4.613 . 0 0 "[ . 1 . 2]" 1
634 1 46 LEU MD1 1 48 LYS H 5.650 . 5.650 4.927 4.394 5.649 . 0 0 "[ . 1 . 2]" 1
635 1 46 LEU MD1 1 48 LYS QG 5.150 . 5.150 3.523 2.943 4.633 . 0 0 "[ . 1 . 2]" 1
636 1 46 LEU MD2 1 47 ASP H 5.730 . 5.730 4.722 4.630 4.828 . 0 0 "[ . 1 . 2]" 1
637 1 47 ASP H 1 48 LYS H 4.140 . 4.140 2.743 2.574 3.008 . 0 0 "[ . 1 . 2]" 1
638 1 48 LYS H 1 48 LYS HB2 4.150 . 4.150 2.603 2.407 2.769 . 0 0 "[ . 1 . 2]" 1
639 1 48 LYS H 1 53 VAL MG2 5.750 . 5.750 4.195 3.753 4.424 . 0 0 "[ . 1 . 2]" 1
640 1 48 LYS HA 1 48 LYS QE 5.860 . 5.860 4.084 1.864 4.448 . 0 0 "[ . 1 . 2]" 1
641 1 48 LYS HA 1 49 ASN QD 4.570 . 4.570 3.795 2.796 4.699 0.129 4 0 "[ . 1 . 2]" 1
642 1 48 LYS HB2 1 49 ASN H 4.460 . 4.460 3.253 2.876 4.306 . 0 0 "[ . 1 . 2]" 1
643 1 48 LYS HB2 1 52 GLN QB 6.080 . 6.080 3.790 3.086 4.506 . 0 0 "[ . 1 . 2]" 1
644 1 48 LYS HB2 1 53 VAL MG2 4.830 . 4.830 2.534 2.254 3.210 . 0 0 "[ . 1 . 2]" 1
645 1 48 LYS HB3 1 48 LYS QE 5.130 . 5.130 3.923 2.119 4.313 . 0 0 "[ . 1 . 2]" 1
646 1 48 LYS HB3 1 49 ASN H 3.930 . 3.930 2.209 1.861 3.639 . 0 0 "[ . 1 . 2]" 1
647 1 48 LYS HB3 1 52 GLN QB 5.260 . 5.260 2.678 1.972 3.413 . 0 0 "[ . 1 . 2]" 1
648 1 48 LYS HB3 1 52 GLN QG 4.820 . 4.820 3.935 2.617 4.823 0.003 20 0 "[ . 1 . 2]" 1
649 1 48 LYS HB3 1 53 VAL MG2 4.540 . 4.540 3.174 2.646 4.056 . 0 0 "[ . 1 . 2]" 1
650 1 48 LYS QD 1 52 GLN QB 5.460 . 5.460 3.907 2.882 5.062 . 0 0 "[ . 1 . 2]" 1
651 1 48 LYS QD 1 52 GLN QG 6.220 . 6.220 4.589 2.551 6.248 0.028 7 0 "[ . 1 . 2]" 1
652 1 49 ASN H 1 50 PRO QD 5.680 . 5.680 4.510 4.461 4.549 . 0 0 "[ . 1 . 2]" 1
653 1 49 ASN H 1 52 GLN H 5.940 . 5.940 4.151 3.695 4.888 . 0 0 "[ . 1 . 2]" 1
654 1 49 ASN H 1 52 GLN HB2 5.330 . 5.330 2.820 2.245 4.128 . 0 0 "[ . 1 . 2]" 1
655 1 49 ASN H 1 52 GLN QB 4.470 . 4.470 2.772 2.224 3.973 . 0 0 "[ . 1 . 2]" 1
656 1 49 ASN H 1 52 GLN HB3 5.330 . 5.330 4.129 3.613 5.168 . 0 0 "[ . 1 . 2]" 1
657 1 49 ASN H 1 52 GLN QE 5.630 . 5.630 4.430 2.959 5.708 0.078 13 0 "[ . 1 . 2]" 1
658 1 49 ASN H 1 52 GLN QG 5.570 . 5.570 3.250 2.156 4.334 . 0 0 "[ . 1 . 2]" 1
659 1 49 ASN H 1 53 VAL MG2 5.460 . 5.460 3.831 3.048 4.779 . 0 0 "[ . 1 . 2]" 1
660 1 49 ASN HA 1 50 PRO QD 3.590 . 3.590 2.101 1.987 2.296 . 0 0 "[ . 1 . 2]" 1
661 1 49 ASN HA 1 50 PRO QG 5.430 . 5.430 3.995 3.832 4.191 . 0 0 "[ . 1 . 2]" 1
662 1 49 ASN HA 1 52 GLN H 5.910 . 5.910 4.822 4.502 5.052 . 0 0 "[ . 1 . 2]" 1
663 1 49 ASN QB 1 50 PRO QD 3.990 . 3.990 2.467 2.113 2.972 . 0 0 "[ . 1 . 2]" 1
664 1 49 ASN QB 1 50 PRO QG 5.900 . 5.900 4.210 3.547 4.749 . 0 0 "[ . 1 . 2]" 1
665 1 49 ASN QB 1 52 GLN H 5.180 . 5.180 2.860 2.313 3.467 . 0 0 "[ . 1 . 2]" 1
666 1 49 ASN HB2 1 50 PRO QD 4.580 . 4.580 3.807 3.625 4.002 . 0 0 "[ . 1 . 2]" 1
667 1 49 ASN HB3 1 50 PRO QD 4.580 . 4.580 2.501 2.127 3.064 . 0 0 "[ . 1 . 2]" 1
668 1 49 ASN QD 1 50 PRO QD 5.670 . 5.670 4.320 3.195 4.913 . 0 0 "[ . 1 . 2]" 1
669 1 49 ASN QD 1 52 GLN QG 5.110 . 5.110 3.693 2.191 5.160 0.050 5 0 "[ . 1 . 2]" 1
670 1 50 PRO HA 1 52 GLN H 5.190 . 5.190 4.523 4.294 4.745 . 0 0 "[ . 1 . 2]" 1
671 1 50 PRO HA 1 53 VAL H 5.720 . 5.720 3.570 3.330 3.814 . 0 0 "[ . 1 . 2]" 1
672 1 50 PRO HA 1 53 VAL HA 6.090 . 6.090 5.498 5.230 5.874 . 0 0 "[ . 1 . 2]" 1
673 1 50 PRO HA 1 53 VAL HB 4.910 . 4.910 2.766 2.497 3.177 . 0 0 "[ . 1 . 2]" 1
674 1 50 PRO HA 1 53 VAL MG1 5.810 . 5.810 4.066 3.792 4.478 . 0 0 "[ . 1 . 2]" 1
675 1 50 PRO HA 1 53 VAL MG2 4.650 . 4.650 2.990 2.664 3.425 . 0 0 "[ . 1 . 2]" 1
676 1 50 PRO HA 1 54 SER H 5.540 . 5.540 4.135 3.805 4.368 . 0 0 "[ . 1 . 2]" 1
677 1 50 PRO QB 1 51 ASN QB 5.750 . 5.750 4.545 3.734 5.163 . 0 0 "[ . 1 . 2]" 1
678 1 50 PRO QB 1 53 VAL H 5.110 . 5.110 5.026 4.853 5.185 0.075 10 0 "[ . 1 . 2]" 1
679 1 50 PRO HB2 1 53 VAL H 5.840 . 5.840 5.595 5.344 5.800 . 0 0 "[ . 1 . 2]" 1
680 1 50 PRO HB3 1 53 VAL H 5.840 . 5.840 5.692 5.514 5.840 0.000 10 0 "[ . 1 . 2]" 1
681 1 50 PRO QG 1 51 ASN H 5.250 . 5.250 3.497 2.351 4.088 . 0 0 "[ . 1 . 2]" 1
682 1 50 PRO HG2 1 51 ASN H 6.030 . 6.030 3.712 2.368 4.440 . 0 0 "[ . 1 . 2]" 1
683 1 50 PRO HG3 1 51 ASN H 6.030 . 6.030 4.488 3.951 4.783 . 0 0 "[ . 1 . 2]" 1
684 1 51 ASN H 1 52 GLN H 4.020 . 4.020 2.691 2.574 2.852 . 0 0 "[ . 1 . 2]" 1
685 1 51 ASN H 1 53 VAL H 5.930 . 5.930 4.158 3.939 4.357 . 0 0 "[ . 1 . 2]" 1
686 1 51 ASN HA 1 53 VAL HB 5.620 . 5.620 5.333 5.021 5.643 0.023 15 0 "[ . 1 . 2]" 1
687 1 51 ASN HA 1 54 SER H 4.940 . 4.940 3.586 3.347 4.038 . 0 0 "[ . 1 . 2]" 1
688 1 51 ASN HA 1 54 SER QB 4.370 . 4.370 2.986 2.375 3.940 . 0 0 "[ . 1 . 2]" 1
689 1 51 ASN QB 1 52 GLN H 4.560 . 4.560 2.555 2.342 2.739 . 0 0 "[ . 1 . 2]" 1
690 1 51 ASN QB 1 54 SER QB 5.810 . 5.810 4.629 3.976 5.627 . 0 0 "[ . 1 . 2]" 1
691 1 52 GLN H 1 52 GLN HB2 4.380 . 4.380 2.536 2.310 2.775 . 0 0 "[ . 1 . 2]" 1
692 1 52 GLN H 1 52 GLN QB 3.720 . 3.720 2.486 2.283 2.692 . 0 0 "[ . 1 . 2]" 1
693 1 52 GLN H 1 52 GLN HB3 4.380 . 4.380 3.615 3.571 3.648 . 0 0 "[ . 1 . 2]" 1
694 1 52 GLN H 1 52 GLN QG 3.750 . 3.750 2.331 1.809 3.500 . 0 0 "[ . 1 . 2]" 1
695 1 52 GLN H 1 53 VAL H 3.700 . 3.700 2.680 2.534 2.894 . 0 0 "[ . 1 . 2]" 1
696 1 52 GLN H 1 53 VAL MG2 5.680 . 5.680 4.104 3.851 4.339 . 0 0 "[ . 1 . 2]" 1
697 1 52 GLN HA 1 52 GLN QG 3.940 . 3.940 2.739 2.395 3.227 . 0 0 "[ . 1 . 2]" 1
698 1 52 GLN HA 1 54 SER H 5.250 . 5.250 4.582 4.192 4.836 . 0 0 "[ . 1 . 2]" 1
699 1 52 GLN HA 1 55 GLU HB2 5.230 . 5.230 3.269 2.410 5.128 . 0 0 "[ . 1 . 2]" 1
700 1 52 GLN HA 1 55 GLU HB3 5.230 . 5.230 4.515 3.538 5.333 0.103 19 0 "[ . 1 . 2]" 1
701 1 52 GLN QB 1 53 VAL H 4.270 . 4.270 2.596 2.307 2.839 . 0 0 "[ . 1 . 2]" 1
702 1 52 GLN QB 1 53 VAL MG2 5.970 . 5.970 3.144 2.838 3.542 . 0 0 "[ . 1 . 2]" 1
703 1 52 GLN QB 1 56 ARG HB2 6.030 . 6.030 4.851 4.186 5.680 . 0 0 "[ . 1 . 2]" 1
704 1 52 GLN QG 1 53 VAL MG2 6.220 . 6.220 4.725 4.023 5.287 . 0 0 "[ . 1 . 2]" 1
705 1 53 VAL H 1 53 VAL HB 3.900 . 3.900 2.521 2.466 2.604 . 0 0 "[ . 1 . 2]" 1
706 1 53 VAL H 1 53 VAL MG2 3.760 . 3.760 2.155 2.034 2.284 . 0 0 "[ . 1 . 2]" 1
707 1 53 VAL H 1 54 SER H 3.980 . 3.980 2.681 2.521 2.854 . 0 0 "[ . 1 . 2]" 1
708 1 53 VAL HA 1 54 SER HA 6.290 . 6.290 4.883 4.854 4.926 . 0 0 "[ . 1 . 2]" 1
709 1 53 VAL HA 1 56 ARG H 4.990 . 4.990 3.663 3.309 4.135 . 0 0 "[ . 1 . 2]" 1
710 1 53 VAL HA 1 56 ARG HB2 6.010 . 6.010 3.411 2.813 4.125 . 0 0 "[ . 1 . 2]" 1
711 1 53 VAL HA 1 56 ARG HB3 5.240 . 5.240 3.532 2.508 4.956 . 0 0 "[ . 1 . 2]" 1
712 1 53 VAL HA 1 57 PHE H 5.460 . 5.460 4.151 3.964 4.345 . 0 0 "[ . 1 . 2]" 1
713 1 53 VAL HB 1 54 SER H 4.140 . 4.140 2.594 2.483 2.710 . 0 0 "[ . 1 . 2]" 1
714 1 53 VAL HB 1 54 SER QB 5.910 . 5.910 4.132 3.889 4.642 . 0 0 "[ . 1 . 2]" 1
715 1 53 VAL MG1 1 54 SER H 4.570 . 4.570 3.408 3.232 3.587 . 0 0 "[ . 1 . 2]" 1
716 1 53 VAL MG1 1 54 SER HA 6.000 . 6.000 3.459 3.135 3.702 . 0 0 "[ . 1 . 2]" 1
717 1 53 VAL MG1 1 57 PHE H 5.550 . 5.550 4.091 3.903 4.272 . 0 0 "[ . 1 . 2]" 1
718 1 53 VAL MG1 1 57 PHE HB2 5.740 . 5.740 3.563 2.865 4.170 . 0 0 "[ . 1 . 2]" 1
719 1 53 VAL MG2 1 54 SER H 5.290 . 5.290 3.876 3.797 3.945 . 0 0 "[ . 1 . 2]" 1
720 1 54 SER H 1 54 SER HB2 4.140 . 4.140 2.884 2.455 3.650 . 0 0 "[ . 1 . 2]" 1
721 1 54 SER H 1 54 SER QB 3.630 . 3.630 2.369 2.250 2.565 . 0 0 "[ . 1 . 2]" 1
722 1 54 SER H 1 54 SER HB3 4.140 . 4.140 2.624 2.489 3.610 . 0 0 "[ . 1 . 2]" 1
723 1 54 SER HA 1 55 GLU QG 5.810 . 5.810 5.425 5.173 6.246 0.436 12 0 "[ . 1 . 2]" 1
724 1 54 SER HA 1 57 PHE H 5.170 . 5.170 3.670 3.347 3.917 . 0 0 "[ . 1 . 2]" 1
725 1 54 SER HA 1 57 PHE HB3 4.710 . 4.710 2.736 2.171 3.234 . 0 0 "[ . 1 . 2]" 1
726 1 54 SER QB 1 55 GLU H 4.210 . 4.210 2.820 2.468 3.408 . 0 0 "[ . 1 . 2]" 1
727 1 55 GLU H 1 55 GLU HB2 4.390 . 4.390 2.581 2.104 3.658 . 0 0 "[ . 1 . 2]" 1
728 1 55 GLU H 1 55 GLU QB 3.580 . 3.580 2.437 2.071 2.625 . 0 0 "[ . 1 . 2]" 1
729 1 55 GLU H 1 55 GLU HB3 4.390 . 4.390 3.479 2.609 3.644 . 0 0 "[ . 1 . 2]" 1
730 1 55 GLU H 1 55 GLU HG2 4.730 . 4.730 2.985 2.084 3.897 . 0 0 "[ . 1 . 2]" 1
731 1 55 GLU H 1 55 GLU HG3 4.730 . 4.730 3.100 2.137 4.468 . 0 0 "[ . 1 . 2]" 1
732 1 55 GLU HA 1 58 GLN H 4.790 . 4.790 3.727 3.357 3.990 . 0 0 "[ . 1 . 2]" 1
733 1 55 GLU HA 1 58 GLN QB 5.300 . 5.300 3.252 2.811 3.768 . 0 0 "[ . 1 . 2]" 1
734 1 55 GLU HA 1 58 GLN QG 5.610 . 5.610 3.746 3.025 4.249 . 0 0 "[ . 1 . 2]" 1
735 1 55 GLU HA 1 59 GLN QG 5.600 . 5.600 4.335 3.650 5.819 0.219 17 0 "[ . 1 . 2]" 1
736 1 55 GLU QB 1 59 GLN QG 5.680 . 5.680 3.740 3.188 4.929 . 0 0 "[ . 1 . 2]" 1
737 1 55 GLU HB2 1 56 ARG H 4.660 . 4.660 2.765 2.270 3.816 . 0 0 "[ . 1 . 2]" 1
738 1 55 GLU HB3 1 56 ARG H 4.660 . 4.660 3.519 2.615 4.078 . 0 0 "[ . 1 . 2]" 1
739 1 55 GLU HG2 1 56 ARG H 6.120 . 6.120 4.568 2.515 5.183 . 0 0 "[ . 1 . 2]" 1
740 1 55 GLU HG3 1 56 ARG H 6.120 . 6.120 4.435 2.274 5.379 . 0 0 "[ . 1 . 2]" 1
741 1 56 ARG H 1 56 ARG HB2 4.330 . 4.330 2.461 2.222 2.762 . 0 0 "[ . 1 . 2]" 1
742 1 56 ARG H 1 56 ARG HB3 4.250 . 4.250 2.999 2.467 3.693 . 0 0 "[ . 1 . 2]" 1
743 1 56 ARG H 1 57 PHE H 4.160 . 4.160 2.684 2.587 2.812 . 0 0 "[ . 1 . 2]" 1
744 1 56 ARG H 1 59 GLN QB 5.150 . 5.150 4.891 4.211 5.213 0.063 2 0 "[ . 1 . 2]" 1
745 1 56 ARG HA 1 56 ARG HD2 4.670 . 4.670 2.644 1.907 4.192 . 0 0 "[ . 1 . 2]" 1
746 1 56 ARG HA 1 56 ARG QD 3.930 . 3.930 2.233 1.872 3.240 . 0 0 "[ . 1 . 2]" 1
747 1 56 ARG HA 1 56 ARG HD3 4.670 . 4.670 3.012 1.881 4.115 . 0 0 "[ . 1 . 2]" 1
748 1 56 ARG HA 1 58 GLN H 5.730 . 5.730 4.443 4.085 4.746 . 0 0 "[ . 1 . 2]" 1
749 1 56 ARG HA 1 59 GLN HB2 4.980 . 4.980 2.521 2.044 3.050 . 0 0 "[ . 1 . 2]" 1
750 1 56 ARG HA 1 59 GLN QB 4.280 . 4.280 2.443 1.955 2.767 . 0 0 "[ . 1 . 2]" 1
751 1 56 ARG HA 1 59 GLN HB3 4.980 . 4.980 3.863 2.019 4.306 . 0 0 "[ . 1 . 2]" 1
752 1 56 ARG HA 1 60 LEU H 6.130 . 6.130 4.040 3.746 4.320 . 0 0 "[ . 1 . 2]" 1
753 1 56 ARG HA 1 60 LEU MD1 5.600 . 5.600 4.615 4.182 4.980 . 0 0 "[ . 1 . 2]" 1
754 1 56 ARG HB2 1 57 PHE H 6.250 . 6.250 3.527 2.642 3.947 . 0 0 "[ . 1 . 2]" 1
755 1 56 ARG HB2 1 57 PHE HB3 6.270 . 6.270 5.852 4.859 6.357 0.087 11 0 "[ . 1 . 2]" 1
756 1 56 ARG HB3 1 57 PHE H 4.660 . 4.660 3.079 2.557 3.880 . 0 0 "[ . 1 . 2]" 1
757 1 56 ARG HB3 1 57 PHE HA 6.180 . 6.180 4.459 4.136 4.860 . 0 0 "[ . 1 . 2]" 1
758 1 56 ARG QD 1 59 GLN QB 5.320 . 5.320 3.143 2.063 4.629 . 0 0 "[ . 1 . 2]" 1
759 1 57 PHE H 1 57 PHE HB2 4.110 . 4.110 2.675 2.319 2.869 . 0 0 "[ . 1 . 2]" 1
760 1 57 PHE H 1 57 PHE HB3 4.090 . 4.090 2.375 2.218 2.702 . 0 0 "[ . 1 . 2]" 1
761 1 57 PHE H 1 57 PHE HD1 5.380 . 5.380 4.821 4.631 4.983 . 0 0 "[ . 1 . 2]" 1
762 1 57 PHE H 1 58 GLN H 4.350 . 4.350 2.840 2.562 2.966 . 0 0 "[ . 1 . 2]" 1
763 1 57 PHE H 1 58 GLN QB 5.960 . 5.960 4.913 4.500 5.106 . 0 0 "[ . 1 . 2]" 1
764 1 57 PHE H 1 60 LEU MD1 5.480 . 5.480 3.955 3.599 4.916 . 0 0 "[ . 1 . 2]" 1
765 1 57 PHE HA 1 57 PHE HD1 4.340 . 4.340 2.575 2.187 2.879 . 0 0 "[ . 1 . 2]" 1
766 1 57 PHE HA 1 57 PHE HE1 6.300 . 6.300 4.893 4.642 5.178 . 0 0 "[ . 1 . 2]" 1
767 1 57 PHE HA 1 60 LEU HB2 5.570 . 5.570 2.777 2.527 3.134 . 0 0 "[ . 1 . 2]" 1
768 1 57 PHE HA 1 60 LEU HB3 5.030 . 5.030 4.204 3.234 4.687 . 0 0 "[ . 1 . 2]" 1
769 1 57 PHE HA 1 60 LEU MD1 4.760 . 4.760 2.185 1.797 3.271 . 0 0 "[ . 1 . 2]" 1
770 1 57 PHE HB2 1 58 GLN H 5.200 . 5.200 3.901 3.650 4.085 . 0 0 "[ . 1 . 2]" 1
771 1 57 PHE HB2 1 58 GLN HA 6.170 . 6.170 5.626 5.558 5.709 . 0 0 "[ . 1 . 2]" 1
772 1 57 PHE HB3 1 58 GLN H 4.650 . 4.650 2.547 2.402 2.804 . 0 0 "[ . 1 . 2]" 1
773 1 57 PHE HD1 1 58 GLN H 5.310 . 5.310 4.962 4.366 5.151 . 0 0 "[ . 1 . 2]" 1
774 1 57 PHE HD1 1 58 GLN HA 6.010 . 6.010 5.216 4.312 5.543 . 0 0 "[ . 1 . 2]" 1
775 1 57 PHE HD1 1 58 GLN HG2 5.810 . 5.810 6.002 5.852 6.110 0.300 10 0 "[ . 1 . 2]" 1
776 1 57 PHE HD1 1 58 GLN HG3 5.810 . 5.810 5.809 5.369 5.920 0.110 14 0 "[ . 1 . 2]" 1
777 1 57 PHE HE1 1 61 MET QB 5.720 . 5.720 5.487 4.900 5.787 0.067 16 0 "[ . 1 . 2]" 1
778 1 57 PHE HE1 1 61 MET ME 5.210 . 5.210 3.151 1.880 4.422 . 0 0 "[ . 1 . 2]" 1
779 1 58 GLN H 1 58 GLN QB 3.710 . 3.710 2.478 2.402 2.534 . 0 0 "[ . 1 . 2]" 1
780 1 58 GLN H 1 58 GLN HG2 4.790 . 4.790 3.327 3.164 3.593 . 0 0 "[ . 1 . 2]" 1
781 1 58 GLN H 1 58 GLN QG 4.190 . 4.190 2.144 1.969 2.298 . 0 0 "[ . 1 . 2]" 1
782 1 58 GLN H 1 58 GLN HG3 4.790 . 4.790 2.171 1.986 2.325 . 0 0 "[ . 1 . 2]" 1
783 1 58 GLN H 1 59 GLN H 4.240 . 4.240 2.567 2.498 2.662 . 0 0 "[ . 1 . 2]" 1
784 1 58 GLN H 1 59 GLN HA 5.870 . 5.870 5.246 5.181 5.309 . 0 0 "[ . 1 . 2]" 1
785 1 58 GLN H 1 59 GLN QB 5.390 . 5.390 4.565 4.115 4.813 . 0 0 "[ . 1 . 2]" 1
786 1 58 GLN H 1 61 MET H 6.070 . 6.070 4.828 4.657 5.116 . 0 0 "[ . 1 . 2]" 1
787 1 58 GLN H 1 61 MET QG 5.670 . 5.670 4.695 4.256 5.300 . 0 0 "[ . 1 . 2]" 1
788 1 58 GLN HA 1 60 LEU H 6.210 . 6.210 4.328 4.029 4.657 . 0 0 "[ . 1 . 2]" 1
789 1 58 GLN HA 1 61 MET H 5.430 . 5.430 3.309 3.029 3.758 . 0 0 "[ . 1 . 2]" 1
790 1 58 GLN HA 1 61 MET QB 4.750 . 4.750 2.745 2.324 3.563 . 0 0 "[ . 1 . 2]" 1
791 1 58 GLN HA 1 61 MET ME 6.050 . 6.050 4.958 4.148 5.977 . 0 0 "[ . 1 . 2]" 1
792 1 58 GLN HA 1 61 MET QG 5.660 . 5.660 2.879 2.174 3.539 . 0 0 "[ . 1 . 2]" 1
793 1 58 GLN QB 1 59 GLN H 4.640 . 4.640 2.919 2.761 2.993 . 0 0 "[ . 1 . 2]" 1
794 1 58 GLN QB 1 59 GLN QG 5.890 . 5.890 3.923 3.437 5.323 . 0 0 "[ . 1 . 2]" 1
795 1 58 GLN QB 1 61 MET H 5.660 . 5.660 4.931 4.676 5.196 . 0 0 "[ . 1 . 2]" 1
796 1 59 GLN H 1 59 GLN QB 3.710 . 3.710 2.410 2.177 2.541 . 0 0 "[ . 1 . 2]" 1
797 1 59 GLN H 1 59 GLN HG2 5.070 . 5.070 3.083 2.264 4.415 . 0 0 "[ . 1 . 2]" 1
798 1 59 GLN H 1 59 GLN QG 4.360 . 4.360 2.634 2.244 3.976 . 0 0 "[ . 1 . 2]" 1
799 1 59 GLN H 1 59 GLN HG3 5.070 . 5.070 3.473 2.329 4.585 . 0 0 "[ . 1 . 2]" 1
800 1 59 GLN H 1 60 LEU H 4.370 . 4.370 2.548 2.456 2.677 . 0 0 "[ . 1 . 2]" 1
801 1 59 GLN H 1 60 LEU HB3 5.830 . 5.830 5.901 5.420 5.980 0.150 19 0 "[ . 1 . 2]" 1
802 1 59 GLN HA 1 61 MET H 5.190 . 5.190 4.545 4.196 4.879 . 0 0 "[ . 1 . 2]" 1
803 1 59 GLN HA 1 62 LYS H 5.050 . 5.050 3.481 3.058 3.871 . 0 0 "[ . 1 . 2]" 1
804 1 59 GLN HA 1 62 LYS QB 4.990 . 4.990 2.666 2.201 3.356 . 0 0 "[ . 1 . 2]" 1
805 1 59 GLN HA 1 62 LYS QD 5.370 . 5.370 3.673 2.046 5.389 0.019 6 0 "[ . 1 . 2]" 1
806 1 59 GLN QB 1 60 LEU H 4.260 . 4.260 2.588 2.295 3.002 . 0 0 "[ . 1 . 2]" 1
807 1 59 GLN QB 1 60 LEU HG 5.120 . 5.120 3.755 3.373 5.029 . 0 0 "[ . 1 . 2]" 1
808 1 59 GLN QB 1 61 MET H 5.850 . 5.850 4.861 4.722 5.104 . 0 0 "[ . 1 . 2]" 1
809 1 59 GLN HB2 1 60 LEU H 4.850 . 4.850 2.761 2.337 3.753 . 0 0 "[ . 1 . 2]" 1
810 1 59 GLN HB3 1 60 LEU H 4.850 . 4.850 3.520 2.614 3.841 . 0 0 "[ . 1 . 2]" 1
811 1 60 LEU H 1 60 LEU HB3 4.250 . 4.250 3.517 3.025 3.577 . 0 0 "[ . 1 . 2]" 1
812 1 60 LEU H 1 60 LEU MD1 5.130 . 5.130 3.496 3.309 4.078 . 0 0 "[ . 1 . 2]" 1
813 1 60 LEU H 1 60 LEU MD2 4.700 . 4.700 3.876 3.596 4.413 . 0 0 "[ . 1 . 2]" 1
814 1 60 LEU H 1 60 LEU HG 4.200 . 4.200 2.719 2.353 4.052 . 0 0 "[ . 1 . 2]" 1
815 1 60 LEU H 1 61 MET H 4.440 . 4.440 2.803 2.524 3.008 . 0 0 "[ . 1 . 2]" 1
816 1 60 LEU H 1 61 MET QB 6.300 . 6.300 4.784 4.532 4.991 . 0 0 "[ . 1 . 2]" 1
817 1 60 LEU HA 1 60 LEU MD2 3.890 . 3.890 2.190 2.082 2.602 . 0 0 "[ . 1 . 2]" 1
818 1 60 LEU HA 1 62 LYS QB 6.130 . 6.130 5.040 4.435 5.612 . 0 0 "[ . 1 . 2]" 1
819 1 60 LEU HA 1 63 LEU H 5.050 . 5.050 3.466 3.209 3.878 . 0 0 "[ . 1 . 2]" 1
820 1 60 LEU HA 1 63 LEU HB2 5.280 . 5.280 2.920 2.314 3.430 . 0 0 "[ . 1 . 2]" 1
821 1 60 LEU HA 1 63 LEU HB3 5.860 . 5.860 4.469 3.896 5.100 . 0 0 "[ . 1 . 2]" 1
822 1 60 LEU HA 1 63 LEU MD1 5.070 . 5.070 2.551 2.060 3.910 . 0 0 "[ . 1 . 2]" 1
823 1 60 LEU HA 1 63 LEU HG 6.110 . 6.110 3.235 2.135 4.489 . 0 0 "[ . 1 . 2]" 1
824 1 60 LEU HB2 1 61 MET H 5.320 . 5.320 2.658 2.381 3.496 . 0 0 "[ . 1 . 2]" 1
825 1 60 LEU HB2 1 61 MET ME 5.680 . 5.680 3.919 2.855 6.027 0.347 14 0 "[ . 1 . 2]" 1
826 1 60 LEU HB2 1 61 MET QG 5.600 . 5.600 3.596 3.221 4.497 . 0 0 "[ . 1 . 2]" 1
827 1 60 LEU HB3 1 61 MET H 4.560 . 4.560 3.284 2.784 3.607 . 0 0 "[ . 1 . 2]" 1
828 1 60 LEU MD1 1 61 MET QG 5.120 . 5.120 4.779 4.357 5.075 . 0 0 "[ . 1 . 2]" 1
829 1 61 MET H 1 61 MET QG 4.260 . 4.260 2.254 2.038 2.444 . 0 0 "[ . 1 . 2]" 1
830 1 61 MET H 1 62 LYS H 4.380 . 4.380 2.717 2.542 2.860 . 0 0 "[ . 1 . 2]" 1
831 1 61 MET H 1 63 LEU H 5.230 . 5.230 4.181 4.008 4.435 . 0 0 "[ . 1 . 2]" 1
832 1 61 MET HA 1 61 MET ME 5.190 . 5.190 2.450 1.742 4.451 . 0 0 "[ . 1 . 2]" 1
833 1 61 MET HA 1 63 LEU H 5.590 . 5.590 4.358 3.992 4.712 . 0 0 "[ . 1 . 2]" 1
834 1 61 MET HA 1 64 PHE H 5.350 . 5.350 3.535 3.028 4.098 . 0 0 "[ . 1 . 2]" 1
835 1 61 MET HA 1 64 PHE HB2 5.790 . 5.790 3.067 2.101 4.379 . 0 0 "[ . 1 . 2]" 1
836 1 61 MET HA 1 64 PHE QB 4.880 . 4.880 2.844 2.091 3.811 . 0 0 "[ . 1 . 2]" 1
837 1 61 MET HA 1 64 PHE HB3 5.790 . 5.790 4.111 2.411 5.386 . 0 0 "[ . 1 . 2]" 1
838 1 61 MET QB 1 61 MET ME 3.380 . 3.380 3.208 1.978 3.699 0.319 13 0 "[ . 1 . 2]" 1
839 1 61 MET QB 1 62 LYS H 4.680 . 4.680 2.699 2.372 3.042 . 0 0 "[ . 1 . 2]" 1
840 1 61 MET QB 1 62 LYS HA 5.930 . 5.930 4.057 3.867 4.233 . 0 0 "[ . 1 . 2]" 1
841 1 61 MET QB 1 64 PHE H 5.740 . 5.740 4.979 4.602 5.527 . 0 0 "[ . 1 . 2]" 1
842 1 61 MET ME 1 64 PHE QD 5.150 . 5.150 3.151 2.057 5.183 0.033 13 0 "[ . 1 . 2]" 1
843 1 62 LYS H 1 62 LYS QB 3.840 . 3.840 2.296 2.164 2.510 . 0 0 "[ . 1 . 2]" 1
844 1 62 LYS H 1 63 LEU HA 6.300 . 6.300 5.306 5.185 5.440 . 0 0 "[ . 1 . 2]" 1
845 1 62 LYS H 1 63 LEU HG 5.320 . 5.320 4.421 4.179 4.639 . 0 0 "[ . 1 . 2]" 1
846 1 62 LYS HA 1 62 LYS QD 4.990 . 4.990 3.546 1.911 4.343 . 0 0 "[ . 1 . 2]" 1
847 1 62 LYS HA 1 65 GLU QB 4.510 . 4.510 2.766 2.070 3.532 . 0 0 "[ . 1 . 2]" 1
848 1 62 LYS QB 1 63 LEU H 4.440 . 4.440 2.751 2.512 3.033 . 0 0 "[ . 1 . 2]" 1
849 1 62 LYS QB 1 63 LEU HA 6.280 . 6.280 4.192 3.995 4.409 . 0 0 "[ . 1 . 2]" 1
850 1 63 LEU H 1 63 LEU HB2 3.840 . 3.840 2.515 2.449 2.658 . 0 0 "[ . 1 . 2]" 1
851 1 63 LEU H 1 63 LEU MD1 5.030 . 5.030 3.728 3.602 3.863 . 0 0 "[ . 1 . 2]" 1
852 1 63 LEU H 1 63 LEU MD2 5.660 . 5.660 3.348 2.964 3.530 . 0 0 "[ . 1 . 2]" 1
853 1 63 LEU H 1 63 LEU HG 4.760 . 4.760 2.393 2.229 2.557 . 0 0 "[ . 1 . 2]" 1
854 1 63 LEU H 1 64 PHE H 3.840 . 3.840 2.628 2.520 2.841 . 0 0 "[ . 1 . 2]" 1
855 1 63 LEU HA 1 63 LEU MD2 3.990 . 3.990 2.090 2.028 2.197 . 0 0 "[ . 1 . 2]" 1
856 1 63 LEU HA 1 66 LYS H 5.040 . 5.040 3.513 3.025 4.315 . 0 0 "[ . 1 . 2]" 1
857 1 63 LEU HB2 1 64 PHE H 5.250 . 5.250 2.710 2.413 2.927 . 0 0 "[ . 1 . 2]" 1
858 1 63 LEU HB2 1 64 PHE QB 6.050 . 6.050 4.572 3.848 5.067 . 0 0 "[ . 1 . 2]" 1
859 1 63 LEU HB2 1 64 PHE QD 5.500 . 5.500 4.485 2.747 5.630 0.130 13 0 "[ . 1 . 2]" 1
860 1 63 LEU HB3 1 64 PHE H 5.390 . 5.390 3.723 3.431 3.885 . 0 0 "[ . 1 . 2]" 1
861 1 64 PHE H 1 64 PHE QD 5.330 . 5.330 3.251 2.126 4.219 . 0 0 "[ . 1 . 2]" 1
862 1 64 PHE H 1 65 GLU QB 6.300 . 6.300 4.521 4.199 4.926 . 0 0 "[ . 1 . 2]" 1
863 1 64 PHE QB 1 65 GLU H 4.630 . 4.630 2.808 2.371 3.191 . 0 0 "[ . 1 . 2]" 1
864 1 64 PHE HB2 1 65 GLU H 5.270 . 5.270 3.177 2.429 4.077 . 0 0 "[ . 1 . 2]" 1
865 1 64 PHE HB2 1 65 GLU QB 6.170 . 6.170 4.929 4.198 6.020 . 0 0 "[ . 1 . 2]" 1
866 1 64 PHE HB3 1 65 GLU H 5.270 . 5.270 3.538 2.574 3.997 . 0 0 "[ . 1 . 2]" 1
867 1 64 PHE HB3 1 65 GLU QB 6.170 . 6.170 5.139 4.032 5.700 . 0 0 "[ . 1 . 2]" 1
868 1 64 PHE QD 1 65 GLU H 5.200 . 5.200 4.402 3.843 4.858 . 0 0 "[ . 1 . 2]" 1
869 1 65 GLU H 1 65 GLU HG2 5.690 . 5.690 4.018 3.367 4.654 . 0 0 "[ . 1 . 2]" 1
870 1 65 GLU H 1 65 GLU QG 4.910 . 4.910 3.149 2.142 4.090 . 0 0 "[ . 1 . 2]" 1
871 1 65 GLU H 1 65 GLU HG3 5.690 . 5.690 3.417 2.167 4.641 . 0 0 "[ . 1 . 2]" 1
872 1 65 GLU QB 1 66 LYS H 5.440 . 5.440 2.414 2.052 2.888 . 0 0 "[ . 1 . 2]" 1
873 1 65 GLU QG 1 66 LYS H 5.920 . 5.920 3.831 3.071 4.227 . 0 0 "[ . 1 . 2]" 1
874 1 66 LYS HA 1 67 SER QB 6.270 . 6.270 4.681 4.206 5.507 . 0 0 "[ . 1 . 2]" 1
875 1 68 LYS QB 1 70 ARG H 5.130 . 5.130 4.222 3.005 5.276 0.146 18 0 "[ . 1 . 2]" 1
876 1 69 CYS H 1 70 ARG H 4.950 . 4.950 3.346 2.195 4.525 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 5:18:00 PM GMT (wattos1)