NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573858 |
2mlf   |
19817 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mlf
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 857
_Distance_constraint_stats_list.Viol_count 493
_Distance_constraint_stats_list.Viol_total 713.748
_Distance_constraint_stats_list.Viol_max 0.523
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_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 2 GLY 0.320 0.168 14 0 "[ . 1 . 2]"
1 3 LYS 1.319 0.186 19 0 "[ . 1 . 2]"
1 4 SER 1.108 0.186 19 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.227 0.118 17 0 "[ . 1 . 2]"
1 8 LEU 0.992 0.151 11 0 "[ . 1 . 2]"
1 9 SER 0.161 0.070 18 0 "[ . 1 . 2]"
1 10 ASP 0.144 0.090 19 0 "[ . 1 . 2]"
1 11 LEU 0.828 0.144 18 0 "[ . 1 . 2]"
1 12 PHE 0.036 0.036 5 0 "[ . 1 . 2]"
1 13 ARG 0.567 0.159 8 0 "[ . 1 . 2]"
1 14 MET 0.884 0.227 2 0 "[ . 1 . 2]"
1 15 PHE 0.992 0.102 9 0 "[ . 1 . 2]"
1 16 ASP 0.425 0.128 8 0 "[ . 1 . 2]"
1 17 LYS 0.752 0.139 11 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.749 0.128 8 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.086 0.086 12 0 "[ . 1 . 2]"
1 22 TYR 1.552 0.161 2 0 "[ . 1 . 2]"
1 23 ILE 0.691 0.065 16 0 "[ . 1 . 2]"
1 24 ASP 1.105 0.154 20 0 "[ . 1 . 2]"
1 25 LEU 0.762 0.230 19 0 "[ . 1 . 2]"
1 26 ASP 0.736 0.230 19 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 2.380 0.154 20 0 "[ . 1 . 2]"
1 29 LYS 0.483 0.210 3 0 "[ . 1 . 2]"
1 30 ILE 0.370 0.210 3 0 "[ . 1 . 2]"
1 31 MET 2.367 0.227 2 0 "[ . 1 . 2]"
1 32 LEU 1.950 0.241 15 0 "[ . 1 . 2]"
1 33 GLN 0.688 0.145 2 0 "[ . 1 . 2]"
1 34 ALA 2.020 0.523 3 3 "[ + .- 1 . * 2]"
1 35 THR 4.637 0.523 3 3 "[ + .- 1 . * 2]"
1 36 GLY 0.203 0.098 19 0 "[ . 1 . 2]"
1 37 GLU 0.518 0.226 7 0 "[ . 1 . 2]"
1 38 THR 0.017 0.017 14 0 "[ . 1 . 2]"
1 39 ILE 7.640 0.302 17 0 "[ . 1 . 2]"
1 40 THR 0.388 0.214 8 0 "[ . 1 . 2]"
1 41 GLU 0.369 0.093 7 0 "[ . 1 . 2]"
1 42 ASP 1.233 0.174 13 0 "[ . 1 . 2]"
1 43 ASP 1.662 0.222 17 0 "[ . 1 . 2]"
1 44 ILE 2.633 0.212 19 0 "[ . 1 . 2]"
1 45 GLU 0.185 0.185 19 0 "[ . 1 . 2]"
1 46 GLU 0.922 0.237 12 0 "[ . 1 . 2]"
1 47 LEU 2.216 0.179 14 0 "[ . 1 . 2]"
1 48 MET 2.174 0.179 14 0 "[ . 1 . 2]"
1 49 LYS 1.169 0.237 12 0 "[ . 1 . 2]"
1 50 ASP 0.519 0.091 4 0 "[ . 1 . 2]"
1 51 GLY 0.018 0.018 16 0 "[ . 1 . 2]"
1 52 ASP 0.564 0.125 16 0 "[ . 1 . 2]"
1 53 LYS 1.136 0.163 15 0 "[ . 1 . 2]"
1 54 ASN 0.644 0.172 11 0 "[ . 1 . 2]"
1 55 ASN 0.264 0.172 11 0 "[ . 1 . 2]"
1 56 ASP 0.075 0.059 12 0 "[ . 1 . 2]"
1 57 GLY 0.051 0.051 5 0 "[ . 1 . 2]"
1 58 ARG 1.136 0.161 2 0 "[ . 1 . 2]"
1 59 ILE 1.634 0.151 20 0 "[ . 1 . 2]"
1 60 ASP 0.191 0.105 12 0 "[ . 1 . 2]"
1 61 TYR 0.968 0.216 5 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 3.347 0.267 7 0 "[ . 1 . 2]"
1 64 PHE 5.110 0.267 7 0 "[ . 1 . 2]"
1 65 LEU 0.694 0.216 5 0 "[ . 1 . 2]"
1 66 GLU 0.068 0.068 1 0 "[ . 1 . 2]"
1 67 PHE 1.776 0.234 1 0 "[ . 1 . 2]"
1 68 MET 1.132 0.151 11 0 "[ . 1 . 2]"
1 69 LYS 0.421 0.234 1 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.119 0.054 7 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 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 2 GLY H 1 3 LYS H 6.000 . 6.000 3.594 2.271 4.650 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY H 1 3 LYS QB 6.000 . 6.000 5.262 3.815 6.168 0.168 14 0 "[ . 1 . 2]" 1
3 1 3 LYS H 1 3 LYS HG2 5.280 . 5.280 3.813 1.943 5.116 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 3 LYS HG3 5.280 . 5.280 3.802 2.223 4.620 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 4 SER H 5.680 . 5.680 2.814 1.980 4.248 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS H 1 4 SER QB 4.710 . 4.710 4.539 4.064 4.896 0.186 19 0 "[ . 1 . 2]" 1
7 1 3 LYS HA 1 4 SER H 4.360 . 4.360 3.041 2.215 3.631 . 0 0 "[ . 1 . 2]" 1
8 1 3 LYS QB 1 4 SER H 5.230 . 5.230 3.448 2.051 4.118 . 0 0 "[ . 1 . 2]" 1
9 1 3 LYS HB2 1 4 SER H 6.000 . 6.000 4.055 2.113 4.704 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS HB3 1 4 SER H 6.000 . 6.000 3.879 2.472 4.722 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS QG 1 4 SER H 6.000 . 6.000 3.988 2.023 4.784 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER H 1 7 GLU H 6.000 . 6.000 4.155 3.168 5.261 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 7 GLU HB2 5.840 . 5.840 3.453 2.086 5.049 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER H 1 7 GLU QB 5.130 . 5.130 3.323 2.069 4.390 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER H 1 7 GLU HB3 5.840 . 5.840 4.602 3.176 5.939 0.099 8 0 "[ . 1 . 2]" 1
16 1 4 SER H 1 7 GLU QG 6.000 . 6.000 3.962 2.927 5.940 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER HA 1 5 GLU H 4.330 . 4.330 2.389 2.241 3.575 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER QB 1 5 GLU H 4.660 . 4.660 3.009 2.220 3.956 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER QB 1 6 GLU H 4.680 . 4.680 3.074 2.346 4.359 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER QB 1 7 GLU H 4.920 . 4.920 3.009 2.448 4.849 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 6 GLU H 4.830 . 4.830 2.780 2.552 3.065 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU HA 1 65 LEU MD2 4.920 . 4.920 3.479 2.515 4.804 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU QB 1 65 LEU MD1 5.530 . 5.530 3.951 2.424 5.215 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLU QB 1 65 LEU MD2 5.420 . 5.420 3.531 2.342 4.786 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU QG 1 65 LEU MD1 5.320 . 5.320 3.982 2.637 4.983 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU QG 1 65 LEU MD2 5.050 . 5.050 3.938 2.440 4.965 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLU H 1 6 GLU QB 3.740 . 3.740 2.365 2.116 2.505 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLU H 1 6 GLU QG 4.940 . 4.940 2.573 1.943 3.948 . 0 0 "[ . 1 . 2]" 1
29 1 6 GLU H 1 7 GLU H 4.630 . 4.630 2.762 2.618 3.017 . 0 0 "[ . 1 . 2]" 1
30 1 6 GLU HA 1 9 SER H 5.530 . 5.530 3.483 3.152 3.976 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLU QB 1 7 GLU H 4.460 . 4.460 2.753 2.283 3.622 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLU QG 1 9 SER H 6.000 . 6.000 5.306 4.828 5.891 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLU H 1 7 GLU HG2 5.740 . 5.740 3.611 3.234 4.504 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU H 1 7 GLU QG 5.100 . 5.100 2.538 1.951 3.919 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU H 1 7 GLU HG3 5.740 . 5.740 2.651 1.967 4.371 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU H 1 8 LEU H 4.560 . 4.560 2.645 2.517 2.865 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU H 1 8 LEU QD 5.840 . 5.840 4.455 3.162 4.869 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU H 1 8 LEU HG 5.500 . 5.500 4.240 3.921 5.618 0.118 17 0 "[ . 1 . 2]" 1
39 1 7 GLU H 1 9 SER H 6.000 . 6.000 4.104 3.838 4.380 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU QB 1 8 LEU H 4.550 . 4.550 2.511 2.250 2.966 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU QB 1 8 LEU QD 4.890 . 4.890 3.330 2.268 4.342 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU QG 1 8 LEU QD 5.940 . 5.940 4.754 3.628 5.495 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 8 LEU MD1 5.650 . 5.650 3.420 1.913 3.678 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 8 LEU QD 4.690 . 4.690 2.859 1.909 3.119 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU H 1 8 LEU MD2 5.650 . 5.650 3.203 2.675 3.890 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 8 LEU HG 4.850 . 4.850 2.135 1.954 3.374 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU H 1 9 SER H 4.970 . 4.970 2.672 2.525 2.774 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU H 1 10 ASP H 5.580 . 5.580 4.210 3.924 4.692 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU HA 1 8 LEU QD 4.190 . 4.190 2.112 1.819 2.899 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU HA 1 10 ASP QB 5.760 . 5.760 4.924 4.351 5.428 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU HB2 1 9 SER H 5.010 . 5.010 2.538 2.282 2.911 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HB2 1 65 LEU HA 6.000 . 6.000 4.395 2.717 5.182 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU HB2 1 65 LEU MD2 5.650 . 5.650 2.490 1.844 3.196 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU HB3 1 9 SER H 5.460 . 5.460 3.657 3.440 3.973 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU HB3 1 64 PHE QD 5.720 . 5.720 3.341 2.178 4.182 . 0 0 "[ . 1 . 2]" 1
56 1 8 LEU HB3 1 68 MET H 5.930 . 5.930 5.560 4.497 6.081 0.151 11 0 "[ . 1 . 2]" 1
57 1 8 LEU QD 1 9 SER H 5.450 . 5.450 4.003 3.732 4.221 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU QD 1 64 PHE QD 6.000 . 6.000 3.969 2.604 4.853 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU QD 1 65 LEU HA 5.200 . 5.200 2.484 1.798 3.714 0.002 19 0 "[ . 1 . 2]" 1
60 1 8 LEU QD 1 68 MET H 5.230 . 5.230 3.603 1.967 4.989 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU QD 1 68 MET QB 5.030 . 5.030 2.002 1.678 2.849 0.122 9 0 "[ . 1 . 2]" 1
62 1 8 LEU QD 1 68 MET QG 4.750 . 4.750 2.847 1.940 3.660 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU QD 1 69 LYS H 5.440 . 5.440 3.869 2.800 5.149 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU MD1 1 9 SER H 6.000 . 6.000 4.438 3.911 4.899 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD2 1 9 SER H 6.000 . 6.000 4.589 4.365 4.745 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU HG 1 9 SER H 5.850 . 5.850 4.215 3.827 4.935 . 0 0 "[ . 1 . 2]" 1
67 1 9 SER H 1 10 ASP H 4.850 . 4.850 2.772 2.655 2.917 . 0 0 "[ . 1 . 2]" 1
68 1 9 SER H 1 10 ASP QB 5.920 . 5.920 4.464 4.289 4.661 . 0 0 "[ . 1 . 2]" 1
69 1 9 SER H 1 11 LEU H 6.000 . 6.000 4.334 4.160 4.547 . 0 0 "[ . 1 . 2]" 1
70 1 9 SER H 1 11 LEU HB2 6.000 . 6.000 5.294 4.818 6.070 0.070 18 0 "[ . 1 . 2]" 1
71 1 9 SER H 1 61 TYR QE 5.900 . 5.900 3.642 2.591 5.156 . 0 0 "[ . 1 . 2]" 1
72 1 9 SER H 1 64 PHE QD 6.000 . 6.000 5.354 4.822 5.672 . 0 0 "[ . 1 . 2]" 1
73 1 9 SER HA 1 12 PHE H 5.670 . 5.670 3.361 2.834 3.712 . 0 0 "[ . 1 . 2]" 1
74 1 9 SER HA 1 12 PHE QB 5.390 . 5.390 2.460 2.087 2.908 . 0 0 "[ . 1 . 2]" 1
75 1 9 SER HA 1 61 TYR QE 4.080 . 4.080 2.137 1.751 3.127 0.049 11 0 "[ . 1 . 2]" 1
76 1 9 SER QB 1 10 ASP H 4.690 . 4.690 2.710 2.395 3.549 . 0 0 "[ . 1 . 2]" 1
77 1 9 SER QB 1 10 ASP HA 5.690 . 5.690 4.067 3.850 4.549 . 0 0 "[ . 1 . 2]" 1
78 1 9 SER QB 1 61 TYR QE 4.570 . 4.570 2.903 2.170 3.806 . 0 0 "[ . 1 . 2]" 1
79 1 10 ASP H 1 11 LEU H 4.620 . 4.620 2.713 2.640 2.834 . 0 0 "[ . 1 . 2]" 1
80 1 10 ASP H 1 11 LEU HB2 6.000 . 6.000 4.752 4.388 4.949 . 0 0 "[ . 1 . 2]" 1
81 1 10 ASP HA 1 11 LEU QD 5.640 . 5.640 4.871 4.135 5.730 0.090 19 0 "[ . 1 . 2]" 1
82 1 10 ASP QB 1 11 LEU H 4.680 . 4.680 2.415 2.263 2.593 . 0 0 "[ . 1 . 2]" 1
83 1 10 ASP QB 1 11 LEU QD 4.670 . 4.670 3.110 2.224 4.320 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU H 1 11 LEU QD 4.110 . 4.110 2.747 1.903 3.580 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU H 1 12 PHE H 4.910 . 4.910 2.690 2.535 2.802 . 0 0 "[ . 1 . 2]" 1
86 1 11 LEU H 1 12 PHE QB 6.000 . 6.000 4.349 4.182 4.487 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU H 1 64 PHE QD 6.000 . 6.000 5.718 5.209 5.988 . 0 0 "[ . 1 . 2]" 1
88 1 11 LEU H 1 64 PHE QE 6.000 . 6.000 3.890 3.477 4.133 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HA 1 11 LEU QD 4.270 . 4.270 2.013 1.779 2.831 0.021 12 0 "[ . 1 . 2]" 1
90 1 11 LEU HA 1 14 MET H 5.140 . 5.140 3.454 3.152 4.070 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HA 1 15 PHE QD 5.420 . 5.420 4.078 3.754 4.474 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU HA 1 15 PHE QE 5.390 . 5.390 4.524 4.285 4.997 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU HB2 1 12 PHE H 5.030 . 5.030 2.746 2.475 3.683 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU HB2 1 64 PHE QD 5.270 . 5.270 4.522 4.026 5.414 0.144 18 0 "[ . 1 . 2]" 1
95 1 11 LEU HB3 1 15 PHE QE 4.950 . 4.950 3.383 2.551 4.970 0.020 19 0 "[ . 1 . 2]" 1
96 1 11 LEU HB3 1 64 PHE QD 5.580 . 5.580 5.036 3.842 5.534 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU QD 1 12 PHE H 5.460 . 5.460 4.001 3.586 4.165 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU QD 1 14 MET ME 4.500 . 4.500 3.026 1.837 4.567 0.067 2 0 "[ . 1 . 2]" 1
99 1 11 LEU QD 1 14 MET QG 6.000 . 6.000 3.636 2.303 4.895 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU QD 1 15 PHE QD 5.690 . 5.690 4.225 3.262 4.974 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU QD 1 15 PHE QE 4.940 . 4.940 3.424 2.280 4.280 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU QD 1 64 PHE QD 6.000 . 6.000 4.967 3.804 5.588 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU QD 1 64 PHE QE 6.000 . 6.000 3.347 2.268 3.990 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU QD 1 68 MET ME 3.820 . 3.820 2.393 1.858 3.874 0.054 9 0 "[ . 1 . 2]" 1
105 1 11 LEU QD 1 68 MET QG 4.310 . 4.310 3.506 1.868 4.397 0.087 3 0 "[ . 1 . 2]" 1
106 1 12 PHE H 1 13 ARG H 5.020 . 5.020 2.804 2.691 3.052 . 0 0 "[ . 1 . 2]" 1
107 1 12 PHE H 1 14 MET H 6.000 . 6.000 4.242 4.050 4.539 . 0 0 "[ . 1 . 2]" 1
108 1 12 PHE H 1 15 PHE H 6.000 . 6.000 4.905 4.674 5.246 . 0 0 "[ . 1 . 2]" 1
109 1 12 PHE H 1 64 PHE QD 4.980 . 4.980 3.939 3.507 4.168 . 0 0 "[ . 1 . 2]" 1
110 1 12 PHE H 1 64 PHE QE 5.260 . 5.260 2.648 2.430 2.989 . 0 0 "[ . 1 . 2]" 1
111 1 12 PHE HA 1 16 ASP H 5.630 . 5.630 4.039 3.792 4.382 . 0 0 "[ . 1 . 2]" 1
112 1 12 PHE HA 1 64 PHE QD 5.020 . 5.020 3.647 3.462 3.772 . 0 0 "[ . 1 . 2]" 1
113 1 12 PHE QB 1 13 ARG H 4.570 . 4.570 2.386 2.260 2.450 . 0 0 "[ . 1 . 2]" 1
114 1 12 PHE QB 1 13 ARG QB 6.000 . 6.000 4.138 3.788 4.540 . 0 0 "[ . 1 . 2]" 1
115 1 12 PHE QB 1 61 TYR QE 4.710 . 4.710 3.150 2.361 4.121 . 0 0 "[ . 1 . 2]" 1
116 1 12 PHE QB 1 64 PHE QD 5.520 . 5.520 2.667 2.383 2.971 . 0 0 "[ . 1 . 2]" 1
117 1 12 PHE HB2 1 13 ARG H 5.340 . 5.340 3.736 3.652 3.830 . 0 0 "[ . 1 . 2]" 1
118 1 12 PHE HB2 1 61 TYR QE 5.400 . 5.400 3.518 2.436 4.575 . 0 0 "[ . 1 . 2]" 1
119 1 12 PHE HB3 1 13 ARG H 5.340 . 5.340 2.414 2.282 2.482 . 0 0 "[ . 1 . 2]" 1
120 1 12 PHE HB3 1 61 TYR QE 5.400 . 5.400 3.703 2.784 4.679 . 0 0 "[ . 1 . 2]" 1
121 1 12 PHE QD 1 13 ARG H 5.720 . 5.720 3.446 3.214 3.659 . 0 0 "[ . 1 . 2]" 1
122 1 12 PHE QD 1 15 PHE H 6.000 . 6.000 5.127 4.982 5.328 . 0 0 "[ . 1 . 2]" 1
123 1 12 PHE QD 1 22 TYR HA 6.000 . 6.000 5.611 5.198 6.036 0.036 5 0 "[ . 1 . 2]" 1
124 1 12 PHE QD 1 23 ILE MD 4.800 . 4.800 2.568 2.028 3.164 . 0 0 "[ . 1 . 2]" 1
125 1 12 PHE QD 1 59 ILE MG 6.000 . 6.000 3.963 2.955 4.679 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE QD 1 61 TYR HA 5.500 . 5.500 2.880 2.430 3.302 . 0 0 "[ . 1 . 2]" 1
127 1 12 PHE QD 1 61 TYR QB 6.000 . 6.000 4.031 3.505 4.635 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE QD 1 64 PHE H 6.000 . 6.000 4.313 4.047 4.550 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE QD 1 64 PHE HB3 4.710 . 4.710 2.506 2.287 3.119 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE QE 1 21 GLY H 5.920 . 5.920 3.621 2.617 5.118 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE QE 1 21 GLY HA2 4.950 . 4.950 2.777 2.226 3.218 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE QE 1 21 GLY HA3 5.350 . 5.350 4.195 3.467 4.582 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE QE 1 22 TYR H 5.970 . 5.970 4.173 3.466 5.125 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE QE 1 22 TYR HA 5.040 . 5.040 3.591 3.256 3.921 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE QE 1 23 ILE H 5.340 . 5.340 3.390 3.033 3.860 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE QE 1 23 ILE HB 5.230 . 5.230 4.146 3.673 4.850 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE QE 1 23 ILE MD 4.270 . 4.270 2.623 2.111 3.039 . 0 0 "[ . 1 . 2]" 1
138 1 12 PHE QE 1 23 ILE QG . . 4.700 2.375 1.895 2.649 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE QE 1 60 ASP HA 5.390 . 5.390 3.622 3.084 4.092 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE QE 1 61 TYR H 5.450 . 5.450 3.493 3.138 3.816 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE QE 1 61 TYR HA 4.950 . 4.950 2.607 2.044 3.130 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE QE 1 61 TYR HB2 5.360 . 5.360 3.577 2.894 4.086 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE QE 1 61 TYR QB 4.830 . 4.830 3.467 2.857 3.864 . 0 0 "[ . 1 . 2]" 1
144 1 12 PHE QE 1 61 TYR HB3 5.360 . 5.360 4.718 4.379 4.949 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE QE 1 62 ASP H 6.000 . 6.000 5.219 5.044 5.425 . 0 0 "[ . 1 . 2]" 1
146 1 12 PHE QE 1 63 GLU H 6.000 . 6.000 5.218 4.938 5.513 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE QE 1 64 PHE HB2 4.590 . 4.590 2.471 2.261 2.766 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE HZ 1 21 GLY HA2 5.470 . 5.470 3.795 3.351 4.419 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE HZ 1 22 TYR HA 4.860 . 4.860 2.365 2.006 2.934 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE HZ 1 22 TYR QD 5.390 . 5.390 4.513 3.655 4.920 . 0 0 "[ . 1 . 2]" 1
151 1 12 PHE HZ 1 23 ILE H 5.750 . 5.750 3.168 2.619 3.935 . 0 0 "[ . 1 . 2]" 1
152 1 12 PHE HZ 1 23 ILE MD 5.330 . 5.330 4.044 2.704 4.380 . 0 0 "[ . 1 . 2]" 1
153 1 12 PHE HZ 1 59 ILE MG 5.970 . 5.970 4.856 4.064 5.300 . 0 0 "[ . 1 . 2]" 1
154 1 12 PHE HZ 1 60 ASP HA 5.110 . 5.110 3.363 2.464 4.240 . 0 0 "[ . 1 . 2]" 1
155 1 12 PHE HZ 1 61 TYR H 5.800 . 5.800 3.419 2.679 4.116 . 0 0 "[ . 1 . 2]" 1
156 1 12 PHE HZ 1 61 TYR HA 5.400 . 5.400 3.818 3.291 4.397 . 0 0 "[ . 1 . 2]" 1
157 1 12 PHE HZ 1 64 PHE HB2 5.740 . 5.740 4.834 4.585 5.042 . 0 0 "[ . 1 . 2]" 1
158 1 13 ARG H 1 13 ARG QD 5.580 . 5.580 4.094 2.898 4.745 . 0 0 "[ . 1 . 2]" 1
159 1 13 ARG H 1 13 ARG HG2 5.590 . 5.590 3.597 2.108 4.613 . 0 0 "[ . 1 . 2]" 1
160 1 13 ARG H 1 13 ARG HG3 5.590 . 5.590 3.160 2.072 4.563 . 0 0 "[ . 1 . 2]" 1
161 1 13 ARG H 1 14 MET H 5.780 . 5.780 2.806 2.711 2.988 . 0 0 "[ . 1 . 2]" 1
162 1 13 ARG H 1 64 PHE QD 6.000 . 6.000 5.975 5.695 6.159 0.159 8 0 "[ . 1 . 2]" 1
163 1 13 ARG HA 1 15 PHE H 5.330 . 5.330 4.324 4.041 4.572 . 0 0 "[ . 1 . 2]" 1
164 1 13 ARG HA 1 16 ASP H 5.100 . 5.100 3.416 2.971 3.715 . 0 0 "[ . 1 . 2]" 1
165 1 13 ARG HA 1 16 ASP HB2 5.470 . 5.470 4.035 3.234 4.691 . 0 0 "[ . 1 . 2]" 1
166 1 13 ARG HA 1 16 ASP HB3 5.470 . 5.470 2.993 2.381 3.560 . 0 0 "[ . 1 . 2]" 1
167 1 13 ARG QB 1 14 MET H 4.430 . 4.430 2.675 2.411 3.546 . 0 0 "[ . 1 . 2]" 1
168 1 13 ARG QB 1 14 MET HA 5.890 . 5.890 4.136 3.902 4.647 . 0 0 "[ . 1 . 2]" 1
169 1 13 ARG QB 1 16 ASP H 6.000 . 6.000 4.984 4.691 5.266 . 0 0 "[ . 1 . 2]" 1
170 1 13 ARG QG 1 14 MET HA 6.000 . 6.000 5.072 3.345 6.013 0.013 16 0 "[ . 1 . 2]" 1
171 1 13 ARG QG 1 16 ASP H 6.000 . 6.000 5.211 5.018 5.868 . 0 0 "[ . 1 . 2]" 1
172 1 14 MET H 1 14 MET ME 5.250 . 5.250 4.101 3.124 4.718 . 0 0 "[ . 1 . 2]" 1
173 1 14 MET H 1 14 MET HG2 4.700 . 4.700 3.122 2.108 4.483 . 0 0 "[ . 1 . 2]" 1
174 1 14 MET H 1 14 MET QG 4.230 . 4.230 2.258 2.085 3.957 . 0 0 "[ . 1 . 2]" 1
175 1 14 MET H 1 14 MET HG3 4.700 . 4.700 2.655 2.109 4.403 . 0 0 "[ . 1 . 2]" 1
176 1 14 MET H 1 15 PHE H 4.360 . 4.360 2.635 2.594 2.701 . 0 0 "[ . 1 . 2]" 1
177 1 14 MET HA 1 14 MET ME 6.000 . 6.000 4.005 2.801 4.655 . 0 0 "[ . 1 . 2]" 1
178 1 14 MET HB2 1 15 PHE H 5.130 . 5.130 2.641 2.496 3.639 . 0 0 "[ . 1 . 2]" 1
179 1 14 MET HB2 1 15 PHE QD 5.130 . 5.130 3.008 2.337 4.181 . 0 0 "[ . 1 . 2]" 1
180 1 14 MET HB2 1 31 MET ME 6.000 . 6.000 4.757 2.888 6.051 0.051 11 0 "[ . 1 . 2]" 1
181 1 14 MET HB3 1 15 PHE H 5.450 . 5.450 3.571 2.346 3.719 . 0 0 "[ . 1 . 2]" 1
182 1 14 MET HB3 1 15 PHE QD 5.530 . 5.530 4.125 2.596 4.847 . 0 0 "[ . 1 . 2]" 1
183 1 14 MET HB3 1 31 MET QB 6.000 . 6.000 5.708 4.820 6.227 0.227 2 0 "[ . 1 . 2]" 1
184 1 14 MET HB3 1 31 MET ME 5.810 . 5.810 4.321 2.257 5.838 0.028 7 0 "[ . 1 . 2]" 1
185 1 14 MET QG 1 15 PHE H 6.000 . 6.000 4.029 3.714 4.135 . 0 0 "[ . 1 . 2]" 1
186 1 15 PHE H 1 15 PHE QD 4.280 . 4.280 2.382 2.073 2.865 . 0 0 "[ . 1 . 2]" 1
187 1 15 PHE H 1 16 ASP H 4.860 . 4.860 2.699 2.553 2.840 . 0 0 "[ . 1 . 2]" 1
188 1 15 PHE H 1 23 ILE MD 5.440 . 5.440 4.107 3.850 4.358 . 0 0 "[ . 1 . 2]" 1
189 1 15 PHE H 1 23 ILE MG 6.000 . 6.000 4.839 4.535 5.394 . 0 0 "[ . 1 . 2]" 1
190 1 15 PHE H 1 31 MET ME 5.580 . 5.580 4.482 3.552 5.646 0.066 15 0 "[ . 1 . 2]" 1
191 1 15 PHE H 1 64 PHE QE 6.000 . 6.000 4.769 4.376 5.183 . 0 0 "[ . 1 . 2]" 1
192 1 15 PHE HA 1 31 MET ME 4.220 . 4.220 2.654 1.755 3.761 0.045 9 0 "[ . 1 . 2]" 1
193 1 15 PHE QB 1 16 ASP H 4.690 . 4.690 2.564 2.412 2.929 . 0 0 "[ . 1 . 2]" 1
194 1 15 PHE QB 1 23 ILE QG 4.980 . 4.980 2.225 1.914 2.916 . 0 0 "[ . 1 . 2]" 1
195 1 15 PHE QB 1 23 ILE MG 4.520 . 4.520 1.963 1.760 2.585 0.040 13 0 "[ . 1 . 2]" 1
196 1 15 PHE HB2 1 16 ASP H 5.260 . 5.260 2.677 2.484 3.108 . 0 0 "[ . 1 . 2]" 1
197 1 15 PHE HB2 1 23 ILE MD 4.590 . 4.590 2.260 1.991 2.615 . 0 0 "[ . 1 . 2]" 1
198 1 15 PHE HB2 1 23 ILE MG 5.310 . 5.310 3.350 3.086 3.951 . 0 0 "[ . 1 . 2]" 1
199 1 15 PHE HB3 1 16 ASP H 5.260 . 5.260 3.302 3.065 3.579 . 0 0 "[ . 1 . 2]" 1
200 1 15 PHE HB3 1 23 ILE MD 4.590 . 4.590 2.085 1.894 2.419 . 0 0 "[ . 1 . 2]" 1
201 1 15 PHE HB3 1 23 ILE MG 5.310 . 5.310 1.977 1.770 2.621 0.030 13 0 "[ . 1 . 2]" 1
202 1 15 PHE QD 1 23 ILE MD 4.620 . 4.620 2.861 2.224 3.879 . 0 0 "[ . 1 . 2]" 1
203 1 15 PHE QD 1 23 ILE QG 5.160 . 5.160 4.066 3.685 4.574 . 0 0 "[ . 1 . 2]" 1
204 1 15 PHE QD 1 23 ILE MG 4.260 . 4.260 2.433 1.802 2.984 . 0 0 "[ . 1 . 2]" 1
205 1 15 PHE QD 1 28 LEU HG 4.580 . 4.580 3.677 2.370 4.680 0.100 17 0 "[ . 1 . 2]" 1
206 1 15 PHE QD 1 31 MET ME 4.470 . 4.470 2.845 2.395 3.501 . 0 0 "[ . 1 . 2]" 1
207 1 15 PHE QD 1 64 PHE QD 5.960 . 5.960 4.284 3.982 4.650 . 0 0 "[ . 1 . 2]" 1
208 1 15 PHE QD 1 64 PHE QE 5.470 . 5.470 2.856 2.545 3.184 . 0 0 "[ . 1 . 2]" 1
209 1 15 PHE QE 1 23 ILE MD 5.970 . 5.970 4.267 3.766 5.624 . 0 0 "[ . 1 . 2]" 1
210 1 15 PHE QE 1 28 LEU HG 4.760 . 4.760 4.189 2.363 4.835 0.075 9 0 "[ . 1 . 2]" 1
211 1 15 PHE QE 1 31 MET QB 5.880 . 5.880 5.196 4.543 5.915 0.035 12 0 "[ . 1 . 2]" 1
212 1 15 PHE QE 1 31 MET ME 4.380 . 4.380 2.935 2.113 3.737 . 0 0 "[ . 1 . 2]" 1
213 1 15 PHE HZ 1 31 MET ME 4.960 . 4.960 3.825 3.024 5.062 0.102 9 0 "[ . 1 . 2]" 1
214 1 16 ASP H 1 19 ALA H 6.000 . 6.000 5.644 5.072 6.128 0.128 8 0 "[ . 1 . 2]" 1
215 1 16 ASP H 1 23 ILE MD 5.540 . 5.540 3.811 2.578 4.569 . 0 0 "[ . 1 . 2]" 1
216 1 16 ASP HA 1 17 LYS H 4.120 . 4.120 2.275 2.193 2.387 . 0 0 "[ . 1 . 2]" 1
217 1 16 ASP HA 1 18 ASN H 5.180 . 5.180 3.938 3.596 4.510 . 0 0 "[ . 1 . 2]" 1
218 1 16 ASP HA 1 19 ALA H 5.900 . 5.900 4.425 4.075 4.934 . 0 0 "[ . 1 . 2]" 1
219 1 17 LYS H 1 17 LYS QD 6.000 . 6.000 3.824 1.923 4.803 . 0 0 "[ . 1 . 2]" 1
220 1 17 LYS H 1 17 LYS QE 5.820 . 5.820 4.361 3.091 5.927 0.107 9 0 "[ . 1 . 2]" 1
221 1 17 LYS H 1 18 ASN H 4.590 . 4.590 2.590 2.076 2.938 . 0 0 "[ . 1 . 2]" 1
222 1 17 LYS H 1 19 ALA H 5.520 . 5.520 4.018 3.630 4.347 . 0 0 "[ . 1 . 2]" 1
223 1 17 LYS H 1 23 ILE HA 5.680 . 5.680 4.450 4.041 4.942 . 0 0 "[ . 1 . 2]" 1
224 1 17 LYS H 1 23 ILE MG 5.830 . 5.830 4.556 4.042 5.385 . 0 0 "[ . 1 . 2]" 1
225 1 17 LYS H 1 27 GLU H 6.000 . 6.000 5.374 5.070 5.881 . 0 0 "[ . 1 . 2]" 1
226 1 17 LYS H 1 28 LEU H 6.000 . 6.000 5.689 5.167 6.106 0.106 2 0 "[ . 1 . 2]" 1
227 1 17 LYS HA 1 17 LYS QD 4.820 . 4.820 2.769 1.777 4.033 0.023 4 0 "[ . 1 . 2]" 1
228 1 17 LYS QB 1 18 ASN H 4.520 . 4.520 2.659 2.346 3.119 . 0 0 "[ . 1 . 2]" 1
229 1 17 LYS QB 1 19 ALA H 5.840 . 5.840 4.587 4.376 4.750 . 0 0 "[ . 1 . 2]" 1
230 1 17 LYS QB 1 28 LEU H 6.000 . 6.000 5.614 4.894 6.139 0.139 11 0 "[ . 1 . 2]" 1
231 1 17 LYS QE 1 30 ILE MG 4.480 . 4.480 3.442 2.568 4.521 0.041 12 0 "[ . 1 . 2]" 1
232 1 18 ASN H 1 19 ALA H 4.130 . 4.130 2.675 2.529 2.848 . 0 0 "[ . 1 . 2]" 1
233 1 18 ASN H 1 19 ALA MB 5.640 . 5.640 4.854 4.773 4.965 . 0 0 "[ . 1 . 2]" 1
234 1 18 ASN H 1 20 ASP H 5.650 . 5.650 3.807 3.380 4.163 . 0 0 "[ . 1 . 2]" 1
235 1 18 ASN QB 1 19 ALA H 5.180 . 5.180 3.361 2.810 4.078 . 0 0 "[ . 1 . 2]" 1
236 1 19 ALA H 1 20 ASP H 4.500 . 4.500 2.654 2.338 2.915 . 0 0 "[ . 1 . 2]" 1
237 1 19 ALA H 1 21 GLY H 5.540 . 5.540 4.331 3.970 4.612 . 0 0 "[ . 1 . 2]" 1
238 1 19 ALA H 1 22 TYR H 6.000 . 6.000 5.839 5.335 6.117 0.117 20 0 "[ . 1 . 2]" 1
239 1 19 ALA HA 1 20 ASP H 4.440 . 4.440 2.993 2.861 3.251 . 0 0 "[ . 1 . 2]" 1
240 1 19 ALA HA 1 21 GLY H 4.740 . 4.740 3.362 3.078 3.594 . 0 0 "[ . 1 . 2]" 1
241 1 19 ALA MB 1 20 ASP H 5.280 . 5.280 3.609 3.503 3.696 . 0 0 "[ . 1 . 2]" 1
242 1 19 ALA MB 1 21 GLY H 5.810 . 5.810 4.434 4.166 4.663 . 0 0 "[ . 1 . 2]" 1
243 1 20 ASP H 1 21 GLY H 4.490 . 4.490 2.594 2.438 2.758 . 0 0 "[ . 1 . 2]" 1
244 1 20 ASP H 1 21 GLY HA2 5.840 . 5.840 4.991 4.788 5.175 . 0 0 "[ . 1 . 2]" 1
245 1 20 ASP H 1 22 TYR H 5.150 . 5.150 3.839 3.469 4.223 . 0 0 "[ . 1 . 2]" 1
246 1 20 ASP QB 1 22 TYR H 5.840 . 5.840 3.508 3.226 3.712 . 0 0 "[ . 1 . 2]" 1
247 1 20 ASP QB 1 22 TYR QD 5.500 . 5.500 3.352 2.082 4.256 . 0 0 "[ . 1 . 2]" 1
248 1 20 ASP HB2 1 21 GLY H 5.880 . 5.880 4.167 3.865 4.408 . 0 0 "[ . 1 . 2]" 1
249 1 20 ASP HB2 1 22 TYR QD 6.000 . 6.000 3.413 2.092 4.387 . 0 0 "[ . 1 . 2]" 1
250 1 20 ASP HB3 1 21 GLY H 5.880 . 5.880 4.370 4.173 4.564 . 0 0 "[ . 1 . 2]" 1
251 1 20 ASP HB3 1 22 TYR QD 6.000 . 6.000 4.976 3.771 5.852 . 0 0 "[ . 1 . 2]" 1
252 1 21 GLY H 1 22 TYR H 4.350 . 4.350 2.567 2.365 2.821 . 0 0 "[ . 1 . 2]" 1
253 1 21 GLY H 1 22 TYR HA 6.000 . 6.000 5.020 4.852 5.268 . 0 0 "[ . 1 . 2]" 1
254 1 21 GLY H 1 22 TYR HB2 6.000 . 6.000 5.055 4.785 5.251 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLY H 1 22 TYR QD 5.990 . 5.990 4.684 4.133 5.264 . 0 0 "[ . 1 . 2]" 1
256 1 21 GLY HA3 1 22 TYR QE 5.470 . 5.470 4.205 3.905 4.745 . 0 0 "[ . 1 . 2]" 1
257 1 21 GLY HA3 1 61 TYR H 6.000 . 6.000 5.501 4.254 6.086 0.086 12 0 "[ . 1 . 2]" 1
258 1 22 TYR H 1 22 TYR QD 4.670 . 4.670 2.868 2.540 3.415 . 0 0 "[ . 1 . 2]" 1
259 1 22 TYR H 1 23 ILE H 6.000 . 6.000 4.422 4.321 4.481 . 0 0 "[ . 1 . 2]" 1
260 1 22 TYR HA 1 23 ILE H 4.400 . 4.400 2.301 2.225 2.368 . 0 0 "[ . 1 . 2]" 1
261 1 22 TYR HA 1 23 ILE QG 6.000 . 6.000 3.618 3.372 3.806 . 0 0 "[ . 1 . 2]" 1
262 1 22 TYR HA 1 61 TYR HA 6.000 . 6.000 5.469 4.283 6.100 0.100 8 0 "[ . 1 . 2]" 1
263 1 22 TYR HB2 1 23 ILE H 5.170 . 5.170 4.070 3.798 4.385 . 0 0 "[ . 1 . 2]" 1
264 1 22 TYR HB2 1 58 ARG QB 5.020 . 5.020 3.690 2.780 4.566 . 0 0 "[ . 1 . 2]" 1
265 1 22 TYR HB2 1 58 ARG QD 5.480 . 5.480 3.508 2.283 4.849 . 0 0 "[ . 1 . 2]" 1
266 1 22 TYR HB2 1 58 ARG QG 6.000 . 6.000 4.747 3.886 6.036 0.036 19 0 "[ . 1 . 2]" 1
267 1 22 TYR HB2 1 59 ILE H 6.000 . 6.000 5.448 4.596 6.030 0.030 1 0 "[ . 1 . 2]" 1
268 1 22 TYR HB3 1 23 ILE H 5.020 . 5.020 3.143 2.766 3.480 . 0 0 "[ . 1 . 2]" 1
269 1 22 TYR HB3 1 58 ARG QB 4.680 . 4.680 2.428 1.747 3.164 0.053 11 0 "[ . 1 . 2]" 1
270 1 22 TYR HB3 1 59 ILE H 5.480 . 5.480 3.999 3.297 4.793 . 0 0 "[ . 1 . 2]" 1
271 1 22 TYR QD 1 23 ILE H 5.260 . 5.260 4.096 3.479 4.424 . 0 0 "[ . 1 . 2]" 1
272 1 22 TYR QD 1 58 ARG QB 4.780 . 4.780 3.354 2.150 4.608 . 0 0 "[ . 1 . 2]" 1
273 1 22 TYR QD 1 58 ARG QD 4.930 . 4.930 3.738 2.242 4.633 . 0 0 "[ . 1 . 2]" 1
274 1 22 TYR QD 1 58 ARG QG 5.150 . 5.150 4.445 1.961 5.256 0.106 5 0 "[ . 1 . 2]" 1
275 1 22 TYR QD 1 59 ILE H 5.830 . 5.830 4.831 3.625 5.930 0.100 4 0 "[ . 1 . 2]" 1
276 1 22 TYR QD 1 60 ASP H 5.860 . 5.860 4.014 3.140 5.128 . 0 0 "[ . 1 . 2]" 1
277 1 22 TYR QD 1 60 ASP HA 4.860 . 4.860 2.567 1.753 3.115 0.047 4 0 "[ . 1 . 2]" 1
278 1 22 TYR QD 1 60 ASP QB 4.760 . 4.760 3.097 2.375 3.943 . 0 0 "[ . 1 . 2]" 1
279 1 22 TYR QD 1 61 TYR H 6.000 . 6.000 4.452 2.914 5.164 . 0 0 "[ . 1 . 2]" 1
280 1 22 TYR QE 1 58 ARG QD 5.380 . 5.380 4.823 3.612 5.541 0.161 2 0 "[ . 1 . 2]" 1
281 1 22 TYR QE 1 60 ASP HA 4.820 . 4.820 3.761 2.901 4.665 . 0 0 "[ . 1 . 2]" 1
282 1 22 TYR QE 1 60 ASP QB 4.300 . 4.300 2.987 1.922 4.405 0.105 12 0 "[ . 1 . 2]" 1
283 1 23 ILE H 1 23 ILE MD 5.050 . 5.050 3.520 3.151 3.652 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE H 1 23 ILE QG 4.760 . 4.760 2.253 2.067 2.430 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE H 1 24 ASP H 5.940 . 5.940 4.391 4.133 4.506 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE H 1 58 ARG HA 5.700 . 5.700 4.997 4.319 5.723 0.023 2 0 "[ . 1 . 2]" 1
287 1 23 ILE H 1 58 ARG QB 5.410 . 5.410 3.941 3.326 4.711 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE H 1 59 ILE H 5.010 . 5.010 3.001 2.538 3.771 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE HA 1 24 ASP H 4.240 . 4.240 2.187 2.098 2.253 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE HA 1 58 ARG QB 6.000 . 6.000 5.398 4.487 6.049 0.049 19 0 "[ . 1 . 2]" 1
291 1 23 ILE HA 1 59 ILE H 6.000 . 6.000 4.630 4.274 5.124 . 0 0 "[ . 1 . 2]" 1
292 1 23 ILE HB 1 24 ASP H 5.770 . 5.770 4.243 4.135 4.412 . 0 0 "[ . 1 . 2]" 1
293 1 23 ILE HB 1 59 ILE H 5.700 . 5.700 2.832 2.160 3.634 . 0 0 "[ . 1 . 2]" 1
294 1 23 ILE MD 1 23 ILE MG 3.940 . 3.940 1.793 1.735 1.901 0.065 16 0 "[ . 1 . 2]" 1
295 1 23 ILE MD 1 64 PHE HB2 5.100 . 5.100 2.702 2.234 4.222 . 0 0 "[ . 1 . 2]" 1
296 1 23 ILE QG 1 24 ASP H . . 5.530 4.364 4.210 4.856 . 0 0 "[ . 1 . 2]" 1
297 1 23 ILE MG 1 24 ASP H 4.820 . 4.820 2.977 2.714 3.404 . 0 0 "[ . 1 . 2]" 1
298 1 23 ILE MG 1 27 GLU QB 5.190 . 5.190 2.960 2.626 3.261 . 0 0 "[ . 1 . 2]" 1
299 1 23 ILE MG 1 28 LEU H 4.810 . 4.810 3.613 3.166 4.041 . 0 0 "[ . 1 . 2]" 1
300 1 23 ILE MG 1 28 LEU HA 4.270 . 4.270 3.782 3.256 4.294 0.024 7 0 "[ . 1 . 2]" 1
301 1 23 ILE MG 1 64 PHE QE 5.690 . 5.690 4.379 3.588 4.954 . 0 0 "[ . 1 . 2]" 1
302 1 24 ASP H 1 25 LEU HA 6.000 . 6.000 5.467 5.256 5.703 . 0 0 "[ . 1 . 2]" 1
303 1 24 ASP H 1 26 ASP H 6.000 . 6.000 5.159 4.909 5.361 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASP H 1 27 GLU H 5.450 . 5.450 3.591 3.299 3.825 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASP H 1 27 GLU QB 5.460 . 5.460 2.127 1.965 2.314 . 0 0 "[ . 1 . 2]" 1
306 1 24 ASP H 1 28 LEU H 5.870 . 5.870 4.064 3.815 4.327 . 0 0 "[ . 1 . 2]" 1
307 1 24 ASP H 1 28 LEU HA 6.000 . 6.000 5.979 5.684 6.154 0.154 20 0 "[ . 1 . 2]" 1
308 1 24 ASP H 1 48 MET ME 6.000 . 6.000 5.103 4.016 6.091 0.091 10 0 "[ . 1 . 2]" 1
309 1 24 ASP H 1 58 ARG QB 6.000 . 6.000 5.147 3.714 6.129 0.129 8 0 "[ . 1 . 2]" 1
310 1 24 ASP HA 1 25 LEU H 4.370 . 4.370 2.324 2.243 2.443 . 0 0 "[ . 1 . 2]" 1
311 1 24 ASP HA 1 26 ASP H 5.700 . 5.700 4.282 3.993 4.512 . 0 0 "[ . 1 . 2]" 1
312 1 24 ASP HA 1 48 MET ME 4.590 . 4.590 3.411 2.366 4.617 0.027 6 0 "[ . 1 . 2]" 1
313 1 24 ASP HB2 1 25 LEU H 5.110 . 5.110 4.056 3.879 4.231 . 0 0 "[ . 1 . 2]" 1
314 1 24 ASP HB2 1 26 ASP H 5.050 . 5.050 4.238 3.480 4.622 . 0 0 "[ . 1 . 2]" 1
315 1 24 ASP HB2 1 27 GLU H 4.520 . 4.520 3.361 1.934 4.164 . 0 0 "[ . 1 . 2]" 1
316 1 24 ASP HB3 1 25 LEU H 4.250 . 4.250 3.382 2.785 3.865 . 0 0 "[ . 1 . 2]" 1
317 1 25 LEU H 1 25 LEU QD 5.130 . 5.130 2.861 2.069 3.662 . 0 0 "[ . 1 . 2]" 1
318 1 25 LEU H 1 25 LEU HG 5.280 . 5.280 2.871 1.836 4.484 . 0 0 "[ . 1 . 2]" 1
319 1 25 LEU H 1 48 MET ME 4.650 . 4.650 3.077 2.293 4.275 . 0 0 "[ . 1 . 2]" 1
320 1 25 LEU HA 1 26 ASP QB 6.000 . 6.000 5.286 5.124 5.497 . 0 0 "[ . 1 . 2]" 1
321 1 25 LEU HA 1 48 MET ME 4.750 . 4.750 3.326 1.962 4.776 0.026 9 0 "[ . 1 . 2]" 1
322 1 25 LEU QB 1 26 ASP H 5.080 . 5.080 2.908 2.172 3.453 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU QB 1 26 ASP HB2 6.000 . 6.000 4.571 3.676 5.324 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU QB 1 26 ASP HB3 6.000 . 6.000 5.465 4.453 6.017 0.017 16 0 "[ . 1 . 2]" 1
325 1 25 LEU QD 1 26 ASP H 4.830 . 4.830 3.103 2.230 3.960 . 0 0 "[ . 1 . 2]" 1
326 1 25 LEU HG 1 26 ASP H 5.430 . 5.430 2.770 1.872 3.913 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU HG 1 26 ASP HB2 6.000 . 6.000 4.414 3.314 5.922 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU HG 1 26 ASP HB3 6.000 . 6.000 5.313 4.133 6.230 0.230 19 0 "[ . 1 . 2]" 1
329 1 26 ASP H 1 26 ASP QB 3.920 . 3.920 2.187 1.990 2.436 . 0 0 "[ . 1 . 2]" 1
330 1 26 ASP H 1 27 GLU H 4.300 . 4.300 2.719 2.630 2.783 . 0 0 "[ . 1 . 2]" 1
331 1 26 ASP QB 1 27 GLU H 4.210 . 4.210 2.572 2.223 2.744 . 0 0 "[ . 1 . 2]" 1
332 1 26 ASP HB2 1 27 GLU H 5.010 . 5.010 3.360 2.509 3.940 . 0 0 "[ . 1 . 2]" 1
333 1 26 ASP HB3 1 27 GLU H 5.010 . 5.010 2.881 2.243 3.735 . 0 0 "[ . 1 . 2]" 1
334 1 27 GLU QB 1 28 LEU H 5.780 . 5.780 2.457 2.295 2.561 . 0 0 "[ . 1 . 2]" 1
335 1 27 GLU QB 1 28 LEU HA 5.250 . 5.250 3.939 3.794 4.028 . 0 0 "[ . 1 . 2]" 1
336 1 28 LEU HA 1 30 ILE H 5.150 . 5.150 4.468 4.242 4.826 . 0 0 "[ . 1 . 2]" 1
337 1 28 LEU HA 1 30 ILE HB 5.870 . 5.870 5.125 4.626 5.877 0.007 11 0 "[ . 1 . 2]" 1
338 1 28 LEU HA 1 31 MET ME 5.240 . 5.240 3.173 1.782 4.284 0.018 12 0 "[ . 1 . 2]" 1
339 1 28 LEU HG 1 31 MET ME 3.920 . 3.920 3.540 2.205 4.039 0.119 13 0 "[ . 1 . 2]" 1
340 1 29 LYS H 1 30 ILE H 4.720 . 4.720 2.826 2.747 2.978 . 0 0 "[ . 1 . 2]" 1
341 1 29 LYS H 1 30 ILE HB 6.000 . 6.000 4.969 4.662 5.076 . 0 0 "[ . 1 . 2]" 1
342 1 29 LYS H 1 30 ILE MD 5.740 . 5.740 5.223 4.741 5.950 0.210 3 0 "[ . 1 . 2]" 1
343 1 29 LYS H 1 44 ILE MD 6.000 . 6.000 3.348 2.238 4.834 . 0 0 "[ . 1 . 2]" 1
344 1 29 LYS H 1 44 ILE MG 5.990 . 5.990 3.592 2.796 4.743 . 0 0 "[ . 1 . 2]" 1
345 1 29 LYS HA 1 32 LEU H 4.830 . 4.830 3.320 2.940 3.632 . 0 0 "[ . 1 . 2]" 1
346 1 29 LYS HA 1 32 LEU QB 4.650 . 4.650 2.403 2.083 2.807 . 0 0 "[ . 1 . 2]" 1
347 1 29 LYS HA 1 32 LEU QD 4.810 . 4.810 3.091 1.805 4.209 . 0 0 "[ . 1 . 2]" 1
348 1 29 LYS HA 1 33 GLN H 5.480 . 5.480 3.921 3.455 4.317 . 0 0 "[ . 1 . 2]" 1
349 1 29 LYS HA 1 39 ILE QG 5.230 . 5.230 4.349 2.949 5.246 0.016 20 0 "[ . 1 . 2]" 1
350 1 29 LYS HA 1 44 ILE MD 5.230 . 5.230 2.639 1.870 3.762 . 0 0 "[ . 1 . 2]" 1
351 1 29 LYS QB 1 30 ILE H 4.350 . 4.350 2.807 2.307 3.576 . 0 0 "[ . 1 . 2]" 1
352 1 29 LYS QB 1 30 ILE HA 5.570 . 5.570 4.121 3.772 4.646 . 0 0 "[ . 1 . 2]" 1
353 1 29 LYS QG 1 31 MET H 6.000 . 6.000 5.228 4.397 5.866 . 0 0 "[ . 1 . 2]" 1
354 1 29 LYS QG 1 44 ILE MD 5.190 . 5.190 2.623 1.708 5.045 0.092 1 0 "[ . 1 . 2]" 1
355 1 30 ILE H 1 30 ILE HB 4.070 . 4.070 2.489 2.145 2.615 . 0 0 "[ . 1 . 2]" 1
356 1 30 ILE H 1 30 ILE MD 4.460 . 4.460 3.385 2.813 3.920 . 0 0 "[ . 1 . 2]" 1
357 1 30 ILE H 1 30 ILE QG . . 4.410 2.089 1.934 3.870 . 0 0 "[ . 1 . 2]" 1
358 1 30 ILE H 1 31 MET H 4.730 . 4.730 2.798 2.677 2.958 . 0 0 "[ . 1 . 2]" 1
359 1 30 ILE H 1 32 LEU H 5.390 . 5.390 4.166 4.007 4.373 . 0 0 "[ . 1 . 2]" 1
360 1 30 ILE HA 1 33 GLN H 5.430 . 5.430 3.489 2.797 3.937 . 0 0 "[ . 1 . 2]" 1
361 1 30 ILE HA 1 33 GLN QB 5.210 . 5.210 2.898 1.781 3.884 0.019 15 0 "[ . 1 . 2]" 1
362 1 30 ILE HA 1 33 GLN HG2 5.970 . 5.970 3.996 2.028 6.042 0.072 6 0 "[ . 1 . 2]" 1
363 1 30 ILE HA 1 33 GLN HG3 5.970 . 5.970 3.842 2.579 5.986 0.016 6 0 "[ . 1 . 2]" 1
364 1 30 ILE HA 1 34 ALA H 6.000 . 6.000 4.336 3.841 4.915 . 0 0 "[ . 1 . 2]" 1
365 1 30 ILE HB 1 31 MET H 5.030 . 5.030 2.621 2.394 3.965 . 0 0 "[ . 1 . 2]" 1
366 1 30 ILE QG 1 31 MET H 5.910 . 5.910 4.021 3.900 4.263 . 0 0 "[ . 1 . 2]" 1
367 1 30 ILE MG 1 31 MET H 4.860 . 4.860 3.423 2.055 3.628 . 0 0 "[ . 1 . 2]" 1
368 1 30 ILE MG 1 34 ALA H 5.940 . 5.940 4.467 3.760 5.353 . 0 0 "[ . 1 . 2]" 1
369 1 31 MET H 1 31 MET ME 4.990 . 4.990 4.073 3.075 4.622 . 0 0 "[ . 1 . 2]" 1
370 1 31 MET H 1 31 MET HG2 5.540 . 5.540 3.337 1.827 4.504 . 0 0 "[ . 1 . 2]" 1
371 1 31 MET H 1 31 MET QG 4.960 . 4.960 2.562 1.811 3.962 . 0 0 "[ . 1 . 2]" 1
372 1 31 MET H 1 31 MET HG3 5.540 . 5.540 2.988 2.031 4.404 . 0 0 "[ . 1 . 2]" 1
373 1 31 MET H 1 32 LEU H 4.530 . 4.530 2.651 2.465 2.739 . 0 0 "[ . 1 . 2]" 1
374 1 31 MET H 1 32 LEU QD 5.210 . 5.210 4.183 3.507 5.332 0.122 19 0 "[ . 1 . 2]" 1
375 1 31 MET H 1 33 GLN H 5.970 . 5.970 4.176 3.875 4.404 . 0 0 "[ . 1 . 2]" 1
376 1 31 MET HA 1 32 LEU QD 6.000 . 6.000 4.658 4.011 5.736 . 0 0 "[ . 1 . 2]" 1
377 1 31 MET QB 1 31 MET ME 3.840 . 3.840 2.055 1.775 2.195 0.025 17 0 "[ . 1 . 2]" 1
378 1 31 MET QB 1 32 LEU H 4.880 . 4.880 2.677 2.259 3.505 . 0 0 "[ . 1 . 2]" 1
379 1 31 MET QB 1 32 LEU QD 4.920 . 4.920 3.051 2.038 4.819 . 0 0 "[ . 1 . 2]" 1
380 1 31 MET QB 1 35 THR H 6.000 . 6.000 5.244 4.753 6.011 0.011 12 0 "[ . 1 . 2]" 1
381 1 31 MET QB 1 35 THR MG 5.240 . 5.240 4.487 3.322 5.367 0.127 11 0 "[ . 1 . 2]" 1
382 1 31 MET HB2 1 31 MET ME 4.350 . 4.350 2.839 1.792 3.233 0.008 17 0 "[ . 1 . 2]" 1
383 1 31 MET HB3 1 31 MET ME 4.350 . 4.350 2.281 1.896 2.965 . 0 0 "[ . 1 . 2]" 1
384 1 32 LEU H 1 32 LEU MD1 5.360 . 5.360 3.679 2.304 4.201 . 0 0 "[ . 1 . 2]" 1
385 1 32 LEU H 1 32 LEU QD 4.130 . 4.130 2.513 2.017 3.530 . 0 0 "[ . 1 . 2]" 1
386 1 32 LEU H 1 32 LEU MD2 5.360 . 5.360 2.659 2.024 4.109 . 0 0 "[ . 1 . 2]" 1
387 1 32 LEU H 1 32 LEU HG 5.170 . 5.170 3.896 2.040 4.555 . 0 0 "[ . 1 . 2]" 1
388 1 32 LEU H 1 33 GLN H 4.620 . 4.620 2.708 2.543 2.841 . 0 0 "[ . 1 . 2]" 1
389 1 32 LEU H 1 34 ALA H 5.690 . 5.690 4.092 3.944 4.325 . 0 0 "[ . 1 . 2]" 1
390 1 32 LEU HA 1 32 LEU MD1 4.470 . 4.470 2.185 1.798 3.833 0.002 13 0 "[ . 1 . 2]" 1
391 1 32 LEU HA 1 32 LEU QD 3.930 . 3.930 1.926 1.794 2.183 0.006 13 0 "[ . 1 . 2]" 1
392 1 32 LEU HA 1 32 LEU MD2 4.470 . 4.470 2.624 2.070 3.793 . 0 0 "[ . 1 . 2]" 1
393 1 32 LEU HA 1 35 THR H 4.880 . 4.880 3.204 2.928 3.676 . 0 0 "[ . 1 . 2]" 1
394 1 32 LEU HA 1 35 THR MG 4.200 . 4.200 3.184 2.245 4.212 0.012 16 0 "[ . 1 . 2]" 1
395 1 32 LEU HA 1 36 GLY H 5.320 . 5.320 4.462 3.054 5.365 0.045 5 0 "[ . 1 . 2]" 1
396 1 32 LEU QB 1 33 GLN H 4.220 . 4.220 2.596 2.315 2.784 . 0 0 "[ . 1 . 2]" 1
397 1 32 LEU QB 1 36 GLY H 6.000 . 6.000 5.030 4.148 6.098 0.098 19 0 "[ . 1 . 2]" 1
398 1 32 LEU QB 1 39 ILE MD 4.630 . 4.630 3.014 1.789 4.653 0.023 5 0 "[ . 1 . 2]" 1
399 1 32 LEU QB 1 39 ILE QG 4.870 . 4.870 2.257 1.708 3.972 0.092 11 0 "[ . 1 . 2]" 1
400 1 32 LEU HB2 1 33 GLN H 5.010 . 5.010 2.932 2.424 3.681 . 0 0 "[ . 1 . 2]" 1
401 1 32 LEU HB3 1 33 GLN H 5.010 . 5.010 3.187 2.340 3.732 . 0 0 "[ . 1 . 2]" 1
402 1 32 LEU QD 1 33 GLN H 5.330 . 5.330 3.867 3.403 4.044 . 0 0 "[ . 1 . 2]" 1
403 1 32 LEU QD 1 35 THR H 6.000 . 6.000 4.120 3.667 4.617 . 0 0 "[ . 1 . 2]" 1
404 1 32 LEU QD 1 35 THR MG 4.540 . 4.540 3.171 2.426 4.082 . 0 0 "[ . 1 . 2]" 1
405 1 32 LEU QD 1 36 GLY H 5.870 . 5.870 4.630 3.117 5.798 . 0 0 "[ . 1 . 2]" 1
406 1 32 LEU QD 1 39 ILE MD 4.410 . 4.410 2.359 1.753 3.632 0.047 4 0 "[ . 1 . 2]" 1
407 1 32 LEU QD 1 39 ILE QG 5.340 . 5.340 2.239 1.744 3.917 0.056 18 0 "[ . 1 . 2]" 1
408 1 32 LEU MD1 1 33 GLN H 6.000 . 6.000 4.457 3.496 4.782 . 0 0 "[ . 1 . 2]" 1
409 1 32 LEU MD1 1 35 THR H 6.000 . 6.000 4.494 3.807 6.241 0.241 15 0 "[ . 1 . 2]" 1
410 1 32 LEU MD1 1 35 THR MG 5.190 . 5.190 3.517 2.444 5.162 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU MD2 1 33 GLN H 6.000 . 6.000 4.308 4.005 4.694 . 0 0 "[ . 1 . 2]" 1
412 1 32 LEU MD2 1 35 THR H 6.000 . 6.000 5.126 4.583 6.049 0.049 5 0 "[ . 1 . 2]" 1
413 1 32 LEU MD2 1 35 THR MG 5.190 . 5.190 4.240 3.170 5.247 0.057 13 0 "[ . 1 . 2]" 1
414 1 32 LEU HG 1 33 GLN H 6.000 . 6.000 4.929 3.829 5.372 . 0 0 "[ . 1 . 2]" 1
415 1 32 LEU HG 1 39 ILE H 6.000 . 6.000 5.399 4.049 6.139 0.139 4 0 "[ . 1 . 2]" 1
416 1 32 LEU HG 1 39 ILE MD 5.820 . 5.820 3.279 1.816 5.270 . 0 0 "[ . 1 . 2]" 1
417 1 33 GLN H 1 33 GLN HG2 5.050 . 5.050 3.370 2.035 4.602 . 0 0 "[ . 1 . 2]" 1
418 1 33 GLN H 1 33 GLN QG 4.390 . 4.390 2.683 2.017 4.046 . 0 0 "[ . 1 . 2]" 1
419 1 33 GLN H 1 33 GLN HG3 5.050 . 5.050 3.227 2.102 4.486 . 0 0 "[ . 1 . 2]" 1
420 1 33 GLN H 1 34 ALA H 4.430 . 4.430 2.705 2.606 2.808 . 0 0 "[ . 1 . 2]" 1
421 1 33 GLN H 1 34 ALA HA 6.000 . 6.000 5.407 5.327 5.480 . 0 0 "[ . 1 . 2]" 1
422 1 33 GLN H 1 34 ALA MB 5.580 . 5.580 4.316 4.224 4.412 . 0 0 "[ . 1 . 2]" 1
423 1 33 GLN H 1 35 THR H 6.000 . 6.000 4.123 3.838 4.281 . 0 0 "[ . 1 . 2]" 1
424 1 33 GLN H 1 39 ILE MD 6.000 . 6.000 5.429 3.637 6.145 0.145 2 0 "[ . 1 . 2]" 1
425 1 33 GLN H 1 39 ILE QG 6.000 . 6.000 4.679 3.836 6.078 0.078 13 0 "[ . 1 . 2]" 1
426 1 33 GLN HA 1 39 ILE MD 5.810 . 5.810 5.138 3.667 5.893 0.083 1 0 "[ . 1 . 2]" 1
427 1 33 GLN QB 1 34 ALA H 4.940 . 4.940 2.805 2.403 3.585 . 0 0 "[ . 1 . 2]" 1
428 1 33 GLN HB2 1 34 ALA H 5.570 . 5.570 3.237 2.581 4.020 . 0 0 "[ . 1 . 2]" 1
429 1 33 GLN HB3 1 34 ALA H 5.570 . 5.570 3.455 2.436 4.097 . 0 0 "[ . 1 . 2]" 1
430 1 34 ALA H 1 35 THR H 6.000 . 6.000 2.646 2.362 2.776 . 0 0 "[ . 1 . 2]" 1
431 1 34 ALA H 1 35 THR MG 4.990 . 4.990 4.511 3.796 5.513 0.523 3 3 "[ + .- 1 . * 2]" 1
432 1 34 ALA MB 1 35 THR H 4.590 . 4.590 2.648 2.480 2.891 . 0 0 "[ . 1 . 2]" 1
433 1 34 ALA MB 1 36 GLY H 5.960 . 5.960 4.583 4.256 5.219 . 0 0 "[ . 1 . 2]" 1
434 1 35 THR H 1 35 THR MG 4.080 . 4.080 2.643 2.127 3.624 . 0 0 "[ . 1 . 2]" 1
435 1 35 THR H 1 36 GLY H 4.050 . 4.050 2.666 2.363 3.193 . 0 0 "[ . 1 . 2]" 1
436 1 35 THR H 1 36 GLY QA 5.880 . 5.880 4.536 3.884 4.723 . 0 0 "[ . 1 . 2]" 1
437 1 35 THR H 1 39 ILE MD 6.000 . 6.000 5.918 4.489 6.302 0.302 17 0 "[ . 1 . 2]" 1
438 1 35 THR MG 1 36 GLY H 5.200 . 5.200 4.050 3.371 4.509 . 0 0 "[ . 1 . 2]" 1
439 1 36 GLY H 1 37 GLU H 4.540 . 4.540 3.554 2.322 4.466 . 0 0 "[ . 1 . 2]" 1
440 1 37 GLU H 1 38 THR H 5.640 . 5.640 4.231 2.689 4.718 . 0 0 "[ . 1 . 2]" 1
441 1 37 GLU H 1 39 ILE MD 5.390 . 5.390 4.469 2.655 5.425 0.035 6 0 "[ . 1 . 2]" 1
442 1 37 GLU HA 1 38 THR H 4.070 . 4.070 2.727 2.200 3.637 . 0 0 "[ . 1 . 2]" 1
443 1 37 GLU QB 1 38 THR H 4.480 . 4.480 2.789 1.825 3.778 . 0 0 "[ . 1 . 2]" 1
444 1 37 GLU QB 1 39 ILE H 6.000 . 6.000 5.326 3.924 6.226 0.226 7 0 "[ . 1 . 2]" 1
445 1 37 GLU QB 1 39 ILE MD 5.410 . 5.410 3.471 2.045 5.341 . 0 0 "[ . 1 . 2]" 1
446 1 37 GLU HB2 1 38 THR H 5.030 . 5.030 3.465 1.866 4.385 . 0 0 "[ . 1 . 2]" 1
447 1 37 GLU HB2 1 39 ILE MD 6.000 . 6.000 3.887 2.164 6.042 0.042 7 0 "[ . 1 . 2]" 1
448 1 37 GLU HB3 1 38 THR H 5.030 . 5.030 3.146 2.084 4.125 . 0 0 "[ . 1 . 2]" 1
449 1 37 GLU HB3 1 39 ILE MD 6.000 . 6.000 4.231 2.141 6.103 0.103 10 0 "[ . 1 . 2]" 1
450 1 38 THR H 1 38 THR HB 4.280 . 4.280 2.755 2.237 3.586 . 0 0 "[ . 1 . 2]" 1
451 1 38 THR H 1 39 ILE H 5.690 . 5.690 4.378 2.330 4.694 . 0 0 "[ . 1 . 2]" 1
452 1 38 THR H 1 39 ILE MD 6.000 . 6.000 4.092 3.106 5.847 . 0 0 "[ . 1 . 2]" 1
453 1 38 THR HA 1 39 ILE H 3.830 . 3.830 2.367 2.203 3.387 . 0 0 "[ . 1 . 2]" 1
454 1 38 THR HA 1 39 ILE HB 6.000 . 6.000 4.915 4.065 5.819 . 0 0 "[ . 1 . 2]" 1
455 1 38 THR HB 1 39 ILE H 5.380 . 5.380 4.031 3.001 4.277 . 0 0 "[ . 1 . 2]" 1
456 1 38 THR MG 1 39 ILE H 4.720 . 4.720 3.068 2.482 4.394 . 0 0 "[ . 1 . 2]" 1
457 1 38 THR MG 1 39 ILE HB 6.000 . 6.000 5.210 4.536 6.017 0.017 14 0 "[ . 1 . 2]" 1
458 1 39 ILE H 1 39 ILE HB 4.300 . 4.300 2.850 2.211 3.786 . 0 0 "[ . 1 . 2]" 1
459 1 39 ILE H 1 39 ILE MD 5.010 . 5.010 3.195 2.158 4.007 . 0 0 "[ . 1 . 2]" 1
460 1 39 ILE H 1 39 ILE QG 4.480 . 4.480 2.508 2.109 4.024 . 0 0 "[ . 1 . 2]" 1
461 1 39 ILE H 1 40 THR H 5.760 . 5.760 4.487 4.136 4.606 . 0 0 "[ . 1 . 2]" 1
462 1 39 ILE HA 1 39 ILE MD 4.450 . 4.450 2.417 1.860 4.097 . 0 0 "[ . 1 . 2]" 1
463 1 39 ILE HA 1 40 THR H 4.020 . 4.020 2.309 2.174 2.534 . 0 0 "[ . 1 . 2]" 1
464 1 39 ILE HB 1 40 THR H 4.990 . 4.990 3.746 2.576 4.365 . 0 0 "[ . 1 . 2]" 1
465 1 39 ILE HB 1 43 ASP QB 6.000 . 6.000 3.761 1.850 4.476 . 0 0 "[ . 1 . 2]" 1
466 1 39 ILE HB 1 44 ILE H 6.000 . 6.000 4.722 3.466 5.760 . 0 0 "[ . 1 . 2]" 1
467 1 39 ILE HB 1 44 ILE MD 4.750 . 4.750 3.127 2.199 4.147 . 0 0 "[ . 1 . 2]" 1
468 1 39 ILE MD 1 40 THR H 5.000 . 5.000 4.074 3.495 5.214 0.214 8 0 "[ . 1 . 2]" 1
469 1 39 ILE MD 1 43 ASP H 6.000 . 6.000 5.921 4.725 6.222 0.222 17 0 "[ . 1 . 2]" 1
470 1 39 ILE MD 1 43 ASP HB2 6.000 . 6.000 4.518 3.531 5.145 . 0 0 "[ . 1 . 2]" 1
471 1 39 ILE MD 1 43 ASP QB 5.420 . 5.420 3.722 2.552 4.107 . 0 0 "[ . 1 . 2]" 1
472 1 39 ILE MD 1 43 ASP HB3 6.000 . 6.000 3.979 2.618 4.493 . 0 0 "[ . 1 . 2]" 1
473 1 39 ILE MD 1 44 ILE H 6.000 . 6.000 5.501 4.155 6.118 0.118 14 0 "[ . 1 . 2]" 1
474 1 39 ILE QG 1 44 ILE H 6.000 . 6.000 5.333 3.108 6.002 0.002 9 0 "[ . 1 . 2]" 1
475 1 39 ILE QG 1 44 ILE HA 6.000 . 6.000 5.646 3.728 6.212 0.212 19 0 "[ . 1 . 2]" 1
476 1 39 ILE MG 1 40 THR H 4.530 . 4.530 2.623 1.967 3.731 . 0 0 "[ . 1 . 2]" 1
477 1 39 ILE MG 1 42 ASP H 5.270 . 5.270 5.118 3.743 5.444 0.174 13 0 "[ . 1 . 2]" 1
478 1 39 ILE MG 1 42 ASP QB 6.000 . 6.000 5.569 4.517 6.151 0.151 1 0 "[ . 1 . 2]" 1
479 1 39 ILE MG 1 43 ASP HB2 4.650 . 4.650 2.743 2.170 3.424 . 0 0 "[ . 1 . 2]" 1
480 1 39 ILE MG 1 43 ASP HB3 4.650 . 4.650 2.046 1.734 2.812 0.066 14 0 "[ . 1 . 2]" 1
481 1 39 ILE MG 1 44 ILE H 5.150 . 5.150 3.258 2.794 4.455 . 0 0 "[ . 1 . 2]" 1
482 1 40 THR H 1 41 GLU H 5.900 . 5.900 4.313 2.493 4.674 . 0 0 "[ . 1 . 2]" 1
483 1 40 THR H 1 42 ASP H 5.910 . 5.910 4.837 3.881 5.416 . 0 0 "[ . 1 . 2]" 1
484 1 40 THR H 1 43 ASP H 5.270 . 5.270 3.958 2.923 4.617 . 0 0 "[ . 1 . 2]" 1
485 1 40 THR H 1 43 ASP HB2 5.530 . 5.530 3.652 2.202 5.524 . 0 0 "[ . 1 . 2]" 1
486 1 40 THR H 1 43 ASP QB 4.790 . 4.790 3.245 1.853 4.710 . 0 0 "[ . 1 . 2]" 1
487 1 40 THR H 1 43 ASP HB3 5.530 . 5.530 3.704 1.994 5.107 . 0 0 "[ . 1 . 2]" 1
488 1 40 THR H 1 44 ILE H 5.900 . 5.900 4.945 3.756 5.560 . 0 0 "[ . 1 . 2]" 1
489 1 40 THR HA 1 41 GLU H 4.170 . 4.170 2.593 2.311 3.576 . 0 0 "[ . 1 . 2]" 1
490 1 40 THR HA 1 41 GLU QG 6.000 . 6.000 4.186 3.491 5.977 . 0 0 "[ . 1 . 2]" 1
491 1 40 THR HB 1 41 GLU H 4.330 . 4.330 3.073 2.135 4.381 0.051 4 0 "[ . 1 . 2]" 1
492 1 40 THR HB 1 41 GLU QG 6.000 . 6.000 4.841 3.394 6.093 0.093 7 0 "[ . 1 . 2]" 1
493 1 40 THR HB 1 42 ASP H 4.950 . 4.950 3.255 2.686 4.941 . 0 0 "[ . 1 . 2]" 1
494 1 40 THR MG 1 41 GLU H 4.700 . 4.700 3.533 2.239 4.449 . 0 0 "[ . 1 . 2]" 1
495 1 40 THR MG 1 42 ASP H 5.700 . 5.700 4.313 2.375 5.262 . 0 0 "[ . 1 . 2]" 1
496 1 40 THR MG 1 43 ASP H 5.980 . 5.980 4.775 3.216 5.985 0.005 12 0 "[ . 1 . 2]" 1
497 1 41 GLU H 1 41 GLU QG 4.790 . 4.790 2.408 1.887 4.153 . 0 0 "[ . 1 . 2]" 1
498 1 41 GLU H 1 42 ASP H 4.670 . 4.670 2.947 1.922 3.797 . 0 0 "[ . 1 . 2]" 1
499 1 41 GLU H 1 43 ASP H 6.000 . 6.000 4.609 3.444 5.685 . 0 0 "[ . 1 . 2]" 1
500 1 41 GLU H 1 44 ILE MD 5.950 . 5.950 4.265 3.226 5.677 . 0 0 "[ . 1 . 2]" 1
501 1 41 GLU HA 1 43 ASP H 5.970 . 5.970 4.595 4.120 5.292 . 0 0 "[ . 1 . 2]" 1
502 1 41 GLU HA 1 44 ILE H 5.340 . 5.340 3.680 2.918 4.654 . 0 0 "[ . 1 . 2]" 1
503 1 41 GLU HA 1 44 ILE HB 5.310 . 5.310 2.856 1.738 3.889 0.062 19 0 "[ . 1 . 2]" 1
504 1 41 GLU HA 1 44 ILE MD 4.350 . 4.350 2.571 1.780 4.132 0.020 19 0 "[ . 1 . 2]" 1
505 1 41 GLU QB 1 42 ASP H 4.890 . 4.890 2.852 2.120 3.992 . 0 0 "[ . 1 . 2]" 1
506 1 41 GLU QG 1 44 ILE MD 5.790 . 5.790 4.135 1.902 5.854 0.064 20 0 "[ . 1 . 2]" 1
507 1 42 ASP H 1 43 ASP H 4.430 . 4.430 2.802 2.340 3.046 . 0 0 "[ . 1 . 2]" 1
508 1 42 ASP H 1 43 ASP HA 6.000 . 6.000 5.451 4.819 5.669 . 0 0 "[ . 1 . 2]" 1
509 1 42 ASP H 1 44 ILE H 5.710 . 5.710 4.100 2.805 4.608 . 0 0 "[ . 1 . 2]" 1
510 1 42 ASP H 1 44 ILE MD 5.860 . 5.860 5.027 3.719 6.014 0.154 20 0 "[ . 1 . 2]" 1
511 1 42 ASP H 1 45 GLU H 5.840 . 5.840 4.480 3.759 4.789 . 0 0 "[ . 1 . 2]" 1
512 1 42 ASP HA 1 44 ILE H 5.970 . 5.970 4.533 4.275 4.812 . 0 0 "[ . 1 . 2]" 1
513 1 42 ASP HA 1 45 GLU QB 5.260 . 5.260 2.420 1.986 2.859 . 0 0 "[ . 1 . 2]" 1
514 1 42 ASP HA 1 45 GLU QG 5.880 . 5.880 3.915 2.894 4.914 . 0 0 "[ . 1 . 2]" 1
515 1 42 ASP QB 1 43 ASP H 4.220 . 4.220 2.850 2.222 3.451 . 0 0 "[ . 1 . 2]" 1
516 1 42 ASP QB 1 44 ILE H 5.660 . 5.660 4.868 4.502 5.148 . 0 0 "[ . 1 . 2]" 1
517 1 43 ASP H 1 43 ASP HB2 4.390 . 4.390 2.369 2.160 2.567 . 0 0 "[ . 1 . 2]" 1
518 1 43 ASP H 1 43 ASP HB3 4.390 . 4.390 2.655 2.459 3.567 . 0 0 "[ . 1 . 2]" 1
519 1 43 ASP H 1 44 ILE H 4.450 . 4.450 2.696 2.539 2.915 . 0 0 "[ . 1 . 2]" 1
520 1 43 ASP H 1 44 ILE HB 5.980 . 5.980 4.780 4.280 5.075 . 0 0 "[ . 1 . 2]" 1
521 1 43 ASP H 1 45 GLU H 5.580 . 5.580 4.115 4.000 4.317 . 0 0 "[ . 1 . 2]" 1
522 1 43 ASP HA 1 46 GLU HB2 5.590 . 5.590 3.057 2.513 3.951 . 0 0 "[ . 1 . 2]" 1
523 1 43 ASP HA 1 46 GLU QB 4.850 . 4.850 2.898 2.329 3.634 . 0 0 "[ . 1 . 2]" 1
524 1 43 ASP HA 1 46 GLU HB3 5.590 . 5.590 4.143 2.586 5.225 . 0 0 "[ . 1 . 2]" 1
525 1 43 ASP QB 1 44 ILE H 4.750 . 4.750 2.344 2.230 2.515 . 0 0 "[ . 1 . 2]" 1
526 1 43 ASP HB2 1 44 ILE H 5.420 . 5.420 3.584 2.351 3.806 . 0 0 "[ . 1 . 2]" 1
527 1 43 ASP HB3 1 44 ILE H 5.420 . 5.420 2.431 2.250 3.470 . 0 0 "[ . 1 . 2]" 1
528 1 44 ILE H 1 44 ILE HB 4.260 . 4.260 2.488 2.266 2.626 . 0 0 "[ . 1 . 2]" 1
529 1 44 ILE H 1 44 ILE MD 4.510 . 4.510 3.351 2.771 3.523 . 0 0 "[ . 1 . 2]" 1
530 1 44 ILE H 1 44 ILE QG . . 4.490 1.965 1.892 2.098 . 0 0 "[ . 1 . 2]" 1
531 1 44 ILE H 1 45 GLU H 4.550 . 4.550 2.695 2.600 2.779 . 0 0 "[ . 1 . 2]" 1
532 1 44 ILE H 1 46 GLU H 5.800 . 5.800 4.190 3.994 4.509 . 0 0 "[ . 1 . 2]" 1
533 1 44 ILE H 1 47 LEU QB 6.000 . 6.000 4.963 4.649 5.560 . 0 0 "[ . 1 . 2]" 1
534 1 44 ILE HA 1 47 LEU H 5.380 . 5.380 3.579 3.264 3.892 . 0 0 "[ . 1 . 2]" 1
535 1 44 ILE HA 1 47 LEU QB 6.000 . 6.000 2.797 2.532 3.410 . 0 0 "[ . 1 . 2]" 1
536 1 44 ILE HA 1 47 LEU QD 6.000 . 6.000 3.553 3.144 4.706 . 0 0 "[ . 1 . 2]" 1
537 1 44 ILE HA 1 47 LEU HG 5.240 . 5.240 5.193 4.578 5.357 0.117 14 0 "[ . 1 . 2]" 1
538 1 44 ILE HA 1 48 MET H 5.780 . 5.780 4.248 3.913 4.733 . 0 0 "[ . 1 . 2]" 1
539 1 44 ILE HB 1 45 GLU H 4.270 . 4.270 2.434 2.276 2.559 . 0 0 "[ . 1 . 2]" 1
540 1 44 ILE MG 1 45 GLU H 4.740 . 4.740 3.452 3.120 3.640 . 0 0 "[ . 1 . 2]" 1
541 1 44 ILE MG 1 45 GLU HA 4.720 . 4.720 3.706 3.474 3.947 . 0 0 "[ . 1 . 2]" 1
542 1 44 ILE MG 1 45 GLU QG 5.340 . 5.340 4.713 3.478 5.525 0.185 19 0 "[ . 1 . 2]" 1
543 1 44 ILE MG 1 46 GLU H 5.870 . 5.870 5.157 5.006 5.291 . 0 0 "[ . 1 . 2]" 1
544 1 44 ILE MG 1 48 MET QB 5.180 . 5.180 4.049 2.765 4.715 . 0 0 "[ . 1 . 2]" 1
545 1 45 GLU H 1 45 GLU HG2 4.920 . 4.920 3.959 2.174 4.514 . 0 0 "[ . 1 . 2]" 1
546 1 45 GLU H 1 45 GLU QG 4.240 . 4.240 3.411 2.101 3.946 . 0 0 "[ . 1 . 2]" 1
547 1 45 GLU H 1 45 GLU HG3 4.920 . 4.920 3.867 2.121 4.404 . 0 0 "[ . 1 . 2]" 1
548 1 45 GLU H 1 46 GLU H 4.580 . 4.580 2.800 2.660 2.926 . 0 0 "[ . 1 . 2]" 1
549 1 45 GLU HA 1 48 MET QB 5.000 . 5.000 2.571 1.954 4.269 . 0 0 "[ . 1 . 2]" 1
550 1 45 GLU HA 1 49 LYS H 5.450 . 5.450 3.894 3.386 4.343 . 0 0 "[ . 1 . 2]" 1
551 1 45 GLU QB 1 46 GLU H 4.640 . 4.640 2.540 2.383 2.752 . 0 0 "[ . 1 . 2]" 1
552 1 45 GLU QG 1 46 GLU H 5.820 . 5.820 4.005 2.609 4.519 . 0 0 "[ . 1 . 2]" 1
553 1 46 GLU H 1 47 LEU H 4.610 . 4.610 2.735 2.609 2.885 . 0 0 "[ . 1 . 2]" 1
554 1 46 GLU H 1 49 LYS QD 6.000 . 6.000 4.995 4.311 5.870 . 0 0 "[ . 1 . 2]" 1
555 1 46 GLU HA 1 49 LYS H 5.070 . 5.070 3.410 2.884 3.835 . 0 0 "[ . 1 . 2]" 1
556 1 46 GLU HA 1 49 LYS QB 4.510 . 4.510 2.772 2.093 4.184 . 0 0 "[ . 1 . 2]" 1
557 1 46 GLU HB2 1 47 LEU H 5.460 . 5.460 2.905 2.465 3.933 . 0 0 "[ . 1 . 2]" 1
558 1 46 GLU HB3 1 47 LEU H 5.460 . 5.460 3.307 2.389 3.793 . 0 0 "[ . 1 . 2]" 1
559 1 46 GLU QG 1 47 LEU H 5.750 . 5.750 4.046 3.521 4.330 . 0 0 "[ . 1 . 2]" 1
560 1 46 GLU QG 1 49 LYS QB 6.000 . 6.000 4.809 3.532 5.823 . 0 0 "[ . 1 . 2]" 1
561 1 46 GLU QG 1 49 LYS QD 5.550 . 5.550 4.346 3.654 5.228 . 0 0 "[ . 1 . 2]" 1
562 1 46 GLU HG2 1 49 LYS QD 6.000 . 6.000 4.829 3.816 6.170 0.170 15 0 "[ . 1 . 2]" 1
563 1 46 GLU HG3 1 49 LYS QD 6.000 . 6.000 5.082 3.993 6.237 0.237 12 0 "[ . 1 . 2]" 1
564 1 47 LEU H 1 47 LEU MD1 5.530 . 5.530 4.082 3.994 4.179 . 0 0 "[ . 1 . 2]" 1
565 1 47 LEU H 1 47 LEU QD 4.900 . 4.900 3.671 3.605 3.724 . 0 0 "[ . 1 . 2]" 1
566 1 47 LEU H 1 47 LEU MD2 5.530 . 5.530 4.168 3.951 4.257 . 0 0 "[ . 1 . 2]" 1
567 1 47 LEU H 1 47 LEU HG 5.570 . 5.570 4.438 4.288 4.561 . 0 0 "[ . 1 . 2]" 1
568 1 47 LEU QD 1 48 MET H 5.330 . 5.330 3.509 2.797 3.967 . 0 0 "[ . 1 . 2]" 1
569 1 47 LEU QD 1 48 MET HA 4.310 . 4.310 3.703 2.605 4.416 0.106 5 0 "[ . 1 . 2]" 1
570 1 47 LEU QD 1 48 MET QB 5.050 . 5.050 4.435 3.677 5.114 0.064 5 0 "[ . 1 . 2]" 1
571 1 47 LEU QD 1 48 MET QG 4.670 . 4.670 3.572 2.265 4.849 0.179 14 0 "[ . 1 . 2]" 1
572 1 47 LEU QD 1 49 LYS H 5.890 . 5.890 5.069 4.410 5.503 . 0 0 "[ . 1 . 2]" 1
573 1 47 LEU QD 1 50 ASP H 5.750 . 5.750 4.659 3.856 5.310 . 0 0 "[ . 1 . 2]" 1
574 1 47 LEU QD 1 51 GLY H 6.000 . 6.000 4.809 3.693 5.546 . 0 0 "[ . 1 . 2]" 1
575 1 47 LEU QD 1 67 PHE QD 4.550 . 4.550 3.739 2.973 4.413 . 0 0 "[ . 1 . 2]" 1
576 1 47 LEU QD 1 67 PHE QE 4.380 . 4.380 2.923 2.051 3.565 . 0 0 "[ . 1 . 2]" 1
577 1 47 LEU QD 1 67 PHE HZ 4.990 . 4.990 3.912 2.522 4.979 . 0 0 "[ . 1 . 2]" 1
578 1 47 LEU HG 1 48 MET H 4.560 . 4.560 4.102 3.539 4.680 0.120 20 0 "[ . 1 . 2]" 1
579 1 48 MET H 1 48 MET HG2 5.300 . 5.300 3.209 1.840 4.603 . 0 0 "[ . 1 . 2]" 1
580 1 48 MET H 1 48 MET HG3 5.300 . 5.300 2.688 2.162 4.368 . 0 0 "[ . 1 . 2]" 1
581 1 48 MET HA 1 48 MET ME 5.590 . 5.590 3.824 3.085 4.512 . 0 0 "[ . 1 . 2]" 1
582 1 48 MET HA 1 50 ASP H 4.910 . 4.910 4.327 4.111 4.590 . 0 0 "[ . 1 . 2]" 1
583 1 48 MET HA 1 59 ILE MD 4.840 . 4.840 2.064 1.788 2.520 0.012 11 0 "[ . 1 . 2]" 1
584 1 48 MET HA 1 67 PHE QD 6.000 . 6.000 5.739 5.055 6.091 0.091 17 0 "[ . 1 . 2]" 1
585 1 48 MET HA 1 67 PHE HZ 4.840 . 4.840 2.616 1.974 2.957 . 0 0 "[ . 1 . 2]" 1
586 1 48 MET QB 1 49 LYS H 4.680 . 4.680 2.647 2.303 3.472 . 0 0 "[ . 1 . 2]" 1
587 1 48 MET QB 1 50 ASP H 6.000 . 6.000 4.787 4.509 5.269 . 0 0 "[ . 1 . 2]" 1
588 1 48 MET QB 1 67 PHE HZ 5.990 . 5.990 4.474 3.541 4.915 . 0 0 "[ . 1 . 2]" 1
589 1 48 MET ME 1 52 ASP HB2 5.880 . 5.880 4.034 2.755 5.435 . 0 0 "[ . 1 . 2]" 1
590 1 48 MET ME 1 57 GLY H 6.000 . 6.000 4.672 3.329 5.915 . 0 0 "[ . 1 . 2]" 1
591 1 48 MET ME 1 58 ARG H 5.740 . 5.740 4.045 2.897 5.346 . 0 0 "[ . 1 . 2]" 1
592 1 48 MET ME 1 58 ARG HA 4.730 . 4.730 2.564 1.789 3.824 0.011 16 0 "[ . 1 . 2]" 1
593 1 48 MET ME 1 59 ILE H 5.400 . 5.400 3.186 2.226 5.037 . 0 0 "[ . 1 . 2]" 1
594 1 48 MET ME 1 59 ILE MD 5.170 . 5.170 2.869 1.833 4.429 . 0 0 "[ . 1 . 2]" 1
595 1 48 MET ME 1 59 ILE QG 4.880 . 4.880 2.433 1.760 4.271 0.040 13 0 "[ . 1 . 2]" 1
596 1 48 MET QG 1 49 LYS H 5.630 . 5.630 3.882 1.898 4.222 . 0 0 "[ . 1 . 2]" 1
597 1 48 MET QG 1 50 ASP H 6.000 . 6.000 5.546 4.563 5.889 . 0 0 "[ . 1 . 2]" 1
598 1 48 MET QG 1 52 ASP H 6.000 . 6.000 5.429 3.301 6.125 0.125 16 0 "[ . 1 . 2]" 1
599 1 48 MET HG2 1 49 LYS H 6.000 . 6.000 4.634 2.487 5.052 . 0 0 "[ . 1 . 2]" 1
600 1 48 MET HG3 1 49 LYS H 6.000 . 6.000 4.258 1.904 4.989 . 0 0 "[ . 1 . 2]" 1
601 1 49 LYS H 1 49 LYS QB 3.810 . 3.810 2.332 2.077 2.539 . 0 0 "[ . 1 . 2]" 1
602 1 49 LYS H 1 49 LYS QD 6.000 . 6.000 3.954 2.665 4.730 . 0 0 "[ . 1 . 2]" 1
603 1 49 LYS H 1 49 LYS QE 6.000 . 6.000 4.615 3.678 5.262 . 0 0 "[ . 1 . 2]" 1
604 1 49 LYS H 1 49 LYS HG2 5.410 . 5.410 3.462 1.987 4.478 . 0 0 "[ . 1 . 2]" 1
605 1 49 LYS H 1 49 LYS QG 4.690 . 4.690 2.676 1.974 3.961 . 0 0 "[ . 1 . 2]" 1
606 1 49 LYS H 1 49 LYS HG3 5.410 . 5.410 3.027 2.159 4.500 . 0 0 "[ . 1 . 2]" 1
607 1 49 LYS H 1 50 ASP H 4.540 . 4.540 2.859 2.752 3.006 . 0 0 "[ . 1 . 2]" 1
608 1 49 LYS H 1 50 ASP HB2 5.920 . 5.920 4.985 4.683 5.342 . 0 0 "[ . 1 . 2]" 1
609 1 49 LYS H 1 51 GLY H 5.510 . 5.510 4.499 4.207 4.679 . 0 0 "[ . 1 . 2]" 1
610 1 49 LYS H 1 52 ASP H 6.000 . 6.000 4.698 4.420 5.584 . 0 0 "[ . 1 . 2]" 1
611 1 49 LYS H 1 52 ASP HB3 6.000 . 6.000 4.990 4.275 5.593 . 0 0 "[ . 1 . 2]" 1
612 1 49 LYS HA 1 49 LYS QE 5.530 . 5.530 4.653 4.138 5.586 0.056 16 0 "[ . 1 . 2]" 1
613 1 49 LYS HA 1 52 ASP H 4.810 . 4.810 3.470 2.745 3.815 . 0 0 "[ . 1 . 2]" 1
614 1 49 LYS HA 1 52 ASP HB2 5.740 . 5.740 3.697 2.346 4.465 . 0 0 "[ . 1 . 2]" 1
615 1 49 LYS HA 1 52 ASP HB3 5.520 . 5.520 3.023 2.289 3.858 . 0 0 "[ . 1 . 2]" 1
616 1 49 LYS QB 1 50 ASP H 4.600 . 4.600 2.781 2.433 3.761 . 0 0 "[ . 1 . 2]" 1
617 1 49 LYS HB2 1 50 ASP H 5.300 . 5.300 3.211 2.477 4.172 . 0 0 "[ . 1 . 2]" 1
618 1 49 LYS HB2 1 51 GLY H 6.000 . 6.000 5.434 4.926 5.972 . 0 0 "[ . 1 . 2]" 1
619 1 49 LYS HB3 1 50 ASP H 5.300 . 5.300 3.451 2.538 4.274 . 0 0 "[ . 1 . 2]" 1
620 1 49 LYS HB3 1 51 GLY H 6.000 . 6.000 5.524 5.108 6.018 0.018 16 0 "[ . 1 . 2]" 1
621 1 49 LYS QG 1 50 ASP H 4.980 . 4.980 3.798 1.879 4.612 . 0 0 "[ . 1 . 2]" 1
622 1 49 LYS QG 1 52 ASP HB3 5.800 . 5.800 4.735 3.735 5.890 0.090 16 0 "[ . 1 . 2]" 1
623 1 50 ASP H 1 50 ASP HB2 4.240 . 4.240 2.355 2.064 2.558 . 0 0 "[ . 1 . 2]" 1
624 1 50 ASP H 1 50 ASP HB3 4.180 . 4.180 2.982 2.546 3.590 . 0 0 "[ . 1 . 2]" 1
625 1 50 ASP H 1 51 GLY H 4.450 . 4.450 2.802 2.675 2.944 . 0 0 "[ . 1 . 2]" 1
626 1 50 ASP H 1 52 ASP H 5.930 . 5.930 4.153 3.928 4.386 . 0 0 "[ . 1 . 2]" 1
627 1 50 ASP H 1 59 ILE MD 6.000 . 6.000 5.157 4.528 6.040 0.040 9 0 "[ . 1 . 2]" 1
628 1 50 ASP H 1 67 PHE HZ 5.440 . 5.440 4.634 3.932 5.196 . 0 0 "[ . 1 . 2]" 1
629 1 50 ASP HB2 1 51 GLY H 4.900 . 4.900 3.390 2.516 3.888 . 0 0 "[ . 1 . 2]" 1
630 1 50 ASP HB2 1 52 ASP H 6.000 . 6.000 5.492 4.673 6.091 0.091 4 0 "[ . 1 . 2]" 1
631 1 50 ASP HB2 1 67 PHE QD 6.000 . 6.000 4.711 3.489 6.024 0.024 3 0 "[ . 1 . 2]" 1
632 1 50 ASP HB2 1 67 PHE QE 5.430 . 5.430 3.457 1.825 4.742 . 0 0 "[ . 1 . 2]" 1
633 1 50 ASP HB2 1 67 PHE HZ 5.970 . 5.970 5.018 3.552 6.037 0.067 1 0 "[ . 1 . 2]" 1
634 1 50 ASP HB3 1 51 GLY H 5.670 . 5.670 2.892 2.394 3.697 . 0 0 "[ . 1 . 2]" 1
635 1 50 ASP HB3 1 67 PHE QE 5.210 . 5.210 2.880 1.800 3.761 . 12 0 "[ . 1 . 2]" 1
636 1 50 ASP HB3 1 67 PHE HZ 5.140 . 5.140 4.479 3.442 5.202 0.062 11 0 "[ . 1 . 2]" 1
637 1 51 GLY H 1 52 ASP H 4.480 . 4.480 2.381 2.053 2.841 . 0 0 "[ . 1 . 2]" 1
638 1 51 GLY H 1 52 ASP HA 6.000 . 6.000 4.964 4.587 5.353 . 0 0 "[ . 1 . 2]" 1
639 1 51 GLY H 1 52 ASP HB2 5.940 . 5.940 4.351 3.977 4.905 . 0 0 "[ . 1 . 2]" 1
640 1 51 GLY H 1 59 ILE MD 5.100 . 5.100 3.724 2.909 4.681 . 0 0 "[ . 1 . 2]" 1
641 1 51 GLY H 1 59 ILE MG 6.000 . 6.000 5.009 4.230 5.833 . 0 0 "[ . 1 . 2]" 1
642 1 51 GLY H 1 67 PHE QE 5.460 . 5.460 2.900 2.343 3.409 . 0 0 "[ . 1 . 2]" 1
643 1 51 GLY H 1 67 PHE HZ 5.250 . 5.250 2.652 2.330 3.377 . 0 0 "[ . 1 . 2]" 1
644 1 51 GLY QA 1 59 ILE MD 5.020 . 5.020 3.501 2.445 4.584 . 0 0 "[ . 1 . 2]" 1
645 1 51 GLY QA 1 67 PHE HZ 5.400 . 5.400 2.819 2.208 3.529 . 0 0 "[ . 1 . 2]" 1
646 1 51 GLY HA2 1 67 PHE QE 5.030 . 5.030 3.922 3.181 4.399 . 0 0 "[ . 1 . 2]" 1
647 1 51 GLY HA3 1 67 PHE QE 5.030 . 5.030 2.688 2.149 3.140 . 0 0 "[ . 1 . 2]" 1
648 1 52 ASP H 1 52 ASP HB2 4.300 . 4.300 2.375 2.070 2.648 . 0 0 "[ . 1 . 2]" 1
649 1 52 ASP H 1 52 ASP HB3 4.260 . 4.260 2.744 2.514 3.520 . 0 0 "[ . 1 . 2]" 1
650 1 52 ASP H 1 53 LYS H 5.540 . 5.540 4.074 3.431 4.666 . 0 0 "[ . 1 . 2]" 1
651 1 52 ASP H 1 59 ILE MD 4.800 . 4.800 3.303 2.303 4.354 . 0 0 "[ . 1 . 2]" 1
652 1 52 ASP H 1 59 ILE MG 5.550 . 5.550 4.551 3.691 5.584 0.034 16 0 "[ . 1 . 2]" 1
653 1 52 ASP H 1 63 GLU QB 6.000 . 6.000 4.424 3.788 5.088 . 0 0 "[ . 1 . 2]" 1
654 1 52 ASP HA 1 53 LYS H 4.170 . 4.170 2.353 2.130 2.664 . 0 0 "[ . 1 . 2]" 1
655 1 52 ASP HA 1 59 ILE MD 5.710 . 5.710 3.587 2.422 4.878 . 0 0 "[ . 1 . 2]" 1
656 1 52 ASP HB2 1 53 LYS H 6.000 . 6.000 4.600 4.236 4.716 . 0 0 "[ . 1 . 2]" 1
657 1 52 ASP HB2 1 57 GLY H 5.890 . 5.890 4.877 4.231 5.941 0.051 5 0 "[ . 1 . 2]" 1
658 1 52 ASP HB2 1 59 ILE MD 5.610 . 5.610 2.722 1.792 4.245 0.008 4 0 "[ . 1 . 2]" 1
659 1 52 ASP HB2 1 59 ILE QG . . 5.430 3.598 2.148 4.500 . 0 0 "[ . 1 . 2]" 1
660 1 52 ASP HB3 1 53 LYS H 5.830 . 5.830 4.308 3.853 4.427 . 0 0 "[ . 1 . 2]" 1
661 1 52 ASP HB3 1 59 ILE MD 6.000 . 6.000 4.107 3.274 5.387 . 0 0 "[ . 1 . 2]" 1
662 1 52 ASP HB3 1 59 ILE QG 6.000 . 6.000 5.064 3.741 6.027 0.027 10 0 "[ . 1 . 2]" 1
663 1 53 LYS H 1 53 LYS QD 5.670 . 5.670 3.847 3.002 4.385 . 0 0 "[ . 1 . 2]" 1
664 1 53 LYS H 1 54 ASN H 4.220 . 4.220 2.953 2.473 4.383 0.163 15 0 "[ . 1 . 2]" 1
665 1 53 LYS H 1 59 ILE MD 5.870 . 5.870 5.258 4.133 6.021 0.151 20 0 "[ . 1 . 2]" 1
666 1 53 LYS H 1 59 ILE MG 6.000 . 6.000 5.282 4.376 6.083 0.083 2 0 "[ . 1 . 2]" 1
667 1 53 LYS H 1 63 GLU QB 5.920 . 5.920 3.500 2.500 4.917 . 0 0 "[ . 1 . 2]" 1
668 1 53 LYS H 1 63 GLU QG 5.830 . 5.830 2.986 1.847 4.714 . 0 0 "[ . 1 . 2]" 1
669 1 53 LYS HA 1 53 LYS QD 4.990 . 4.990 3.421 1.934 4.408 . 0 0 "[ . 1 . 2]" 1
670 1 53 LYS QB 1 54 ASN H 4.490 . 4.490 2.904 2.387 3.614 . 0 0 "[ . 1 . 2]" 1
671 1 53 LYS QB 1 63 GLU QG 5.910 . 5.910 3.542 2.152 5.791 . 0 0 "[ . 1 . 2]" 1
672 1 53 LYS QG 1 54 ASN H 5.620 . 5.620 3.848 2.074 4.474 . 0 0 "[ . 1 . 2]" 1
673 1 54 ASN H 1 55 ASN H 4.200 . 4.200 2.970 2.465 4.372 0.172 11 0 "[ . 1 . 2]" 1
674 1 54 ASN H 1 55 ASN HA 5.740 . 5.740 4.911 4.667 5.248 . 0 0 "[ . 1 . 2]" 1
675 1 54 ASN H 1 55 ASN QB 6.000 . 6.000 5.140 4.678 6.034 0.034 11 0 "[ . 1 . 2]" 1
676 1 54 ASN H 1 56 ASP H 5.440 . 5.440 4.196 3.556 5.134 . 0 0 "[ . 1 . 2]" 1
677 1 54 ASN H 1 56 ASP QB 6.000 . 6.000 5.104 4.190 6.059 0.059 12 0 "[ . 1 . 2]" 1
678 1 54 ASN HB2 1 55 ASN H 5.490 . 5.490 4.050 2.864 4.601 . 0 0 "[ . 1 . 2]" 1
679 1 54 ASN HB3 1 55 ASN H 5.490 . 5.490 3.642 2.138 4.421 . 0 0 "[ . 1 . 2]" 1
680 1 55 ASN H 1 56 ASP H 4.260 . 4.260 2.862 2.450 4.259 . 0 0 "[ . 1 . 2]" 1
681 1 55 ASN HA 1 56 ASP H 4.240 . 4.240 2.778 2.216 3.152 . 0 0 "[ . 1 . 2]" 1
682 1 55 ASN HA 1 57 GLY H 4.730 . 4.730 3.322 3.006 3.811 . 0 0 "[ . 1 . 2]" 1
683 1 56 ASP H 1 57 GLY H 4.230 . 4.230 2.565 2.118 2.969 . 0 0 "[ . 1 . 2]" 1
684 1 56 ASP H 1 57 GLY QA 6.000 . 6.000 4.503 4.161 4.842 . 0 0 "[ . 1 . 2]" 1
685 1 56 ASP QB 1 57 GLY H 5.100 . 5.100 3.872 3.530 4.087 . 0 0 "[ . 1 . 2]" 1
686 1 56 ASP HB2 1 57 GLY H 5.690 . 5.690 4.284 3.837 4.569 . 0 0 "[ . 1 . 2]" 1
687 1 56 ASP HB3 1 57 GLY H 5.690 . 5.690 4.420 4.124 4.606 . 0 0 "[ . 1 . 2]" 1
688 1 57 GLY H 1 58 ARG H 4.180 . 4.180 2.778 2.507 3.400 . 0 0 "[ . 1 . 2]" 1
689 1 57 GLY H 1 58 ARG QG 5.860 . 5.860 4.686 3.828 5.193 . 0 0 "[ . 1 . 2]" 1
690 1 58 ARG H 1 58 ARG QD 5.780 . 5.780 4.303 2.697 4.842 . 0 0 "[ . 1 . 2]" 1
691 1 58 ARG H 1 58 ARG QG 4.700 . 4.700 2.670 2.150 3.159 . 0 0 "[ . 1 . 2]" 1
692 1 58 ARG H 1 59 ILE H 5.570 . 5.570 4.432 4.232 4.579 . 0 0 "[ . 1 . 2]" 1
693 1 58 ARG HA 1 59 ILE H 4.300 . 4.300 2.397 2.271 2.548 . 0 0 "[ . 1 . 2]" 1
694 1 58 ARG QB 1 59 ILE H 4.370 . 4.370 2.825 2.328 3.302 . 0 0 "[ . 1 . 2]" 1
695 1 58 ARG QD 1 59 ILE H 6.000 . 6.000 4.982 3.896 5.604 . 0 0 "[ . 1 . 2]" 1
696 1 58 ARG QG 1 59 ILE H 5.910 . 5.910 4.113 3.204 4.726 . 0 0 "[ . 1 . 2]" 1
697 1 59 ILE H 1 59 ILE MD 5.460 . 5.460 3.543 3.115 3.973 . 0 0 "[ . 1 . 2]" 1
698 1 59 ILE H 1 59 ILE QG 4.680 . 4.680 2.399 2.202 2.687 . 0 0 "[ . 1 . 2]" 1
699 1 59 ILE HA 1 60 ASP H 4.210 . 4.210 2.145 2.076 2.260 . 0 0 "[ . 1 . 2]" 1
700 1 59 ILE HB 1 60 ASP H 5.820 . 5.820 4.278 4.186 4.360 . 0 0 "[ . 1 . 2]" 1
701 1 59 ILE HB 1 64 PHE H 6.000 . 6.000 5.190 4.722 5.824 . 0 0 "[ . 1 . 2]" 1
702 1 59 ILE HB 1 64 PHE QD 5.350 . 5.350 4.121 3.244 5.039 . 0 0 "[ . 1 . 2]" 1
703 1 59 ILE MD 1 59 ILE MG 3.980 . 3.980 1.839 1.730 2.009 0.070 5 0 "[ . 1 . 2]" 1
704 1 59 ILE MD 1 60 ASP H 6.000 . 6.000 4.353 3.511 5.348 . 0 0 "[ . 1 . 2]" 1
705 1 59 ILE MD 1 64 PHE H 6.000 . 6.000 5.001 4.611 5.726 . 0 0 "[ . 1 . 2]" 1
706 1 59 ILE MD 1 64 PHE QD 5.080 . 5.080 4.291 2.879 5.138 0.058 3 0 "[ . 1 . 2]" 1
707 1 59 ILE MD 1 67 PHE QD 5.720 . 5.720 4.318 3.580 4.920 . 0 0 "[ . 1 . 2]" 1
708 1 59 ILE MD 1 67 PHE QE 5.040 . 5.040 2.491 1.879 3.124 . 0 0 "[ . 1 . 2]" 1
709 1 59 ILE MD 1 67 PHE HZ 5.010 . 5.010 2.271 1.895 2.840 . 0 0 "[ . 1 . 2]" 1
710 1 59 ILE QG 1 60 ASP H 6.000 . 6.000 4.615 4.173 4.870 . 0 0 "[ . 1 . 2]" 1
711 1 59 ILE QG 1 64 PHE QD 6.000 . 6.000 4.658 3.478 6.079 0.079 8 0 "[ . 1 . 2]" 1
712 1 59 ILE QG 1 67 PHE QE 5.340 . 5.340 3.475 1.979 4.675 . 0 0 "[ . 1 . 2]" 1
713 1 59 ILE QG 1 67 PHE HZ 5.280 . 5.280 3.423 2.671 4.373 . 0 0 "[ . 1 . 2]" 1
714 1 59 ILE MG 1 60 ASP H 4.910 . 4.910 3.041 2.905 3.297 . 0 0 "[ . 1 . 2]" 1
715 1 59 ILE MG 1 61 TYR HA 5.980 . 5.980 4.368 3.867 4.793 . 0 0 "[ . 1 . 2]" 1
716 1 59 ILE MG 1 62 ASP H 6.000 . 6.000 5.552 5.275 5.931 . 0 0 "[ . 1 . 2]" 1
717 1 59 ILE MG 1 63 GLU QB 4.290 . 4.290 2.105 1.781 2.526 0.019 7 0 "[ . 1 . 2]" 1
718 1 59 ILE MG 1 64 PHE H 4.730 . 4.730 2.625 2.190 3.119 . 0 0 "[ . 1 . 2]" 1
719 1 59 ILE MG 1 64 PHE HA 4.650 . 4.650 2.557 2.216 3.173 . 0 0 "[ . 1 . 2]" 1
720 1 59 ILE MG 1 64 PHE HB2 5.190 . 5.190 2.363 1.964 3.209 . 0 0 "[ . 1 . 2]" 1
721 1 59 ILE MG 1 64 PHE HB3 5.700 . 5.700 3.737 3.380 4.538 . 0 0 "[ . 1 . 2]" 1
722 1 59 ILE MG 1 64 PHE QD 4.290 . 4.290 2.500 1.866 3.211 . 0 0 "[ . 1 . 2]" 1
723 1 59 ILE MG 1 64 PHE QE 5.880 . 5.880 4.387 3.675 4.926 . 0 0 "[ . 1 . 2]" 1
724 1 59 ILE MG 1 67 PHE QE 5.250 . 5.250 1.994 1.753 2.529 0.047 5 0 "[ . 1 . 2]" 1
725 1 60 ASP H 1 61 TYR H 6.000 . 6.000 4.568 4.475 4.674 . 0 0 "[ . 1 . 2]" 1
726 1 60 ASP H 1 62 ASP H 6.000 . 6.000 5.134 4.829 5.486 . 0 0 "[ . 1 . 2]" 1
727 1 60 ASP H 1 63 GLU H 5.480 . 5.480 3.438 3.080 3.800 . 0 0 "[ . 1 . 2]" 1
728 1 60 ASP H 1 63 GLU HA 6.000 . 6.000 4.888 4.685 5.095 . 0 0 "[ . 1 . 2]" 1
729 1 60 ASP H 1 63 GLU QB 4.840 . 4.840 2.049 1.924 2.246 . 0 0 "[ . 1 . 2]" 1
730 1 60 ASP H 1 63 GLU QG 5.480 . 5.480 2.829 2.300 3.159 . 0 0 "[ . 1 . 2]" 1
731 1 60 ASP HA 1 62 ASP H 5.920 . 5.920 4.496 4.146 4.762 . 0 0 "[ . 1 . 2]" 1
732 1 60 ASP QB 1 61 TYR H 4.250 . 4.250 3.101 2.518 3.534 . 0 0 "[ . 1 . 2]" 1
733 1 60 ASP QB 1 62 ASP H 5.440 . 5.440 3.133 2.490 3.761 . 0 0 "[ . 1 . 2]" 1
734 1 60 ASP HB2 1 61 TYR H 4.920 . 4.920 3.848 2.553 4.230 . 0 0 "[ . 1 . 2]" 1
735 1 60 ASP HB3 1 61 TYR H 4.920 . 4.920 3.397 2.707 3.913 . 0 0 "[ . 1 . 2]" 1
736 1 61 TYR H 1 61 TYR QD 5.340 . 5.340 4.134 3.691 4.200 . 0 0 "[ . 1 . 2]" 1
737 1 61 TYR H 1 62 ASP H 4.850 . 4.850 2.848 2.700 3.051 . 0 0 "[ . 1 . 2]" 1
738 1 61 TYR H 1 62 ASP HA 6.000 . 6.000 5.530 5.428 5.685 . 0 0 "[ . 1 . 2]" 1
739 1 61 TYR H 1 63 GLU H 5.630 . 5.630 4.225 4.092 4.371 . 0 0 "[ . 1 . 2]" 1
740 1 61 TYR HA 1 61 TYR QE 5.930 . 5.930 4.517 4.262 4.789 . 0 0 "[ . 1 . 2]" 1
741 1 61 TYR HA 1 63 GLU H 6.000 . 6.000 4.487 4.261 4.733 . 0 0 "[ . 1 . 2]" 1
742 1 61 TYR HA 1 64 PHE H 5.160 . 5.160 3.421 3.134 3.752 . 0 0 "[ . 1 . 2]" 1
743 1 61 TYR HA 1 64 PHE HB2 5.120 . 5.120 3.004 2.497 3.568 . 0 0 "[ . 1 . 2]" 1
744 1 61 TYR HA 1 65 LEU MD2 6.000 . 6.000 4.698 4.111 5.012 . 0 0 "[ . 1 . 2]" 1
745 1 61 TYR QB 1 62 ASP H 4.440 . 4.440 2.423 2.280 2.615 . 0 0 "[ . 1 . 2]" 1
746 1 61 TYR HB2 1 62 ASP H 5.140 . 5.140 3.794 3.290 3.962 . 0 0 "[ . 1 . 2]" 1
747 1 61 TYR HB3 1 62 ASP H 5.140 . 5.140 2.453 2.300 2.653 . 0 0 "[ . 1 . 2]" 1
748 1 61 TYR QD 1 62 ASP H 5.010 . 5.010 3.439 2.878 4.260 . 0 0 "[ . 1 . 2]" 1
749 1 61 TYR QD 1 62 ASP HA 5.280 . 5.280 3.686 2.992 4.642 . 0 0 "[ . 1 . 2]" 1
750 1 61 TYR QD 1 63 GLU H 6.000 . 6.000 5.504 5.139 5.766 . 0 0 "[ . 1 . 2]" 1
751 1 61 TYR QD 1 64 PHE H 6.000 . 6.000 5.212 4.580 5.642 . 0 0 "[ . 1 . 2]" 1
752 1 61 TYR QD 1 65 LEU H 6.000 . 6.000 4.810 4.181 5.117 . 0 0 "[ . 1 . 2]" 1
753 1 61 TYR QD 1 65 LEU MD1 5.400 . 5.400 3.054 2.275 3.733 . 0 0 "[ . 1 . 2]" 1
754 1 61 TYR QD 1 65 LEU MD2 5.070 . 5.070 3.696 2.993 4.172 . 0 0 "[ . 1 . 2]" 1
755 1 61 TYR QD 1 65 LEU HG 5.400 . 5.400 3.714 2.840 4.096 . 0 0 "[ . 1 . 2]" 1
756 1 61 TYR QE 1 65 LEU H 6.000 . 6.000 5.441 4.958 5.765 . 0 0 "[ . 1 . 2]" 1
757 1 61 TYR QE 1 65 LEU HA 6.000 . 6.000 5.648 4.938 6.216 0.216 5 0 "[ . 1 . 2]" 1
758 1 61 TYR QE 1 65 LEU MD1 4.320 . 4.320 2.628 1.957 4.398 0.078 2 0 "[ . 1 . 2]" 1
759 1 61 TYR QE 1 65 LEU MD2 4.540 . 4.540 2.822 2.186 3.292 . 0 0 "[ . 1 . 2]" 1
760 1 61 TYR QE 1 65 LEU HG 5.260 . 5.260 3.966 3.571 4.528 . 0 0 "[ . 1 . 2]" 1
761 1 62 ASP H 1 62 ASP HB2 4.360 . 4.360 2.366 2.023 3.028 . 0 0 "[ . 1 . 2]" 1
762 1 62 ASP H 1 62 ASP QB 3.910 . 3.910 2.196 1.997 2.400 . 0 0 "[ . 1 . 2]" 1
763 1 62 ASP H 1 62 ASP HB3 4.360 . 4.360 2.838 2.110 3.581 . 0 0 "[ . 1 . 2]" 1
764 1 62 ASP H 1 63 GLU H 4.400 . 4.400 2.756 2.688 2.850 . 0 0 "[ . 1 . 2]" 1
765 1 62 ASP H 1 63 GLU QG 5.800 . 5.800 4.353 4.127 4.705 . 0 0 "[ . 1 . 2]" 1
766 1 62 ASP H 1 64 PHE H 5.560 . 5.560 4.068 3.969 4.202 . 0 0 "[ . 1 . 2]" 1
767 1 62 ASP H 1 65 LEU MD1 6.000 . 6.000 4.269 3.841 4.887 . 0 0 "[ . 1 . 2]" 1
768 1 62 ASP H 1 65 LEU MD2 6.000 . 6.000 5.585 4.928 5.946 . 0 0 "[ . 1 . 2]" 1
769 1 62 ASP H 1 65 LEU HG 6.000 . 6.000 4.483 4.162 4.846 . 0 0 "[ . 1 . 2]" 1
770 1 62 ASP HA 1 65 LEU QB 5.490 . 5.490 3.049 2.444 3.932 . 0 0 "[ . 1 . 2]" 1
771 1 62 ASP HA 1 65 LEU MD1 4.890 . 4.890 2.193 1.875 3.222 . 0 0 "[ . 1 . 2]" 1
772 1 62 ASP HA 1 65 LEU HG 5.960 . 5.960 2.773 2.129 3.527 . 0 0 "[ . 1 . 2]" 1
773 1 62 ASP QB 1 63 GLU H 4.370 . 4.370 2.542 2.368 2.917 . 0 0 "[ . 1 . 2]" 1
774 1 62 ASP HB2 1 63 GLU H 4.860 . 4.860 3.492 2.642 4.164 . 0 0 "[ . 1 . 2]" 1
775 1 62 ASP HB3 1 63 GLU H 4.860 . 4.860 2.808 2.403 3.727 . 0 0 "[ . 1 . 2]" 1
776 1 63 GLU H 1 63 GLU QG 4.490 . 4.490 2.224 2.058 2.420 . 0 0 "[ . 1 . 2]" 1
777 1 63 GLU H 1 64 PHE H 4.750 . 4.750 2.544 2.468 2.608 . 0 0 "[ . 1 . 2]" 1
778 1 63 GLU H 1 64 PHE HB3 6.000 . 6.000 4.748 4.563 4.902 . 0 0 "[ . 1 . 2]" 1
779 1 63 GLU H 1 64 PHE QD 6.000 . 6.000 6.166 6.095 6.267 0.267 7 0 "[ . 1 . 2]" 1
780 1 63 GLU H 1 66 GLU H 6.000 . 6.000 5.097 4.561 5.831 . 0 0 "[ . 1 . 2]" 1
781 1 63 GLU QB 1 64 PHE H 5.120 . 5.120 2.513 2.361 2.712 . 0 0 "[ . 1 . 2]" 1
782 1 63 GLU QG 1 64 PHE H 5.490 . 5.490 4.033 3.891 4.178 . 0 0 "[ . 1 . 2]" 1
783 1 64 PHE H 1 64 PHE QD 5.550 . 5.550 4.086 4.003 4.131 . 0 0 "[ . 1 . 2]" 1
784 1 64 PHE H 1 65 LEU H 4.910 . 4.910 2.752 2.670 2.935 . 0 0 "[ . 1 . 2]" 1
785 1 64 PHE H 1 65 LEU QB 6.000 . 6.000 4.737 4.609 5.040 . 0 0 "[ . 1 . 2]" 1
786 1 64 PHE H 1 65 LEU MD1 6.000 . 6.000 5.284 5.104 5.535 . 0 0 "[ . 1 . 2]" 1
787 1 64 PHE H 1 65 LEU MD2 6.000 . 6.000 5.182 4.586 5.590 . 0 0 "[ . 1 . 2]" 1
788 1 64 PHE H 1 65 LEU HG 5.740 . 5.740 4.279 4.014 4.512 . 0 0 "[ . 1 . 2]" 1
789 1 64 PHE H 1 66 GLU H 5.910 . 5.910 4.236 3.969 4.721 . 0 0 "[ . 1 . 2]" 1
790 1 64 PHE HA 1 64 PHE QE 5.550 . 5.550 4.373 4.266 4.462 . 0 0 "[ . 1 . 2]" 1
791 1 64 PHE HA 1 66 GLU H 4.740 . 4.740 4.184 4.013 4.473 . 0 0 "[ . 1 . 2]" 1
792 1 64 PHE HA 1 67 PHE H 5.600 . 5.600 3.513 3.324 3.719 . 0 0 "[ . 1 . 2]" 1
793 1 64 PHE HA 1 67 PHE HB2 5.260 . 5.260 3.608 3.084 4.120 . 0 0 "[ . 1 . 2]" 1
794 1 64 PHE HA 1 67 PHE QE 4.750 . 4.750 2.761 2.201 3.185 . 0 0 "[ . 1 . 2]" 1
795 1 64 PHE HA 1 67 PHE HZ 6.000 . 6.000 4.993 4.540 5.259 . 0 0 "[ . 1 . 2]" 1
796 1 64 PHE HB2 1 65 LEU H 5.230 . 5.230 3.805 3.711 3.890 . 0 0 "[ . 1 . 2]" 1
797 1 64 PHE HB2 1 65 LEU MD2 6.000 . 6.000 5.242 4.658 5.728 . 0 0 "[ . 1 . 2]" 1
798 1 64 PHE HB2 1 67 PHE QD 6.000 . 6.000 4.242 3.897 4.468 . 0 0 "[ . 1 . 2]" 1
799 1 64 PHE HB2 1 67 PHE QE 5.990 . 5.990 4.427 3.785 4.865 . 0 0 "[ . 1 . 2]" 1
800 1 64 PHE HB3 1 65 LEU H 4.810 . 4.810 2.546 2.395 2.701 . 0 0 "[ . 1 . 2]" 1
801 1 64 PHE QD 1 65 LEU MD1 6.000 . 6.000 5.203 4.772 5.668 . 0 0 "[ . 1 . 2]" 1
802 1 64 PHE QD 1 65 LEU MD2 5.020 . 5.020 3.018 2.510 3.569 . 0 0 "[ . 1 . 2]" 1
803 1 64 PHE QD 1 65 LEU HG 6.000 . 6.000 4.103 3.487 4.749 . 0 0 "[ . 1 . 2]" 1
804 1 64 PHE QD 1 67 PHE HB2 5.660 . 5.660 4.348 4.034 4.719 . 0 0 "[ . 1 . 2]" 1
805 1 64 PHE QD 1 67 PHE QE 4.630 . 4.630 3.673 2.268 4.334 . 0 0 "[ . 1 . 2]" 1
806 1 64 PHE QD 1 67 PHE HZ 5.380 . 5.380 5.314 4.304 5.521 0.141 20 0 "[ . 1 . 2]" 1
807 1 64 PHE QD 1 68 MET H 6.000 . 6.000 5.324 4.642 5.940 . 0 0 "[ . 1 . 2]" 1
808 1 65 LEU H 1 65 LEU MD1 5.250 . 5.250 3.560 3.387 3.713 . 0 0 "[ . 1 . 2]" 1
809 1 65 LEU H 1 65 LEU MD2 4.830 . 4.830 3.128 2.701 3.399 . 0 0 "[ . 1 . 2]" 1
810 1 65 LEU H 1 65 LEU HG 4.190 . 4.190 2.071 1.955 2.208 . 0 0 "[ . 1 . 2]" 1
811 1 65 LEU H 1 66 GLU H 4.450 . 4.450 2.798 2.638 3.004 . 0 0 "[ . 1 . 2]" 1
812 1 65 LEU HA 1 68 MET H 5.520 . 5.520 3.752 3.288 4.626 . 0 0 "[ . 1 . 2]" 1
813 1 65 LEU HA 1 69 LYS H 6.000 . 6.000 4.564 3.544 5.778 . 0 0 "[ . 1 . 2]" 1
814 1 65 LEU QB 1 66 GLU H 4.540 . 4.540 2.621 2.401 2.766 . 0 0 "[ . 1 . 2]" 1
815 1 65 LEU QB 1 66 GLU HA 6.000 . 6.000 3.934 3.801 4.029 . 0 0 "[ . 1 . 2]" 1
816 1 65 LEU HB2 1 66 GLU H 5.310 . 5.310 2.677 2.447 2.834 . 0 0 "[ . 1 . 2]" 1
817 1 65 LEU HB3 1 66 GLU H 5.310 . 5.310 3.741 3.478 3.862 . 0 0 "[ . 1 . 2]" 1
818 1 65 LEU MD1 1 66 GLU H 6.000 . 6.000 4.624 4.314 4.782 . 0 0 "[ . 1 . 2]" 1
819 1 65 LEU HG 1 66 GLU H 6.000 . 6.000 4.308 4.127 4.469 . 0 0 "[ . 1 . 2]" 1
820 1 66 GLU H 1 66 GLU QG 4.700 . 4.700 2.864 1.973 4.057 . 0 0 "[ . 1 . 2]" 1
821 1 66 GLU H 1 67 PHE H 4.540 . 4.540 2.818 2.729 2.898 . 0 0 "[ . 1 . 2]" 1
822 1 66 GLU H 1 67 PHE HB2 5.620 . 5.620 4.894 4.714 5.071 . 0 0 "[ . 1 . 2]" 1
823 1 66 GLU H 1 68 MET H 6.000 . 6.000 4.569 4.184 5.287 . 0 0 "[ . 1 . 2]" 1
824 1 66 GLU H 1 69 LYS H 6.000 . 6.000 5.011 4.512 6.068 0.068 1 0 "[ . 1 . 2]" 1
825 1 66 GLU HA 1 68 MET H 6.000 . 6.000 4.556 4.278 5.058 . 0 0 "[ . 1 . 2]" 1
826 1 66 GLU QB 1 67 PHE H 5.480 . 5.480 2.646 2.434 2.988 . 0 0 "[ . 1 . 2]" 1
827 1 66 GLU QB 1 67 PHE QD 4.940 . 4.940 3.736 3.314 4.411 . 0 0 "[ . 1 . 2]" 1
828 1 66 GLU QB 1 67 PHE QE 5.200 . 5.200 4.490 3.882 5.191 . 0 0 "[ . 1 . 2]" 1
829 1 67 PHE H 1 68 MET H 4.810 . 4.810 2.841 2.649 3.271 . 0 0 "[ . 1 . 2]" 1
830 1 67 PHE H 1 69 LYS H 4.960 . 4.960 4.238 3.922 4.844 . 0 0 "[ . 1 . 2]" 1
831 1 67 PHE HB2 1 68 MET H 4.850 . 4.850 2.440 2.124 2.676 . 0 0 "[ . 1 . 2]" 1
832 1 67 PHE HB2 1 69 LYS H 6.000 . 6.000 4.887 4.528 5.206 . 0 0 "[ . 1 . 2]" 1
833 1 67 PHE HB3 1 68 MET H 5.560 . 5.560 3.326 2.878 3.662 . 0 0 "[ . 1 . 2]" 1
834 1 67 PHE QD 1 69 LYS H 6.000 . 6.000 5.872 5.585 6.234 0.234 1 0 "[ . 1 . 2]" 1
835 1 68 MET H 1 69 LYS H 4.410 . 4.410 2.674 2.321 2.990 . 0 0 "[ . 1 . 2]" 1
836 1 68 MET H 1 70 ASP H 6.000 . 6.000 4.778 3.858 5.969 . 0 0 "[ . 1 . 2]" 1
837 1 68 MET HA 1 71 VAL QG 4.590 . 4.590 3.153 1.746 4.630 0.054 7 0 "[ . 1 . 2]" 1
838 1 68 MET QB 1 69 LYS H 5.150 . 5.150 3.102 2.449 4.005 . 0 0 "[ . 1 . 2]" 1
839 1 69 LYS H 1 69 LYS QD 5.660 . 5.660 4.088 3.311 4.710 . 0 0 "[ . 1 . 2]" 1
840 1 69 LYS H 1 69 LYS HG2 5.710 . 5.710 3.090 1.997 4.437 . 0 0 "[ . 1 . 2]" 1
841 1 69 LYS H 1 69 LYS HG3 5.710 . 5.710 3.384 2.042 4.514 . 0 0 "[ . 1 . 2]" 1
842 1 69 LYS H 1 70 ASP H 5.000 . 5.000 2.910 2.589 3.640 . 0 0 "[ . 1 . 2]" 1
843 1 69 LYS HA 1 71 VAL H 6.000 . 6.000 4.668 3.347 6.018 0.018 1 0 "[ . 1 . 2]" 1
844 1 69 LYS HA 1 71 VAL QG 6.000 . 6.000 4.118 3.139 5.093 . 0 0 "[ . 1 . 2]" 1
845 1 69 LYS QB 1 70 ASP H 5.100 . 5.100 2.986 2.158 4.063 . 0 0 "[ . 1 . 2]" 1
846 1 69 LYS QD 1 70 ASP H 6.000 . 6.000 4.362 2.664 5.939 . 0 0 "[ . 1 . 2]" 1
847 1 69 LYS QG 1 70 ASP H 5.940 . 5.940 3.187 1.866 4.649 . 0 0 "[ . 1 . 2]" 1
848 1 70 ASP H 1 71 VAL H 4.610 . 4.610 3.569 2.629 4.573 . 0 0 "[ . 1 . 2]" 1
849 1 70 ASP H 1 71 VAL QG 5.330 . 5.330 3.636 3.031 4.741 . 0 0 "[ . 1 . 2]" 1
850 1 71 VAL H 1 71 VAL QG 4.170 . 4.170 2.206 1.836 2.701 . 0 0 "[ . 1 . 2]" 1
851 1 71 VAL H 1 72 GLU H 5.620 . 5.620 3.762 1.989 4.541 . 0 0 "[ . 1 . 2]" 1
852 1 71 VAL HA 1 72 GLU H 3.970 . 3.970 2.724 2.243 3.635 . 0 0 "[ . 1 . 2]" 1
853 1 71 VAL HB 1 72 GLU H 5.380 . 5.380 3.532 2.402 4.317 . 0 0 "[ . 1 . 2]" 1
854 1 71 VAL QG 1 72 GLU H 4.500 . 4.500 2.834 1.875 3.805 . 0 0 "[ . 1 . 2]" 1
855 1 71 VAL MG1 1 72 GLU H 5.190 . 5.190 3.643 2.543 4.194 . 0 0 "[ . 1 . 2]" 1
856 1 71 VAL MG2 1 72 GLU H 5.190 . 5.190 3.344 1.878 4.449 . 0 0 "[ . 1 . 2]" 1
857 1 72 GLU H 1 72 GLU QG 4.990 . 4.990 2.919 2.018 4.178 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 8:04:31 PM GMT (wattos1)