NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621960 |
5tn0   |
30193 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tn0
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 1256
_Distance_constraint_stats_list.Viol_count 1515
_Distance_constraint_stats_list.Viol_total 987.994
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0652
_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 ILE 0.515 0.089 3 0 "[ . 1]"
1 3 GLY 0.000 0.000 . 0 "[ . 1]"
1 4 GLN 1.271 0.093 9 0 "[ . 1]"
1 5 ARG 6.975 0.131 9 0 "[ . 1]"
1 6 ILE 1.859 0.121 3 0 "[ . 1]"
1 7 LYS 0.993 0.078 9 0 "[ . 1]"
1 8 GLN 7.497 0.155 3 0 "[ . 1]"
1 9 TYR 2.782 0.121 3 0 "[ . 1]"
1 10 ARG 5.809 0.132 8 0 "[ . 1]"
1 11 LYS 11.648 0.193 7 0 "[ . 1]"
1 12 GLU 8.084 0.155 3 0 "[ . 1]"
1 13 LYS 3.854 0.175 9 0 "[ . 1]"
1 14 GLY 2.597 0.127 9 0 "[ . 1]"
1 15 TYR 2.074 0.132 8 0 "[ . 1]"
1 16 SER 4.022 0.127 4 0 "[ . 1]"
1 17 LEU 4.471 0.133 9 0 "[ . 1]"
1 18 SER 3.078 0.133 9 0 "[ . 1]"
1 19 GLU 4.574 0.099 9 0 "[ . 1]"
1 20 LEU 1.414 0.085 3 0 "[ . 1]"
1 21 ALA 1.334 0.099 9 0 "[ . 1]"
1 22 GLU 4.177 0.179 7 0 "[ . 1]"
1 23 LYS 4.614 0.175 9 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 GLY 1.297 0.076 9 0 "[ . 1]"
1 26 VAL 0.006 0.002 2 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 LYS 5.611 0.198 10 0 "[ . 1]"
1 29 SER 2.756 0.198 10 0 "[ . 1]"
1 30 TYR 3.283 0.144 7 0 "[ . 1]"
1 31 LEU 2.429 0.144 7 0 "[ . 1]"
1 32 SER 4.693 0.136 9 0 "[ . 1]"
1 33 SER 1.695 0.068 4 0 "[ . 1]"
1 34 ILE 1.715 0.108 4 0 "[ . 1]"
1 35 GLU 0.850 0.039 7 0 "[ . 1]"
1 36 ARG 1.664 0.086 2 0 "[ . 1]"
1 38 LEU 2.696 0.108 4 0 "[ . 1]"
1 39 GLN 1.130 0.091 3 0 "[ . 1]"
1 40 THR 0.000 0.000 . 0 "[ . 1]"
1 41 ASN 0.148 0.057 10 0 "[ . 1]"
1 43 SER 1.366 0.122 8 0 "[ . 1]"
1 44 ILE 0.140 0.028 1 0 "[ . 1]"
1 45 GLN 1.864 0.102 9 0 "[ . 1]"
1 46 PHE 4.703 0.170 10 0 "[ . 1]"
1 47 LEU 3.189 0.163 2 0 "[ . 1]"
1 48 GLU 3.388 0.124 9 0 "[ . 1]"
1 49 LYS 7.522 0.170 10 0 "[ . 1]"
1 50 VAL 3.416 0.163 2 0 "[ . 1]"
1 51 SER 2.066 0.126 9 0 "[ . 1]"
1 52 ALA 0.105 0.023 5 0 "[ . 1]"
1 53 VAL 3.396 0.162 9 0 "[ . 1]"
1 54 LEU 2.052 0.126 9 0 "[ . 1]"
1 55 ASP 1.692 0.083 9 0 "[ . 1]"
1 56 VAL 1.087 0.097 6 0 "[ . 1]"
1 57 SER 1.960 0.137 7 0 "[ . 1]"
1 58 VAL 0.433 0.036 7 0 "[ . 1]"
1 59 HIS 4.136 0.153 2 0 "[ . 1]"
1 60 THR 5.665 0.153 2 0 "[ . 1]"
1 61 LEU 5.524 0.137 7 0 "[ . 1]"
1 62 LEU 1.723 0.087 9 0 "[ . 1]"
1 63 ASP 5.510 0.195 1 0 "[ . 1]"
1 64 GLU 1.738 0.145 9 0 "[ . 1]"
1 65 LYS 2.014 0.195 1 0 "[ . 1]"
1 66 HIS 1.550 0.070 6 0 "[ . 1]"
1 67 GLU 0.893 0.126 2 0 "[ . 1]"
1 68 THR 1.091 0.162 9 0 "[ . 1]"
1 69 GLU 1.371 0.162 9 0 "[ . 1]"
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 ILE HA 1 2 ILE MD . . 3.430 2.244 2.177 2.309 . 0 0 "[ . 1]" 1
2 1 2 ILE HA 1 2 ILE HG12 . . 3.420 3.176 3.002 3.299 . 0 0 "[ . 1]" 1
3 1 2 ILE HA 1 2 ILE HG13 . . 3.860 3.835 3.769 3.872 0.012 2 0 "[ . 1]" 1
4 1 2 ILE HA 1 2 ILE MG . . 3.150 2.315 2.265 2.395 . 0 0 "[ . 1]" 1
5 1 2 ILE HA 1 5 ARG HD2 . . 5.500 5.548 5.528 5.589 0.089 3 0 "[ . 1]" 1
6 1 2 ILE HB 1 2 ILE MD . . 3.740 3.220 3.216 3.226 . 0 0 "[ . 1]" 1
7 1 2 ILE MD 1 5 ARG HD2 . . 5.500 4.308 4.141 4.535 . 0 0 "[ . 1]" 1
8 1 2 ILE MD 1 5 ARG HD3 . . 5.500 4.069 3.847 4.293 . 0 0 "[ . 1]" 1
9 1 2 ILE MG 1 4 GLN H . . 3.860 2.909 2.788 3.088 . 0 0 "[ . 1]" 1
10 1 2 ILE MG 1 5 ARG H . . 4.050 2.222 2.148 2.324 . 0 0 "[ . 1]" 1
11 1 2 ILE MG 1 5 ARG HD2 . . 3.570 2.142 2.094 2.227 . 0 0 "[ . 1]" 1
12 1 3 GLY H 1 5 ARG H . . 4.890 3.253 3.177 3.389 . 0 0 "[ . 1]" 1
13 1 3 GLY H 1 5 ARG HB3 . . 5.080 4.474 4.331 4.757 . 0 0 "[ . 1]" 1
14 1 3 GLY H 1 5 ARG HD2 . . 5.500 5.082 4.878 5.366 . 0 0 "[ . 1]" 1
15 1 3 GLY HA3 1 5 ARG H . . 4.280 4.037 3.987 4.101 . 0 0 "[ . 1]" 1
16 1 4 GLN H 1 4 GLN HB2 . . 3.440 3.526 3.512 3.533 0.093 9 0 "[ . 1]" 1
17 1 4 GLN H 1 4 GLN HG2 . . 3.720 2.338 2.232 2.530 . 0 0 "[ . 1]" 1
18 1 4 GLN H 1 4 GLN HG3 . . 4.100 3.356 3.307 3.410 . 0 0 "[ . 1]" 1
19 1 4 GLN H 1 5 ARG H . . 2.980 2.830 2.804 2.890 . 0 0 "[ . 1]" 1
20 1 4 GLN HA 1 4 GLN HB2 . . 2.740 2.350 2.285 2.390 . 0 0 "[ . 1]" 1
21 1 4 GLN HA 1 4 GLN HB3 . . 2.940 2.490 2.473 2.515 . 0 0 "[ . 1]" 1
22 1 4 GLN HA 1 7 LYS H . . 4.130 2.660 2.440 2.865 . 0 0 "[ . 1]" 1
23 1 4 GLN HA 1 7 LYS HB3 . . 4.270 2.310 2.253 2.398 . 0 0 "[ . 1]" 1
24 1 4 GLN HA 1 7 LYS HE3 . . 4.390 3.927 2.986 4.355 . 0 0 "[ . 1]" 1
25 1 4 GLN HA 1 7 LYS HG2 . . 5.500 4.617 4.552 4.720 . 0 0 "[ . 1]" 1
26 1 4 GLN HA 1 7 LYS HG3 . . 5.500 5.205 5.139 5.286 . 0 0 "[ . 1]" 1
27 1 4 GLN HA 1 8 GLN H . . 4.320 3.801 3.752 3.869 . 0 0 "[ . 1]" 1
28 1 4 GLN HG2 1 5 ARG H . . 4.480 3.574 3.354 3.839 . 0 0 "[ . 1]" 1
29 1 4 GLN HG3 1 5 ARG H . . 5.500 3.279 3.153 3.415 . 0 0 "[ . 1]" 1
30 1 4 GLN HG3 1 5 ARG HA . . 3.890 3.932 3.905 3.943 0.053 4 0 "[ . 1]" 1
31 1 4 GLN O 1 8 GLN H . . 2.000 1.805 1.792 1.827 . 0 0 "[ . 1]" 1
32 1 4 GLN O 1 8 GLN N . . 3.000 2.810 2.798 2.832 . 0 0 "[ . 1]" 1
33 1 5 ARG H 1 5 ARG HB3 . . 3.950 3.117 3.093 3.156 . 0 0 "[ . 1]" 1
34 1 5 ARG H 1 5 ARG HD3 . . 4.470 4.260 4.162 4.339 . 0 0 "[ . 1]" 1
35 1 5 ARG H 1 6 ILE H . . 3.180 2.719 2.659 2.758 . 0 0 "[ . 1]" 1
36 1 5 ARG H 1 61 LEU MD2 . . 5.470 4.470 4.437 4.514 . 0 0 "[ . 1]" 1
37 1 5 ARG HA 1 5 ARG HB2 . . 2.850 2.924 2.917 2.931 0.081 3 0 "[ . 1]" 1
38 1 5 ARG HA 1 5 ARG HB3 . . 3.000 2.969 2.952 2.982 . 0 0 "[ . 1]" 1
39 1 5 ARG HA 1 5 ARG HD2 . . 3.960 2.519 2.455 2.612 . 0 0 "[ . 1]" 1
40 1 5 ARG HA 1 5 ARG HD3 . . 4.860 3.944 3.906 4.004 . 0 0 "[ . 1]" 1
41 1 5 ARG HA 1 8 GLN H . . 4.590 3.433 3.403 3.471 . 0 0 "[ . 1]" 1
42 1 5 ARG HA 1 8 GLN HB2 . . 2.850 2.971 2.964 2.977 0.127 3 0 "[ . 1]" 1
43 1 5 ARG HA 1 8 GLN HG2 . . 5.250 4.454 4.381 4.482 . 0 0 "[ . 1]" 1
44 1 5 ARG HA 1 8 GLN HG3 . . 4.740 4.851 4.837 4.871 0.131 9 0 "[ . 1]" 1
45 1 5 ARG HA 1 9 TYR H . . 4.150 3.656 3.610 3.690 . 0 0 "[ . 1]" 1
46 1 5 ARG HA 1 9 TYR HB2 . . 5.250 4.966 4.940 4.988 . 0 0 "[ . 1]" 1
47 1 5 ARG HA 1 9 TYR QD . . 5.500 4.260 4.229 4.287 . 0 0 "[ . 1]" 1
48 1 5 ARG HA 1 9 TYR QE . . 4.950 4.428 4.412 4.437 . 0 0 "[ . 1]" 1
49 1 5 ARG HA 1 61 LEU MD2 . . 5.010 4.118 4.101 4.139 . 0 0 "[ . 1]" 1
50 1 5 ARG HB2 1 5 ARG HD2 . . 3.660 2.471 2.407 2.500 . 0 0 "[ . 1]" 1
51 1 5 ARG HB2 1 6 ILE MD . . 5.500 4.276 4.204 4.312 . 0 0 "[ . 1]" 1
52 1 5 ARG HB2 1 61 LEU HA . . 3.100 2.415 2.377 2.444 . 0 0 "[ . 1]" 1
53 1 5 ARG HB2 1 61 LEU HB2 . . 5.000 5.056 5.039 5.076 0.076 9 0 "[ . 1]" 1
54 1 5 ARG HB2 1 61 LEU MD2 . . 3.860 3.285 3.273 3.296 . 0 0 "[ . 1]" 1
55 1 5 ARG HB3 1 5 ARG HD2 . . 3.830 3.532 3.511 3.543 . 0 0 "[ . 1]" 1
56 1 5 ARG HB3 1 5 ARG HG2 . . 3.000 2.338 2.325 2.345 . 0 0 "[ . 1]" 1
57 1 5 ARG HB3 1 5 ARG HG3 . . 2.850 2.573 2.557 2.585 . 0 0 "[ . 1]" 1
58 1 5 ARG HB3 1 6 ILE H . . 3.270 2.653 2.631 2.667 . 0 0 "[ . 1]" 1
59 1 5 ARG HB3 1 6 ILE MD . . 4.650 3.262 3.221 3.280 . 0 0 "[ . 1]" 1
60 1 5 ARG HB3 1 9 TYR QD . . 4.420 3.605 3.526 3.661 . 0 0 "[ . 1]" 1
61 1 5 ARG HB3 1 9 TYR QE . . 4.930 3.671 3.608 3.715 . 0 0 "[ . 1]" 1
62 1 5 ARG HB3 1 61 LEU HA . . 2.790 2.032 2.015 2.048 . 0 0 "[ . 1]" 1
63 1 5 ARG HB3 1 61 LEU HB2 . . 5.100 4.496 4.473 4.529 . 0 0 "[ . 1]" 1
64 1 5 ARG HB3 1 61 LEU MD2 . . 4.350 1.963 1.960 1.968 . 0 0 "[ . 1]" 1
65 1 5 ARG HB3 1 62 LEU H . . 5.470 5.535 5.515 5.557 0.087 9 0 "[ . 1]" 1
66 1 5 ARG HD2 1 9 TYR QE . . 5.500 4.816 4.770 4.887 . 0 0 "[ . 1]" 1
67 1 5 ARG HD2 1 60 THR MG . . 5.500 4.586 4.569 4.598 . 0 0 "[ . 1]" 1
68 1 5 ARG HD2 1 61 LEU HA . . 4.160 4.162 4.095 4.185 0.025 8 0 "[ . 1]" 1
69 1 5 ARG HD2 1 61 LEU MD2 . . 5.500 4.658 4.645 4.674 . 0 0 "[ . 1]" 1
70 1 5 ARG HD3 1 9 TYR QE . . 5.500 4.654 4.631 4.673 . 0 0 "[ . 1]" 1
71 1 5 ARG HD3 1 60 THR MG . . 4.970 3.710 3.660 3.734 . 0 0 "[ . 1]" 1
72 1 5 ARG HD3 1 61 LEU H . . 5.500 5.327 5.251 5.362 . 0 0 "[ . 1]" 1
73 1 5 ARG HD3 1 61 LEU HA . . 3.880 3.396 3.364 3.426 . 0 0 "[ . 1]" 1
74 1 5 ARG HD3 1 61 LEU MD2 . . 5.500 4.421 4.409 4.451 . 0 0 "[ . 1]" 1
75 1 5 ARG HG2 1 9 TYR QD . . 4.470 3.998 3.989 4.011 . 0 0 "[ . 1]" 1
76 1 5 ARG HG2 1 9 TYR QE . . 4.490 2.566 2.555 2.585 . 0 0 "[ . 1]" 1
77 1 5 ARG HG2 1 61 LEU MD2 . . 5.440 2.446 2.422 2.474 . 0 0 "[ . 1]" 1
78 1 5 ARG HG3 1 9 TYR QD . . 3.860 3.335 3.304 3.387 . 0 0 "[ . 1]" 1
79 1 5 ARG HG3 1 9 TYR QE . . 3.470 2.467 2.446 2.510 . 0 0 "[ . 1]" 1
80 1 5 ARG HG3 1 60 THR HB . . 5.120 5.181 5.170 5.186 0.066 3 0 "[ . 1]" 1
81 1 5 ARG HG3 1 61 LEU HA . . 3.350 3.458 3.450 3.464 0.114 3 0 "[ . 1]" 1
82 1 5 ARG HG3 1 61 LEU MD2 . . 4.070 3.021 2.982 3.084 . 0 0 "[ . 1]" 1
83 1 5 ARG O 1 9 TYR H . . 2.000 1.962 1.918 1.993 . 0 0 "[ . 1]" 1
84 1 5 ARG O 1 9 TYR N . . 3.000 2.972 2.927 3.002 0.002 4 0 "[ . 1]" 1
85 1 6 ILE H 1 6 ILE HB . . 2.870 2.297 2.282 2.308 . 0 0 "[ . 1]" 1
86 1 6 ILE H 1 6 ILE MD . . 2.960 2.514 2.508 2.521 . 0 0 "[ . 1]" 1
87 1 6 ILE H 1 7 LYS H . . 3.040 2.818 2.802 2.838 . 0 0 "[ . 1]" 1
88 1 6 ILE H 1 61 LEU MD2 . . 3.970 3.097 3.064 3.134 . 0 0 "[ . 1]" 1
89 1 6 ILE HA 1 6 ILE HB . . 3.010 3.026 3.023 3.031 0.021 4 0 "[ . 1]" 1
90 1 6 ILE HA 1 6 ILE MD . . 2.790 2.336 2.325 2.343 . 0 0 "[ . 1]" 1
91 1 6 ILE HA 1 7 LYS HA . . 5.110 4.813 4.790 4.830 . 0 0 "[ . 1]" 1
92 1 6 ILE HA 1 8 GLN H . . 5.380 4.916 4.887 4.940 . 0 0 "[ . 1]" 1
93 1 6 ILE HA 1 9 TYR H . . 4.390 3.821 3.804 3.834 . 0 0 "[ . 1]" 1
94 1 6 ILE HA 1 9 TYR HB2 . . 3.710 3.114 3.100 3.125 . 0 0 "[ . 1]" 1
95 1 6 ILE HA 1 9 TYR HB3 . . 4.640 4.745 4.734 4.761 0.121 3 0 "[ . 1]" 1
96 1 6 ILE HA 1 9 TYR QD . . 3.820 3.463 3.455 3.471 . 0 0 "[ . 1]" 1
97 1 6 ILE HA 1 10 ARG H . . 5.120 3.572 3.522 3.600 . 0 0 "[ . 1]" 1
98 1 6 ILE HA 1 20 LEU MD1 . . 4.890 3.512 3.479 3.566 . 0 0 "[ . 1]" 1
99 1 6 ILE HA 1 54 LEU MD1 . . 3.010 2.109 2.095 2.142 . 0 0 "[ . 1]" 1
100 1 6 ILE HA 1 61 LEU HA . . 5.500 5.561 5.528 5.587 0.087 9 0 "[ . 1]" 1
101 1 6 ILE HA 1 61 LEU MD2 . . 4.050 3.010 2.991 3.036 . 0 0 "[ . 1]" 1
102 1 6 ILE HB 1 6 ILE MD . . 3.140 2.371 2.359 2.391 . 0 0 "[ . 1]" 1
103 1 6 ILE HB 1 34 ILE MG . . 2.400 2.104 2.091 2.120 . 0 0 "[ . 1]" 1
104 1 6 ILE HB 1 35 GLU HA . . 5.170 5.099 4.842 5.188 0.018 4 0 "[ . 1]" 1
105 1 6 ILE HB 1 50 VAL MG2 . . 5.500 4.666 4.660 4.681 . 0 0 "[ . 1]" 1
106 1 6 ILE HB 1 61 LEU MD2 . . 5.500 4.153 4.130 4.177 . 0 0 "[ . 1]" 1
107 1 6 ILE MD 1 54 LEU HB2 . . 5.500 4.558 4.538 4.581 . 0 0 "[ . 1]" 1
108 1 6 ILE MD 1 54 LEU MD1 . . 3.350 2.280 2.258 2.305 . 0 0 "[ . 1]" 1
109 1 6 ILE MD 1 61 LEU HB3 . . 3.770 2.582 2.470 2.674 . 0 0 "[ . 1]" 1
110 1 6 ILE MD 1 61 LEU MD1 . . 3.440 2.005 1.989 2.020 . 0 0 "[ . 1]" 1
111 1 6 ILE HG12 1 31 LEU HA . . 5.500 3.816 3.707 3.909 . 0 0 "[ . 1]" 1
112 1 6 ILE HG13 1 6 ILE MG . . 3.260 2.341 2.326 2.352 . 0 0 "[ . 1]" 1
113 1 6 ILE MG 1 7 LYS H . . 4.180 2.614 2.590 2.650 . 0 0 "[ . 1]" 1
114 1 6 ILE MG 1 7 LYS HA . . 3.870 2.972 2.956 2.994 . 0 0 "[ . 1]" 1
115 1 6 ILE MG 1 10 ARG H . . 4.550 3.874 3.866 3.878 . 0 0 "[ . 1]" 1
116 1 6 ILE MG 1 31 LEU HA . . 3.560 2.950 2.883 2.973 . 0 0 "[ . 1]" 1
117 1 6 ILE MG 1 31 LEU HB3 . . 3.740 2.745 2.666 2.790 . 0 0 "[ . 1]" 1
118 1 6 ILE MG 1 31 LEU MD1 . . 3.000 2.081 2.073 2.089 . 0 0 "[ . 1]" 1
119 1 6 ILE MG 1 50 VAL MG2 . . 5.500 3.422 3.396 3.444 . 0 0 "[ . 1]" 1
120 1 6 ILE O 1 10 ARG H . . 2.000 1.767 1.764 1.771 . 0 0 "[ . 1]" 1
121 1 6 ILE O 1 10 ARG N . . 3.000 2.753 2.749 2.758 . 0 0 "[ . 1]" 1
122 1 7 LYS H 1 7 LYS HG3 . . 5.500 4.554 4.530 4.577 . 0 0 "[ . 1]" 1
123 1 7 LYS H 1 10 ARG H . . 4.860 4.717 4.704 4.730 . 0 0 "[ . 1]" 1
124 1 7 LYS H 1 35 GLU HG3 . . 5.280 4.003 3.885 4.115 . 0 0 "[ . 1]" 1
125 1 7 LYS HA 1 7 LYS HG3 . . 3.810 2.604 2.544 2.671 . 0 0 "[ . 1]" 1
126 1 7 LYS HA 1 10 ARG HB2 . . 5.060 4.022 3.998 4.050 . 0 0 "[ . 1]" 1
127 1 7 LYS HA 1 10 ARG HB3 . . 3.400 2.578 2.551 2.600 . 0 0 "[ . 1]" 1
128 1 7 LYS HA 1 10 ARG HD3 . . 4.180 3.807 3.775 3.882 . 0 0 "[ . 1]" 1
129 1 7 LYS HA 1 11 LYS H . . 4.070 3.727 3.697 3.742 . 0 0 "[ . 1]" 1
130 1 7 LYS HA 1 11 LYS HG3 . . 5.500 5.531 5.521 5.543 0.043 9 0 "[ . 1]" 1
131 1 7 LYS HA 1 20 LEU MD1 . . 5.500 4.620 4.607 4.632 . 0 0 "[ . 1]" 1
132 1 7 LYS HA 1 35 GLU HG2 . . 5.310 3.792 3.740 3.836 . 0 0 "[ . 1]" 1
133 1 7 LYS HA 1 35 GLU HG3 . . 5.500 4.515 4.483 4.567 . 0 0 "[ . 1]" 1
134 1 7 LYS HB3 1 7 LYS HE3 . . 5.100 2.915 2.291 3.205 . 0 0 "[ . 1]" 1
135 1 7 LYS HB3 1 35 GLU HB3 . . 5.090 5.081 5.031 5.101 0.011 4 0 "[ . 1]" 1
136 1 7 LYS HB3 1 35 GLU HG2 . . 3.550 3.509 3.478 3.552 0.002 7 0 "[ . 1]" 1
137 1 7 LYS HB3 1 35 GLU HG3 . . 5.500 5.086 5.039 5.125 . 0 0 "[ . 1]" 1
138 1 7 LYS HD3 1 7 LYS HG3 . . 2.650 2.486 2.457 2.501 . 0 0 "[ . 1]" 1
139 1 7 LYS HE3 1 7 LYS HG3 . . 3.850 3.559 3.130 3.787 . 0 0 "[ . 1]" 1
140 1 7 LYS HE3 1 8 GLN H . . 5.500 4.797 4.458 5.506 0.006 3 0 "[ . 1]" 1
141 1 7 LYS HG2 1 8 GLN H . . 4.100 3.087 2.976 3.146 . 0 0 "[ . 1]" 1
142 1 7 LYS HG2 1 8 GLN HA . . 3.800 3.505 3.380 3.572 . 0 0 "[ . 1]" 1
143 1 7 LYS HG2 1 35 GLU HG2 . . 5.500 5.281 5.237 5.319 . 0 0 "[ . 1]" 1
144 1 7 LYS HG3 1 8 GLN H . . 4.040 4.103 4.093 4.118 0.078 9 0 "[ . 1]" 1
145 1 7 LYS O 1 11 LYS H . . 2.000 1.923 1.902 1.941 . 0 0 "[ . 1]" 1
146 1 7 LYS O 1 11 LYS N . . 3.000 2.937 2.915 2.955 . 0 0 "[ . 1]" 1
147 1 8 GLN H 1 8 GLN HB2 . . 3.390 2.362 2.355 2.377 . 0 0 "[ . 1]" 1
148 1 8 GLN H 1 9 TYR H . . 3.060 3.043 3.017 3.062 0.002 10 0 "[ . 1]" 1
149 1 8 GLN H 1 9 TYR HB2 . . 5.500 5.055 5.013 5.108 . 0 0 "[ . 1]" 1
150 1 8 GLN H 1 10 ARG H . . 4.510 4.381 4.354 4.422 . 0 0 "[ . 1]" 1
151 1 8 GLN HA 1 8 GLN HG2 . . 3.880 3.259 3.242 3.292 . 0 0 "[ . 1]" 1
152 1 8 GLN HA 1 8 GLN HG3 . . 3.920 2.638 2.604 2.649 . 0 0 "[ . 1]" 1
153 1 8 GLN HA 1 11 LYS HB2 . . 5.420 5.511 5.507 5.519 0.099 9 0 "[ . 1]" 1
154 1 8 GLN HA 1 11 LYS HB3 . . 5.500 5.193 5.174 5.200 . 0 0 "[ . 1]" 1
155 1 8 GLN HA 1 11 LYS HD3 . . 5.160 4.746 4.737 4.764 . 0 0 "[ . 1]" 1
156 1 8 GLN HA 1 11 LYS HG3 . . 4.610 3.222 3.217 3.226 . 0 0 "[ . 1]" 1
157 1 8 GLN HB2 1 8 GLN HG3 . . 2.400 2.458 2.454 2.467 0.067 3 0 "[ . 1]" 1
158 1 8 GLN HB3 1 9 TYR H . . 3.950 2.120 2.112 2.131 . 0 0 "[ . 1]" 1
159 1 8 GLN HG2 1 9 TYR HA . . 5.500 3.526 3.505 3.540 . 0 0 "[ . 1]" 1
160 1 8 GLN HG2 1 9 TYR QD . . 4.570 2.783 2.690 2.842 . 0 0 "[ . 1]" 1
161 1 8 GLN HG2 1 12 GLU HB3 . . 5.500 4.201 4.173 4.245 . 0 0 "[ . 1]" 1
162 1 8 GLN HG2 1 12 GLU HG3 . . 5.500 4.595 4.572 4.625 . 0 0 "[ . 1]" 1
163 1 8 GLN HG3 1 9 TYR QD . . 5.310 4.469 4.374 4.507 . 0 0 "[ . 1]" 1
164 1 8 GLN HG3 1 12 GLU HG3 . . 5.130 5.186 5.184 5.190 0.060 9 0 "[ . 1]" 1
165 1 8 GLN O 1 12 GLU H . . 2.000 2.144 2.140 2.155 0.155 3 0 "[ . 1]" 1
166 1 8 GLN O 1 12 GLU N . . 3.000 3.104 3.101 3.113 0.113 3 0 "[ . 1]" 1
167 1 9 TYR H 1 9 TYR HB3 . . 3.640 3.472 3.463 3.502 . 0 0 "[ . 1]" 1
168 1 9 TYR H 1 9 TYR QD . . 3.680 3.216 3.203 3.233 . 0 0 "[ . 1]" 1
169 1 9 TYR H 1 10 ARG H . . 3.190 2.723 2.713 2.754 . 0 0 "[ . 1]" 1
170 1 9 TYR H 1 54 LEU MD1 . . 4.570 3.775 3.764 3.800 . 0 0 "[ . 1]" 1
171 1 9 TYR H 1 54 LEU MD2 . . 5.050 4.130 4.119 4.148 . 0 0 "[ . 1]" 1
172 1 9 TYR HA 1 9 TYR HB3 . . 2.870 2.416 2.413 2.419 . 0 0 "[ . 1]" 1
173 1 9 TYR HA 1 9 TYR QD . . 2.800 2.113 2.102 2.122 . 0 0 "[ . 1]" 1
174 1 9 TYR HA 1 9 TYR QE . . 5.270 4.455 4.434 4.463 . 0 0 "[ . 1]" 1
175 1 9 TYR HA 1 11 LYS H . . 5.300 4.668 4.642 4.680 . 0 0 "[ . 1]" 1
176 1 9 TYR HA 1 11 LYS HG2 . . 5.500 5.614 5.602 5.621 0.121 1 0 "[ . 1]" 1
177 1 9 TYR HA 1 12 GLU H . . 3.830 3.334 3.316 3.353 . 0 0 "[ . 1]" 1
178 1 9 TYR HA 1 12 GLU HB3 . . 2.900 2.386 2.325 2.413 . 0 0 "[ . 1]" 1
179 1 9 TYR HA 1 12 GLU HG3 . . 5.500 4.414 4.317 4.443 . 0 0 "[ . 1]" 1
180 1 9 TYR HA 1 13 LYS H . . 5.500 3.691 3.679 3.719 . 0 0 "[ . 1]" 1
181 1 9 TYR HA 1 13 LYS HD2 . . 5.340 5.371 5.134 5.402 0.062 4 0 "[ . 1]" 1
182 1 9 TYR HA 1 54 LEU MD1 . . 5.500 4.556 4.547 4.563 . 0 0 "[ . 1]" 1
183 1 9 TYR HA 1 54 LEU MD2 . . 4.140 3.530 3.525 3.539 . 0 0 "[ . 1]" 1
184 1 9 TYR HA 1 56 VAL MG2 . . 5.500 4.627 4.619 4.635 . 0 0 "[ . 1]" 1
185 1 9 TYR HB2 1 10 ARG H . . 3.560 2.608 2.603 2.614 . 0 0 "[ . 1]" 1
186 1 9 TYR HB2 1 10 ARG HA . . 4.600 4.397 4.378 4.403 . 0 0 "[ . 1]" 1
187 1 9 TYR HB2 1 12 GLU HB3 . . 5.500 5.308 5.231 5.330 . 0 0 "[ . 1]" 1
188 1 9 TYR HB2 1 54 LEU HA . . 5.500 4.741 4.709 4.812 . 0 0 "[ . 1]" 1
189 1 9 TYR HB2 1 54 LEU HB2 . . 5.420 4.116 4.094 4.134 . 0 0 "[ . 1]" 1
190 1 9 TYR HB2 1 54 LEU HB3 . . 4.700 2.894 2.877 2.932 . 0 0 "[ . 1]" 1
191 1 9 TYR HB2 1 54 LEU MD1 . . 3.210 1.977 1.967 1.982 . 0 0 "[ . 1]" 1
192 1 9 TYR HB2 1 54 LEU HG . . 5.500 4.370 4.344 4.403 . 0 0 "[ . 1]" 1
193 1 9 TYR HB2 1 61 LEU MD2 . . 5.320 3.878 3.859 3.895 . 0 0 "[ . 1]" 1
194 1 9 TYR HB3 1 10 ARG H . . 3.900 3.640 3.631 3.649 . 0 0 "[ . 1]" 1
195 1 9 TYR HB3 1 10 ARG HA . . 4.580 4.477 4.442 4.488 . 0 0 "[ . 1]" 1
196 1 9 TYR HB3 1 12 GLU HB3 . . 5.100 4.611 4.508 4.643 . 0 0 "[ . 1]" 1
197 1 9 TYR HB3 1 13 LYS HD3 . . 5.400 5.397 5.347 5.471 0.071 3 0 "[ . 1]" 1
198 1 9 TYR HB3 1 54 LEU HA . . 4.560 3.517 3.477 3.599 . 0 0 "[ . 1]" 1
199 1 9 TYR HB3 1 54 LEU HB2 . . 3.830 3.677 3.668 3.684 . 0 0 "[ . 1]" 1
200 1 9 TYR HB3 1 54 LEU HB3 . . 4.710 2.015 2.009 2.021 . 0 0 "[ . 1]" 1
201 1 9 TYR HB3 1 54 LEU MD1 . . 3.380 2.814 2.795 2.825 . 0 0 "[ . 1]" 1
202 1 9 TYR HB3 1 54 LEU MD2 . . 3.590 2.083 2.060 2.092 . 0 0 "[ . 1]" 1
203 1 9 TYR HB3 1 54 LEU HG . . 5.500 4.277 4.260 4.308 . 0 0 "[ . 1]" 1
204 1 9 TYR HB3 1 56 VAL HB . . 5.500 4.494 4.478 4.527 . 0 0 "[ . 1]" 1
205 1 9 TYR HB3 1 56 VAL MG2 . . 4.170 3.236 3.212 3.273 . 0 0 "[ . 1]" 1
206 1 9 TYR QD 1 10 ARG H . . 5.030 4.491 4.484 4.495 . 0 0 "[ . 1]" 1
207 1 9 TYR QD 1 12 GLU HB3 . . 4.640 3.478 3.442 3.513 . 0 0 "[ . 1]" 1
208 1 9 TYR QD 1 54 LEU HB2 . . 4.060 3.579 3.569 3.590 . 0 0 "[ . 1]" 1
209 1 9 TYR QD 1 54 LEU HB3 . . 5.500 3.008 2.993 3.051 . 0 0 "[ . 1]" 1
210 1 9 TYR QD 1 54 LEU MD1 . . 3.660 2.139 2.127 2.150 . 0 0 "[ . 1]" 1
211 1 9 TYR QD 1 56 VAL HB . . 4.780 3.912 3.906 3.919 . 0 0 "[ . 1]" 1
212 1 9 TYR QD 1 56 VAL MG1 . . 2.980 2.251 2.245 2.256 . 0 0 "[ . 1]" 1
213 1 9 TYR QD 1 61 LEU HA . . 5.500 4.652 4.610 4.685 . 0 0 "[ . 1]" 1
214 1 9 TYR QD 1 61 LEU MD2 . . 3.040 2.267 2.261 2.275 . 0 0 "[ . 1]" 1
215 1 9 TYR QE 1 54 LEU HB2 . . 5.500 4.938 4.931 4.946 . 0 0 "[ . 1]" 1
216 1 9 TYR QE 1 54 LEU MD1 . . 5.500 4.129 4.125 4.132 . 0 0 "[ . 1]" 1
217 1 9 TYR QE 1 56 VAL HA . . 5.500 4.792 4.771 4.806 . 0 0 "[ . 1]" 1
218 1 9 TYR QE 1 56 VAL HB . . 4.640 4.202 4.194 4.213 . 0 0 "[ . 1]" 1
219 1 9 TYR QE 1 56 VAL MG1 . . 3.500 2.038 2.033 2.041 . 0 0 "[ . 1]" 1
220 1 9 TYR QE 1 60 THR HB . . 4.200 3.442 3.406 3.467 . 0 0 "[ . 1]" 1
221 1 9 TYR QE 1 60 THR MG . . 2.840 2.115 2.113 2.119 . 0 0 "[ . 1]" 1
222 1 9 TYR QE 1 61 LEU HA . . 5.320 3.849 3.821 3.879 . 0 0 "[ . 1]" 1
223 1 9 TYR QE 1 61 LEU MD2 . . 3.320 2.267 2.259 2.278 . 0 0 "[ . 1]" 1
224 1 10 ARG H 1 10 ARG HB2 . . 3.750 2.732 2.713 2.741 . 0 0 "[ . 1]" 1
225 1 10 ARG H 1 10 ARG HB3 . . 3.110 2.276 2.268 2.281 . 0 0 "[ . 1]" 1
226 1 10 ARG H 1 10 ARG HG2 . . 4.480 4.356 4.348 4.364 . 0 0 "[ . 1]" 1
227 1 10 ARG H 1 11 LYS H . . 3.440 2.980 2.969 3.002 . 0 0 "[ . 1]" 1
228 1 10 ARG H 1 12 GLU H . . 4.540 4.250 4.236 4.265 . 0 0 "[ . 1]" 1
229 1 10 ARG H 1 13 LYS H . . 5.500 4.749 4.740 4.760 . 0 0 "[ . 1]" 1
230 1 10 ARG H 1 20 LEU MD1 . . 4.830 3.740 3.697 3.766 . 0 0 "[ . 1]" 1
231 1 10 ARG H 1 54 LEU MD2 . . 3.640 2.688 2.679 2.696 . 0 0 "[ . 1]" 1
232 1 10 ARG HA 1 10 ARG HD2 . . 5.220 4.999 4.995 5.005 . 0 0 "[ . 1]" 1
233 1 10 ARG HA 1 10 ARG HD3 . . 5.500 4.437 4.429 4.447 . 0 0 "[ . 1]" 1
234 1 10 ARG HA 1 10 ARG HG2 . . 3.900 3.396 3.384 3.410 . 0 0 "[ . 1]" 1
235 1 10 ARG HA 1 13 LYS H . . 4.790 3.691 3.675 3.696 . 0 0 "[ . 1]" 1
236 1 10 ARG HA 1 13 LYS HB2 . . 5.500 2.851 2.837 2.881 . 0 0 "[ . 1]" 1
237 1 10 ARG HA 1 13 LYS HG3 . . 5.500 3.659 3.621 3.767 . 0 0 "[ . 1]" 1
238 1 10 ARG HA 1 15 TYR H . . 4.130 3.806 3.769 3.816 . 0 0 "[ . 1]" 1
239 1 10 ARG HA 1 15 TYR HA . . 5.500 5.292 5.287 5.308 . 0 0 "[ . 1]" 1
240 1 10 ARG HA 1 15 TYR HB2 . . 5.500 2.277 2.272 2.288 . 0 0 "[ . 1]" 1
241 1 10 ARG HA 1 15 TYR HB3 . . 4.520 3.625 3.614 3.646 . 0 0 "[ . 1]" 1
242 1 10 ARG HA 1 15 TYR QD . . 4.440 2.200 2.191 2.213 . 0 0 "[ . 1]" 1
243 1 10 ARG HA 1 15 TYR QE . . 5.220 4.328 4.315 4.350 . 0 0 "[ . 1]" 1
244 1 10 ARG HA 1 20 LEU MD1 . . 5.500 3.506 3.496 3.522 . 0 0 "[ . 1]" 1
245 1 10 ARG HA 1 20 LEU MD2 . . 5.500 3.606 3.595 3.618 . 0 0 "[ . 1]" 1
246 1 10 ARG HA 1 54 LEU MD2 . . 2.400 2.122 2.119 2.126 . 0 0 "[ . 1]" 1
247 1 10 ARG HB2 1 10 ARG HD3 . . 3.450 2.346 2.332 2.377 . 0 0 "[ . 1]" 1
248 1 10 ARG HB2 1 15 TYR HB2 . . 4.230 3.365 3.354 3.377 . 0 0 "[ . 1]" 1
249 1 10 ARG HB2 1 15 TYR HB3 . . 3.870 3.998 3.995 4.002 0.132 8 0 "[ . 1]" 1
250 1 10 ARG HB2 1 15 TYR QD . . 5.500 3.605 3.594 3.616 . 0 0 "[ . 1]" 1
251 1 10 ARG HB2 1 16 SER HA . . 5.200 5.319 5.293 5.327 0.127 4 0 "[ . 1]" 1
252 1 10 ARG HB2 1 20 LEU HA . . 5.390 5.259 5.238 5.266 . 0 0 "[ . 1]" 1
253 1 10 ARG HB2 1 20 LEU HB2 . . 3.780 3.248 3.229 3.271 . 0 0 "[ . 1]" 1
254 1 10 ARG HB2 1 20 LEU MD1 . . 4.480 2.085 2.073 2.096 . 0 0 "[ . 1]" 1
255 1 10 ARG HB2 1 54 LEU MD2 . . 5.500 2.657 2.640 2.668 . 0 0 "[ . 1]" 1
256 1 10 ARG HB3 1 10 ARG HD3 . . 2.580 2.656 2.652 2.669 0.089 9 0 "[ . 1]" 1
257 1 10 ARG HB3 1 11 LYS H . . 4.050 2.553 2.539 2.587 . 0 0 "[ . 1]" 1
258 1 10 ARG HB3 1 15 TYR HB2 . . 4.410 4.127 4.109 4.141 . 0 0 "[ . 1]" 1
259 1 10 ARG HB3 1 15 TYR HB3 . . 5.500 5.099 5.089 5.107 . 0 0 "[ . 1]" 1
260 1 10 ARG HB3 1 15 TYR QD . . 5.360 4.877 4.871 4.884 . 0 0 "[ . 1]" 1
261 1 10 ARG HB3 1 20 LEU HB2 . . 5.500 4.657 4.642 4.663 . 0 0 "[ . 1]" 1
262 1 10 ARG HD2 1 11 LYS HA . . 5.500 5.620 5.612 5.629 0.129 3 0 "[ . 1]" 1
263 1 10 ARG HD2 1 15 TYR HB2 . . 4.420 4.328 4.311 4.339 . 0 0 "[ . 1]" 1
264 1 10 ARG HD2 1 15 TYR HB3 . . 4.440 4.132 4.096 4.144 . 0 0 "[ . 1]" 1
265 1 10 ARG HD2 1 16 SER H . . 5.460 3.664 3.647 3.690 . 0 0 "[ . 1]" 1
266 1 10 ARG HD2 1 16 SER HA . . 3.840 2.386 2.316 2.401 . 0 0 "[ . 1]" 1
267 1 10 ARG HD2 1 16 SER HB2 . . 5.500 4.257 4.177 4.274 . 0 0 "[ . 1]" 1
268 1 10 ARG HD2 1 17 LEU H . . 5.190 3.054 3.043 3.078 . 0 0 "[ . 1]" 1
269 1 10 ARG HD2 1 17 LEU HA . . 4.070 2.679 2.662 2.721 . 0 0 "[ . 1]" 1
270 1 10 ARG HD2 1 17 LEU MD2 . . 5.500 4.430 4.413 4.469 . 0 0 "[ . 1]" 1
271 1 10 ARG HD2 1 17 LEU HG . . 5.500 2.866 2.842 2.905 . 0 0 "[ . 1]" 1
272 1 10 ARG HD2 1 20 LEU H . . 4.220 4.220 4.205 4.226 0.006 4 0 "[ . 1]" 1
273 1 10 ARG HD2 1 20 LEU HB2 . . 3.820 3.318 3.275 3.331 . 0 0 "[ . 1]" 1
274 1 10 ARG HD2 1 20 LEU HB3 . . 3.630 3.710 3.707 3.715 0.085 3 0 "[ . 1]" 1
275 1 10 ARG HD2 1 20 LEU HG . . 5.500 4.320 4.288 4.329 . 0 0 "[ . 1]" 1
276 1 10 ARG HD2 1 21 ALA H . . 5.500 5.555 5.543 5.560 0.060 6 0 "[ . 1]" 1
277 1 10 ARG HD3 1 11 LYS H . . 5.500 4.933 4.922 4.975 . 0 0 "[ . 1]" 1
278 1 10 ARG HD3 1 15 TYR HB2 . . 5.070 4.554 4.540 4.562 . 0 0 "[ . 1]" 1
279 1 10 ARG HD3 1 17 LEU HA . . 4.910 3.043 3.023 3.069 . 0 0 "[ . 1]" 1
280 1 10 ARG HD3 1 17 LEU MD1 . . 5.200 4.390 4.386 4.399 . 0 0 "[ . 1]" 1
281 1 10 ARG HD3 1 17 LEU MD2 . . 5.500 4.462 4.422 4.485 . 0 0 "[ . 1]" 1
282 1 10 ARG HD3 1 20 LEU HB2 . . 4.340 3.329 3.282 3.348 . 0 0 "[ . 1]" 1
283 1 10 ARG HD3 1 20 LEU HB3 . . 4.030 3.369 3.341 3.383 . 0 0 "[ . 1]" 1
284 1 10 ARG HD3 1 20 LEU MD1 . . 2.640 2.224 2.219 2.228 . 0 0 "[ . 1]" 1
285 1 10 ARG HD3 1 20 LEU HG . . 5.500 3.621 3.592 3.642 . 0 0 "[ . 1]" 1
286 1 10 ARG HG2 1 11 LYS H . . 4.910 3.050 3.037 3.081 . 0 0 "[ . 1]" 1
287 1 10 ARG HG2 1 11 LYS HA . . 3.930 3.215 3.210 3.233 . 0 0 "[ . 1]" 1
288 1 10 ARG HG2 1 15 TYR HA . . 4.820 4.651 4.631 4.663 . 0 0 "[ . 1]" 1
289 1 10 ARG HG2 1 15 TYR HB2 . . 3.620 2.893 2.881 2.903 . 0 0 "[ . 1]" 1
290 1 10 ARG HG2 1 15 TYR HB3 . . 3.790 3.714 3.706 3.721 . 0 0 "[ . 1]" 1
291 1 10 ARG HG2 1 16 SER H . . 4.700 3.909 3.888 3.960 . 0 0 "[ . 1]" 1
292 1 10 ARG HG2 1 16 SER HA . . 4.380 3.055 3.023 3.071 . 0 0 "[ . 1]" 1
293 1 10 ARG HG3 1 15 TYR HB2 . . 4.230 2.110 2.102 2.117 . 0 0 "[ . 1]" 1
294 1 10 ARG HG3 1 16 SER HA . . 4.600 3.424 3.386 3.433 . 0 0 "[ . 1]" 1
295 1 10 ARG HG3 1 20 LEU HB2 . . 5.500 2.216 2.205 2.227 . 0 0 "[ . 1]" 1
296 1 10 ARG HG3 1 20 LEU MD1 . . 4.150 3.099 3.087 3.110 . 0 0 "[ . 1]" 1
297 1 10 ARG HG3 1 54 LEU MD2 . . 4.660 3.986 3.978 3.989 . 0 0 "[ . 1]" 1
298 1 11 LYS H 1 11 LYS HB2 . . 3.830 3.719 3.715 3.724 . 0 0 "[ . 1]" 1
299 1 11 LYS H 1 11 LYS HB3 . . 4.030 2.853 2.844 2.862 . 0 0 "[ . 1]" 1
300 1 11 LYS H 1 11 LYS HD3 . . 5.030 4.756 4.745 4.768 . 0 0 "[ . 1]" 1
301 1 11 LYS H 1 11 LYS HG2 . . 5.230 2.670 2.661 2.686 . 0 0 "[ . 1]" 1
302 1 11 LYS H 1 11 LYS HG3 . . 4.550 2.592 2.578 2.612 . 0 0 "[ . 1]" 1
303 1 11 LYS H 1 12 GLU H . . 3.080 2.784 2.772 2.790 . 0 0 "[ . 1]" 1
304 1 11 LYS H 1 54 LEU MD2 . . 5.500 4.611 4.609 4.613 . 0 0 "[ . 1]" 1
305 1 11 LYS HA 1 11 LYS HB3 . . 2.970 2.299 2.298 2.303 . 0 0 "[ . 1]" 1
306 1 11 LYS HA 1 11 LYS HD3 . . 5.500 4.410 4.396 4.416 . 0 0 "[ . 1]" 1
307 1 11 LYS HA 1 11 LYS HE3 . . 5.500 5.343 4.656 5.515 0.015 5 0 "[ . 1]" 1
308 1 11 LYS HA 1 11 LYS HG2 . . 3.740 3.911 3.908 3.918 0.178 9 0 "[ . 1]" 1
309 1 11 LYS HA 1 14 GLY H . . 3.570 3.523 3.509 3.527 . 0 0 "[ . 1]" 1
310 1 11 LYS HB2 1 11 LYS HD2 . . 3.190 3.381 3.379 3.383 0.193 7 0 "[ . 1]" 1
311 1 11 LYS HB2 1 11 LYS HD3 . . 3.210 2.205 2.202 2.214 . 0 0 "[ . 1]" 1
312 1 11 LYS HB2 1 11 LYS HE3 . . 5.500 3.271 2.377 3.498 . 0 0 "[ . 1]" 1
313 1 11 LYS HB2 1 12 GLU H . . 3.700 3.562 3.557 3.570 . 0 0 "[ . 1]" 1
314 1 11 LYS HB2 1 12 GLU HA . . 4.860 4.031 4.022 4.050 . 0 0 "[ . 1]" 1
315 1 11 LYS HB2 1 12 GLU HB3 . . 5.500 5.577 5.573 5.582 0.082 1 0 "[ . 1]" 1
316 1 11 LYS HB2 1 14 GLY H . . 5.500 4.943 4.931 4.962 . 0 0 "[ . 1]" 1
317 1 11 LYS HB3 1 11 LYS HE3 . . 5.500 3.318 2.853 3.435 . 0 0 "[ . 1]" 1
318 1 11 LYS HB3 1 14 GLY H . . 5.500 5.619 5.616 5.627 0.127 9 0 "[ . 1]" 1
319 1 11 LYS HD2 1 12 GLU H . . 5.150 3.715 3.704 3.744 . 0 0 "[ . 1]" 1
320 1 11 LYS HD2 1 12 GLU HA . . 4.260 4.320 4.315 4.322 0.062 2 0 "[ . 1]" 1
321 1 11 LYS HD3 1 12 GLU H . . 3.760 3.513 3.494 3.523 . 0 0 "[ . 1]" 1
322 1 11 LYS HD3 1 12 GLU HA . . 3.610 3.343 3.320 3.356 . 0 0 "[ . 1]" 1
323 1 11 LYS HD3 1 12 GLU HB3 . . 4.720 4.775 4.765 4.781 0.061 6 0 "[ . 1]" 1
324 1 11 LYS HG2 1 12 GLU H . . 4.550 3.345 3.333 3.357 . 0 0 "[ . 1]" 1
325 1 11 LYS HG2 1 12 GLU HA . . 5.090 5.214 5.209 5.221 0.131 3 0 "[ . 1]" 1
326 1 11 LYS HG2 1 12 GLU HB3 . . 5.500 5.184 5.164 5.199 . 0 0 "[ . 1]" 1
327 1 11 LYS HG3 1 12 GLU HA . . 5.500 3.649 3.639 3.654 . 0 0 "[ . 1]" 1
328 1 12 GLU H 1 12 GLU HA . . 2.940 2.802 2.800 2.807 . 0 0 "[ . 1]" 1
329 1 12 GLU H 1 12 GLU HB3 . . 3.500 2.320 2.297 2.329 . 0 0 "[ . 1]" 1
330 1 12 GLU H 1 13 LYS H . . 3.260 2.678 2.675 2.683 . 0 0 "[ . 1]" 1
331 1 12 GLU H 1 14 GLY H . . 4.010 4.061 4.048 4.073 0.063 9 0 "[ . 1]" 1
332 1 12 GLU HA 1 12 GLU HG2 . . 2.450 2.491 2.488 2.501 0.051 3 0 "[ . 1]" 1
333 1 12 GLU HA 1 13 LYS HA . . 5.080 4.918 4.912 4.930 . 0 0 "[ . 1]" 1
334 1 12 GLU HB3 1 12 GLU HG2 . . 2.900 2.995 2.994 2.996 0.096 8 0 "[ . 1]" 1
335 1 12 GLU HB3 1 13 LYS H . . 4.140 3.054 3.015 3.067 . 0 0 "[ . 1]" 1
336 1 12 GLU HB3 1 13 LYS HG2 . . 5.500 4.021 3.861 4.051 . 0 0 "[ . 1]" 1
337 1 12 GLU HB3 1 13 LYS HG3 . . 5.500 5.462 5.384 5.505 0.005 3 0 "[ . 1]" 1
338 1 12 GLU HB3 1 14 GLY H . . 5.240 5.154 5.141 5.160 . 0 0 "[ . 1]" 1
339 1 12 GLU HG3 1 13 LYS H . . 5.500 5.283 5.236 5.298 . 0 0 "[ . 1]" 1
340 1 13 LYS H 1 13 LYS HB3 . . 3.820 3.578 3.572 3.594 . 0 0 "[ . 1]" 1
341 1 13 LYS H 1 14 GLY H . . 3.140 2.604 2.584 2.628 . 0 0 "[ . 1]" 1
342 1 13 LYS HA 1 13 LYS HD3 . . 3.900 3.839 3.348 3.913 0.013 9 0 "[ . 1]" 1
343 1 13 LYS HA 1 13 LYS HE3 . . 3.910 2.136 2.103 2.157 . 0 0 "[ . 1]" 1
344 1 13 LYS HA 1 13 LYS HG2 . . 2.860 2.841 2.775 2.955 0.095 3 0 "[ . 1]" 1
345 1 13 LYS HA 1 13 LYS HG3 . . 4.200 3.783 3.752 3.796 . 0 0 "[ . 1]" 1
346 1 13 LYS HA 1 15 TYR QD . . 5.500 5.057 5.054 5.063 . 0 0 "[ . 1]" 1
347 1 13 LYS HA 1 15 TYR QE . . 5.500 4.744 4.724 4.758 . 0 0 "[ . 1]" 1
348 1 13 LYS HB2 1 13 LYS HE3 . . 5.500 4.278 4.046 4.311 . 0 0 "[ . 1]" 1
349 1 13 LYS HB2 1 14 GLY H . . 4.490 3.254 3.224 3.262 . 0 0 "[ . 1]" 1
350 1 13 LYS HB2 1 15 TYR QD . . 4.380 2.638 2.614 2.652 . 0 0 "[ . 1]" 1
351 1 13 LYS HB2 1 15 TYR QE . . 4.570 3.310 3.277 3.326 . 0 0 "[ . 1]" 1
352 1 13 LYS HB2 1 23 LYS HD2 . . 5.500 5.657 5.646 5.675 0.175 9 0 "[ . 1]" 1
353 1 13 LYS HB2 1 54 LEU MD2 . . 4.940 3.049 3.039 3.054 . 0 0 "[ . 1]" 1
354 1 13 LYS HB3 1 13 LYS HE2 . . 5.500 2.359 2.205 3.284 . 0 0 "[ . 1]" 1
355 1 13 LYS HB3 1 13 LYS HE3 . . 5.500 3.435 3.339 3.680 . 0 0 "[ . 1]" 1
356 1 13 LYS HB3 1 14 GLY H . . 3.910 3.966 3.960 3.984 0.074 3 0 "[ . 1]" 1
357 1 13 LYS HB3 1 15 TYR H . . 4.040 4.050 4.043 4.072 0.032 3 0 "[ . 1]" 1
358 1 13 LYS HB3 1 15 TYR HB2 . . 5.500 4.382 4.358 4.484 . 0 0 "[ . 1]" 1
359 1 13 LYS HB3 1 15 TYR HB3 . . 5.500 5.294 5.264 5.404 . 0 0 "[ . 1]" 1
360 1 13 LYS HB3 1 15 TYR QE . . 3.510 2.877 2.851 2.887 . 0 0 "[ . 1]" 1
361 1 13 LYS HB3 1 54 LEU MD2 . . 4.480 3.796 3.787 3.800 . 0 0 "[ . 1]" 1
362 1 13 LYS HD2 1 13 LYS HG3 . . 2.550 2.528 2.389 2.552 0.002 9 0 "[ . 1]" 1
363 1 13 LYS HD2 1 55 ASP HB2 . . 3.510 2.955 2.882 2.991 . 0 0 "[ . 1]" 1
364 1 13 LYS HD2 1 55 ASP HB3 . . 4.490 4.548 4.534 4.567 0.077 6 0 "[ . 1]" 1
365 1 13 LYS HE2 1 13 LYS HG2 . . 4.220 3.386 3.370 3.418 . 0 0 "[ . 1]" 1
366 1 13 LYS HE2 1 14 GLY H . . 5.500 5.222 5.174 5.516 0.016 3 0 "[ . 1]" 1
367 1 13 LYS HE3 1 14 GLY H . . 5.500 5.492 5.100 5.538 0.038 6 0 "[ . 1]" 1
368 1 13 LYS HG2 1 15 TYR QE . . 4.660 4.232 4.221 4.240 . 0 0 "[ . 1]" 1
369 1 13 LYS HG3 1 15 TYR QD . . 5.500 3.166 3.140 3.200 . 0 0 "[ . 1]" 1
370 1 13 LYS HG3 1 15 TYR QE . . 5.500 2.645 2.587 2.685 . 0 0 "[ . 1]" 1
371 1 13 LYS HG3 1 54 LEU MD2 . . 4.280 2.090 2.078 2.129 . 0 0 "[ . 1]" 1
372 1 14 GLY H 1 15 TYR H . . 3.000 2.131 2.106 2.139 . 0 0 "[ . 1]" 1
373 1 14 GLY H 1 15 TYR HB2 . . 5.500 4.216 4.173 4.236 . 0 0 "[ . 1]" 1
374 1 14 GLY HA3 1 15 TYR H . . 3.450 3.437 3.415 3.444 . 0 0 "[ . 1]" 1
375 1 14 GLY HA3 1 15 TYR HA . . 5.500 4.603 4.594 4.609 . 0 0 "[ . 1]" 1
376 1 14 GLY HA3 1 15 TYR QD . . 5.020 3.857 3.851 3.863 . 0 0 "[ . 1]" 1
377 1 15 TYR H 1 15 TYR HB2 . . 2.940 2.409 2.379 2.423 . 0 0 "[ . 1]" 1
378 1 15 TYR H 1 15 TYR HB3 . . 3.860 3.590 3.562 3.599 . 0 0 "[ . 1]" 1
379 1 15 TYR H 1 15 TYR QD . . 4.070 3.193 3.142 3.209 . 0 0 "[ . 1]" 1
380 1 15 TYR H 1 15 TYR QE . . 5.500 4.796 4.717 4.819 . 0 0 "[ . 1]" 1
381 1 15 TYR H 1 16 SER H . . 4.840 4.381 4.373 4.394 . 0 0 "[ . 1]" 1
382 1 15 TYR HA 1 15 TYR HB3 . . 2.750 2.495 2.490 2.503 . 0 0 "[ . 1]" 1
383 1 15 TYR HA 1 15 TYR QD . . 2.670 2.251 2.229 2.269 . 0 0 "[ . 1]" 1
384 1 15 TYR HA 1 16 SER H . . 3.430 2.266 2.252 2.283 . 0 0 "[ . 1]" 1
385 1 15 TYR HA 1 16 SER HA . . 5.500 4.516 4.499 4.526 . 0 0 "[ . 1]" 1
386 1 15 TYR HA 1 16 SER HB2 . . 5.500 5.570 5.565 5.587 0.087 9 0 "[ . 1]" 1
387 1 15 TYR HA 1 16 SER HB3 . . 4.400 4.322 4.309 4.331 . 0 0 "[ . 1]" 1
388 1 15 TYR HA 1 19 GLU HB2 . . 3.600 2.723 2.695 2.763 . 0 0 "[ . 1]" 1
389 1 15 TYR HA 1 19 GLU HB3 . . 3.710 2.673 2.626 2.697 . 0 0 "[ . 1]" 1
390 1 15 TYR HA 1 19 GLU HG2 . . 4.420 2.974 2.931 3.090 . 0 0 "[ . 1]" 1
391 1 15 TYR HA 1 19 GLU HG3 . . 5.500 3.833 3.797 3.880 . 0 0 "[ . 1]" 1
392 1 15 TYR HA 1 20 LEU H . . 5.460 4.126 4.113 4.143 . 0 0 "[ . 1]" 1
393 1 15 TYR HA 1 20 LEU HB2 . . 5.500 4.361 4.353 4.367 . 0 0 "[ . 1]" 1
394 1 15 TYR HA 1 23 LYS HD2 . . 5.500 4.412 4.402 4.424 . 0 0 "[ . 1]" 1
395 1 15 TYR HB2 1 16 SER H . . 4.260 3.327 3.307 3.374 . 0 0 "[ . 1]" 1
396 1 15 TYR HB2 1 16 SER HA . . 5.500 4.665 4.632 4.672 . 0 0 "[ . 1]" 1
397 1 15 TYR HB2 1 19 GLU HB2 . . 5.260 4.611 4.585 4.699 . 0 0 "[ . 1]" 1
398 1 15 TYR HB2 1 20 LEU H . . 4.570 4.437 4.428 4.460 . 0 0 "[ . 1]" 1
399 1 15 TYR HB2 1 20 LEU HA . . 5.210 4.331 4.297 4.349 . 0 0 "[ . 1]" 1
400 1 15 TYR HB2 1 20 LEU HB2 . . 4.760 3.078 3.068 3.115 . 0 0 "[ . 1]" 1
401 1 15 TYR HB2 1 20 LEU HB3 . . 5.340 4.718 4.707 4.751 . 0 0 "[ . 1]" 1
402 1 15 TYR HB2 1 20 LEU MD1 . . 5.330 4.206 4.192 4.218 . 0 0 "[ . 1]" 1
403 1 15 TYR HB2 1 20 LEU MD2 . . 5.500 3.860 3.840 3.874 . 0 0 "[ . 1]" 1
404 1 15 TYR HB2 1 54 LEU MD2 . . 5.430 3.637 3.634 3.641 . 0 0 "[ . 1]" 1
405 1 15 TYR HB3 1 16 SER H . . 3.670 2.200 2.185 2.238 . 0 0 "[ . 1]" 1
406 1 15 TYR HB3 1 16 SER HA . . 5.500 4.392 4.362 4.401 . 0 0 "[ . 1]" 1
407 1 15 TYR HB3 1 16 SER HB3 . . 5.430 5.366 5.354 5.387 . 0 0 "[ . 1]" 1
408 1 15 TYR HB3 1 19 GLU H . . 5.330 4.982 4.952 5.060 . 0 0 "[ . 1]" 1
409 1 15 TYR HB3 1 19 GLU HB2 . . 3.730 3.158 3.132 3.255 . 0 0 "[ . 1]" 1
410 1 15 TYR HB3 1 19 GLU HB3 . . 3.960 3.218 3.192 3.230 . 0 0 "[ . 1]" 1
411 1 15 TYR HB3 1 19 GLU HG3 . . 5.500 5.310 5.293 5.337 . 0 0 "[ . 1]" 1
412 1 15 TYR HB3 1 20 LEU H . . 3.640 2.814 2.808 2.827 . 0 0 "[ . 1]" 1
413 1 15 TYR HB3 1 20 LEU HA . . 4.830 3.015 2.981 3.024 . 0 0 "[ . 1]" 1
414 1 15 TYR HB3 1 20 LEU HB2 . . 4.400 2.033 2.028 2.045 . 0 0 "[ . 1]" 1
415 1 15 TYR HB3 1 20 LEU HB3 . . 5.340 3.695 3.689 3.709 . 0 0 "[ . 1]" 1
416 1 15 TYR HB3 1 20 LEU MD1 . . 4.890 4.085 4.077 4.091 . 0 0 "[ . 1]" 1
417 1 15 TYR HB3 1 20 LEU MD2 . . 5.500 3.427 3.393 3.440 . 0 0 "[ . 1]" 1
418 1 15 TYR HB3 1 23 LYS HE3 . . 5.500 4.326 4.273 4.515 . 0 0 "[ . 1]" 1
419 1 15 TYR QD 1 19 GLU HB2 . . 4.550 4.195 4.189 4.220 . 0 0 "[ . 1]" 1
420 1 15 TYR QD 1 19 GLU HB3 . . 3.570 3.234 3.222 3.240 . 0 0 "[ . 1]" 1
421 1 15 TYR QD 1 19 GLU HG2 . . 4.900 4.317 4.290 4.349 . 0 0 "[ . 1]" 1
422 1 15 TYR QD 1 19 GLU HG3 . . 5.120 4.319 4.281 4.366 . 0 0 "[ . 1]" 1
423 1 15 TYR QD 1 20 LEU H . . 5.280 4.667 4.660 4.684 . 0 0 "[ . 1]" 1
424 1 15 TYR QD 1 20 LEU HA . . 5.500 3.563 3.531 3.595 . 0 0 "[ . 1]" 1
425 1 15 TYR QD 1 20 LEU HB2 . . 5.230 3.488 3.465 3.544 . 0 0 "[ . 1]" 1
426 1 15 TYR QD 1 20 LEU HB3 . . 5.500 4.711 4.696 4.751 . 0 0 "[ . 1]" 1
427 1 15 TYR QD 1 20 LEU MD1 . . 4.880 3.660 3.656 3.665 . 0 0 "[ . 1]" 1
428 1 15 TYR QD 1 20 LEU MD2 . . 3.370 2.336 2.325 2.341 . 0 0 "[ . 1]" 1
429 1 15 TYR QD 1 23 LYS HD2 . . 3.770 3.209 3.200 3.217 . 0 0 "[ . 1]" 1
430 1 15 TYR QD 1 23 LYS HD3 . . 3.800 3.509 3.505 3.515 . 0 0 "[ . 1]" 1
431 1 15 TYR QD 1 23 LYS HE3 . . 5.500 2.383 2.358 2.514 . 0 0 "[ . 1]" 1
432 1 15 TYR QD 1 54 LEU MD2 . . 2.650 2.036 2.034 2.042 . 0 0 "[ . 1]" 1
433 1 15 TYR QE 1 19 GLU HB3 . . 5.460 4.869 4.861 4.881 . 0 0 "[ . 1]" 1
434 1 15 TYR QE 1 20 LEU HA . . 5.500 4.409 4.380 4.452 . 0 0 "[ . 1]" 1
435 1 15 TYR QE 1 20 LEU MD2 . . 4.240 2.896 2.871 2.928 . 0 0 "[ . 1]" 1
436 1 15 TYR QE 1 23 LYS HD2 . . 3.710 3.301 3.253 3.315 . 0 0 "[ . 1]" 1
437 1 15 TYR QE 1 23 LYS HD3 . . 3.250 2.511 2.483 2.531 . 0 0 "[ . 1]" 1
438 1 15 TYR QE 1 23 LYS HE3 . . 5.500 3.101 3.078 3.142 . 0 0 "[ . 1]" 1
439 1 15 TYR QE 1 53 VAL MG1 . . 3.270 2.301 2.264 2.376 . 0 0 "[ . 1]" 1
440 1 15 TYR QE 1 53 VAL MG2 . . 4.590 3.465 3.461 3.468 . 0 0 "[ . 1]" 1
441 1 15 TYR QE 1 54 LEU MD2 . . 3.540 2.360 2.333 2.400 . 0 0 "[ . 1]" 1
442 1 16 SER H 1 16 SER HB3 . . 3.360 3.269 3.249 3.283 . 0 0 "[ . 1]" 1
443 1 16 SER H 1 17 LEU H . . 4.560 4.286 4.278 4.295 . 0 0 "[ . 1]" 1
444 1 16 SER H 1 19 GLU H . . 4.120 3.339 3.318 3.373 . 0 0 "[ . 1]" 1
445 1 16 SER H 1 19 GLU HB2 . . 3.090 1.696 1.691 1.707 . 0 0 "[ . 1]" 1
446 1 16 SER H 1 19 GLU HB3 . . 3.630 2.855 2.807 2.875 . 0 0 "[ . 1]" 1
447 1 16 SER H 1 19 GLU HG2 . . 3.890 3.274 3.241 3.351 . 0 0 "[ . 1]" 1
448 1 16 SER H 1 20 LEU H . . 4.670 2.471 2.451 2.489 . 0 0 "[ . 1]" 1
449 1 16 SER H 1 20 LEU HA . . 4.430 4.356 4.319 4.379 . 0 0 "[ . 1]" 1
450 1 16 SER H 1 20 LEU HB2 . . 5.460 3.041 3.018 3.067 . 0 0 "[ . 1]" 1
451 1 16 SER HA 1 17 LEU HA . . 4.470 4.175 4.156 4.183 . 0 0 "[ . 1]" 1
452 1 16 SER HA 1 17 LEU MD1 . . 4.860 3.106 3.092 3.150 . 0 0 "[ . 1]" 1
453 1 16 SER HA 1 17 LEU HG . . 4.790 4.162 4.136 4.179 . 0 0 "[ . 1]" 1
454 1 16 SER HA 1 19 GLU HB2 . . 4.450 4.246 4.238 4.259 . 0 0 "[ . 1]" 1
455 1 16 SER HA 1 20 LEU HB2 . . 5.500 4.523 4.465 4.538 . 0 0 "[ . 1]" 1
456 1 16 SER HB2 1 17 LEU HB3 . . 5.500 5.602 5.576 5.609 0.109 2 0 "[ . 1]" 1
457 1 16 SER HB2 1 17 LEU MD1 . . 5.500 2.901 2.820 2.917 . 0 0 "[ . 1]" 1
458 1 16 SER HB2 1 17 LEU HG . . 5.500 4.883 4.815 4.898 . 0 0 "[ . 1]" 1
459 1 16 SER HB2 1 18 SER H . . 3.050 3.091 3.082 3.142 0.092 9 0 "[ . 1]" 1
460 1 16 SER HB2 1 19 GLU H . . 4.200 3.827 3.800 3.981 . 0 0 "[ . 1]" 1
461 1 16 SER HB2 1 19 GLU HB2 . . 4.510 4.323 4.307 4.372 . 0 0 "[ . 1]" 1
462 1 16 SER HB2 1 19 GLU HG2 . . 5.500 4.917 4.891 5.089 . 0 0 "[ . 1]" 1
463 1 16 SER HB3 1 17 LEU H . . 3.690 3.700 3.695 3.705 0.015 2 0 "[ . 1]" 1
464 1 16 SER HB3 1 17 LEU MD1 . . 5.160 4.308 4.295 4.316 . 0 0 "[ . 1]" 1
465 1 16 SER HB3 1 18 SER H . . 4.860 4.335 4.323 4.347 . 0 0 "[ . 1]" 1
466 1 16 SER HB3 1 19 GLU HB2 . . 3.640 3.700 3.688 3.729 0.089 9 0 "[ . 1]" 1
467 1 16 SER HB3 1 19 GLU HG2 . . 5.500 3.655 3.624 3.828 . 0 0 "[ . 1]" 1
468 1 17 LEU H 1 17 LEU MD1 . . 4.000 1.592 1.568 1.603 . 0 0 "[ . 1]" 1
469 1 17 LEU H 1 17 LEU HG . . 3.160 2.877 2.866 2.891 . 0 0 "[ . 1]" 1
470 1 17 LEU H 1 18 SER H . . 4.060 2.542 2.529 2.562 . 0 0 "[ . 1]" 1
471 1 17 LEU H 1 19 GLU H . . 5.390 4.236 4.214 4.297 . 0 0 "[ . 1]" 1
472 1 17 LEU H 1 19 GLU HB2 . . 4.980 5.003 4.998 5.008 0.028 7 0 "[ . 1]" 1
473 1 17 LEU H 1 28 LYS HG3 . . 5.500 5.110 5.052 5.259 . 0 0 "[ . 1]" 1
474 1 17 LEU HA 1 17 LEU MD1 . . 4.000 3.386 3.383 3.391 . 0 0 "[ . 1]" 1
475 1 17 LEU HA 1 17 LEU MD2 . . 4.360 3.415 3.404 3.425 . 0 0 "[ . 1]" 1
476 1 17 LEU HA 1 17 LEU HG . . 4.190 2.431 2.416 2.442 . 0 0 "[ . 1]" 1
477 1 17 LEU HA 1 20 LEU HB2 . . 5.110 3.848 3.821 3.875 . 0 0 "[ . 1]" 1
478 1 17 LEU HA 1 20 LEU HB3 . . 4.680 3.065 3.035 3.101 . 0 0 "[ . 1]" 1
479 1 17 LEU HA 1 31 LEU HB2 . . 4.940 2.954 2.912 3.007 . 0 0 "[ . 1]" 1
480 1 17 LEU HA 1 31 LEU HB3 . . 5.500 2.938 2.914 2.974 . 0 0 "[ . 1]" 1
481 1 17 LEU HA 1 31 LEU HG . . 5.500 3.384 3.360 3.413 . 0 0 "[ . 1]" 1
482 1 17 LEU HB2 1 17 LEU MD2 . . 3.270 2.528 2.515 2.548 . 0 0 "[ . 1]" 1
483 1 17 LEU HB2 1 28 LYS HE3 . . 3.390 2.487 2.269 2.636 . 0 0 "[ . 1]" 1
484 1 17 LEU HB2 1 28 LYS HG3 . . 4.130 3.051 2.968 3.178 . 0 0 "[ . 1]" 1
485 1 17 LEU HB2 1 32 SER H . . 4.490 4.539 4.529 4.552 0.062 9 0 "[ . 1]" 1
486 1 17 LEU HB2 1 32 SER HA . . 4.670 4.790 4.776 4.801 0.131 1 0 "[ . 1]" 1
487 1 17 LEU HB2 1 32 SER HB3 . . 5.110 3.815 3.776 3.846 . 0 0 "[ . 1]" 1
488 1 17 LEU HB3 1 17 LEU MD1 . . 3.600 3.090 3.084 3.093 . 0 0 "[ . 1]" 1
489 1 17 LEU HB3 1 17 LEU HG . . 2.960 2.685 2.668 2.705 . 0 0 "[ . 1]" 1
490 1 17 LEU HB3 1 18 SER HA . . 4.920 4.769 4.732 4.785 . 0 0 "[ . 1]" 1
491 1 17 LEU HB3 1 18 SER HB3 . . 5.500 5.616 5.613 5.633 0.133 9 0 "[ . 1]" 1
492 1 17 LEU HB3 1 28 LYS HE3 . . 5.500 3.447 3.037 3.734 . 0 0 "[ . 1]" 1
493 1 17 LEU HB3 1 28 LYS HG3 . . 5.090 3.498 3.458 3.561 . 0 0 "[ . 1]" 1
494 1 17 LEU HB3 1 32 SER HB3 . . 5.500 3.360 3.301 3.391 . 0 0 "[ . 1]" 1
495 1 17 LEU MD1 1 18 SER H . . 4.300 3.668 3.663 3.677 . 0 0 "[ . 1]" 1
496 1 17 LEU MD1 1 28 LYS HE3 . . 5.490 3.407 3.204 3.538 . 0 0 "[ . 1]" 1
497 1 17 LEU MD1 1 32 SER HB3 . . 4.960 4.156 4.152 4.158 . 0 0 "[ . 1]" 1
498 1 17 LEU MD2 1 28 LYS HD3 . . 4.400 3.749 3.742 3.753 . 0 0 "[ . 1]" 1
499 1 17 LEU MD2 1 28 LYS HG3 . . 5.500 4.514 4.448 4.582 . 0 0 "[ . 1]" 1
500 1 17 LEU MD2 1 32 SER HA . . 3.120 1.903 1.898 1.906 . 0 0 "[ . 1]" 1
501 1 17 LEU MD2 1 32 SER HB3 . . 3.920 2.140 2.110 2.188 . 0 0 "[ . 1]" 1
502 1 17 LEU MD2 1 35 GLU HB2 . . 5.500 3.039 2.960 3.127 . 0 0 "[ . 1]" 1
503 1 17 LEU HG 1 28 LYS HE3 . . 5.500 5.310 4.948 5.544 0.044 8 0 "[ . 1]" 1
504 1 17 LEU HG 1 32 SER HB3 . . 5.250 4.968 4.930 5.034 . 0 0 "[ . 1]" 1
505 1 18 SER H 1 18 SER HB3 . . 2.650 2.196 2.184 2.234 . 0 0 "[ . 1]" 1
506 1 18 SER H 1 19 GLU H . . 3.270 2.391 2.381 2.401 . 0 0 "[ . 1]" 1
507 1 18 SER H 1 19 GLU HB2 . . 4.360 4.179 4.131 4.201 . 0 0 "[ . 1]" 1
508 1 18 SER H 1 19 GLU HG2 . . 5.500 5.587 5.584 5.589 0.089 6 0 "[ . 1]" 1
509 1 18 SER H 1 20 LEU HB3 . . 5.380 5.035 5.009 5.082 . 0 0 "[ . 1]" 1
510 1 18 SER H 1 28 LYS HA . . 5.500 5.403 5.376 5.461 . 0 0 "[ . 1]" 1
511 1 18 SER H 1 28 LYS HE3 . . 5.030 4.530 4.317 4.717 . 0 0 "[ . 1]" 1
512 1 18 SER H 1 28 LYS HG3 . . 4.190 3.729 3.660 3.874 . 0 0 "[ . 1]" 1
513 1 18 SER HA 1 20 LEU HB3 . . 5.500 5.467 5.429 5.502 0.002 9 0 "[ . 1]" 1
514 1 18 SER HA 1 21 ALA MB . . 5.500 2.526 2.484 2.582 . 0 0 "[ . 1]" 1
515 1 18 SER HA 1 28 LYS HB3 . . 5.500 4.094 4.032 4.162 . 0 0 "[ . 1]" 1
516 1 18 SER HA 1 28 LYS HG3 . . 3.750 2.987 2.931 3.028 . 0 0 "[ . 1]" 1
517 1 18 SER HB3 1 19 GLU H . . 3.000 2.791 2.774 2.821 . 0 0 "[ . 1]" 1
518 1 18 SER O 1 22 GLU H . . 2.000 2.056 2.049 2.058 0.058 4 0 "[ . 1]" 1
519 1 18 SER O 1 22 GLU N . . 3.000 3.007 3.000 3.013 0.013 7 0 "[ . 1]" 1
520 1 19 GLU H 1 19 GLU HA . . 2.920 2.872 2.864 2.879 . 0 0 "[ . 1]" 1
521 1 19 GLU H 1 19 GLU HB2 . . 3.530 2.303 2.293 2.310 . 0 0 "[ . 1]" 1
522 1 19 GLU H 1 19 GLU HB3 . . 3.590 3.565 3.554 3.571 . 0 0 "[ . 1]" 1
523 1 19 GLU H 1 20 LEU H . . 3.060 2.816 2.795 2.866 . 0 0 "[ . 1]" 1
524 1 19 GLU H 1 20 LEU HB2 . . 5.460 4.866 4.852 4.911 . 0 0 "[ . 1]" 1
525 1 19 GLU H 1 20 LEU HB3 . . 5.350 5.096 5.074 5.163 . 0 0 "[ . 1]" 1
526 1 19 GLU HA 1 19 GLU HB3 . . 2.860 2.664 2.660 2.678 . 0 0 "[ . 1]" 1
527 1 19 GLU HA 1 19 GLU HG2 . . 3.750 3.744 3.713 3.750 . 0 0 "[ . 1]" 1
528 1 19 GLU HA 1 19 GLU HG3 . . 2.870 2.908 2.899 2.912 0.042 1 0 "[ . 1]" 1
529 1 19 GLU HA 1 22 GLU HG3 . . 3.700 3.123 2.949 3.164 . 0 0 "[ . 1]" 1
530 1 19 GLU HA 1 23 LYS HE3 . . 5.020 4.131 4.117 4.140 . 0 0 "[ . 1]" 1
531 1 19 GLU HA 1 23 LYS HG3 . . 4.660 3.786 3.756 3.803 . 0 0 "[ . 1]" 1
532 1 19 GLU HB2 1 19 GLU HG2 . . 2.400 2.228 2.224 2.234 . 0 0 "[ . 1]" 1
533 1 19 GLU HB2 1 20 LEU H . . 3.230 2.342 2.330 2.386 . 0 0 "[ . 1]" 1
534 1 19 GLU HB2 1 20 LEU HA . . 5.440 4.301 4.284 4.375 . 0 0 "[ . 1]" 1
535 1 19 GLU HB2 1 20 LEU HB2 . . 5.500 3.906 3.889 3.971 . 0 0 "[ . 1]" 1
536 1 19 GLU HB2 1 21 ALA H . . 4.850 4.925 4.915 4.949 0.099 9 0 "[ . 1]" 1
537 1 19 GLU HB2 1 23 LYS HD2 . . 5.500 4.558 4.533 4.619 . 0 0 "[ . 1]" 1
538 1 19 GLU HB2 1 23 LYS HE3 . . 4.720 3.933 3.903 4.046 . 0 0 "[ . 1]" 1
539 1 19 GLU HB3 1 19 GLU HG2 . . 2.910 2.553 2.544 2.564 . 0 0 "[ . 1]" 1
540 1 19 GLU HB3 1 19 GLU HG3 . . 2.820 2.281 2.275 2.293 . 0 0 "[ . 1]" 1
541 1 19 GLU HB3 1 20 LEU H . . 3.140 2.991 2.944 3.025 . 0 0 "[ . 1]" 1
542 1 19 GLU HB3 1 20 LEU HB2 . . 5.500 4.319 4.300 4.331 . 0 0 "[ . 1]" 1
543 1 19 GLU HB3 1 20 LEU HB3 . . 5.330 5.388 5.376 5.396 0.066 7 0 "[ . 1]" 1
544 1 19 GLU HB3 1 22 GLU HG3 . . 5.500 4.784 4.648 4.836 . 0 0 "[ . 1]" 1
545 1 19 GLU HB3 1 23 LYS HE3 . . 3.710 2.302 2.271 2.415 . 0 0 "[ . 1]" 1
546 1 19 GLU HG2 1 23 LYS HD2 . . 5.500 5.566 5.561 5.582 0.082 9 0 "[ . 1]" 1
547 1 19 GLU HG2 1 23 LYS HE3 . . 4.270 3.898 3.864 3.943 . 0 0 "[ . 1]" 1
548 1 19 GLU HG3 1 23 LYS HD2 . . 5.500 4.846 4.778 4.882 . 0 0 "[ . 1]" 1
549 1 19 GLU HG3 1 23 LYS HE3 . . 4.760 2.955 2.862 3.009 . 0 0 "[ . 1]" 1
550 1 19 GLU O 1 23 LYS H . . 2.000 2.049 2.044 2.063 0.063 5 0 "[ . 1]" 1
551 1 19 GLU O 1 23 LYS N . . 3.000 2.980 2.971 3.005 0.005 5 0 "[ . 1]" 1
552 1 20 LEU H 1 20 LEU HB2 . . 2.960 2.209 2.206 2.216 . 0 0 "[ . 1]" 1
553 1 20 LEU H 1 20 LEU MD2 . . 4.760 4.015 4.011 4.019 . 0 0 "[ . 1]" 1
554 1 20 LEU HA 1 20 LEU MD2 . . 2.630 1.950 1.945 1.953 . 0 0 "[ . 1]" 1
555 1 20 LEU HA 1 20 LEU HG . . 4.250 3.199 3.189 3.204 . 0 0 "[ . 1]" 1
556 1 20 LEU HA 1 23 LYS H . . 4.810 3.545 3.530 3.580 . 0 0 "[ . 1]" 1
557 1 20 LEU HA 1 23 LYS HB2 . . 3.380 2.620 2.602 2.659 . 0 0 "[ . 1]" 1
558 1 20 LEU HA 1 23 LYS HD2 . . 5.500 2.627 2.597 2.709 . 0 0 "[ . 1]" 1
559 1 20 LEU HA 1 23 LYS HE3 . . 5.500 4.538 4.493 4.686 . 0 0 "[ . 1]" 1
560 1 20 LEU HA 1 23 LYS HG2 . . 5.500 5.025 4.997 5.093 . 0 0 "[ . 1]" 1
561 1 20 LEU HA 1 23 LYS HG3 . . 5.500 3.971 3.942 4.054 . 0 0 "[ . 1]" 1
562 1 20 LEU HA 1 24 ALA H . . 4.150 3.593 3.582 3.613 . 0 0 "[ . 1]" 1
563 1 20 LEU HA 1 24 ALA MB . . 5.500 4.023 4.020 4.031 . 0 0 "[ . 1]" 1
564 1 20 LEU HB2 1 20 LEU MD1 . . 3.070 2.651 2.647 2.658 . 0 0 "[ . 1]" 1
565 1 20 LEU HB2 1 20 LEU MD2 . . 3.320 2.906 2.902 2.915 . 0 0 "[ . 1]" 1
566 1 20 LEU HB2 1 21 ALA H . . 4.140 3.681 3.663 3.689 . 0 0 "[ . 1]" 1
567 1 20 LEU HB2 1 31 LEU HB3 . . 5.500 5.241 5.220 5.253 . 0 0 "[ . 1]" 1
568 1 20 LEU HB3 1 20 LEU MD1 . . 3.180 2.151 2.148 2.160 . 0 0 "[ . 1]" 1
569 1 20 LEU HB3 1 21 ALA H . . 3.080 2.556 2.547 2.563 . 0 0 "[ . 1]" 1
570 1 20 LEU HB3 1 21 ALA HA . . 4.620 4.305 4.279 4.321 . 0 0 "[ . 1]" 1
571 1 20 LEU HB3 1 31 LEU HB3 . . 5.500 3.950 3.930 3.971 . 0 0 "[ . 1]" 1
572 1 20 LEU HB3 1 31 LEU HG . . 2.920 2.427 2.413 2.449 . 0 0 "[ . 1]" 1
573 1 20 LEU MD1 1 31 LEU HB3 . . 4.050 3.183 3.159 3.215 . 0 0 "[ . 1]" 1
574 1 20 LEU MD1 1 31 LEU HG . . 3.420 2.203 2.188 2.227 . 0 0 "[ . 1]" 1
575 1 20 LEU MD1 1 50 VAL HA . . 5.470 4.610 4.605 4.619 . 0 0 "[ . 1]" 1
576 1 20 LEU MD1 1 50 VAL MG1 . . 5.500 3.748 3.734 3.769 . 0 0 "[ . 1]" 1
577 1 20 LEU MD1 1 50 VAL MG2 . . 4.160 2.004 1.997 2.014 . 0 0 "[ . 1]" 1
578 1 20 LEU MD1 1 54 LEU MD1 . . 3.270 2.264 2.253 2.270 . 0 0 "[ . 1]" 1
579 1 20 LEU MD2 1 23 LYS HB2 . . 5.360 3.050 3.022 3.085 . 0 0 "[ . 1]" 1
580 1 20 LEU MD2 1 23 LYS HD2 . . 4.270 3.389 3.354 3.465 . 0 0 "[ . 1]" 1
581 1 20 LEU MD2 1 24 ALA H . . 3.800 3.128 3.113 3.147 . 0 0 "[ . 1]" 1
582 1 20 LEU MD2 1 24 ALA MB . . 4.560 2.317 2.304 2.343 . 0 0 "[ . 1]" 1
583 1 20 LEU MD2 1 31 LEU MD1 . . 5.500 3.492 3.477 3.537 . 0 0 "[ . 1]" 1
584 1 20 LEU MD2 1 50 VAL MG2 . . 4.890 1.965 1.948 1.983 . 0 0 "[ . 1]" 1
585 1 20 LEU MD2 1 54 LEU HB2 . . 5.500 4.541 4.531 4.550 . 0 0 "[ . 1]" 1
586 1 20 LEU MD2 1 54 LEU HG . . 2.820 2.312 2.300 2.323 . 0 0 "[ . 1]" 1
587 1 20 LEU HG 1 31 LEU MD1 . . 5.500 4.581 4.572 4.596 . 0 0 "[ . 1]" 1
588 1 20 LEU HG 1 50 VAL MG2 . . 5.500 3.777 3.763 3.804 . 0 0 "[ . 1]" 1
589 1 20 LEU O 1 24 ALA H . . 2.000 1.792 1.790 1.795 . 0 0 "[ . 1]" 1
590 1 20 LEU O 1 24 ALA N . . 3.000 2.780 2.777 2.784 . 0 0 "[ . 1]" 1
591 1 21 ALA H 1 21 ALA HA . . 2.910 2.783 2.778 2.791 . 0 0 "[ . 1]" 1
592 1 21 ALA H 1 21 ALA MB . . 3.190 2.232 2.231 2.234 . 0 0 "[ . 1]" 1
593 1 21 ALA H 1 22 GLU HG3 . . 5.460 5.433 5.210 5.467 0.007 1 0 "[ . 1]" 1
594 1 21 ALA H 1 31 LEU MD2 . . 3.620 3.083 3.076 3.102 . 0 0 "[ . 1]" 1
595 1 21 ALA H 1 31 LEU HG . . 3.750 3.293 3.263 3.329 . 0 0 "[ . 1]" 1
596 1 21 ALA HA 1 24 ALA H . . 4.640 3.778 3.768 3.785 . 0 0 "[ . 1]" 1
597 1 21 ALA HA 1 24 ALA MB . . 3.400 2.379 2.369 2.383 . 0 0 "[ . 1]" 1
598 1 21 ALA HA 1 26 VAL HA . . 5.240 5.195 5.186 5.205 . 0 0 "[ . 1]" 1
599 1 21 ALA HA 1 26 VAL HB . . 4.860 4.506 4.498 4.520 . 0 0 "[ . 1]" 1
600 1 21 ALA HA 1 26 VAL MG2 . . 2.400 1.905 1.901 1.910 . 0 0 "[ . 1]" 1
601 1 21 ALA HA 1 31 LEU MD1 . . 5.500 3.933 3.916 3.952 . 0 0 "[ . 1]" 1
602 1 21 ALA HA 1 31 LEU MD2 . . 2.880 2.105 2.094 2.118 . 0 0 "[ . 1]" 1
603 1 21 ALA HA 1 31 LEU HG . . 5.500 3.776 3.752 3.795 . 0 0 "[ . 1]" 1
604 1 21 ALA HA 1 46 PHE QE . . 5.500 4.907 4.901 4.915 . 0 0 "[ . 1]" 1
605 1 21 ALA MB 1 22 GLU H . . 5.010 2.591 2.576 2.611 . 0 0 "[ . 1]" 1
606 1 21 ALA MB 1 22 GLU HA . . 4.930 3.889 3.882 3.901 . 0 0 "[ . 1]" 1
607 1 21 ALA MB 1 26 VAL H . . 4.090 3.451 3.450 3.454 . 0 0 "[ . 1]" 1
608 1 21 ALA MB 1 26 VAL HB . . 5.500 4.342 4.330 4.359 . 0 0 "[ . 1]" 1
609 1 21 ALA MB 1 26 VAL MG2 . . 5.500 2.373 2.354 2.389 . 0 0 "[ . 1]" 1
610 1 21 ALA MB 1 28 LYS H . . 5.350 2.895 2.874 2.910 . 0 0 "[ . 1]" 1
611 1 21 ALA MB 1 28 LYS HA . . 2.880 2.041 2.035 2.051 . 0 0 "[ . 1]" 1
612 1 21 ALA MB 1 31 LEU HB2 . . 4.060 3.428 3.421 3.432 . 0 0 "[ . 1]" 1
613 1 21 ALA MB 1 31 LEU MD2 . . 2.670 1.899 1.898 1.901 . 0 0 "[ . 1]" 1
614 1 22 GLU H 1 22 GLU HB3 . . 2.900 2.765 2.754 2.770 . 0 0 "[ . 1]" 1
615 1 22 GLU H 1 22 GLU HG3 . . 3.190 2.917 2.724 2.963 . 0 0 "[ . 1]" 1
616 1 22 GLU H 1 23 LYS H . . 3.370 2.546 2.542 2.550 . 0 0 "[ . 1]" 1
617 1 22 GLU H 1 24 ALA MB . . 5.300 4.526 4.524 4.530 . 0 0 "[ . 1]" 1
618 1 22 GLU HA 1 22 GLU HB2 . . 2.550 2.384 2.373 2.387 . 0 0 "[ . 1]" 1
619 1 22 GLU HA 1 22 GLU HB3 . . 2.730 2.454 2.452 2.457 . 0 0 "[ . 1]" 1
620 1 22 GLU HB2 1 23 LYS HG2 . . 5.500 5.576 5.563 5.585 0.085 9 0 "[ . 1]" 1
621 1 22 GLU HB2 1 23 LYS HG3 . . 5.500 4.585 4.537 4.609 . 0 0 "[ . 1]" 1
622 1 22 GLU HB2 1 25 GLY H . . 5.490 5.499 5.493 5.519 0.029 5 0 "[ . 1]" 1
623 1 22 GLU HB3 1 22 GLU HG3 . . 2.730 2.901 2.858 2.909 0.179 7 0 "[ . 1]" 1
624 1 22 GLU HG2 1 23 LYS H . . 3.610 3.477 3.431 3.637 0.027 5 0 "[ . 1]" 1
625 1 22 GLU HG2 1 23 LYS HE3 . . 5.500 5.524 5.519 5.528 0.028 9 0 "[ . 1]" 1
626 1 22 GLU HG2 1 23 LYS HG2 . . 5.500 5.157 5.131 5.228 . 0 0 "[ . 1]" 1
627 1 22 GLU HG2 1 23 LYS HG3 . . 5.330 3.613 3.592 3.698 . 0 0 "[ . 1]" 1
628 1 22 GLU HG3 1 23 LYS HE3 . . 5.500 5.073 4.964 5.107 . 0 0 "[ . 1]" 1
629 1 22 GLU HG3 1 25 GLY H . . 5.500 5.568 5.539 5.576 0.076 9 0 "[ . 1]" 1
630 1 23 LYS H 1 23 LYS HB2 . . 2.840 2.352 2.344 2.363 . 0 0 "[ . 1]" 1
631 1 23 LYS H 1 23 LYS HG3 . . 4.130 2.376 2.357 2.383 . 0 0 "[ . 1]" 1
632 1 23 LYS H 1 24 ALA H . . 2.830 2.585 2.569 2.597 . 0 0 "[ . 1]" 1
633 1 23 LYS H 1 24 ALA MB . . 4.530 3.826 3.823 3.837 . 0 0 "[ . 1]" 1
634 1 23 LYS H 1 25 GLY H . . 3.890 3.797 3.781 3.823 . 0 0 "[ . 1]" 1
635 1 23 LYS HA 1 23 LYS HD2 . . 5.500 4.698 4.688 4.719 . 0 0 "[ . 1]" 1
636 1 23 LYS HA 1 23 LYS HG2 . . 3.730 2.564 2.553 2.576 . 0 0 "[ . 1]" 1
637 1 23 LYS HB2 1 23 LYS HD2 . . 2.950 2.449 2.438 2.461 . 0 0 "[ . 1]" 1
638 1 23 LYS HB2 1 23 LYS HE3 . . 5.500 4.687 4.674 4.732 . 0 0 "[ . 1]" 1
639 1 23 LYS HB2 1 23 LYS HG3 . . 2.510 2.543 2.542 2.544 0.034 4 0 "[ . 1]" 1
640 1 23 LYS HB2 1 24 ALA H . . 3.150 2.257 2.253 2.265 . 0 0 "[ . 1]" 1
641 1 23 LYS HB2 1 24 ALA HA . . 5.500 4.362 4.338 4.378 . 0 0 "[ . 1]" 1
642 1 23 LYS HB2 1 24 ALA MB . . 4.900 3.744 3.735 3.752 . 0 0 "[ . 1]" 1
643 1 23 LYS HB2 1 25 GLY H . . 4.750 4.803 4.799 4.813 0.063 5 0 "[ . 1]" 1
644 1 23 LYS HB2 1 53 VAL MG1 . . 3.680 2.779 2.769 2.788 . 0 0 "[ . 1]" 1
645 1 23 LYS HB3 1 23 LYS HD3 . . 3.180 2.966 2.944 3.034 . 0 0 "[ . 1]" 1
646 1 23 LYS HB3 1 23 LYS HE3 . . 5.500 5.057 5.050 5.078 . 0 0 "[ . 1]" 1
647 1 23 LYS HB3 1 23 LYS HG2 . . 2.550 2.420 2.414 2.423 . 0 0 "[ . 1]" 1
648 1 23 LYS HB3 1 24 ALA HA . . 5.500 4.485 4.480 4.496 . 0 0 "[ . 1]" 1
649 1 23 LYS HB3 1 53 VAL MG1 . . 4.040 3.078 3.062 3.111 . 0 0 "[ . 1]" 1
650 1 23 LYS HB3 1 53 VAL MG2 . . 3.430 2.075 2.065 2.085 . 0 0 "[ . 1]" 1
651 1 23 LYS HD2 1 53 VAL MG1 . . 4.550 3.873 3.867 3.880 . 0 0 "[ . 1]" 1
652 1 23 LYS HD3 1 53 VAL MG2 . . 5.340 3.988 3.960 4.070 . 0 0 "[ . 1]" 1
653 1 23 LYS HG2 1 53 VAL MG2 . . 5.050 4.020 4.002 4.036 . 0 0 "[ . 1]" 1
654 1 24 ALA H 1 24 ALA MB . . 3.470 2.052 2.049 2.056 . 0 0 "[ . 1]" 1
655 1 24 ALA H 1 25 GLY H . . 2.980 2.876 2.866 2.882 . 0 0 "[ . 1]" 1
656 1 24 ALA H 1 50 VAL HA . . 5.500 4.387 4.373 4.415 . 0 0 "[ . 1]" 1
657 1 24 ALA H 1 50 VAL MG2 . . 5.500 4.659 4.657 4.660 . 0 0 "[ . 1]" 1
658 1 24 ALA H 1 53 VAL MG2 . . 4.130 2.925 2.911 2.929 . 0 0 "[ . 1]" 1
659 1 24 ALA HA 1 49 LYS HB3 . . 5.500 3.871 3.831 3.924 . 0 0 "[ . 1]" 1
660 1 24 ALA HA 1 49 LYS HE3 . . 5.500 4.762 4.735 4.825 . 0 0 "[ . 1]" 1
661 1 24 ALA HA 1 50 VAL HA . . 4.040 2.660 2.652 2.669 . 0 0 "[ . 1]" 1
662 1 24 ALA HA 1 50 VAL MG1 . . 5.500 4.723 4.721 4.731 . 0 0 "[ . 1]" 1
663 1 24 ALA HA 1 53 VAL HB . . 5.500 2.140 2.116 2.155 . 0 0 "[ . 1]" 1
664 1 24 ALA HA 1 53 VAL MG1 . . 3.330 2.489 2.479 2.508 . 0 0 "[ . 1]" 1
665 1 24 ALA HA 1 53 VAL MG2 . . 2.660 2.371 2.367 2.383 . 0 0 "[ . 1]" 1
666 1 24 ALA MB 1 25 GLY H . . 3.390 2.437 2.428 2.448 . 0 0 "[ . 1]" 1
667 1 24 ALA MB 1 26 VAL H . . 3.560 2.862 2.847 2.889 . 0 0 "[ . 1]" 1
668 1 24 ALA MB 1 26 VAL HA . . 5.500 4.497 4.489 4.508 . 0 0 "[ . 1]" 1
669 1 24 ALA MB 1 26 VAL HB . . 4.770 4.068 4.059 4.075 . 0 0 "[ . 1]" 1
670 1 24 ALA MB 1 26 VAL MG2 . . 2.620 1.871 1.869 1.873 . 0 0 "[ . 1]" 1
671 1 24 ALA MB 1 31 LEU MD1 . . 5.500 3.464 3.432 3.490 . 0 0 "[ . 1]" 1
672 1 24 ALA MB 1 31 LEU HG . . 5.500 4.403 4.380 4.423 . 0 0 "[ . 1]" 1
673 1 24 ALA MB 1 49 LYS HB2 . . 5.500 3.510 3.485 3.544 . 0 0 "[ . 1]" 1
674 1 24 ALA MB 1 49 LYS HB3 . . 4.540 2.947 2.937 2.961 . 0 0 "[ . 1]" 1
675 1 24 ALA MB 1 50 VAL H . . 3.990 3.381 3.375 3.392 . 0 0 "[ . 1]" 1
676 1 24 ALA MB 1 50 VAL HA . . 2.890 2.339 2.329 2.347 . 0 0 "[ . 1]" 1
677 1 24 ALA MB 1 50 VAL HB . . 5.190 1.926 1.922 1.931 . 0 0 "[ . 1]" 1
678 1 24 ALA MB 1 50 VAL MG1 . . 4.150 2.926 2.922 2.929 . 0 0 "[ . 1]" 1
679 1 24 ALA MB 1 50 VAL MG2 . . 5.500 2.777 2.764 2.784 . 0 0 "[ . 1]" 1
680 1 24 ALA MB 1 53 VAL MG1 . . 3.110 2.189 2.186 2.193 . 0 0 "[ . 1]" 1
681 1 25 GLY H 1 26 VAL H . . 3.260 2.295 2.288 2.305 . 0 0 "[ . 1]" 1
682 1 25 GLY H 1 26 VAL MG2 . . 3.940 3.264 3.236 3.283 . 0 0 "[ . 1]" 1
683 1 25 GLY HA3 1 26 VAL HA . . 4.990 4.674 4.661 4.679 . 0 0 "[ . 1]" 1
684 1 25 GLY HA3 1 26 VAL MG1 . . 4.780 3.523 3.498 3.535 . 0 0 "[ . 1]" 1
685 1 25 GLY HA3 1 26 VAL MG2 . . 5.500 4.686 4.683 4.690 . 0 0 "[ . 1]" 1
686 1 25 GLY HA3 1 49 LYS HB3 . . 5.500 3.780 3.720 3.816 . 0 0 "[ . 1]" 1
687 1 25 GLY HA3 1 49 LYS HE3 . . 3.940 2.221 2.219 2.225 . 0 0 "[ . 1]" 1
688 1 26 VAL H 1 26 VAL HB . . 3.870 3.870 3.869 3.872 0.002 2 0 "[ . 1]" 1
689 1 26 VAL H 1 26 VAL MG2 . . 3.590 2.157 2.152 2.165 . 0 0 "[ . 1]" 1
690 1 26 VAL H 1 27 ALA HA . . 5.350 4.996 4.984 5.018 . 0 0 "[ . 1]" 1
691 1 26 VAL H 1 49 LYS HB3 . . 5.500 4.906 4.880 4.953 . 0 0 "[ . 1]" 1
692 1 26 VAL H 1 49 LYS HE3 . . 5.500 4.976 4.957 5.057 . 0 0 "[ . 1]" 1
693 1 26 VAL HA 1 26 VAL HB . . 2.540 2.300 2.295 2.303 . 0 0 "[ . 1]" 1
694 1 26 VAL HA 1 26 VAL MG1 . . 2.430 2.174 2.172 2.177 . 0 0 "[ . 1]" 1
695 1 26 VAL HA 1 26 VAL MG2 . . 3.540 3.081 3.080 3.083 . 0 0 "[ . 1]" 1
696 1 26 VAL HA 1 27 ALA MB . . 4.690 3.994 3.992 3.995 . 0 0 "[ . 1]" 1
697 1 26 VAL HA 1 30 TYR QD . . 5.500 4.642 4.550 4.728 . 0 0 "[ . 1]" 1
698 1 26 VAL HA 1 46 PHE QD . . 5.500 4.009 3.978 4.027 . 0 0 "[ . 1]" 1
699 1 26 VAL HA 1 46 PHE QE . . 5.500 4.947 4.942 4.953 . 0 0 "[ . 1]" 1
700 1 26 VAL HA 1 49 LYS HB3 . . 5.500 4.996 4.982 5.037 . 0 0 "[ . 1]" 1
701 1 26 VAL HA 1 49 LYS HD3 . . 5.500 3.639 3.623 3.662 . 0 0 "[ . 1]" 1
702 1 26 VAL HA 1 49 LYS HE3 . . 5.500 5.216 5.173 5.291 . 0 0 "[ . 1]" 1
703 1 26 VAL HB 1 27 ALA H . . 4.500 2.014 2.007 2.018 . 0 0 "[ . 1]" 1
704 1 26 VAL HB 1 27 ALA HA . . 5.110 4.802 4.796 4.807 . 0 0 "[ . 1]" 1
705 1 26 VAL HB 1 27 ALA MB . . 5.500 3.838 3.827 3.849 . 0 0 "[ . 1]" 1
706 1 26 VAL HB 1 30 TYR H . . 5.500 5.085 5.070 5.116 . 0 0 "[ . 1]" 1
707 1 26 VAL HB 1 30 TYR HB2 . . 4.500 3.074 3.051 3.111 . 0 0 "[ . 1]" 1
708 1 26 VAL HB 1 30 TYR HB3 . . 4.470 3.700 3.668 3.736 . 0 0 "[ . 1]" 1
709 1 26 VAL HB 1 30 TYR QD . . 4.440 3.575 3.491 3.661 . 0 0 "[ . 1]" 1
710 1 26 VAL HB 1 46 PHE QD . . 3.380 2.383 2.342 2.414 . 0 0 "[ . 1]" 1
711 1 26 VAL HB 1 46 PHE QE . . 3.230 2.722 2.716 2.730 . 0 0 "[ . 1]" 1
712 1 26 VAL HB 1 49 LYS HB3 . . 5.380 5.194 5.187 5.203 . 0 0 "[ . 1]" 1
713 1 26 VAL MG1 1 27 ALA H . . 4.060 3.515 3.511 3.517 . 0 0 "[ . 1]" 1
714 1 26 VAL MG1 1 30 TYR HB3 . . 5.500 4.555 4.540 4.580 . 0 0 "[ . 1]" 1
715 1 26 VAL MG1 1 31 LEU MD1 . . 5.500 3.898 3.897 3.900 . 0 0 "[ . 1]" 1
716 1 26 VAL MG1 1 46 PHE HA . . 5.070 2.871 2.832 2.916 . 0 0 "[ . 1]" 1
717 1 26 VAL MG1 1 46 PHE HB3 . . 5.500 4.613 4.597 4.624 . 0 0 "[ . 1]" 1
718 1 26 VAL MG1 1 49 LYS HB2 . . 4.850 2.447 2.433 2.471 . 0 0 "[ . 1]" 1
719 1 26 VAL MG1 1 49 LYS HB3 . . 2.690 2.273 2.267 2.286 . 0 0 "[ . 1]" 1
720 1 26 VAL MG1 1 49 LYS HD3 . . 5.500 2.177 2.151 2.188 . 0 0 "[ . 1]" 1
721 1 26 VAL MG1 1 50 VAL H . . 3.890 3.351 3.347 3.354 . 0 0 "[ . 1]" 1
722 1 26 VAL MG1 1 50 VAL MG1 . . 3.690 2.490 2.472 2.512 . 0 0 "[ . 1]" 1
723 1 26 VAL MG2 1 27 ALA H . . 4.370 2.717 2.706 2.724 . 0 0 "[ . 1]" 1
724 1 26 VAL MG2 1 27 ALA HA . . 5.500 4.050 4.046 4.055 . 0 0 "[ . 1]" 1
725 1 26 VAL MG2 1 28 LYS H . . 5.500 4.596 4.592 4.598 . 0 0 "[ . 1]" 1
726 1 26 VAL MG2 1 28 LYS HA . . 4.690 3.979 3.968 3.995 . 0 0 "[ . 1]" 1
727 1 26 VAL MG2 1 30 TYR H . . 5.360 4.464 4.453 4.475 . 0 0 "[ . 1]" 1
728 1 26 VAL MG2 1 30 TYR HB2 . . 3.760 3.208 3.202 3.214 . 0 0 "[ . 1]" 1
729 1 26 VAL MG2 1 30 TYR HB3 . . 5.500 3.420 3.400 3.442 . 0 0 "[ . 1]" 1
730 1 26 VAL MG2 1 31 LEU MD2 . . 2.450 1.777 1.775 1.779 . 0 0 "[ . 1]" 1
731 1 26 VAL MG2 1 46 PHE QE . . 2.730 2.086 2.083 2.092 . 0 0 "[ . 1]" 1
732 1 26 VAL MG2 1 49 LYS HD3 . . 5.500 4.605 4.596 4.611 . 0 0 "[ . 1]" 1
733 1 26 VAL MG2 1 50 VAL HB . . 5.500 3.024 3.017 3.033 . 0 0 "[ . 1]" 1
734 1 27 ALA H 1 30 TYR H . . 4.980 3.935 3.913 3.967 . 0 0 "[ . 1]" 1
735 1 27 ALA H 1 30 TYR HB2 . . 4.300 2.677 2.647 2.710 . 0 0 "[ . 1]" 1
736 1 27 ALA H 1 30 TYR HB3 . . 4.390 4.091 4.051 4.134 . 0 0 "[ . 1]" 1
737 1 27 ALA H 1 31 LEU MD2 . . 4.500 3.770 3.767 3.774 . 0 0 "[ . 1]" 1
738 1 27 ALA HA 1 28 LYS HA . . 4.560 4.552 4.548 4.558 . 0 0 "[ . 1]" 1
739 1 27 ALA HA 1 28 LYS HB3 . . 5.120 5.015 4.993 5.030 . 0 0 "[ . 1]" 1
740 1 27 ALA MB 1 28 LYS H . . 5.500 3.179 3.172 3.187 . 0 0 "[ . 1]" 1
741 1 27 ALA MB 1 29 SER HB3 . . 3.360 2.789 2.721 2.804 . 0 0 "[ . 1]" 1
742 1 27 ALA MB 1 30 TYR H . . 3.080 2.360 2.345 2.372 . 0 0 "[ . 1]" 1
743 1 27 ALA MB 1 30 TYR HA . . 4.940 4.108 4.076 4.120 . 0 0 "[ . 1]" 1
744 1 27 ALA MB 1 30 TYR HB2 . . 3.970 2.590 2.570 2.612 . 0 0 "[ . 1]" 1
745 1 27 ALA MB 1 30 TYR QD . . 3.950 2.485 2.463 2.520 . 0 0 "[ . 1]" 1
746 1 28 LYS H 1 28 LYS HG3 . . 5.500 4.782 4.770 4.788 . 0 0 "[ . 1]" 1
747 1 28 LYS H 1 29 SER H . . 5.500 2.670 2.659 2.675 . 0 0 "[ . 1]" 1
748 1 28 LYS HA 1 28 LYS HD3 . . 3.850 3.855 3.844 3.864 0.014 10 0 "[ . 1]" 1
749 1 28 LYS HA 1 28 LYS HG3 . . 3.490 3.496 3.472 3.511 0.021 5 0 "[ . 1]" 1
750 1 28 LYS HA 1 30 TYR H . . 4.380 3.849 3.830 3.863 . 0 0 "[ . 1]" 1
751 1 28 LYS HA 1 31 LEU H . . 3.700 3.096 3.067 3.128 . 0 0 "[ . 1]" 1
752 1 28 LYS HA 1 31 LEU HB2 . . 3.580 3.080 3.053 3.129 . 0 0 "[ . 1]" 1
753 1 28 LYS HA 1 31 LEU HB3 . . 5.250 4.834 4.805 4.884 . 0 0 "[ . 1]" 1
754 1 28 LYS HA 1 31 LEU MD2 . . 5.390 2.296 2.263 2.340 . 0 0 "[ . 1]" 1
755 1 28 LYS HA 1 31 LEU HG . . 5.500 4.424 4.396 4.475 . 0 0 "[ . 1]" 1
756 1 28 LYS HA 1 32 SER H . . 4.840 3.938 3.924 3.945 . 0 0 "[ . 1]" 1
757 1 28 LYS HB3 1 28 LYS HD3 . . 3.000 3.084 3.061 3.120 0.120 7 0 "[ . 1]" 1
758 1 28 LYS HB3 1 28 LYS HE3 . . 5.500 4.369 4.237 4.542 . 0 0 "[ . 1]" 1
759 1 28 LYS HB3 1 29 SER HA . . 4.520 4.084 4.045 4.106 . 0 0 "[ . 1]" 1
760 1 28 LYS HB3 1 29 SER HB3 . . 5.500 5.060 5.020 5.083 . 0 0 "[ . 1]" 1
761 1 28 LYS HB3 1 30 TYR H . . 5.260 4.962 4.924 4.992 . 0 0 "[ . 1]" 1
762 1 28 LYS HD3 1 28 LYS HG3 . . 2.750 2.882 2.865 2.894 0.144 1 0 "[ . 1]" 1
763 1 28 LYS HD3 1 30 TYR H . . 5.080 5.051 5.032 5.079 . 0 0 "[ . 1]" 1
764 1 28 LYS HD3 1 32 SER H . . 4.350 3.061 3.008 3.103 . 0 0 "[ . 1]" 1
765 1 28 LYS HD3 1 32 SER HB3 . . 3.810 2.464 2.395 2.528 . 0 0 "[ . 1]" 1
766 1 28 LYS HG3 1 29 SER HA . . 5.110 5.292 5.280 5.308 0.198 10 0 "[ . 1]" 1
767 1 28 LYS HG3 1 32 SER H . . 4.800 4.924 4.916 4.936 0.136 9 0 "[ . 1]" 1
768 1 28 LYS O 1 32 SER H . . 2.000 1.865 1.859 1.871 . 0 0 "[ . 1]" 1
769 1 28 LYS O 1 32 SER N . . 3.000 2.882 2.875 2.887 . 0 0 "[ . 1]" 1
770 1 29 SER HA 1 29 SER HB3 . . 3.000 3.040 3.038 3.044 0.044 9 0 "[ . 1]" 1
771 1 29 SER HA 1 32 SER H . . 3.670 3.525 3.501 3.597 . 0 0 "[ . 1]" 1
772 1 29 SER HB3 1 30 TYR H . . 3.470 3.075 3.035 3.096 . 0 0 "[ . 1]" 1
773 1 29 SER O 1 33 SER H . . 2.000 2.051 2.040 2.055 0.055 6 0 "[ . 1]" 1
774 1 29 SER O 1 33 SER N . . 3.000 3.003 2.997 3.007 0.007 6 0 "[ . 1]" 1
775 1 30 TYR H 1 30 TYR HB2 . . 3.220 2.322 2.312 2.327 . 0 0 "[ . 1]" 1
776 1 30 TYR H 1 31 LEU H . . 3.130 2.778 2.767 2.785 . 0 0 "[ . 1]" 1
777 1 30 TYR H 1 31 LEU HB2 . . 4.970 5.010 5.006 5.017 0.047 9 0 "[ . 1]" 1
778 1 30 TYR H 1 32 SER H . . 4.310 4.244 4.235 4.253 . 0 0 "[ . 1]" 1
779 1 30 TYR HA 1 30 TYR HB3 . . 2.840 2.818 2.809 2.826 . 0 0 "[ . 1]" 1
780 1 30 TYR HA 1 30 TYR QD . . 3.090 2.755 2.738 2.773 . 0 0 "[ . 1]" 1
781 1 30 TYR HA 1 30 TYR QE . . 5.090 4.382 4.352 4.445 . 0 0 "[ . 1]" 1
782 1 30 TYR HA 1 31 LEU HA . . 5.060 4.528 4.518 4.542 . 0 0 "[ . 1]" 1
783 1 30 TYR HA 1 32 SER H . . 4.670 4.762 4.745 4.770 0.100 9 0 "[ . 1]" 1
784 1 30 TYR HA 1 33 SER H . . 3.510 3.567 3.557 3.578 0.068 4 0 "[ . 1]" 1
785 1 30 TYR HA 1 33 SER HB3 . . 3.100 2.952 2.893 3.099 . 0 0 "[ . 1]" 1
786 1 30 TYR HA 1 34 ILE H . . 4.320 3.607 3.579 3.623 . 0 0 "[ . 1]" 1
787 1 30 TYR HA 1 34 ILE HG13 . . 5.500 4.882 4.830 4.942 . 0 0 "[ . 1]" 1
788 1 30 TYR HA 1 38 LEU MD2 . . 5.500 4.620 4.609 4.634 . 0 0 "[ . 1]" 1
789 1 30 TYR HA 1 38 LEU HG . . 5.210 5.077 4.565 5.219 0.009 5 0 "[ . 1]" 1
790 1 30 TYR HB2 1 31 LEU H . . 3.040 2.869 2.856 2.883 . 0 0 "[ . 1]" 1
791 1 30 TYR HB2 1 31 LEU HA . . 4.630 4.768 4.760 4.774 0.144 7 0 "[ . 1]" 1
792 1 30 TYR HB2 1 32 SER H . . 5.500 5.430 5.423 5.441 . 0 0 "[ . 1]" 1
793 1 30 TYR HB2 1 46 PHE QE . . 5.000 3.183 3.136 3.218 . 0 0 "[ . 1]" 1
794 1 30 TYR HB3 1 31 LEU H . . 3.490 2.603 2.586 2.629 . 0 0 "[ . 1]" 1
795 1 30 TYR HB3 1 32 SER H . . 5.500 5.117 5.101 5.129 . 0 0 "[ . 1]" 1
796 1 30 TYR HB3 1 33 SER H . . 5.500 5.334 5.309 5.376 . 0 0 "[ . 1]" 1
797 1 30 TYR HB3 1 46 PHE QE . . 5.500 2.358 2.341 2.373 . 0 0 "[ . 1]" 1
798 1 30 TYR QD 1 31 LEU HA . . 5.110 4.206 4.176 4.238 . 0 0 "[ . 1]" 1
799 1 30 TYR QD 1 31 LEU MD1 . . 5.370 3.987 3.955 4.007 . 0 0 "[ . 1]" 1
800 1 30 TYR QD 1 31 LEU MD2 . . 5.500 4.092 4.085 4.098 . 0 0 "[ . 1]" 1
801 1 30 TYR QD 1 34 ILE MD . . 3.980 2.423 2.373 2.491 . 0 0 "[ . 1]" 1
802 1 30 TYR QD 1 34 ILE HG12 . . 4.790 2.054 2.023 2.078 . 0 0 "[ . 1]" 1
803 1 30 TYR QD 1 34 ILE HG13 . . 3.270 2.852 2.815 2.887 . 0 0 "[ . 1]" 1
804 1 30 TYR QD 1 38 LEU HB2 . . 5.500 4.920 4.887 4.966 . 0 0 "[ . 1]" 1
805 1 30 TYR QD 1 38 LEU HG . . 5.500 4.979 4.960 4.993 . 0 0 "[ . 1]" 1
806 1 30 TYR QD 1 46 PHE QE . . 5.500 3.449 3.409 3.481 . 0 0 "[ . 1]" 1
807 1 30 TYR QE 1 34 ILE MD . . 3.620 2.338 2.248 2.361 . 0 0 "[ . 1]" 1
808 1 30 TYR QE 1 34 ILE HG12 . . 4.240 3.800 3.789 3.820 . 0 0 "[ . 1]" 1
809 1 30 TYR QE 1 34 ILE HG13 . . 4.700 4.294 4.266 4.304 . 0 0 "[ . 1]" 1
810 1 30 TYR QE 1 38 LEU MD1 . . 3.500 2.587 2.424 2.635 . 0 0 "[ . 1]" 1
811 1 30 TYR QE 1 43 SER H . . 5.340 4.416 4.189 4.588 . 0 0 "[ . 1]" 1
812 1 30 TYR O 1 34 ILE H . . 2.000 1.729 1.723 1.736 . 0 0 "[ . 1]" 1
813 1 30 TYR O 1 34 ILE N . . 3.000 2.727 2.722 2.732 . 0 0 "[ . 1]" 1
814 1 31 LEU H 1 31 LEU MD1 . . 3.900 3.208 3.187 3.224 . 0 0 "[ . 1]" 1
815 1 31 LEU H 1 31 LEU MD2 . . 3.340 1.879 1.864 1.889 . 0 0 "[ . 1]" 1
816 1 31 LEU H 1 32 SER H . . 3.310 2.884 2.870 2.893 . 0 0 "[ . 1]" 1
817 1 31 LEU H 1 34 ILE H . . 4.840 4.740 4.730 4.759 . 0 0 "[ . 1]" 1
818 1 31 LEU HA 1 31 LEU HB3 . . 2.990 2.537 2.529 2.542 . 0 0 "[ . 1]" 1
819 1 31 LEU HA 1 31 LEU MD1 . . 3.020 2.068 2.063 2.081 . 0 0 "[ . 1]" 1
820 1 31 LEU HA 1 31 LEU MD2 . . 3.860 3.058 3.044 3.068 . 0 0 "[ . 1]" 1
821 1 31 LEU HA 1 31 LEU HG . . 3.730 3.730 3.724 3.733 0.003 4 0 "[ . 1]" 1
822 1 31 LEU HA 1 34 ILE HB . . 3.490 2.401 2.359 2.435 . 0 0 "[ . 1]" 1
823 1 31 LEU HA 1 34 ILE MD . . 5.500 4.398 4.358 4.473 . 0 0 "[ . 1]" 1
824 1 31 LEU HA 1 34 ILE HG12 . . 3.660 3.128 3.095 3.163 . 0 0 "[ . 1]" 1
825 1 31 LEU HA 1 34 ILE HG13 . . 3.340 3.009 2.946 3.126 . 0 0 "[ . 1]" 1
826 1 31 LEU HA 1 35 GLU HG3 . . 5.330 4.075 4.029 4.102 . 0 0 "[ . 1]" 1
827 1 31 LEU HB2 1 31 LEU MD2 . . 3.050 2.189 2.186 2.193 . 0 0 "[ . 1]" 1
828 1 31 LEU HB2 1 32 SER H . . 3.190 2.802 2.786 2.818 . 0 0 "[ . 1]" 1
829 1 31 LEU HB3 1 31 LEU MD1 . . 3.490 2.666 2.654 2.675 . 0 0 "[ . 1]" 1
830 1 31 LEU HB3 1 31 LEU HG . . 2.960 2.354 2.350 2.358 . 0 0 "[ . 1]" 1
831 1 31 LEU HB3 1 32 SER H . . 4.670 3.703 3.682 3.713 . 0 0 "[ . 1]" 1
832 1 31 LEU MD1 1 35 GLU HG3 . . 5.500 4.590 4.585 4.599 . 0 0 "[ . 1]" 1
833 1 31 LEU MD1 1 46 PHE QE . . 4.780 2.492 2.481 2.510 . 0 0 "[ . 1]" 1
834 1 31 LEU MD1 1 50 VAL MG2 . . 5.500 2.169 2.145 2.183 . 0 0 "[ . 1]" 1
835 1 31 LEU MD1 1 54 LEU MD1 . . 5.500 3.827 3.818 3.836 . 0 0 "[ . 1]" 1
836 1 31 LEU MD2 1 34 ILE HG12 . . 5.500 4.674 4.666 4.685 . 0 0 "[ . 1]" 1
837 1 31 LEU MD2 1 50 VAL MG1 . . 5.500 3.856 3.852 3.857 . 0 0 "[ . 1]" 1
838 1 31 LEU O 1 35 GLU H . . 2.000 2.028 2.026 2.033 0.033 3 0 "[ . 1]" 1
839 1 31 LEU O 1 35 GLU N . . 3.000 3.036 3.033 3.039 0.039 7 0 "[ . 1]" 1
840 1 32 SER H 1 33 SER H . . 3.320 2.909 2.893 2.946 . 0 0 "[ . 1]" 1
841 1 32 SER H 1 34 ILE H . . 4.750 4.503 4.484 4.540 . 0 0 "[ . 1]" 1
842 1 32 SER HA 1 34 ILE HB . . 5.500 5.184 5.118 5.256 . 0 0 "[ . 1]" 1
843 1 32 SER HA 1 35 GLU H . . 4.080 3.803 3.737 3.880 . 0 0 "[ . 1]" 1
844 1 32 SER HA 1 35 GLU HB2 . . 4.020 2.869 2.823 2.903 . 0 0 "[ . 1]" 1
845 1 32 SER HA 1 35 GLU HB3 . . 5.500 4.525 4.477 4.569 . 0 0 "[ . 1]" 1
846 1 32 SER HA 1 35 GLU HG2 . . 5.500 5.512 5.503 5.525 0.025 5 0 "[ . 1]" 1
847 1 32 SER HA 1 35 GLU HG3 . . 5.500 4.304 4.295 4.320 . 0 0 "[ . 1]" 1
848 1 32 SER HA 1 36 ARG HG2 . . 4.910 4.351 4.227 4.464 . 0 0 "[ . 1]" 1
849 1 32 SER O 1 36 ARG H . . 2.000 2.071 2.058 2.086 0.086 2 0 "[ . 1]" 1
850 1 32 SER O 1 36 ARG N . . 3.000 2.935 2.871 2.982 . 0 0 "[ . 1]" 1
851 1 33 SER H 1 33 SER HB3 . . 2.870 2.499 2.464 2.566 . 0 0 "[ . 1]" 1
852 1 33 SER H 1 34 ILE H . . 3.500 2.866 2.823 2.934 . 0 0 "[ . 1]" 1
853 1 33 SER H 1 34 ILE HB . . 4.820 4.761 4.721 4.831 0.011 3 0 "[ . 1]" 1
854 1 33 SER H 1 34 ILE HG12 . . 5.150 4.653 4.598 4.723 . 0 0 "[ . 1]" 1
855 1 33 SER H 1 36 ARG HG3 . . 5.500 5.339 5.199 5.534 0.034 3 0 "[ . 1]" 1
856 1 33 SER HA 1 33 SER HB2 . . 2.700 2.445 2.429 2.461 . 0 0 "[ . 1]" 1
857 1 33 SER HA 1 36 ARG H . . 3.370 2.912 2.853 2.978 . 0 0 "[ . 1]" 1
858 1 33 SER HA 1 36 ARG HB2 . . 4.960 2.241 2.156 2.407 . 0 0 "[ . 1]" 1
859 1 33 SER HA 1 36 ARG HB3 . . 4.110 3.911 3.841 4.045 . 0 0 "[ . 1]" 1
860 1 33 SER HA 1 36 ARG HD3 . . 5.320 5.363 5.340 5.379 0.059 10 0 "[ . 1]" 1
861 1 33 SER HA 1 36 ARG HG2 . . 3.420 3.231 2.800 3.419 . 0 0 "[ . 1]" 1
862 1 33 SER HA 1 36 ARG HG3 . . 5.500 3.067 2.943 3.270 . 0 0 "[ . 1]" 1
863 1 33 SER HB2 1 38 LEU HB2 . . 5.500 4.086 3.994 4.162 . 0 0 "[ . 1]" 1
864 1 33 SER HB2 1 38 LEU HB3 . . 5.440 5.432 5.329 5.461 0.021 3 0 "[ . 1]" 1
865 1 33 SER HB2 1 38 LEU MD1 . . 5.460 3.456 3.386 3.647 . 0 0 "[ . 1]" 1
866 1 33 SER HB2 1 38 LEU HG . . 5.500 5.088 4.161 5.329 . 0 0 "[ . 1]" 1
867 1 33 SER HB3 1 34 ILE HG12 . . 5.500 4.258 4.148 4.420 . 0 0 "[ . 1]" 1
868 1 33 SER HB3 1 38 LEU HB2 . . 5.030 2.902 2.769 3.012 . 0 0 "[ . 1]" 1
869 1 33 SER HB3 1 38 LEU HB3 . . 4.940 3.942 3.788 3.986 . 0 0 "[ . 1]" 1
870 1 33 SER HB3 1 38 LEU MD1 . . 4.520 2.026 2.015 2.043 . 0 0 "[ . 1]" 1
871 1 34 ILE H 1 34 ILE HB . . 3.510 2.466 2.448 2.480 . 0 0 "[ . 1]" 1
872 1 34 ILE H 1 34 ILE MD . . 3.970 3.413 3.406 3.416 . 0 0 "[ . 1]" 1
873 1 34 ILE H 1 34 ILE HG12 . . 3.180 2.231 2.197 2.301 . 0 0 "[ . 1]" 1
874 1 34 ILE H 1 35 GLU H . . 3.240 2.959 2.952 2.968 . 0 0 "[ . 1]" 1
875 1 34 ILE H 1 35 GLU HG3 . . 5.430 4.884 4.842 4.917 . 0 0 "[ . 1]" 1
876 1 34 ILE H 1 38 LEU HB2 . . 3.890 3.297 3.186 3.378 . 0 0 "[ . 1]" 1
877 1 34 ILE HA 1 34 ILE MD . . 3.280 2.115 2.093 2.139 . 0 0 "[ . 1]" 1
878 1 34 ILE HA 1 34 ILE HG12 . . 3.450 3.080 3.061 3.108 . 0 0 "[ . 1]" 1
879 1 34 ILE HA 1 34 ILE MG . . 2.920 2.466 2.452 2.480 . 0 0 "[ . 1]" 1
880 1 34 ILE HA 1 38 LEU H . . 3.170 2.748 2.608 2.896 . 0 0 "[ . 1]" 1
881 1 34 ILE HA 1 38 LEU HB2 . . 2.930 3.010 2.968 3.027 0.097 9 0 "[ . 1]" 1
882 1 34 ILE HA 1 38 LEU HB3 . . 3.260 2.021 1.978 2.142 . 0 0 "[ . 1]" 1
883 1 34 ILE HA 1 38 LEU MD1 . . 4.720 3.554 3.467 3.607 . 0 0 "[ . 1]" 1
884 1 34 ILE HA 1 38 LEU HG . . 4.850 4.936 4.906 4.958 0.108 4 0 "[ . 1]" 1
885 1 34 ILE HA 1 39 GLN H . . 3.450 2.226 2.103 2.306 . 0 0 "[ . 1]" 1
886 1 34 ILE HA 1 39 GLN HA . . 4.610 4.473 4.094 4.638 0.028 8 0 "[ . 1]" 1
887 1 34 ILE HA 1 39 GLN HB2 . . 3.930 2.984 2.806 3.120 . 0 0 "[ . 1]" 1
888 1 34 ILE HB 1 34 ILE HG13 . . 2.980 2.430 2.418 2.438 . 0 0 "[ . 1]" 1
889 1 34 ILE HB 1 35 GLU H . . 3.750 2.271 2.249 2.325 . 0 0 "[ . 1]" 1
890 1 34 ILE MD 1 35 GLU H . . 5.500 4.640 4.628 4.658 . 0 0 "[ . 1]" 1
891 1 34 ILE MD 1 39 GLN H . . 4.790 2.646 2.594 2.737 . 0 0 "[ . 1]" 1
892 1 34 ILE MD 1 39 GLN HA . . 5.500 3.042 2.681 3.372 . 0 0 "[ . 1]" 1
893 1 34 ILE MD 1 39 GLN HB2 . . 5.470 2.219 2.024 2.305 . 0 0 "[ . 1]" 1
894 1 34 ILE MD 1 39 GLN HB3 . . 4.520 3.650 3.463 3.755 . 0 0 "[ . 1]" 1
895 1 34 ILE MD 1 43 SER H . . 5.500 4.618 4.577 4.683 . 0 0 "[ . 1]" 1
896 1 34 ILE HG12 1 38 LEU HG . . 5.500 5.212 5.122 5.268 . 0 0 "[ . 1]" 1
897 1 34 ILE HG12 1 39 GLN H . . 5.350 4.842 4.743 4.899 . 0 0 "[ . 1]" 1
898 1 34 ILE HG12 1 39 GLN HB2 . . 5.500 4.690 4.387 4.826 . 0 0 "[ . 1]" 1
899 1 34 ILE HG13 1 46 PHE QE . . 3.740 3.158 3.053 3.228 . 0 0 "[ . 1]" 1
900 1 34 ILE MG 1 35 GLU H . . 3.390 2.858 2.851 2.868 . 0 0 "[ . 1]" 1
901 1 34 ILE MG 1 39 GLN H . . 3.740 3.204 3.189 3.226 . 0 0 "[ . 1]" 1
902 1 34 ILE MG 1 39 GLN HA . . 5.500 4.324 4.010 4.550 . 0 0 "[ . 1]" 1
903 1 34 ILE MG 1 39 GLN HB2 . . 4.220 2.050 1.956 2.130 . 0 0 "[ . 1]" 1
904 1 34 ILE MG 1 39 GLN HB3 . . 3.760 3.091 2.590 3.188 . 0 0 "[ . 1]" 1
905 1 34 ILE MG 1 39 GLN HG2 . . 4.390 3.529 2.785 3.678 . 0 0 "[ . 1]" 1
906 1 34 ILE MG 1 39 GLN HG3 . . 4.520 3.227 2.947 3.854 . 0 0 "[ . 1]" 1
907 1 35 GLU H 1 35 GLU HG3 . . 3.230 2.263 2.238 2.295 . 0 0 "[ . 1]" 1
908 1 35 GLU H 1 36 ARG H . . 3.340 2.890 2.868 2.934 . 0 0 "[ . 1]" 1
909 1 35 GLU HA 1 35 GLU HG2 . . 4.160 2.391 2.377 2.415 . 0 0 "[ . 1]" 1
910 1 35 GLU HB2 1 35 GLU HG3 . . 3.010 2.523 2.518 2.528 . 0 0 "[ . 1]" 1
911 1 35 GLU HB2 1 36 ARG HG2 . . 4.800 4.144 4.012 4.329 . 0 0 "[ . 1]" 1
912 1 35 GLU HG3 1 36 ARG H . . 5.200 4.684 4.650 4.750 . 0 0 "[ . 1]" 1
913 1 36 ARG H 1 36 ARG HB2 . . 4.110 2.515 2.471 2.579 . 0 0 "[ . 1]" 1
914 1 36 ARG H 1 36 ARG HB3 . . 3.670 3.672 3.651 3.689 0.019 3 0 "[ . 1]" 1
915 1 36 ARG H 1 36 ARG HD3 . . 4.590 4.293 4.188 4.630 0.040 4 0 "[ . 1]" 1
916 1 36 ARG H 1 36 ARG HG2 . . 4.610 2.567 2.517 2.644 . 0 0 "[ . 1]" 1
917 1 36 ARG H 1 38 LEU H . . 4.650 4.103 3.975 4.181 . 0 0 "[ . 1]" 1
918 1 36 ARG HA 1 36 ARG HB3 . . 2.690 2.487 2.432 2.521 . 0 0 "[ . 1]" 1
919 1 36 ARG HA 1 36 ARG HD3 . . 3.440 2.300 2.119 2.874 . 0 0 "[ . 1]" 1
920 1 36 ARG HA 1 36 ARG HG2 . . 3.820 2.974 2.846 3.299 . 0 0 "[ . 1]" 1
921 1 36 ARG HB2 1 36 ARG HD3 . . 3.890 3.685 3.667 3.703 . 0 0 "[ . 1]" 1
922 1 36 ARG HB2 1 36 ARG HG3 . . 2.870 2.358 2.336 2.421 . 0 0 "[ . 1]" 1
923 1 36 ARG HB3 1 36 ARG HD3 . . 2.630 2.643 2.522 2.681 0.051 9 0 "[ . 1]" 1
924 1 36 ARG HB3 1 36 ARG HG3 . . 3.000 2.546 2.408 2.592 . 0 0 "[ . 1]" 1
925 1 38 LEU H 1 39 GLN H . . 2.980 2.749 2.435 3.032 0.052 5 0 "[ . 1]" 1
926 1 38 LEU H 1 40 THR MG . . 5.110 4.312 4.291 4.361 . 0 0 "[ . 1]" 1
927 1 38 LEU HA 1 39 GLN H . . 3.490 3.560 3.536 3.581 0.091 3 0 "[ . 1]" 1
928 1 38 LEU HB3 1 39 GLN HA . . 4.150 4.107 3.897 4.176 0.026 3 0 "[ . 1]" 1
929 1 39 GLN HA 1 40 THR MG . . 4.820 4.057 3.880 4.141 . 0 0 "[ . 1]" 1
930 1 39 GLN HB2 1 41 ASN H . . 5.500 5.382 5.217 5.557 0.057 10 0 "[ . 1]" 1
931 1 39 GLN HG2 1 41 ASN H . . 5.500 5.056 4.050 5.335 . 0 0 "[ . 1]" 1
932 1 43 SER H 1 46 PHE HB3 . . 4.150 4.168 4.085 4.203 0.053 1 0 "[ . 1]" 1
933 1 43 SER H 1 46 PHE QD . . 4.930 3.793 3.594 3.940 . 0 0 "[ . 1]" 1
934 1 43 SER H 1 47 LEU MD1 . . 3.900 3.119 2.829 3.265 . 0 0 "[ . 1]" 1
935 1 43 SER HA 1 46 PHE H . . 4.320 4.414 4.366 4.442 0.122 8 0 "[ . 1]" 1
936 1 43 SER HA 1 47 LEU H . . 5.110 5.127 5.115 5.145 0.035 2 0 "[ . 1]" 1
937 1 43 SER HB3 1 46 PHE HB2 . . 4.820 3.441 3.200 3.531 . 0 0 "[ . 1]" 1
938 1 43 SER HB3 1 46 PHE HB3 . . 4.230 2.160 2.023 2.208 . 0 0 "[ . 1]" 1
939 1 43 SER HB3 1 46 PHE QD . . 5.500 3.238 3.147 3.443 . 0 0 "[ . 1]" 1
940 1 43 SER HB3 1 47 LEU MD1 . . 5.500 4.589 4.534 4.646 . 0 0 "[ . 1]" 1
941 1 44 ILE H 1 46 PHE H . . 5.380 4.529 4.464 4.594 . 0 0 "[ . 1]" 1
942 1 44 ILE HA 1 47 LEU H . . 3.750 3.433 3.384 3.479 . 0 0 "[ . 1]" 1
943 1 44 ILE HA 1 47 LEU HB2 . . 4.380 2.312 2.282 2.342 . 0 0 "[ . 1]" 1
944 1 44 ILE HA 1 47 LEU MD1 . . 2.400 2.030 2.022 2.043 . 0 0 "[ . 1]" 1
945 1 44 ILE HA 1 47 LEU HG . . 5.500 3.732 3.642 3.872 . 0 0 "[ . 1]" 1
946 1 44 ILE HA 1 48 GLU HG3 . . 4.840 4.697 4.654 4.742 . 0 0 "[ . 1]" 1
947 1 44 ILE HA 1 58 VAL MG1 . . 4.710 2.880 2.841 2.927 . 0 0 "[ . 1]" 1
948 1 44 ILE HB 1 48 GLU HG3 . . 4.980 4.994 4.982 5.008 0.028 1 0 "[ . 1]" 1
949 1 44 ILE HG13 1 58 VAL MG1 . . 5.390 4.102 3.450 4.507 . 0 0 "[ . 1]" 1
950 1 44 ILE MG 1 48 GLU HG3 . . 4.250 3.189 3.102 3.259 . 0 0 "[ . 1]" 1
951 1 44 ILE MG 1 58 VAL MG1 . . 2.900 2.055 2.048 2.065 . 0 0 "[ . 1]" 1
952 1 44 ILE O 1 48 GLU H . . 2.000 1.892 1.868 1.920 . 0 0 "[ . 1]" 1
953 1 44 ILE O 1 48 GLU N . . 3.000 2.857 2.838 2.880 . 0 0 "[ . 1]" 1
954 1 45 GLN HA 1 48 GLU H . . 4.220 3.490 3.416 3.517 . 0 0 "[ . 1]" 1
955 1 45 GLN HA 1 48 GLU HG2 . . 3.500 3.589 3.574 3.602 0.102 9 0 "[ . 1]" 1
956 1 45 GLN HA 1 48 GLU HG3 . . 2.660 1.955 1.941 1.974 . 0 0 "[ . 1]" 1
957 1 45 GLN O 1 49 LYS H . . 2.000 2.047 2.032 2.056 0.056 9 0 "[ . 1]" 1
958 1 45 GLN O 1 49 LYS N . . 3.000 3.051 3.037 3.063 0.063 9 0 "[ . 1]" 1
959 1 46 PHE H 1 48 GLU H . . 4.940 4.138 4.063 4.252 . 0 0 "[ . 1]" 1
960 1 46 PHE H 1 48 GLU HG3 . . 4.520 4.636 4.626 4.640 0.120 3 0 "[ . 1]" 1
961 1 46 PHE H 1 49 LYS HG3 . . 4.790 4.135 4.070 4.175 . 0 0 "[ . 1]" 1
962 1 46 PHE HA 1 49 LYS HB3 . . 3.640 3.801 3.779 3.810 0.170 10 0 "[ . 1]" 1
963 1 46 PHE HA 1 49 LYS HG2 . . 5.200 3.813 3.798 3.827 . 0 0 "[ . 1]" 1
964 1 46 PHE HA 1 49 LYS HG3 . . 4.530 2.087 2.073 2.099 . 0 0 "[ . 1]" 1
965 1 46 PHE HA 1 50 VAL MG1 . . 5.500 3.856 3.840 3.885 . 0 0 "[ . 1]" 1
966 1 46 PHE HB3 1 48 GLU H . . 5.490 5.205 5.141 5.257 . 0 0 "[ . 1]" 1
967 1 46 PHE QE 1 50 VAL HB . . 4.640 3.971 3.956 3.987 . 0 0 "[ . 1]" 1
968 1 46 PHE QE 1 61 LEU MD1 . . 4.220 3.230 3.219 3.239 . 0 0 "[ . 1]" 1
969 1 46 PHE O 1 50 VAL H . . 2.000 2.026 2.022 2.030 0.030 6 0 "[ . 1]" 1
970 1 46 PHE O 1 50 VAL N . . 3.000 3.048 3.044 3.052 0.052 6 0 "[ . 1]" 1
971 1 47 LEU H 1 49 LYS HG3 . . 4.600 4.744 4.730 4.751 0.151 9 0 "[ . 1]" 1
972 1 47 LEU H 1 50 VAL MG1 . . 5.500 4.464 4.447 4.485 . 0 0 "[ . 1]" 1
973 1 47 LEU HA 1 49 LYS H . . 5.500 4.497 4.450 4.518 . 0 0 "[ . 1]" 1
974 1 47 LEU HA 1 50 VAL H . . 3.470 3.627 3.621 3.633 0.163 2 0 "[ . 1]" 1
975 1 47 LEU HA 1 50 VAL MG1 . . 3.520 2.619 2.601 2.648 . 0 0 "[ . 1]" 1
976 1 47 LEU HA 1 58 VAL MG1 . . 5.200 4.320 4.300 4.331 . 0 0 "[ . 1]" 1
977 1 47 LEU HB2 1 47 LEU MD1 . . 3.530 2.258 2.242 2.277 . 0 0 "[ . 1]" 1
978 1 47 LEU HB2 1 51 SER HB3 . . 5.500 5.161 4.982 5.263 . 0 0 "[ . 1]" 1
979 1 47 LEU HB2 1 58 VAL HA . . 5.500 3.713 3.679 3.748 . 0 0 "[ . 1]" 1
980 1 47 LEU HB2 1 58 VAL MG1 . . 2.690 2.178 2.162 2.213 . 0 0 "[ . 1]" 1
981 1 47 LEU HB3 1 51 SER HB3 . . 5.500 3.635 3.493 3.720 . 0 0 "[ . 1]" 1
982 1 47 LEU HB3 1 58 VAL HA . . 4.160 2.151 2.128 2.180 . 0 0 "[ . 1]" 1
983 1 47 LEU HB3 1 58 VAL MG1 . . 2.730 2.225 2.191 2.247 . 0 0 "[ . 1]" 1
984 1 47 LEU HB3 1 58 VAL MG2 . . 3.240 2.741 2.732 2.756 . 0 0 "[ . 1]" 1
985 1 47 LEU HB3 1 61 LEU MD1 . . 4.080 2.768 2.714 2.889 . 0 0 "[ . 1]" 1
986 1 47 LEU MD1 1 59 HIS HA . . 5.500 4.211 4.080 4.347 . 0 0 "[ . 1]" 1
987 1 47 LEU MD1 1 62 LEU H . . 4.940 4.144 4.120 4.180 . 0 0 "[ . 1]" 1
988 1 47 LEU MD1 1 62 LEU HB2 . . 5.500 4.396 4.331 4.493 . 0 0 "[ . 1]" 1
989 1 47 LEU MD1 1 62 LEU HB3 . . 5.500 3.186 3.138 3.286 . 0 0 "[ . 1]" 1
990 1 47 LEU MD2 1 61 LEU H . . 4.260 3.636 3.588 3.646 . 0 0 "[ . 1]" 1
991 1 47 LEU MD2 1 61 LEU HB2 . . 3.610 1.973 1.955 2.009 . 0 0 "[ . 1]" 1
992 1 47 LEU MD2 1 61 LEU MD1 . . 3.640 1.867 1.857 1.882 . 0 0 "[ . 1]" 1
993 1 47 LEU MD2 1 61 LEU HG . . 4.170 3.435 3.367 3.457 . 0 0 "[ . 1]" 1
994 1 47 LEU MD2 1 62 LEU HB2 . . 5.500 4.618 4.601 4.627 . 0 0 "[ . 1]" 1
995 1 47 LEU MD2 1 62 LEU HB3 . . 5.500 3.209 3.100 3.272 . 0 0 "[ . 1]" 1
996 1 47 LEU HG 1 58 VAL MG1 . . 5.140 4.257 4.231 4.297 . 0 0 "[ . 1]" 1
997 1 47 LEU O 1 51 SER H . . 2.000 1.914 1.839 1.959 . 0 0 "[ . 1]" 1
998 1 47 LEU O 1 51 SER N . . 3.000 2.819 2.761 2.853 . 0 0 "[ . 1]" 1
999 1 48 GLU H 1 50 VAL H . . 4.680 4.790 4.781 4.804 0.124 9 0 "[ . 1]" 1
1000 1 48 GLU H 1 58 VAL MG2 . . 3.390 2.902 2.896 2.907 . 0 0 "[ . 1]" 1
1001 1 48 GLU HA 1 52 ALA MB . . 4.660 3.799 3.784 3.813 . 0 0 "[ . 1]" 1
1002 1 48 GLU HA 1 58 VAL H . . 4.910 4.662 4.563 4.746 . 0 0 "[ . 1]" 1
1003 1 48 GLU HA 1 58 VAL HA . . 4.590 4.403 4.356 4.462 . 0 0 "[ . 1]" 1
1004 1 48 GLU HA 1 58 VAL MG1 . . 4.380 3.730 3.721 3.736 . 0 0 "[ . 1]" 1
1005 1 48 GLU HA 1 58 VAL MG2 . . 2.660 1.983 1.971 1.988 . 0 0 "[ . 1]" 1
1006 1 48 GLU HB2 1 58 VAL MG2 . . 5.500 4.128 4.091 4.148 . 0 0 "[ . 1]" 1
1007 1 48 GLU HB3 1 58 VAL MG2 . . 4.590 3.353 3.280 3.408 . 0 0 "[ . 1]" 1
1008 1 48 GLU HG2 1 58 VAL MG2 . . 5.070 2.445 2.390 2.476 . 0 0 "[ . 1]" 1
1009 1 48 GLU HG3 1 58 VAL MG1 . . 5.250 4.090 4.042 4.135 . 0 0 "[ . 1]" 1
1010 1 48 GLU O 1 52 ALA H . . 2.000 2.008 1.976 2.023 0.023 5 0 "[ . 1]" 1
1011 1 48 GLU O 1 52 ALA N . . 3.000 2.911 2.888 2.922 . 0 0 "[ . 1]" 1
1012 1 49 LYS HA 1 52 ALA MB . . 4.010 3.171 3.138 3.189 . 0 0 "[ . 1]" 1
1013 1 49 LYS HB3 1 51 SER H . . 5.450 5.530 5.524 5.537 0.087 2 0 "[ . 1]" 1
1014 1 49 LYS O 1 53 VAL H . . 2.000 2.153 2.146 2.162 0.162 9 0 "[ . 1]" 1
1015 1 49 LYS O 1 53 VAL N . . 3.000 3.115 3.109 3.120 0.120 7 0 "[ . 1]" 1
1016 1 50 VAL H 1 52 ALA H . . 4.500 4.030 4.020 4.044 . 0 0 "[ . 1]" 1
1017 1 50 VAL H 1 52 ALA MB . . 5.350 4.596 4.592 4.602 . 0 0 "[ . 1]" 1
1018 1 50 VAL HA 1 52 ALA H . . 4.620 4.187 4.175 4.207 . 0 0 "[ . 1]" 1
1019 1 50 VAL HA 1 53 VAL H . . 3.910 2.911 2.881 2.927 . 0 0 "[ . 1]" 1
1020 1 50 VAL HA 1 53 VAL MG1 . . 2.600 2.215 2.212 2.218 . 0 0 "[ . 1]" 1
1021 1 50 VAL HA 1 54 LEU HG . . 5.500 3.834 3.823 3.850 . 0 0 "[ . 1]" 1
1022 1 50 VAL HB 1 54 LEU HG . . 4.670 4.628 4.622 4.643 . 0 0 "[ . 1]" 1
1023 1 50 VAL MG1 1 52 ALA H . . 5.230 4.480 4.476 4.484 . 0 0 "[ . 1]" 1
1024 1 50 VAL MG1 1 61 LEU MD1 . . 4.410 2.806 2.764 2.848 . 0 0 "[ . 1]" 1
1025 1 50 VAL MG2 1 53 VAL H . . 5.500 4.360 4.332 4.382 . 0 0 "[ . 1]" 1
1026 1 50 VAL MG2 1 53 VAL MG1 . . 3.120 2.193 2.187 2.197 . 0 0 "[ . 1]" 1
1027 1 50 VAL MG2 1 54 LEU H . . 4.240 3.584 3.581 3.586 . 0 0 "[ . 1]" 1
1028 1 50 VAL MG2 1 54 LEU HB3 . . 5.500 4.413 4.404 4.426 . 0 0 "[ . 1]" 1
1029 1 50 VAL MG2 1 54 LEU HG . . 4.150 2.156 2.150 2.169 . 0 0 "[ . 1]" 1
1030 1 50 VAL O 1 54 LEU H . . 2.000 1.790 1.784 1.795 . 0 0 "[ . 1]" 1
1031 1 50 VAL O 1 54 LEU N . . 3.000 2.725 2.717 2.735 . 0 0 "[ . 1]" 1
1032 1 51 SER H 1 53 VAL H . . 4.760 4.109 4.096 4.120 . 0 0 "[ . 1]" 1
1033 1 51 SER H 1 54 LEU HG . . 4.970 5.084 5.075 5.096 0.126 9 0 "[ . 1]" 1
1034 1 51 SER HA 1 54 LEU HB2 . . 5.500 2.356 2.341 2.397 . 0 0 "[ . 1]" 1
1035 1 51 SER HA 1 54 LEU HB3 . . 4.040 3.980 3.956 4.031 . 0 0 "[ . 1]" 1
1036 1 51 SER HA 1 54 LEU MD1 . . 5.500 2.865 2.834 2.910 . 0 0 "[ . 1]" 1
1037 1 51 SER HA 1 54 LEU HG . . 3.930 3.845 3.830 3.877 . 0 0 "[ . 1]" 1
1038 1 51 SER HA 1 56 VAL H . . 3.850 3.726 3.680 3.763 . 0 0 "[ . 1]" 1
1039 1 51 SER HA 1 56 VAL HB . . 5.500 2.798 2.788 2.815 . 0 0 "[ . 1]" 1
1040 1 51 SER HA 1 56 VAL MG1 . . 3.190 2.361 2.348 2.386 . 0 0 "[ . 1]" 1
1041 1 51 SER HA 1 56 VAL MG2 . . 5.040 4.260 4.255 4.268 . 0 0 "[ . 1]" 1
1042 1 51 SER HA 1 58 VAL HA . . 5.220 5.233 5.228 5.246 0.026 9 0 "[ . 1]" 1
1043 1 51 SER HA 1 61 LEU MD1 . . 4.620 2.603 2.542 2.623 . 0 0 "[ . 1]" 1
1044 1 51 SER HB2 1 56 VAL MG2 . . 5.500 4.568 4.557 4.586 . 0 0 "[ . 1]" 1
1045 1 51 SER HB2 1 57 SER H . . 5.500 3.301 3.254 3.401 . 0 0 "[ . 1]" 1
1046 1 51 SER HB3 1 56 VAL MG1 . . 4.330 2.988 2.917 3.183 . 0 0 "[ . 1]" 1
1047 1 51 SER HB3 1 58 VAL HA . . 3.890 2.739 2.726 2.765 . 0 0 "[ . 1]" 1
1048 1 51 SER HB3 1 58 VAL HB . . 5.380 5.260 5.215 5.280 . 0 0 "[ . 1]" 1
1049 1 51 SER HB3 1 58 VAL MG2 . . 4.430 3.263 3.105 3.312 . 0 0 "[ . 1]" 1
1050 1 51 SER HB3 1 60 THR HB . . 5.500 4.797 4.665 5.023 . 0 0 "[ . 1]" 1
1051 1 51 SER HB3 1 61 LEU H . . 5.500 4.489 4.400 4.704 . 0 0 "[ . 1]" 1
1052 1 51 SER HB3 1 61 LEU MD1 . . 4.470 1.912 1.900 1.951 . 0 0 "[ . 1]" 1
1053 1 51 SER HB3 1 61 LEU HG . . 5.330 2.939 2.845 3.194 . 0 0 "[ . 1]" 1
1054 1 52 ALA H 1 58 VAL MG2 . . 5.400 4.167 4.157 4.183 . 0 0 "[ . 1]" 1
1055 1 52 ALA H 1 61 LEU MD1 . . 5.470 4.596 4.588 4.603 . 0 0 "[ . 1]" 1
1056 1 53 VAL H 1 55 ASP H . . 4.290 4.361 4.350 4.373 0.083 9 0 "[ . 1]" 1
1057 1 53 VAL HA 1 55 ASP H . . 3.710 3.673 3.659 3.693 . 0 0 "[ . 1]" 1
1058 1 54 LEU H 1 56 VAL H . . 3.780 3.710 3.698 3.729 . 0 0 "[ . 1]" 1
1059 1 54 LEU HB2 1 56 VAL H . . 4.080 3.555 3.550 3.563 . 0 0 "[ . 1]" 1
1060 1 54 LEU HB2 1 56 VAL HA . . 5.500 5.151 5.136 5.160 . 0 0 "[ . 1]" 1
1061 1 54 LEU HB2 1 56 VAL MG1 . . 3.150 2.707 2.704 2.710 . 0 0 "[ . 1]" 1
1062 1 54 LEU HB2 1 56 VAL MG2 . . 4.210 3.253 3.228 3.263 . 0 0 "[ . 1]" 1
1063 1 54 LEU HB2 1 61 LEU MD2 . . 5.500 3.403 3.366 3.459 . 0 0 "[ . 1]" 1
1064 1 54 LEU HB3 1 61 LEU MD2 . . 5.500 3.902 3.854 3.973 . 0 0 "[ . 1]" 1
1065 1 54 LEU MD1 1 56 VAL HB . . 5.170 3.720 3.698 3.729 . 0 0 "[ . 1]" 1
1066 1 54 LEU MD1 1 56 VAL MG1 . . 5.500 2.893 2.888 2.899 . 0 0 "[ . 1]" 1
1067 1 54 LEU HG 1 56 VAL H . . 5.500 5.592 5.586 5.597 0.097 6 0 "[ . 1]" 1
1068 1 54 LEU HG 1 56 VAL MG1 . . 5.500 4.597 4.594 4.602 . 0 0 "[ . 1]" 1
1069 1 55 ASP H 1 55 ASP HA . . 2.520 2.259 2.256 2.264 . 0 0 "[ . 1]" 1
1070 1 55 ASP H 1 55 ASP HB2 . . 3.590 3.615 3.608 3.626 0.036 9 0 "[ . 1]" 1
1071 1 55 ASP H 1 56 VAL H . . 3.080 2.461 2.453 2.469 . 0 0 "[ . 1]" 1
1072 1 55 ASP H 1 56 VAL HA . . 5.500 5.218 5.212 5.226 . 0 0 "[ . 1]" 1
1073 1 55 ASP H 1 56 VAL MG2 . . 5.110 4.088 4.080 4.100 . 0 0 "[ . 1]" 1
1074 1 55 ASP HA 1 55 ASP HB3 . . 2.850 2.565 2.556 2.571 . 0 0 "[ . 1]" 1
1075 1 55 ASP HA 1 56 VAL H . . 3.110 2.732 2.725 2.740 . 0 0 "[ . 1]" 1
1076 1 55 ASP HA 1 56 VAL HA . . 5.000 4.622 4.618 4.629 . 0 0 "[ . 1]" 1
1077 1 55 ASP HA 1 56 VAL MG2 . . 4.680 4.013 4.008 4.019 . 0 0 "[ . 1]" 1
1078 1 55 ASP HB2 1 56 VAL H . . 4.540 4.275 4.263 4.283 . 0 0 "[ . 1]" 1
1079 1 55 ASP HB2 1 56 VAL HA . . 5.470 5.162 5.137 5.175 . 0 0 "[ . 1]" 1
1080 1 55 ASP HB2 1 56 VAL MG2 . . 3.860 3.200 3.169 3.221 . 0 0 "[ . 1]" 1
1081 1 55 ASP HB3 1 56 VAL H . . 4.370 4.386 4.382 4.391 0.021 6 0 "[ . 1]" 1
1082 1 55 ASP HB3 1 56 VAL HA . . 5.500 4.908 4.900 4.915 . 0 0 "[ . 1]" 1
1083 1 55 ASP HB3 1 56 VAL MG2 . . 4.300 3.656 3.652 3.663 . 0 0 "[ . 1]" 1
1084 1 56 VAL H 1 57 SER H . . 4.610 4.550 4.544 4.557 . 0 0 "[ . 1]" 1
1085 1 56 VAL HA 1 56 VAL MG2 . . 2.510 2.149 2.147 2.152 . 0 0 "[ . 1]" 1
1086 1 56 VAL HA 1 57 SER H . . 3.200 2.538 2.498 2.560 . 0 0 "[ . 1]" 1
1087 1 56 VAL HA 1 60 THR MG . . 5.320 3.667 3.648 3.682 . 0 0 "[ . 1]" 1
1088 1 56 VAL HB 1 57 SER HA . . 5.500 5.496 5.482 5.506 0.006 6 0 "[ . 1]" 1
1089 1 56 VAL HB 1 61 LEU MD2 . . 5.220 3.774 3.743 3.800 . 0 0 "[ . 1]" 1
1090 1 56 VAL MG1 1 57 SER H . . 3.380 2.364 2.336 2.422 . 0 0 "[ . 1]" 1
1091 1 56 VAL MG1 1 57 SER HA . . 5.000 4.136 4.119 4.167 . 0 0 "[ . 1]" 1
1092 1 56 VAL MG1 1 58 VAL H . . 5.140 3.125 3.106 3.138 . 0 0 "[ . 1]" 1
1093 1 56 VAL MG1 1 60 THR HA . . 5.500 4.601 4.593 4.611 . 0 0 "[ . 1]" 1
1094 1 56 VAL MG1 1 60 THR HB . . 3.260 2.145 2.127 2.159 . 0 0 "[ . 1]" 1
1095 1 56 VAL MG1 1 60 THR MG . . 3.550 2.203 2.178 2.227 . 0 0 "[ . 1]" 1
1096 1 56 VAL MG1 1 61 LEU H . . 4.310 3.483 3.455 3.508 . 0 0 "[ . 1]" 1
1097 1 56 VAL MG1 1 61 LEU HA . . 5.090 4.066 4.039 4.103 . 0 0 "[ . 1]" 1
1098 1 56 VAL MG1 1 61 LEU MD1 . . 5.150 2.939 2.871 2.981 . 0 0 "[ . 1]" 1
1099 1 56 VAL MG1 1 61 LEU MD2 . . 4.010 1.967 1.945 1.980 . 0 0 "[ . 1]" 1
1100 1 56 VAL MG1 1 61 LEU HG . . 5.500 2.471 2.433 2.515 . 0 0 "[ . 1]" 1
1101 1 56 VAL MG2 1 60 THR MG . . 3.780 2.663 2.654 2.672 . 0 0 "[ . 1]" 1
1102 1 57 SER H 1 57 SER HB2 . . 3.120 2.700 2.649 2.734 . 0 0 "[ . 1]" 1
1103 1 57 SER H 1 60 THR HB . . 3.020 2.433 2.402 2.458 . 0 0 "[ . 1]" 1
1104 1 57 SER H 1 60 THR MG . . 4.160 3.018 2.971 3.088 . 0 0 "[ . 1]" 1
1105 1 57 SER HA 1 59 HIS H . . 4.800 4.561 4.531 4.578 . 0 0 "[ . 1]" 1
1106 1 57 SER HA 1 60 THR H . . 4.720 4.752 4.738 4.760 0.040 6 0 "[ . 1]" 1
1107 1 57 SER HA 1 61 LEU HG . . 5.500 5.629 5.623 5.637 0.137 7 0 "[ . 1]" 1
1108 1 57 SER HB2 1 59 HIS H . . 4.120 4.154 4.142 4.165 0.045 2 0 "[ . 1]" 1
1109 1 57 SER HB2 1 59 HIS HD2 . . 5.500 2.739 2.645 2.810 . 0 0 "[ . 1]" 1
1110 1 57 SER HB2 1 66 HIS HB2 . . 4.360 3.813 3.703 3.966 . 0 0 "[ . 1]" 1
1111 1 57 SER HB3 1 66 HIS HB2 . . 5.500 5.326 5.187 5.505 0.005 2 0 "[ . 1]" 1
1112 1 58 VAL H 1 60 THR H . . 5.180 3.912 3.870 3.941 . 0 0 "[ . 1]" 1
1113 1 58 VAL H 1 61 LEU H . . 5.500 4.014 3.945 4.064 . 0 0 "[ . 1]" 1
1114 1 58 VAL H 1 61 LEU MD2 . . 5.480 4.590 4.586 4.593 . 0 0 "[ . 1]" 1
1115 1 58 VAL H 1 61 LEU HG . . 5.500 3.351 3.317 3.377 . 0 0 "[ . 1]" 1
1116 1 58 VAL HA 1 60 THR H . . 4.340 4.371 4.360 4.376 0.036 7 0 "[ . 1]" 1
1117 1 58 VAL HA 1 60 THR HB . . 5.500 4.879 4.842 4.903 . 0 0 "[ . 1]" 1
1118 1 58 VAL HA 1 61 LEU H . . 4.100 3.912 3.873 3.971 . 0 0 "[ . 1]" 1
1119 1 58 VAL HA 1 61 LEU HB2 . . 4.830 3.953 3.889 4.020 . 0 0 "[ . 1]" 1
1120 1 58 VAL HA 1 61 LEU HB3 . . 5.500 5.388 5.330 5.454 . 0 0 "[ . 1]" 1
1121 1 58 VAL HA 1 61 LEU MD1 . . 3.110 2.645 2.633 2.650 . 0 0 "[ . 1]" 1
1122 1 58 VAL HA 1 61 LEU HG . . 4.050 3.577 3.547 3.628 . 0 0 "[ . 1]" 1
1123 1 58 VAL HA 1 62 LEU H . . 5.500 5.189 5.121 5.266 . 0 0 "[ . 1]" 1
1124 1 59 HIS H 1 59 HIS HD2 . . 4.630 3.238 3.159 3.305 . 0 0 "[ . 1]" 1
1125 1 59 HIS H 1 60 THR H . . 4.280 2.464 2.414 2.491 . 0 0 "[ . 1]" 1
1126 1 59 HIS H 1 61 LEU H . . 4.460 4.506 4.497 4.511 0.051 4 0 "[ . 1]" 1
1127 1 59 HIS H 1 61 LEU HG . . 5.500 5.460 5.445 5.482 . 0 0 "[ . 1]" 1
1128 1 59 HIS H 1 62 LEU HG . . 5.500 5.437 5.365 5.501 0.001 6 0 "[ . 1]" 1
1129 1 59 HIS HA 1 62 LEU MD1 . . 5.500 3.643 3.603 3.686 . 0 0 "[ . 1]" 1
1130 1 59 HIS HA 1 62 LEU MD2 . . 2.910 2.163 2.124 2.221 . 0 0 "[ . 1]" 1
1131 1 59 HIS HA 1 62 LEU HG . . 2.830 2.632 2.544 2.697 . 0 0 "[ . 1]" 1
1132 1 59 HIS HA 1 63 ASP H . . 3.910 3.943 3.936 3.950 0.040 3 0 "[ . 1]" 1
1133 1 59 HIS HA 1 63 ASP HB3 . . 4.450 3.641 3.614 3.680 . 0 0 "[ . 1]" 1
1134 1 59 HIS HA 1 66 HIS HA . . 5.490 5.258 5.206 5.334 . 0 0 "[ . 1]" 1
1135 1 59 HIS HB2 1 62 LEU MD2 . . 5.030 4.171 4.119 4.205 . 0 0 "[ . 1]" 1
1136 1 59 HIS HB2 1 62 LEU HG . . 5.310 4.010 3.905 4.074 . 0 0 "[ . 1]" 1
1137 1 59 HIS HB2 1 63 ASP HB3 . . 5.020 2.381 2.331 2.424 . 0 0 "[ . 1]" 1
1138 1 59 HIS HB2 1 66 HIS HA . . 5.180 2.665 2.594 2.731 . 0 0 "[ . 1]" 1
1139 1 59 HIS HB2 1 69 GLU HB2 . . 5.500 2.733 2.574 2.866 . 0 0 "[ . 1]" 1
1140 1 59 HIS HB3 1 60 THR H . . 3.850 3.991 3.983 4.003 0.153 2 0 "[ . 1]" 1
1141 1 59 HIS HB3 1 62 LEU H . . 5.470 5.524 5.513 5.538 0.068 6 0 "[ . 1]" 1
1142 1 59 HIS HB3 1 62 LEU MD1 . . 5.500 4.282 4.243 4.344 . 0 0 "[ . 1]" 1
1143 1 59 HIS HB3 1 62 LEU MD2 . . 5.500 3.519 3.477 3.568 . 0 0 "[ . 1]" 1
1144 1 59 HIS HB3 1 62 LEU HG . . 4.520 4.146 4.078 4.200 . 0 0 "[ . 1]" 1
1145 1 59 HIS HB3 1 63 ASP HB3 . . 3.790 3.744 3.679 3.804 0.014 2 0 "[ . 1]" 1
1146 1 59 HIS HB3 1 66 HIS H . . 5.150 5.211 5.197 5.220 0.070 6 0 "[ . 1]" 1
1147 1 59 HIS HB3 1 66 HIS HA . . 4.960 4.092 4.021 4.169 . 0 0 "[ . 1]" 1
1148 1 59 HIS HB3 1 67 GLU H . . 5.500 5.049 4.884 5.271 . 0 0 "[ . 1]" 1
1149 1 59 HIS HB3 1 69 GLU HB2 . . 4.730 2.318 2.261 2.390 . 0 0 "[ . 1]" 1
1150 1 59 HIS HD2 1 60 THR HA . . 4.100 3.292 3.212 3.387 . 0 0 "[ . 1]" 1
1151 1 59 HIS HD2 1 60 THR HB . . 4.020 4.062 4.056 4.072 0.052 4 0 "[ . 1]" 1
1152 1 59 HIS HD2 1 60 THR MG . . 4.950 4.082 4.043 4.113 . 0 0 "[ . 1]" 1
1153 1 59 HIS HD2 1 66 HIS HB2 . . 4.120 2.526 2.425 2.662 . 0 0 "[ . 1]" 1
1154 1 59 HIS O 1 63 ASP H . . 2.000 1.808 1.795 1.824 . 0 0 "[ . 1]" 1
1155 1 59 HIS O 1 63 ASP N . . 3.000 2.739 2.709 2.765 . 0 0 "[ . 1]" 1
1156 1 60 THR H 1 60 THR HA . . 2.940 2.774 2.764 2.781 . 0 0 "[ . 1]" 1
1157 1 60 THR H 1 60 THR HB . . 3.430 2.689 2.678 2.705 . 0 0 "[ . 1]" 1
1158 1 60 THR H 1 61 LEU H . . 2.910 2.996 2.988 3.004 0.094 2 0 "[ . 1]" 1
1159 1 60 THR HA 1 60 THR MG . . 2.520 2.212 2.205 2.221 . 0 0 "[ . 1]" 1
1160 1 60 THR HA 1 61 LEU HG . . 5.500 5.157 5.118 5.173 . 0 0 "[ . 1]" 1
1161 1 60 THR HA 1 62 LEU HG . . 5.500 5.327 5.288 5.381 . 0 0 "[ . 1]" 1
1162 1 60 THR HA 1 63 ASP H . . 3.970 3.635 3.579 3.727 . 0 0 "[ . 1]" 1
1163 1 60 THR HA 1 63 ASP HA . . 5.500 5.556 5.544 5.570 0.070 8 0 "[ . 1]" 1
1164 1 60 THR HA 1 63 ASP HB2 . . 4.870 4.911 4.889 4.921 0.051 5 0 "[ . 1]" 1
1165 1 60 THR HA 1 63 ASP HB3 . . 3.690 3.186 3.156 3.227 . 0 0 "[ . 1]" 1
1166 1 60 THR HA 1 64 GLU H . . 5.500 5.545 5.535 5.559 0.059 10 0 "[ . 1]" 1
1167 1 60 THR HA 1 65 LYS H . . 5.500 4.983 4.900 5.175 . 0 0 "[ . 1]" 1
1168 1 60 THR HA 1 66 HIS HB2 . . 3.750 3.533 3.359 3.665 . 0 0 "[ . 1]" 1
1169 1 60 THR HB 1 61 LEU H . . 3.290 2.415 2.386 2.428 . 0 0 "[ . 1]" 1
1170 1 60 THR HB 1 61 LEU MD2 . . 5.500 3.331 3.300 3.357 . 0 0 "[ . 1]" 1
1171 1 60 THR HB 1 61 LEU HG . . 3.960 2.845 2.810 2.863 . 0 0 "[ . 1]" 1
1172 1 60 THR HB 1 66 HIS HB2 . . 4.960 4.992 4.975 5.003 0.043 8 0 "[ . 1]" 1
1173 1 60 THR MG 1 61 LEU H . . 3.940 3.405 3.390 3.410 . 0 0 "[ . 1]" 1
1174 1 60 THR MG 1 61 LEU HA . . 5.110 3.558 3.538 3.575 . 0 0 "[ . 1]" 1
1175 1 61 LEU H 1 61 LEU HB2 . . 3.480 2.385 2.367 2.440 . 0 0 "[ . 1]" 1
1176 1 61 LEU H 1 61 LEU HB3 . . 3.780 3.486 3.477 3.507 . 0 0 "[ . 1]" 1
1177 1 61 LEU H 1 61 LEU MD1 . . 3.800 3.290 3.285 3.294 . 0 0 "[ . 1]" 1
1178 1 61 LEU H 1 61 LEU MD2 . . 3.970 3.076 3.058 3.092 . 0 0 "[ . 1]" 1
1179 1 61 LEU H 1 61 LEU HG . . 4.610 1.963 1.944 1.971 . 0 0 "[ . 1]" 1
1180 1 61 LEU HA 1 61 LEU MD2 . . 2.810 2.138 2.126 2.153 . 0 0 "[ . 1]" 1
1181 1 61 LEU HA 1 61 LEU HG . . 3.440 3.215 3.199 3.229 . 0 0 "[ . 1]" 1
1182 1 61 LEU HB2 1 61 LEU MD1 . . 2.930 2.349 2.331 2.362 . 0 0 "[ . 1]" 1
1183 1 61 LEU HB2 1 62 LEU H . . 3.670 2.581 2.562 2.592 . 0 0 "[ . 1]" 1
1184 1 61 LEU HB2 1 62 LEU HA . . 4.470 4.496 4.484 4.504 0.034 10 0 "[ . 1]" 1
1185 1 61 LEU HB2 1 63 ASP H . . 4.840 4.693 4.624 4.760 . 0 0 "[ . 1]" 1
1186 1 61 LEU HB3 1 61 LEU MD1 . . 3.310 2.335 2.302 2.365 . 0 0 "[ . 1]" 1
1187 1 61 LEU HB3 1 61 LEU MD2 . . 3.490 2.308 2.278 2.319 . 0 0 "[ . 1]" 1
1188 1 61 LEU HB3 1 62 LEU H . . 3.700 3.727 3.706 3.742 0.042 9 0 "[ . 1]" 1
1189 1 62 LEU H 1 62 LEU MD2 . . 3.280 2.806 2.784 2.825 . 0 0 "[ . 1]" 1
1190 1 62 LEU H 1 62 LEU HG . . 3.010 2.572 2.496 2.653 . 0 0 "[ . 1]" 1
1191 1 62 LEU H 1 63 ASP HA . . 5.460 4.992 4.921 5.058 . 0 0 "[ . 1]" 1
1192 1 62 LEU H 1 63 ASP HB3 . . 5.310 4.199 4.126 4.310 . 0 0 "[ . 1]" 1
1193 1 62 LEU HA 1 62 LEU HB2 . . 3.010 2.322 2.307 2.343 . 0 0 "[ . 1]" 1
1194 1 62 LEU HB2 1 62 LEU MD1 . . 3.410 2.262 2.248 2.271 . 0 0 "[ . 1]" 1
1195 1 62 LEU HB2 1 62 LEU MD2 . . 3.520 2.758 2.727 2.796 . 0 0 "[ . 1]" 1
1196 1 62 LEU HB3 1 62 LEU MD2 . . 3.590 2.122 2.094 2.151 . 0 0 "[ . 1]" 1
1197 1 62 LEU MD1 1 63 ASP HA . . 5.500 2.848 2.821 2.864 . 0 0 "[ . 1]" 1
1198 1 62 LEU MD1 1 64 GLU H . . 5.500 4.642 4.633 4.647 . 0 0 "[ . 1]" 1
1199 1 62 LEU HG 1 63 ASP H . . 3.140 2.437 2.371 2.532 . 0 0 "[ . 1]" 1
1200 1 62 LEU HG 1 63 ASP HA . . 5.370 3.672 3.621 3.724 . 0 0 "[ . 1]" 1
1201 1 62 LEU HG 1 63 ASP HB2 . . 5.370 2.418 2.370 2.499 . 0 0 "[ . 1]" 1
1202 1 62 LEU HG 1 63 ASP HB3 . . 4.320 3.230 3.161 3.278 . 0 0 "[ . 1]" 1
1203 1 63 ASP H 1 63 ASP HB2 . . 3.750 2.816 2.757 2.864 . 0 0 "[ . 1]" 1
1204 1 63 ASP H 1 63 ASP HB3 . . 3.220 2.398 2.358 2.446 . 0 0 "[ . 1]" 1
1205 1 63 ASP H 1 64 GLU H . . 4.670 4.405 4.399 4.414 . 0 0 "[ . 1]" 1
1206 1 63 ASP H 1 65 LYS H . . 5.500 5.388 5.336 5.443 . 0 0 "[ . 1]" 1
1207 1 63 ASP HA 1 63 ASP HB2 . . 2.750 2.363 2.345 2.382 . 0 0 "[ . 1]" 1
1208 1 63 ASP HA 1 64 GLU HG2 . . 4.360 3.031 2.848 3.179 . 0 0 "[ . 1]" 1
1209 1 63 ASP HA 1 64 GLU HG3 . . 5.500 4.595 4.539 4.727 . 0 0 "[ . 1]" 1
1210 1 63 ASP HA 1 66 HIS H . . 5.340 5.042 4.973 5.106 . 0 0 "[ . 1]" 1
1211 1 63 ASP HA 1 69 GLU HB2 . . 5.500 5.495 5.412 5.543 0.043 10 0 "[ . 1]" 1
1212 1 63 ASP HA 1 69 GLU HB3 . . 5.500 5.541 5.525 5.568 0.068 2 0 "[ . 1]" 1
1213 1 63 ASP HA 1 69 GLU HG3 . . 5.500 4.556 4.435 4.702 . 0 0 "[ . 1]" 1
1214 1 63 ASP HB2 1 64 GLU H . . 4.290 3.453 3.430 3.477 . 0 0 "[ . 1]" 1
1215 1 63 ASP HB2 1 64 GLU HG2 . . 4.510 4.638 4.611 4.655 0.145 9 0 "[ . 1]" 1
1216 1 63 ASP HB2 1 65 LYS H . . 4.950 4.493 4.386 4.612 . 0 0 "[ . 1]" 1
1217 1 63 ASP HB2 1 65 LYS HD3 . . 4.790 4.970 4.961 4.985 0.195 1 0 "[ . 1]" 1
1218 1 63 ASP HB2 1 65 LYS HG2 . . 5.200 4.597 4.542 4.630 . 0 0 "[ . 1]" 1
1219 1 63 ASP HB2 1 65 LYS HG3 . . 5.500 5.368 5.213 5.546 0.046 6 0 "[ . 1]" 1
1220 1 63 ASP HB2 1 66 HIS HA . . 4.760 4.787 4.762 4.798 0.038 1 0 "[ . 1]" 1
1221 1 63 ASP HB2 1 69 GLU HB2 . . 4.600 3.356 3.253 3.463 . 0 0 "[ . 1]" 1
1222 1 63 ASP HB2 1 69 GLU HB3 . . 4.190 3.508 3.477 3.557 . 0 0 "[ . 1]" 1
1223 1 63 ASP HB2 1 69 GLU HG3 . . 4.070 3.279 3.144 3.487 . 0 0 "[ . 1]" 1
1224 1 63 ASP HB3 1 64 GLU H . . 4.270 3.368 3.319 3.427 . 0 0 "[ . 1]" 1
1225 1 63 ASP HB3 1 65 LYS H . . 4.660 3.668 3.624 3.759 . 0 0 "[ . 1]" 1
1226 1 63 ASP HB3 1 65 LYS HG2 . . 4.470 4.456 4.403 4.490 0.020 2 0 "[ . 1]" 1
1227 1 63 ASP HB3 1 66 HIS HA . . 4.810 3.433 3.391 3.488 . 0 0 "[ . 1]" 1
1228 1 63 ASP HB3 1 66 HIS HB3 . . 5.300 4.193 3.735 4.480 . 0 0 "[ . 1]" 1
1229 1 63 ASP HB3 1 69 GLU HB2 . . 4.550 3.867 3.737 3.979 . 0 0 "[ . 1]" 1
1230 1 63 ASP HB3 1 69 GLU HG3 . . 4.540 4.422 4.316 4.514 . 0 0 "[ . 1]" 1
1231 1 64 GLU H 1 64 GLU HB3 . . 3.370 3.041 2.997 3.148 . 0 0 "[ . 1]" 1
1232 1 64 GLU H 1 64 GLU HG2 . . 3.410 1.907 1.865 1.928 . 0 0 "[ . 1]" 1
1233 1 64 GLU HA 1 64 GLU HB3 . . 2.950 2.392 2.357 2.405 . 0 0 "[ . 1]" 1
1234 1 64 GLU HA 1 64 GLU HG3 . . 4.100 3.807 3.775 3.935 . 0 0 "[ . 1]" 1
1235 1 64 GLU HA 1 65 LYS HG2 . . 5.500 4.878 4.744 5.112 . 0 0 "[ . 1]" 1
1236 1 64 GLU HB2 1 64 GLU HG3 . . 2.740 2.515 2.432 2.534 . 0 0 "[ . 1]" 1
1237 1 64 GLU HB2 1 65 LYS HB3 . . 5.500 4.707 4.635 4.975 . 0 0 "[ . 1]" 1
1238 1 64 GLU HB3 1 64 GLU HG2 . . 2.830 2.491 2.470 2.590 . 0 0 "[ . 1]" 1
1239 1 65 LYS H 1 65 LYS HG3 . . 4.780 3.237 3.068 3.512 . 0 0 "[ . 1]" 1
1240 1 65 LYS HD3 1 65 LYS HG3 . . 2.800 2.484 2.406 2.564 . 0 0 "[ . 1]" 1
1241 1 65 LYS HD3 1 69 GLU HG3 . . 3.650 2.656 2.360 2.774 . 0 0 "[ . 1]" 1
1242 1 66 HIS HD2 1 67 GLU HB2 . . 4.880 4.183 2.603 4.890 0.010 9 0 "[ . 1]" 1
1243 1 66 HIS HD2 1 67 GLU HB3 . . 5.500 5.334 3.663 5.525 0.025 7 0 "[ . 1]" 1
1244 1 66 HIS HD2 1 67 GLU HG3 . . 5.500 4.979 4.160 5.550 0.050 10 0 "[ . 1]" 1
1245 1 67 GLU H 1 67 GLU HG3 . . 5.230 4.724 4.560 4.836 . 0 0 "[ . 1]" 1
1246 1 67 GLU HA 1 67 GLU HG3 . . 3.790 3.068 2.401 3.794 0.004 9 0 "[ . 1]" 1
1247 1 67 GLU HA 1 68 THR H . . 3.330 2.582 2.191 3.456 0.126 2 0 "[ . 1]" 1
1248 1 67 GLU HB2 1 67 GLU HG3 . . 2.940 2.499 2.405 2.989 0.049 10 0 "[ . 1]" 1
1249 1 67 GLU HB2 1 68 THR H . . 5.100 4.108 3.997 4.235 . 0 0 "[ . 1]" 1
1250 1 67 GLU HB3 1 67 GLU HG3 . . 3.000 2.729 2.395 3.034 0.034 8 0 "[ . 1]" 1
1251 1 67 GLU HB3 1 68 THR H . . 4.210 3.269 2.862 4.017 . 0 0 "[ . 1]" 1
1252 1 68 THR HA 1 69 GLU H . . 3.200 3.242 2.867 3.362 0.162 9 0 "[ . 1]" 1
1253 1 69 GLU H 1 69 GLU HB2 . . 4.080 2.590 2.452 2.815 . 0 0 "[ . 1]" 1
1254 1 69 GLU H 1 69 GLU HG3 . . 5.350 4.074 3.887 4.490 . 0 0 "[ . 1]" 1
1255 1 69 GLU HB2 1 69 GLU HG3 . . 2.550 2.509 2.428 2.538 . 0 0 "[ . 1]" 1
1256 1 69 GLU HB3 1 69 GLU HG3 . . 2.550 2.349 2.330 2.389 . 0 0 "[ . 1]" 1
stop_
save_
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