NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454546 |
2yuz   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yuz
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 1367
_Distance_constraint_stats_list.Viol_count 655
_Distance_constraint_stats_list.Viol_total 2300.170
_Distance_constraint_stats_list.Viol_max 0.980
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.1756
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.882 0.591 13 1 "[ . 1 + . 2]"
1 9 LYS 4.220 0.816 14 3 "[ .* 1 +- 2]"
1 10 ILE 2.503 0.488 12 0 "[ . 1 . 2]"
1 11 LEU 1.075 0.276 15 0 "[ . 1 . 2]"
1 12 THR 0.456 0.031 8 0 "[ . 1 . 2]"
1 13 PRO 0.456 0.031 8 0 "[ . 1 . 2]"
1 14 LEU 1.040 0.266 19 0 "[ . 1 . 2]"
1 15 THR 4.045 0.795 3 4 "[ + . * 1 * - 2]"
1 16 ASP 2.755 0.451 6 0 "[ . 1 . 2]"
1 17 GLN 7.233 0.795 3 4 "[ + . * 1 * - 2]"
1 18 THR 0.047 0.045 15 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 19 0 "[ . 1 . 2]"
1 20 ASN 1.154 0.623 15 2 "[ . 1 - + 2]"
1 21 LEU 2.312 0.570 17 3 "[ . * 1 - . + 2]"
1 22 GLY 0.583 0.583 8 1 "[ . + 1 . 2]"
1 23 LYS 0.104 0.101 5 0 "[ . 1 . 2]"
1 24 GLU 0.040 0.037 3 0 "[ . 1 . 2]"
1 25 ILE 0.002 0.002 14 0 "[ . 1 . 2]"
1 26 CYS 3.537 0.367 9 0 "[ . 1 . 2]"
1 27 LEU 1.157 0.364 13 0 "[ . 1 . 2]"
1 28 LYS 2.363 0.412 4 0 "[ . 1 . 2]"
1 29 CYS 8.803 0.594 13 6 "[* * 1 + -* *]"
1 30 GLU 9.057 0.678 16 8 "[* * * ** -+ *]"
1 31 ILE 2.970 0.644 12 3 "[ . 1 + *- 2]"
1 32 SER 4.014 0.816 14 3 "[ .* 1 +- 2]"
1 33 GLU 4.193 0.789 15 2 "[ . 1 - + 2]"
1 34 ASN 4.855 0.961 10 4 "[ *. * + . - 2]"
1 35 ILE 1.615 0.789 15 1 "[ . 1 + 2]"
1 36 PRO 0.021 0.012 5 0 "[ . 1 . 2]"
1 37 GLY 0.003 0.003 5 0 "[ . 1 . 2]"
1 38 LYS 0.094 0.094 13 0 "[ . 1 . 2]"
1 39 TRP 0.097 0.094 13 0 "[ . 1 . 2]"
1 40 THR 2.297 0.271 7 0 "[ . 1 . 2]"
1 41 LYS 0.198 0.061 18 0 "[ . 1 . 2]"
1 42 ASN 3.589 0.980 4 1 "[ +. 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 10.904 0.777 18 7 "[* . * -1 **. + *]"
1 45 PRO 8.564 0.760 13 7 "[* . * -1 +*. * *]"
1 46 VAL 0.977 0.180 7 0 "[ . 1 . 2]"
1 47 GLN 2.299 0.400 1 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 3.145 0.463 9 0 "[ . 1 . 2]"
1 52 LEU 2.505 0.414 5 0 "[ . 1 . 2]"
1 53 LYS 2.227 0.894 5 1 "[ + 1 . 2]"
1 54 VAL 0.003 0.002 5 0 "[ . 1 . 2]"
1 55 VAL 0.001 0.001 4 0 "[ . 1 . 2]"
1 56 GLN 1.621 0.238 5 0 "[ . 1 . 2]"
1 57 LYS 4.325 0.497 5 0 "[ . 1 . 2]"
1 58 GLY 5.064 0.961 10 4 "[ *. * + . - 2]"
1 59 ARG 6.874 0.678 16 3 "[ . * - .+ 2]"
1 60 ILE 6.621 0.497 5 0 "[ . 1 . 2]"
1 61 HIS 0.509 0.171 10 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.162 0.060 18 0 "[ . 1 . 2]"
1 64 VAL 2.514 0.367 9 0 "[ . 1 . 2]"
1 65 ILE 2.491 0.414 5 0 "[ . 1 . 2]"
1 66 ALA 2.679 0.463 9 0 "[ . 1 . 2]"
1 67 ASN 5.151 0.583 8 1 "[ . + 1 . 2]"
1 68 ALA 0.005 0.003 5 0 "[ . 1 . 2]"
1 69 LEU 0.281 0.124 3 0 "[ . 1 . 2]"
1 70 THR 2.595 0.667 18 2 "[ . - . + 2]"
1 71 GLU 1.450 0.433 6 0 "[ . 1 . 2]"
1 72 ASP 0.660 0.433 6 0 "[ . 1 . 2]"
1 73 GLU 11.721 0.853 9 6 "[* . *+- * * 2]"
1 74 GLY 5.384 0.853 9 4 "[* . *+1 - 2]"
1 75 ASP 5.232 0.980 4 3 "[ +. * - . 2]"
1 76 TYR 0.314 0.077 5 0 "[ . 1 . 2]"
1 77 VAL 0.378 0.107 6 0 "[ . 1 . 2]"
1 78 PHE 1.001 0.127 15 0 "[ . 1 . 2]"
1 79 ALA 0.002 0.002 5 0 "[ . 1 . 2]"
1 80 PRO 5.987 0.721 12 7 "[* -* ** + . *2]"
1 81 ASP 0.006 0.003 5 0 "[ . 1 . 2]"
1 82 ALA 0.003 0.002 16 0 "[ . 1 . 2]"
1 83 TYR 0.210 0.210 5 0 "[ . 1 . 2]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 4.962 0.721 12 7 "[* -* ** + . *2]"
1 86 THR 0.016 0.008 5 0 "[ . 1 . 2]"
1 87 LEU 2.539 0.488 12 0 "[ . 1 . 2]"
1 88 PRO 0.370 0.107 6 0 "[ . 1 . 2]"
1 89 ALA 0.127 0.077 5 0 "[ . 1 . 2]"
1 90 LYS 5.101 0.451 6 0 "[ . 1 . 2]"
1 91 VAL 3.161 0.165 14 0 "[ . 1 . 2]"
1 92 HIS 1.031 0.380 5 0 "[ . 1 . 2]"
1 93 VAL 1.527 0.457 18 0 "[ . 1 . 2]"
1 94 ILE 1.153 0.623 15 2 "[ . 1 - + 2]"
1 95 SER 2.312 0.570 17 3 "[ . * 1 - . + 2]"
1 96 GLY 0.314 0.161 17 0 "[ . 1 . 2]"
1 97 PRO 0.314 0.161 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 LEU H . . 3.290 2.237 2.113 2.620 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 83 TYR QE . . 4.510 3.648 2.605 4.243 . 0 0 "[ . 1 . 2]" 1
3 1 8 LEU H 1 8 LEU HB2 . . 3.320 2.704 2.369 3.220 . 0 0 "[ . 1 . 2]" 1
4 1 8 LEU H 1 8 LEU HB3 . . 3.280 2.540 2.357 2.861 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU H 1 8 LEU MD1 . . 4.660 4.153 3.833 4.478 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU H 1 9 LYS H . . 4.770 4.466 4.207 4.624 . 0 0 "[ . 1 . 2]" 1
7 1 8 LEU H 1 83 TYR QD . . 4.850 3.960 3.081 4.783 . 0 0 "[ . 1 . 2]" 1
8 1 8 LEU H 1 83 TYR QE . . 4.750 3.912 2.859 4.748 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU HA 1 8 LEU MD1 . . 3.380 2.274 1.971 2.644 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU HA 1 8 LEU MD2 . . 4.610 3.921 3.848 3.981 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU HA 1 8 LEU HG . . 4.090 3.010 2.852 3.200 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU HA 1 9 LYS H . . 3.010 2.164 2.138 2.228 . 0 0 "[ . 1 . 2]" 1
13 1 8 LEU HB2 1 9 LYS H . . 4.750 4.212 4.001 4.413 . 0 0 "[ . 1 . 2]" 1
14 1 8 LEU HB2 1 83 TYR HB3 . . 5.210 4.465 3.691 5.420 0.210 5 0 "[ . 1 . 2]" 1
15 1 8 LEU HB2 1 83 TYR QD . . 4.270 3.430 2.853 4.191 . 0 0 "[ . 1 . 2]" 1
16 1 8 LEU HB2 1 83 TYR QE . . 4.280 3.369 2.696 4.123 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU HB3 1 85 VAL QG . . 4.200 2.797 1.887 3.872 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU MD1 1 9 LYS H . . 3.760 2.838 2.291 3.471 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU MD1 1 31 ILE HA . . 4.900 4.055 3.438 4.901 0.001 15 0 "[ . 1 . 2]" 1
20 1 8 LEU MD1 1 31 ILE HB . . 3.190 2.291 1.939 3.017 . 0 0 "[ . 1 . 2]" 1
21 1 8 LEU MD1 1 31 ILE MD . . 3.590 2.654 1.993 3.537 . 0 0 "[ . 1 . 2]" 1
22 1 8 LEU MD1 1 32 SER H . . 3.760 2.640 1.964 3.304 . 0 0 "[ . 1 . 2]" 1
23 1 8 LEU MD1 1 33 GLU H . . 3.730 3.182 1.906 3.653 . 0 0 "[ . 1 . 2]" 1
24 1 8 LEU MD1 1 33 GLU HB2 . . 4.300 2.044 1.799 3.357 . 0 0 "[ . 1 . 2]" 1
25 1 8 LEU MD1 1 33 GLU HG2 . . 3.620 2.959 2.022 4.211 0.591 13 1 "[ . 1 + . 2]" 1
26 1 8 LEU MD1 1 35 ILE MD . . 3.930 3.620 2.991 3.921 . 0 0 "[ . 1 . 2]" 1
27 1 8 LEU MD1 1 83 TYR QD . . 4.400 3.755 3.226 4.381 . 0 0 "[ . 1 . 2]" 1
28 1 8 LEU MD1 1 83 TYR QE . . 4.290 3.219 2.562 4.136 . 0 0 "[ . 1 . 2]" 1
29 1 8 LEU MD2 1 9 LYS H . . 5.200 4.462 4.074 4.791 . 0 0 "[ . 1 . 2]" 1
30 1 8 LEU MD2 1 31 ILE HB . . 4.130 3.424 2.646 4.067 . 0 0 "[ . 1 . 2]" 1
31 1 8 LEU MD2 1 31 ILE MD . . 3.730 3.207 2.136 3.728 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU MD2 1 31 ILE MG . . 3.820 2.764 2.013 3.432 . 0 0 "[ . 1 . 2]" 1
33 1 8 LEU MD2 1 35 ILE MD . . 3.960 3.456 2.795 3.951 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU MD2 1 80 PRO QB . . 4.110 3.146 2.324 3.799 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU MD2 1 80 PRO HD2 . . 5.140 4.382 3.611 4.819 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU MD2 1 80 PRO HG2 . . 4.070 3.681 3.164 4.069 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU MD2 1 80 PRO HG3 . . 3.960 2.413 1.916 2.762 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU MD2 1 83 TYR HB2 . . 4.580 3.025 2.535 3.530 . 0 0 "[ . 1 . 2]" 1
39 1 8 LEU MD2 1 83 TYR HB3 . . 4.730 3.958 3.156 4.562 . 0 0 "[ . 1 . 2]" 1
40 1 8 LEU MD2 1 83 TYR QD . . 4.390 2.927 2.404 3.856 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU MD2 1 83 TYR QE . . 4.830 3.793 3.077 4.467 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU MD2 1 85 VAL HB . . 4.510 2.924 2.283 3.913 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU MD2 1 85 VAL QG . . 3.630 1.954 1.685 2.231 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU HG 1 9 LYS H . . 3.640 2.961 2.433 3.363 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU HG 1 31 ILE HB . . 4.480 3.661 2.943 4.302 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU HG 1 32 SER H . . 4.320 3.762 3.153 4.321 0.001 19 0 "[ . 1 . 2]" 1
47 1 9 LYS H 1 9 LYS HB2 . . 3.690 2.667 2.374 3.323 . 0 0 "[ . 1 . 2]" 1
48 1 9 LYS H 1 9 LYS HB3 . . 4.120 3.193 2.522 3.733 . 0 0 "[ . 1 . 2]" 1
49 1 9 LYS H 1 9 LYS HG3 . . 4.970 4.016 2.736 4.702 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS H 1 10 ILE HA . . 5.500 4.873 4.622 5.179 . 0 0 "[ . 1 . 2]" 1
51 1 9 LYS H 1 31 ILE HB . . 5.410 4.857 4.162 5.364 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS H 1 32 SER H . . 3.960 3.381 2.730 3.894 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS H 1 32 SER HA . . 5.500 5.076 4.609 5.409 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS H 1 32 SER QB . . 4.110 2.467 1.890 3.649 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS HA 1 10 ILE H . . 2.880 2.216 2.140 2.401 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS HA 1 10 ILE HB . . 4.830 4.610 4.488 4.806 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS HB2 1 9 LYS QE . . 4.180 3.507 2.304 4.259 0.079 1 0 "[ . 1 . 2]" 1
58 1 9 LYS HB2 1 11 LEU MD2 . . 5.500 4.384 3.525 5.503 0.003 17 0 "[ . 1 . 2]" 1
59 1 9 LYS HB2 1 32 SER H . . 5.500 4.846 3.554 6.287 0.787 6 3 "[ .+ 1 *- 2]" 1
60 1 9 LYS HB2 1 32 SER QB . . 3.840 3.002 1.877 4.656 0.816 14 1 "[ . 1 +. 2]" 1
61 1 9 LYS HB3 1 11 LEU MD2 . . 4.090 3.547 2.506 4.216 0.126 10 0 "[ . 1 . 2]" 1
62 1 9 LYS HB3 1 32 SER QB . . 4.330 3.014 2.007 3.853 . 0 0 "[ . 1 . 2]" 1
63 1 9 LYS QE 1 9 LYS HG2 . . 3.850 2.795 2.079 3.305 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE H 1 10 ILE HB . . 3.200 2.541 2.362 2.681 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE H 1 10 ILE MD . . 3.640 2.462 1.810 3.469 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE H 1 10 ILE HG12 . . 4.310 3.511 1.963 4.154 . 0 0 "[ . 1 . 2]" 1
67 1 10 ILE H 1 10 ILE HG13 . . 3.720 3.019 1.956 4.009 0.289 16 0 "[ . 1 . 2]" 1
68 1 10 ILE H 1 10 ILE MG . . 4.150 3.769 3.720 3.823 . 0 0 "[ . 1 . 2]" 1
69 1 10 ILE HA 1 10 ILE MD . . 4.090 3.178 1.937 3.914 . 0 0 "[ . 1 . 2]" 1
70 1 10 ILE HA 1 10 ILE HG12 . . 3.930 3.277 2.624 3.620 . 0 0 "[ . 1 . 2]" 1
71 1 10 ILE HA 1 10 ILE HG13 . . 4.040 2.702 2.251 3.726 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE HA 1 10 ILE MG . . 3.210 2.373 2.208 2.447 . 0 0 "[ . 1 . 2]" 1
73 1 10 ILE HA 1 11 LEU H . . 3.090 2.163 2.140 2.220 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE HA 1 11 LEU HG . . 4.780 4.007 3.722 4.301 . 0 0 "[ . 1 . 2]" 1
75 1 10 ILE HA 1 31 ILE HA . . 3.570 2.778 2.502 3.311 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE HA 1 31 ILE HB . . 4.640 4.133 3.590 4.621 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE HA 1 31 ILE MG . . 3.640 2.819 2.217 3.521 . 0 0 "[ . 1 . 2]" 1
78 1 10 ILE HB 1 10 ILE MD . . 3.610 2.393 2.081 3.227 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE HG12 1 10 ILE MG . . 3.600 2.335 1.997 3.198 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE HG12 1 87 LEU MD2 . . 4.210 3.040 2.346 4.207 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE HG13 1 87 LEU MD1 . . 3.980 3.223 2.097 4.197 0.217 12 0 "[ . 1 . 2]" 1
82 1 10 ILE HG13 1 87 LEU MD2 . . 3.720 3.429 2.622 4.208 0.488 12 0 "[ . 1 . 2]" 1
83 1 10 ILE MG 1 11 LEU H . . 3.730 2.853 2.320 3.361 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE MG 1 12 THR H . . 3.670 3.156 2.584 3.647 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE MG 1 13 PRO HA . . 3.250 2.592 2.081 2.890 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE MG 1 13 PRO HB2 . . 4.100 3.471 3.263 3.668 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE MG 1 13 PRO HB3 . . 3.660 2.011 1.846 2.222 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE MG 1 13 PRO HD2 . . 4.740 3.605 3.404 3.887 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE MG 1 13 PRO HD3 . . 4.340 2.170 1.968 2.592 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE MG 1 13 PRO HG3 . . 4.440 2.955 2.430 3.428 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MG 1 14 LEU H . . 4.520 4.250 3.738 4.506 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE MG 1 87 LEU MD2 . . 3.350 2.081 1.848 2.490 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU H 1 11 LEU HB2 . . 3.570 2.482 2.347 2.639 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU H 1 11 LEU HB3 . . 3.970 3.615 3.583 3.675 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU H 1 11 LEU MD1 . . 4.260 3.583 3.264 3.972 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU H 1 11 LEU MD2 . . 4.210 3.550 3.053 4.022 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU H 1 11 LEU HG . . 3.590 2.442 2.043 2.790 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU H 1 30 GLU HB3 . . 4.820 4.195 3.800 4.568 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU H 1 31 ILE H . . 5.060 4.654 4.409 4.973 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU H 1 31 ILE HA . . 3.340 2.362 2.127 2.672 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU H 1 31 ILE HB . . 4.980 4.695 4.383 4.965 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU H 1 31 ILE MG . . 4.160 3.536 3.144 3.889 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU HA 1 11 LEU MD1 . . 3.900 3.896 3.731 3.927 0.027 2 0 "[ . 1 . 2]" 1
104 1 11 LEU HA 1 11 LEU MD2 . . 3.080 2.179 1.975 2.547 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU HA 1 11 LEU HG . . 4.010 3.058 2.743 3.339 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU HB2 1 12 THR H . . 3.440 2.210 2.025 2.452 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU HB2 1 30 GLU HB3 . . 4.170 2.528 2.161 2.848 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU HB2 1 30 GLU QG . . 4.500 2.810 2.020 3.990 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU HB2 1 31 ILE HA . . 4.660 3.558 2.971 3.998 . 0 0 "[ . 1 . 2]" 1
110 1 11 LEU HB3 1 11 LEU MD1 . . 3.390 2.448 2.250 2.669 . 0 0 "[ . 1 . 2]" 1
111 1 11 LEU HB3 1 11 LEU MD2 . . 3.330 2.288 2.059 2.486 . 0 0 "[ . 1 . 2]" 1
112 1 11 LEU HB3 1 12 THR H . . 3.870 3.302 2.945 3.622 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU HB3 1 30 GLU HB3 . . 4.620 3.658 3.098 4.078 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU HB3 1 30 GLU QG . . 4.800 3.913 3.125 4.749 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU MD1 1 30 GLU QG . . 3.690 2.337 1.945 3.505 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU MD1 1 31 ILE HA . . 4.190 3.566 2.815 4.466 0.276 15 0 "[ . 1 . 2]" 1
117 1 11 LEU MD1 1 32 SER H . . 4.690 3.701 2.801 4.825 0.135 15 0 "[ . 1 . 2]" 1
118 1 11 LEU MD1 1 32 SER HA . . 3.470 2.583 2.077 3.172 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU MD1 1 32 SER QB . . 4.170 3.103 2.484 3.929 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU MD1 1 59 ARG QD . . 4.060 3.846 2.905 4.113 0.053 19 0 "[ . 1 . 2]" 1
121 1 11 LEU MD2 1 32 SER HA . . 4.290 4.146 3.886 4.293 0.003 19 0 "[ . 1 . 2]" 1
122 1 11 LEU MD2 1 32 SER QB . . 4.210 3.053 2.433 4.046 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU HG 1 31 ILE HA . . 4.440 3.277 2.596 3.749 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU HG 1 32 SER H . . 4.360 3.445 3.151 3.989 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU HG 1 32 SER HA . . 4.940 3.751 3.421 4.139 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU HG 1 32 SER QB . . 4.450 2.930 2.522 3.813 . 0 0 "[ . 1 . 2]" 1
127 1 12 THR H 1 12 THR HB . . 3.440 2.759 2.586 2.961 . 0 0 "[ . 1 . 2]" 1
128 1 12 THR H 1 12 THR MG . . 4.520 3.903 3.834 3.952 . 0 0 "[ . 1 . 2]" 1
129 1 12 THR H 1 29 CYS HA . . 5.370 5.037 4.632 5.275 . 0 0 "[ . 1 . 2]" 1
130 1 12 THR H 1 30 GLU H . . 3.550 2.991 2.773 3.178 . 0 0 "[ . 1 . 2]" 1
131 1 12 THR H 1 30 GLU HB2 . . 4.370 3.913 3.637 4.194 . 0 0 "[ . 1 . 2]" 1
132 1 12 THR H 1 30 GLU HB3 . . 3.670 2.342 1.992 2.643 . 0 0 "[ . 1 . 2]" 1
133 1 12 THR H 1 30 GLU QG . . 4.620 3.864 3.412 4.509 . 0 0 "[ . 1 . 2]" 1
134 1 12 THR H 1 31 ILE HA . . 4.530 3.883 3.608 4.110 . 0 0 "[ . 1 . 2]" 1
135 1 12 THR H 1 31 ILE MG . . 5.040 4.330 3.952 4.701 . 0 0 "[ . 1 . 2]" 1
136 1 12 THR H 1 87 LEU MD2 . . 5.500 5.072 4.432 5.502 0.002 19 0 "[ . 1 . 2]" 1
137 1 12 THR HB 1 29 CYS HA . . 4.140 3.309 2.997 3.605 . 0 0 "[ . 1 . 2]" 1
138 1 12 THR HB 1 30 GLU H . . 3.400 2.159 1.902 2.776 . 0 0 "[ . 1 . 2]" 1
139 1 12 THR HB 1 30 GLU HB2 . . 3.810 2.532 2.180 2.918 . 0 0 "[ . 1 . 2]" 1
140 1 12 THR HB 1 30 GLU HB3 . . 3.550 2.248 2.007 2.730 . 0 0 "[ . 1 . 2]" 1
141 1 12 THR MG 1 13 PRO HD2 . . 3.930 3.172 3.038 3.248 . 0 0 "[ . 1 . 2]" 1
142 1 12 THR MG 1 13 PRO HD3 . . 4.250 4.270 4.205 4.281 0.031 8 0 "[ . 1 . 2]" 1
143 1 12 THR MG 1 13 PRO HG2 . . 4.660 4.431 4.346 4.556 . 0 0 "[ . 1 . 2]" 1
144 1 12 THR MG 1 13 PRO HG3 . . 5.500 5.356 5.280 5.410 . 0 0 "[ . 1 . 2]" 1
145 1 12 THR MG 1 29 CYS HA . . 3.910 3.098 2.261 3.693 . 0 0 "[ . 1 . 2]" 1
146 1 12 THR MG 1 30 GLU H . . 4.130 3.360 2.911 3.961 . 0 0 "[ . 1 . 2]" 1
147 1 12 THR MG 1 30 GLU HB3 . . 5.070 3.864 3.597 4.233 . 0 0 "[ . 1 . 2]" 1
148 1 13 PRO HA 1 14 LEU H . . 3.250 2.271 2.161 2.489 . 0 0 "[ . 1 . 2]" 1
149 1 13 PRO HA 1 87 LEU MD1 . . 5.370 4.657 4.314 5.082 . 0 0 "[ . 1 . 2]" 1
150 1 13 PRO HA 1 87 LEU MD2 . . 3.820 2.100 1.894 2.391 . 0 0 "[ . 1 . 2]" 1
151 1 13 PRO HB2 1 14 LEU H . . 3.800 3.004 2.402 3.469 . 0 0 "[ . 1 . 2]" 1
152 1 13 PRO HB3 1 14 LEU H . . 4.270 3.673 3.351 3.957 . 0 0 "[ . 1 . 2]" 1
153 1 13 PRO HG2 1 15 THR MG . . 4.170 3.878 3.556 4.037 . 0 0 "[ . 1 . 2]" 1
154 1 13 PRO HG3 1 15 THR MG . . 5.500 5.379 5.075 5.502 0.002 14 0 "[ . 1 . 2]" 1
155 1 14 LEU H 1 14 LEU HB2 . . 3.430 2.648 2.516 2.720 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU H 1 14 LEU MD2 . . 4.700 3.470 3.334 3.635 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU H 1 14 LEU HG . . 4.310 1.986 1.901 2.206 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU H 1 15 THR H . . 4.820 4.598 4.456 4.648 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU H 1 29 CYS HB2 . . 4.850 3.668 3.095 4.387 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU H 1 87 LEU HB2 . . 4.710 4.237 3.782 4.615 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU H 1 87 LEU HB3 . . 4.350 3.007 2.544 3.377 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU H 1 87 LEU MD2 . . 3.900 2.424 1.888 2.909 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU HA 1 14 LEU MD1 . . 4.580 3.954 3.936 3.971 . 0 0 "[ . 1 . 2]" 1
164 1 14 LEU HA 1 14 LEU MD2 . . 3.360 2.454 2.337 2.577 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU HA 1 15 THR H . . 2.860 2.251 2.138 2.510 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU HB2 1 14 LEU MD1 . . 3.450 2.045 1.986 2.176 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU HB2 1 15 THR H . . 4.280 3.861 3.295 4.256 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU HB2 1 89 ALA MB . . 3.850 2.260 2.012 2.515 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU HB3 1 14 LEU MD2 . . 3.210 2.146 2.041 2.237 . 0 0 "[ . 1 . 2]" 1
170 1 14 LEU HB3 1 15 THR H . . 3.620 2.894 2.226 3.492 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU HB3 1 89 ALA MB . . 3.710 2.521 2.246 2.782 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU MD1 1 27 LEU MD1 . . 4.290 3.728 3.018 4.105 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU MD1 1 39 TRP HZ3 . . 3.670 2.533 2.034 2.754 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU MD1 1 77 VAL HA . . 4.220 3.511 3.320 3.716 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU MD1 1 78 PHE H . . 3.790 3.162 2.930 3.443 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU MD1 1 78 PHE HB3 . . 4.060 2.575 2.008 3.301 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU MD1 1 87 LEU HB2 . . 4.260 2.592 2.272 2.869 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU MD1 1 88 PRO HA . . 4.580 4.496 4.294 4.581 0.001 12 0 "[ . 1 . 2]" 1
179 1 14 LEU MD1 1 89 ALA H . . 4.930 4.442 4.138 4.804 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU MD1 1 89 ALA HA . . 5.120 4.457 4.080 4.913 . 0 0 "[ . 1 . 2]" 1
181 1 14 LEU MD1 1 89 ALA MB . . 3.300 2.388 2.131 2.766 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU MD2 1 15 THR H . . 4.060 3.648 3.324 3.894 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU MD2 1 27 LEU HA . . 4.230 3.832 3.347 4.165 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU MD2 1 27 LEU HB2 . . 4.040 3.485 2.941 3.906 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU MD2 1 27 LEU HB3 . . 3.710 2.263 1.807 2.584 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU MD2 1 27 LEU MD1 . . 4.420 3.167 2.632 3.581 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU MD2 1 27 LEU MD2 . . 4.000 2.936 2.669 3.346 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU MD2 1 28 LYS H . . 3.630 3.528 3.304 3.629 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU MD2 1 28 LYS HA . . 4.350 3.824 3.535 4.132 . 0 0 "[ . 1 . 2]" 1
190 1 14 LEU MD2 1 29 CYS H . . 3.890 3.818 3.618 3.891 0.001 15 0 "[ . 1 . 2]" 1
191 1 14 LEU MD2 1 29 CYS HA . . 4.370 3.830 3.313 4.148 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU MD2 1 29 CYS HB2 . . 3.510 3.121 1.929 3.776 0.266 19 0 "[ . 1 . 2]" 1
193 1 14 LEU MD2 1 29 CYS HB3 . . 3.780 2.420 1.971 3.616 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU MD2 1 39 TRP HE3 . . 4.080 4.043 3.929 4.082 0.002 15 0 "[ . 1 . 2]" 1
195 1 14 LEU MD2 1 39 TRP HH2 . . 3.410 2.104 1.962 2.350 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU MD2 1 39 TRP HZ2 . . 4.030 3.896 3.589 4.031 0.001 5 0 "[ . 1 . 2]" 1
197 1 14 LEU MD2 1 39 TRP HZ3 . . 4.140 2.026 1.965 2.128 . 0 0 "[ . 1 . 2]" 1
198 1 14 LEU MD2 1 61 HIS H . . 5.500 5.431 5.241 5.496 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU MD2 1 61 HIS HB2 . . 4.620 4.444 4.119 4.787 0.167 11 0 "[ . 1 . 2]" 1
200 1 14 LEU MD2 1 63 LEU H . . 5.240 4.954 4.598 5.202 . 0 0 "[ . 1 . 2]" 1
201 1 14 LEU HG 1 29 CYS HB2 . . 4.160 3.183 2.414 3.642 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU HG 1 29 CYS HB3 . . 4.510 2.822 2.224 4.421 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU HG 1 87 LEU HB2 . . 4.580 3.846 3.586 4.318 . 0 0 "[ . 1 . 2]" 1
204 1 15 THR H 1 15 THR MG . . 3.870 2.950 2.519 3.294 . 0 0 "[ . 1 . 2]" 1
205 1 15 THR H 1 17 GLN HE21 . . 4.760 4.299 3.421 5.394 0.634 13 1 "[ . 1 + . 2]" 1
206 1 15 THR H 1 27 LEU MD2 . . 4.710 3.483 2.953 4.124 . 0 0 "[ . 1 . 2]" 1
207 1 15 THR H 1 89 ALA MB . . 4.820 4.179 3.668 4.747 . 0 0 "[ . 1 . 2]" 1
208 1 15 THR HB 1 16 ASP H . . 3.460 2.666 1.921 3.199 . 0 0 "[ . 1 . 2]" 1
209 1 15 THR MG 1 16 ASP H . . 4.000 3.691 3.331 3.923 . 0 0 "[ . 1 . 2]" 1
210 1 15 THR MG 1 17 GLN HE21 . . 4.950 4.975 4.405 5.745 0.795 3 3 "[ + . * 1 - 2]" 1
211 1 16 ASP H 1 16 ASP HB2 . . 3.720 3.550 2.882 3.643 . 0 0 "[ . 1 . 2]" 1
212 1 16 ASP H 1 16 ASP HB3 . . 3.280 2.761 2.505 3.580 0.300 6 0 "[ . 1 . 2]" 1
213 1 16 ASP HA 1 17 GLN H . . 2.910 2.156 2.139 2.220 . 0 0 "[ . 1 . 2]" 1
214 1 16 ASP HA 1 89 ALA MB . . 4.210 3.917 3.600 4.120 . 0 0 "[ . 1 . 2]" 1
215 1 16 ASP HA 1 90 LYS H . . 3.520 2.920 2.674 3.204 . 0 0 "[ . 1 . 2]" 1
216 1 16 ASP HB2 1 17 GLN H . . 3.640 3.365 3.076 3.849 0.209 6 0 "[ . 1 . 2]" 1
217 1 16 ASP HB2 1 90 LYS H . . 4.410 4.426 4.045 4.861 0.451 6 0 "[ . 1 . 2]" 1
218 1 16 ASP HB2 1 90 LYS QB . . 4.580 3.233 2.781 3.868 . 0 0 "[ . 1 . 2]" 1
219 1 16 ASP HB3 1 17 GLN H . . 4.270 4.069 2.978 4.265 . 0 0 "[ . 1 . 2]" 1
220 1 16 ASP HB3 1 90 LYS H . . 4.860 3.327 2.850 3.910 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLN H 1 17 GLN HB2 . . 3.650 2.595 2.414 2.921 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLN H 1 17 GLN HB3 . . 3.900 3.581 2.978 3.845 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLN H 1 17 GLN HG2 . . 4.720 3.999 3.038 5.001 0.281 15 0 "[ . 1 . 2]" 1
224 1 17 GLN H 1 17 GLN HG3 . . 5.280 4.243 3.110 4.718 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLN H 1 27 LEU MD2 . . 3.850 3.739 3.590 3.850 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLN H 1 89 ALA MB . . 4.770 4.683 4.525 4.770 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLN H 1 90 LYS H . . 4.980 4.557 4.326 4.911 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLN H 1 90 LYS QB . . 4.880 4.571 4.195 4.836 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLN H 1 91 VAL HA . . 4.520 3.054 2.802 3.338 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLN H 1 92 HIS H . . 4.970 4.735 4.344 4.931 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLN HB2 1 18 THR H . . 4.510 4.303 4.097 4.453 . 0 0 "[ . 1 . 2]" 1
232 1 17 GLN HB2 1 27 LEU MD2 . . 3.640 2.309 2.033 2.463 . 0 0 "[ . 1 . 2]" 1
233 1 17 GLN HB2 1 91 VAL HA . . 5.440 4.574 4.007 5.545 0.105 20 0 "[ . 1 . 2]" 1
234 1 17 GLN HB2 1 91 VAL MG1 . . 4.130 2.968 2.303 4.107 . 0 0 "[ . 1 . 2]" 1
235 1 17 GLN HB3 1 17 GLN HE21 . . 4.470 4.139 3.619 4.481 0.011 7 0 "[ . 1 . 2]" 1
236 1 17 GLN HB3 1 17 GLN HE22 . . 4.910 4.762 4.467 5.171 0.261 13 0 "[ . 1 . 2]" 1
237 1 17 GLN HB3 1 18 THR H . . 3.890 3.372 2.994 3.935 0.045 15 0 "[ . 1 . 2]" 1
238 1 17 GLN HB3 1 27 LEU MD2 . . 3.520 3.360 2.605 3.594 0.074 10 0 "[ . 1 . 2]" 1
239 1 17 GLN HE21 1 27 LEU MD2 . . 4.320 3.223 1.700 4.684 0.364 13 0 "[ . 1 . 2]" 1
240 1 17 GLN HE22 1 27 LEU MD2 . . 5.140 4.101 2.038 5.379 0.239 1 0 "[ . 1 . 2]" 1
241 1 17 GLN HG2 1 27 LEU MD2 . . 4.130 2.905 2.169 4.287 0.157 4 0 "[ . 1 . 2]" 1
242 1 17 GLN HG3 1 27 LEU MD2 . . 4.390 3.025 1.842 4.357 . 0 0 "[ . 1 . 2]" 1
243 1 18 THR H 1 18 THR HB . . 3.380 2.676 2.524 2.832 . 0 0 "[ . 1 . 2]" 1
244 1 18 THR H 1 18 THR MG . . 4.390 3.860 3.739 3.937 . 0 0 "[ . 1 . 2]" 1
245 1 18 THR H 1 19 VAL H . . 4.670 4.295 4.032 4.419 . 0 0 "[ . 1 . 2]" 1
246 1 18 THR H 1 19 VAL QG . . 4.730 3.481 3.243 3.781 . 0 0 "[ . 1 . 2]" 1
247 1 18 THR HA 1 18 THR MG . . 3.420 2.362 2.196 2.493 . 0 0 "[ . 1 . 2]" 1
248 1 18 THR HA 1 19 VAL H . . 2.910 2.157 2.141 2.214 . 0 0 "[ . 1 . 2]" 1
249 1 18 THR HA 1 19 VAL QG . . 4.180 3.317 3.207 3.510 . 0 0 "[ . 1 . 2]" 1
250 1 18 THR HA 1 91 VAL HA . . 4.710 4.102 3.830 4.494 . 0 0 "[ . 1 . 2]" 1
251 1 18 THR HA 1 92 HIS H . . 3.640 2.731 2.487 3.062 . 0 0 "[ . 1 . 2]" 1
252 1 18 THR HA 1 92 HIS QB . . 3.570 3.347 2.831 3.572 0.002 17 0 "[ . 1 . 2]" 1
253 1 18 THR HB 1 19 VAL H . . 4.810 4.217 4.026 4.451 . 0 0 "[ . 1 . 2]" 1
254 1 18 THR MG 1 19 VAL H . . 3.680 2.592 2.263 2.922 . 0 0 "[ . 1 . 2]" 1
255 1 18 THR MG 1 92 HIS H . . 4.910 3.665 3.273 4.602 . 0 0 "[ . 1 . 2]" 1
256 1 18 THR MG 1 92 HIS QB . . 3.550 2.207 2.014 2.746 . 0 0 "[ . 1 . 2]" 1
257 1 18 THR MG 1 92 HIS HD2 . . 4.250 3.338 2.229 4.190 . 0 0 "[ . 1 . 2]" 1
258 1 18 THR MG 1 94 ILE H . . 4.790 4.177 3.727 4.500 . 0 0 "[ . 1 . 2]" 1
259 1 18 THR MG 1 94 ILE MD . . 3.280 2.492 2.012 3.008 . 0 0 "[ . 1 . 2]" 1
260 1 18 THR MG 1 94 ILE QG . . 3.960 2.985 2.436 3.690 . 0 0 "[ . 1 . 2]" 1
261 1 19 VAL H 1 19 VAL HB . . 4.050 3.705 2.906 3.962 . 0 0 "[ . 1 . 2]" 1
262 1 19 VAL H 1 19 VAL QG . . 3.420 2.243 1.905 2.601 . 0 0 "[ . 1 . 2]" 1
263 1 19 VAL H 1 20 ASN H . . 4.840 4.404 4.289 4.452 . 0 0 "[ . 1 . 2]" 1
264 1 19 VAL H 1 92 HIS H . . 4.440 3.930 3.684 4.213 . 0 0 "[ . 1 . 2]" 1
265 1 19 VAL H 1 92 HIS QB . . 4.600 4.392 3.944 4.597 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL H 1 93 VAL HA . . 3.720 3.458 3.107 3.702 . 0 0 "[ . 1 . 2]" 1
267 1 19 VAL HB 1 20 ASN H . . 3.660 2.617 2.028 3.660 . 19 0 "[ . 1 . 2]" 1
268 1 19 VAL HB 1 23 LYS QB . . 3.960 2.444 1.979 3.805 . 0 0 "[ . 1 . 2]" 1
269 1 19 VAL QG 1 20 ASN H . . 3.930 2.904 1.883 3.416 . 0 0 "[ . 1 . 2]" 1
270 1 19 VAL QG 1 23 LYS H . . 4.580 3.949 3.592 4.178 . 0 0 "[ . 1 . 2]" 1
271 1 19 VAL QG 1 23 LYS QB . . 3.620 2.240 1.780 2.653 . 0 0 "[ . 1 . 2]" 1
272 1 19 VAL QG 1 25 ILE HA . . 3.710 2.653 2.247 2.968 . 0 0 "[ . 1 . 2]" 1
273 1 19 VAL QG 1 25 ILE QG . . 4.320 2.511 1.725 3.931 . 0 0 "[ . 1 . 2]" 1
274 1 19 VAL QG 1 26 CYS H . . 4.830 3.686 3.126 4.079 . 0 0 "[ . 1 . 2]" 1
275 1 19 VAL QG 1 68 ALA MB . . 3.780 2.598 2.177 3.619 . 0 0 "[ . 1 . 2]" 1
276 1 20 ASN H 1 20 ASN QB . . 3.200 2.367 2.143 2.746 . 0 0 "[ . 1 . 2]" 1
277 1 20 ASN H 1 23 LYS QB . . 4.120 3.201 2.717 3.852 . 0 0 "[ . 1 . 2]" 1
278 1 20 ASN H 1 23 LYS HG2 . . 4.720 3.876 3.199 4.463 . 0 0 "[ . 1 . 2]" 1
279 1 20 ASN H 1 23 LYS HG3 . . 4.430 2.483 1.927 3.204 . 0 0 "[ . 1 . 2]" 1
280 1 20 ASN H 1 94 ILE H . . 5.310 4.662 4.196 4.958 . 0 0 "[ . 1 . 2]" 1
281 1 20 ASN H 1 94 ILE MD . . 4.660 4.124 3.212 4.668 0.008 13 0 "[ . 1 . 2]" 1
282 1 20 ASN H 1 94 ILE QG . . 5.360 4.191 3.057 5.192 . 0 0 "[ . 1 . 2]" 1
283 1 20 ASN HA 1 20 ASN HD22 . . 4.880 4.118 3.584 4.473 . 0 0 "[ . 1 . 2]" 1
284 1 20 ASN HA 1 21 LEU H . . 2.960 2.362 2.179 2.593 . 0 0 "[ . 1 . 2]" 1
285 1 20 ASN HA 1 21 LEU HB2 . . 4.750 4.425 4.323 4.573 . 0 0 "[ . 1 . 2]" 1
286 1 20 ASN HA 1 94 ILE H . . 4.640 2.304 1.924 2.553 . 0 0 "[ . 1 . 2]" 1
287 1 20 ASN HA 1 94 ILE HB . . 3.610 2.143 2.000 2.431 . 0 0 "[ . 1 . 2]" 1
288 1 20 ASN HA 1 94 ILE MD . . 4.640 3.188 1.982 3.718 . 0 0 "[ . 1 . 2]" 1
289 1 20 ASN HA 1 94 ILE QG . . 4.360 2.679 1.909 3.567 . 0 0 "[ . 1 . 2]" 1
290 1 20 ASN HA 1 94 ILE MG . . 4.470 3.791 3.585 4.077 . 0 0 "[ . 1 . 2]" 1
291 1 20 ASN QB 1 21 LEU H . . 3.730 2.806 2.023 3.513 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASN QB 1 23 LYS QD . . 4.580 3.924 2.780 4.404 . 0 0 "[ . 1 . 2]" 1
293 1 20 ASN QB 1 23 LYS HG2 . . 4.350 2.963 2.410 3.830 . 0 0 "[ . 1 . 2]" 1
294 1 20 ASN QB 1 23 LYS HG3 . . 4.130 2.528 2.089 3.125 . 0 0 "[ . 1 . 2]" 1
295 1 20 ASN QB 1 94 ILE QG . . 5.500 3.954 2.439 4.972 . 0 0 "[ . 1 . 2]" 1
296 1 20 ASN HD21 1 94 ILE MD . . 4.840 3.820 2.314 5.463 0.623 15 2 "[ . 1 - + 2]" 1
297 1 21 LEU H 1 21 LEU HB2 . . 3.250 2.301 2.158 2.529 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU H 1 21 LEU HB3 . . 3.210 2.773 2.594 3.044 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU H 1 21 LEU QD . . 4.400 3.642 3.466 3.736 . 0 0 "[ . 1 . 2]" 1
300 1 21 LEU H 1 21 LEU HG . . 4.640 4.394 4.094 4.512 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU H 1 22 GLY H . . 4.820 4.563 4.454 4.623 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU H 1 93 VAL MG2 . . 4.020 2.899 2.304 3.602 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU H 1 94 ILE H . . 4.320 3.211 2.740 3.900 . 0 0 "[ . 1 . 2]" 1
304 1 21 LEU H 1 94 ILE HB . . 4.400 3.136 2.611 3.867 . 0 0 "[ . 1 . 2]" 1
305 1 21 LEU H 1 94 ILE QG . . 5.000 4.414 3.628 4.881 . 0 0 "[ . 1 . 2]" 1
306 1 21 LEU H 1 95 SER HA . . 4.920 4.399 3.219 4.892 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU HA 1 21 LEU QD . . 3.670 2.658 2.268 3.046 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU HA 1 21 LEU HG . . 3.990 2.518 2.281 2.763 . 0 0 "[ . 1 . 2]" 1
309 1 21 LEU HA 1 22 GLY H . . 3.000 2.177 2.143 2.238 . 0 0 "[ . 1 . 2]" 1
310 1 21 LEU HA 1 22 GLY HA3 . . 4.670 4.420 4.391 4.454 . 0 0 "[ . 1 . 2]" 1
311 1 21 LEU HA 1 23 LYS H . . 4.210 3.604 3.359 3.889 . 0 0 "[ . 1 . 2]" 1
312 1 21 LEU HA 1 25 ILE MD . . 5.500 5.253 4.926 5.488 . 0 0 "[ . 1 . 2]" 1
313 1 21 LEU HA 1 68 ALA MB . . 3.650 2.656 2.109 3.101 . 0 0 "[ . 1 . 2]" 1
314 1 21 LEU HA 1 93 VAL MG1 . . 5.500 4.667 4.138 5.389 . 0 0 "[ . 1 . 2]" 1
315 1 21 LEU HA 1 93 VAL MG2 . . 3.530 2.333 1.995 2.776 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU HB2 1 22 GLY H . . 4.510 4.299 4.084 4.482 . 0 0 "[ . 1 . 2]" 1
317 1 21 LEU HB2 1 93 VAL MG2 . . 4.050 2.572 1.850 3.022 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU HB3 1 22 GLY H . . 4.600 3.958 3.668 4.148 . 0 0 "[ . 1 . 2]" 1
319 1 21 LEU HB3 1 93 VAL MG2 . . 4.330 3.871 3.194 4.220 . 0 0 "[ . 1 . 2]" 1
320 1 21 LEU QD 1 22 GLY H . . 4.220 2.885 2.145 3.667 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU QD 1 70 THR H . . 4.130 2.665 1.824 3.383 . 0 0 "[ . 1 . 2]" 1
322 1 21 LEU QD 1 93 VAL MG2 . . 3.690 2.328 1.724 3.213 . 0 0 "[ . 1 . 2]" 1
323 1 21 LEU QD 1 95 SER HA . . 4.190 3.300 2.742 3.924 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU QD 1 95 SER HB2 . . 5.040 3.992 2.666 4.658 . 0 0 "[ . 1 . 2]" 1
325 1 21 LEU QD 1 95 SER HB3 . . 4.420 3.965 2.085 4.990 0.570 17 3 "[ . * 1 - . + 2]" 1
326 1 21 LEU HG 1 22 GLY H . . 3.820 2.866 2.263 3.452 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU HG 1 93 VAL MG2 . . 4.450 3.201 2.250 4.165 . 0 0 "[ . 1 . 2]" 1
328 1 22 GLY H 1 23 LYS H . . 3.570 2.847 2.279 3.144 . 0 0 "[ . 1 . 2]" 1
329 1 22 GLY H 1 25 ILE MD . . 5.500 5.182 4.720 5.478 . 0 0 "[ . 1 . 2]" 1
330 1 22 GLY H 1 68 ALA H . . 4.120 2.994 2.687 3.373 . 0 0 "[ . 1 . 2]" 1
331 1 22 GLY H 1 68 ALA MB . . 3.540 2.285 1.885 2.669 . 0 0 "[ . 1 . 2]" 1
332 1 22 GLY H 1 93 VAL MG2 . . 4.600 3.847 3.476 4.345 . 0 0 "[ . 1 . 2]" 1
333 1 22 GLY HA2 1 67 ASN HA . . 4.120 3.285 2.768 3.715 . 0 0 "[ . 1 . 2]" 1
334 1 22 GLY HA2 1 67 ASN HB2 . . 4.770 4.412 3.793 4.754 . 0 0 "[ . 1 . 2]" 1
335 1 22 GLY HA2 1 67 ASN HB3 . . 4.180 2.833 2.247 4.132 . 0 0 "[ . 1 . 2]" 1
336 1 22 GLY HA2 1 68 ALA H . . 4.330 3.094 2.629 3.822 . 0 0 "[ . 1 . 2]" 1
337 1 22 GLY HA3 1 67 ASN HB3 . . 4.940 4.480 3.841 5.523 0.583 8 1 "[ . + 1 . 2]" 1
338 1 22 GLY HA3 1 68 ALA MB . . 4.780 4.424 3.946 4.775 . 0 0 "[ . 1 . 2]" 1
339 1 23 LYS H 1 23 LYS QB . . 3.190 2.304 2.187 2.476 . 0 0 "[ . 1 . 2]" 1
340 1 23 LYS H 1 23 LYS QD . . 4.480 4.090 3.678 4.477 . 0 0 "[ . 1 . 2]" 1
341 1 23 LYS H 1 23 LYS HG2 . . 3.350 2.709 2.164 3.451 0.101 5 0 "[ . 1 . 2]" 1
342 1 23 LYS H 1 23 LYS HG3 . . 3.990 3.456 2.583 3.894 . 0 0 "[ . 1 . 2]" 1
343 1 23 LYS H 1 68 ALA H . . 3.870 3.652 2.966 3.873 0.003 5 0 "[ . 1 . 2]" 1
344 1 23 LYS H 1 68 ALA MB . . 3.850 2.870 2.137 3.360 . 0 0 "[ . 1 . 2]" 1
345 1 23 LYS QB 1 24 GLU H . . 4.080 2.355 1.977 2.776 . 0 0 "[ . 1 . 2]" 1
346 1 23 LYS QD 1 24 GLU H . . 3.910 3.053 2.493 3.905 . 0 0 "[ . 1 . 2]" 1
347 1 23 LYS HE3 1 23 LYS HG3 . . 4.150 3.168 2.156 3.845 . 0 0 "[ . 1 . 2]" 1
348 1 23 LYS HG2 1 24 GLU H . . 4.650 4.333 3.708 4.581 . 0 0 "[ . 1 . 2]" 1
349 1 23 LYS HG3 1 24 GLU H . . 4.940 4.694 4.452 4.926 . 0 0 "[ . 1 . 2]" 1
350 1 24 GLU H 1 24 GLU HB2 . . 3.190 2.738 2.474 3.078 . 0 0 "[ . 1 . 2]" 1
351 1 24 GLU H 1 24 GLU HB3 . . 2.840 2.561 2.415 2.835 . 0 0 "[ . 1 . 2]" 1
352 1 24 GLU H 1 24 GLU HG3 . . 4.810 4.530 4.377 4.663 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLU H 1 25 ILE H . . 4.800 4.168 4.012 4.434 . 0 0 "[ . 1 . 2]" 1
354 1 24 GLU HA 1 24 GLU HG3 . . 3.920 2.467 2.247 2.862 . 0 0 "[ . 1 . 2]" 1
355 1 24 GLU HA 1 25 ILE H . . 2.950 2.194 2.143 2.240 . 0 0 "[ . 1 . 2]" 1
356 1 24 GLU HA 1 65 ILE H . . 4.770 4.560 4.099 4.762 . 0 0 "[ . 1 . 2]" 1
357 1 24 GLU HA 1 66 ALA HA . . 4.200 4.058 3.629 4.200 0.000 17 0 "[ . 1 . 2]" 1
358 1 24 GLU HA 1 67 ASN H . . 5.080 4.993 4.794 5.079 . 0 0 "[ . 1 . 2]" 1
359 1 24 GLU HB2 1 25 ILE H . . 4.590 4.508 4.293 4.589 . 0 0 "[ . 1 . 2]" 1
360 1 24 GLU HG2 1 25 ILE H . . 4.340 3.960 2.778 4.303 . 0 0 "[ . 1 . 2]" 1
361 1 24 GLU HG2 1 26 CYS HB3 . . 4.990 4.339 3.868 5.027 0.037 3 0 "[ . 1 . 2]" 1
362 1 24 GLU HG2 1 64 VAL MG1 . . 4.640 4.017 3.397 4.463 . 0 0 "[ . 1 . 2]" 1
363 1 24 GLU HG2 1 64 VAL MG2 . . 4.810 3.267 1.882 3.780 . 0 0 "[ . 1 . 2]" 1
364 1 24 GLU HG2 1 66 ALA HA . . 4.770 4.673 3.986 4.770 . 0 0 "[ . 1 . 2]" 1
365 1 24 GLU HG3 1 25 ILE H . . 3.800 3.752 3.657 3.802 0.002 14 0 "[ . 1 . 2]" 1
366 1 24 GLU HG3 1 64 VAL MG2 . . 3.690 3.384 2.268 3.685 . 0 0 "[ . 1 . 2]" 1
367 1 24 GLU HG3 1 66 ALA HA . . 3.690 3.009 2.578 3.208 . 0 0 "[ . 1 . 2]" 1
368 1 25 ILE H 1 25 ILE HB . . 3.760 2.551 2.355 2.705 . 0 0 "[ . 1 . 2]" 1
369 1 25 ILE H 1 25 ILE MD . . 4.280 3.258 2.890 3.957 . 0 0 "[ . 1 . 2]" 1
370 1 25 ILE H 1 25 ILE QG . . 3.890 2.100 1.897 2.541 . 0 0 "[ . 1 . 2]" 1
371 1 25 ILE H 1 25 ILE MG . . 4.460 3.759 3.716 3.774 . 0 0 "[ . 1 . 2]" 1
372 1 25 ILE H 1 65 ILE H . . 3.850 3.350 2.823 3.617 . 0 0 "[ . 1 . 2]" 1
373 1 25 ILE H 1 65 ILE HB . . 4.400 3.008 2.575 3.291 . 0 0 "[ . 1 . 2]" 1
374 1 25 ILE H 1 66 ALA HA . . 5.500 5.340 4.968 5.499 . 0 0 "[ . 1 . 2]" 1
375 1 25 ILE H 1 68 ALA MB . . 4.520 3.217 2.824 3.835 . 0 0 "[ . 1 . 2]" 1
376 1 25 ILE HA 1 25 ILE MD . . 4.120 3.261 2.109 3.918 . 0 0 "[ . 1 . 2]" 1
377 1 25 ILE HA 1 25 ILE MG . . 3.500 2.359 2.224 2.535 . 0 0 "[ . 1 . 2]" 1
378 1 25 ILE HA 1 26 CYS H . . 2.880 2.268 2.189 2.335 . 0 0 "[ . 1 . 2]" 1
379 1 25 ILE HB 1 25 ILE MD . . 3.270 2.622 2.150 3.226 . 0 0 "[ . 1 . 2]" 1
380 1 25 ILE HB 1 26 CYS H . . 4.360 3.865 3.704 4.066 . 0 0 "[ . 1 . 2]" 1
381 1 25 ILE HB 1 65 ILE H . . 4.290 2.351 1.913 2.909 . 0 0 "[ . 1 . 2]" 1
382 1 25 ILE HB 1 65 ILE HG12 . . 5.480 4.164 3.566 5.108 . 0 0 "[ . 1 . 2]" 1
383 1 25 ILE HB 1 68 ALA MB . . 5.500 4.136 3.738 4.553 . 0 0 "[ . 1 . 2]" 1
384 1 25 ILE MD 1 25 ILE MG . . 3.100 2.113 1.886 2.434 . 0 0 "[ . 1 . 2]" 1
385 1 25 ILE MD 1 68 ALA H . . 4.370 4.124 3.637 4.340 . 0 0 "[ . 1 . 2]" 1
386 1 25 ILE MD 1 68 ALA HA . . 4.300 2.599 2.048 3.540 . 0 0 "[ . 1 . 2]" 1
387 1 25 ILE MD 1 68 ALA MB . . 2.780 1.928 1.760 2.398 . 0 0 "[ . 1 . 2]" 1
388 1 25 ILE MD 1 69 LEU H . . 4.660 3.982 3.326 4.588 . 0 0 "[ . 1 . 2]" 1
389 1 25 ILE MD 1 72 ASP QB . . 3.780 2.935 2.364 3.377 . 0 0 "[ . 1 . 2]" 1
390 1 25 ILE QG 1 68 ALA H . . 4.710 3.880 3.231 4.554 . 0 0 "[ . 1 . 2]" 1
391 1 25 ILE MG 1 26 CYS H . . 3.700 2.012 1.901 2.340 . 0 0 "[ . 1 . 2]" 1
392 1 25 ILE MG 1 26 CYS HA . . 4.560 3.335 3.014 3.703 . 0 0 "[ . 1 . 2]" 1
393 1 25 ILE MG 1 27 LEU HG . . 3.610 2.722 2.504 2.925 . 0 0 "[ . 1 . 2]" 1
394 1 25 ILE MG 1 65 ILE H . . 4.600 3.353 3.026 3.798 . 0 0 "[ . 1 . 2]" 1
395 1 25 ILE MG 1 65 ILE HB . . 4.390 3.901 3.539 4.365 . 0 0 "[ . 1 . 2]" 1
396 1 26 CYS H 1 26 CYS HB2 . . 3.870 3.828 2.907 4.009 0.139 16 0 "[ . 1 . 2]" 1
397 1 26 CYS H 1 26 CYS HB3 . . 3.970 3.177 2.708 3.911 . 0 0 "[ . 1 . 2]" 1
398 1 26 CYS H 1 27 LEU HG . . 4.830 3.576 3.251 3.809 . 0 0 "[ . 1 . 2]" 1
399 1 26 CYS HA 1 27 LEU H . . 2.960 2.188 2.140 2.293 . 0 0 "[ . 1 . 2]" 1
400 1 26 CYS HA 1 64 VAL MG1 . . 4.180 2.353 1.810 3.992 . 0 0 "[ . 1 . 2]" 1
401 1 26 CYS HB2 1 27 LEU H . . 4.440 3.293 2.763 4.095 . 0 0 "[ . 1 . 2]" 1
402 1 26 CYS HB2 1 64 VAL HB . . 4.640 3.969 2.526 4.986 0.346 12 0 "[ . 1 . 2]" 1
403 1 26 CYS HB2 1 64 VAL MG1 . . 4.710 2.811 1.979 4.457 . 0 0 "[ . 1 . 2]" 1
404 1 26 CYS HB2 1 64 VAL MG2 . . 5.380 4.811 3.808 5.380 0.000 12 0 "[ . 1 . 2]" 1
405 1 26 CYS HB3 1 27 LEU H . . 4.600 4.165 3.178 4.379 . 0 0 "[ . 1 . 2]" 1
406 1 26 CYS HB3 1 64 VAL HB . . 5.490 3.748 2.949 4.203 . 0 0 "[ . 1 . 2]" 1
407 1 26 CYS HB3 1 64 VAL MG1 . . 4.460 3.125 2.055 4.562 0.102 18 0 "[ . 1 . 2]" 1
408 1 26 CYS HB3 1 64 VAL MG2 . . 5.000 4.737 3.130 5.367 0.367 9 0 "[ . 1 . 2]" 1
409 1 27 LEU H 1 27 LEU HB2 . . 3.680 2.773 2.633 2.896 . 0 0 "[ . 1 . 2]" 1
410 1 27 LEU H 1 27 LEU HB3 . . 4.080 3.842 3.759 3.917 . 0 0 "[ . 1 . 2]" 1
411 1 27 LEU H 1 27 LEU MD1 . . 4.600 4.161 3.788 4.430 . 0 0 "[ . 1 . 2]" 1
412 1 27 LEU H 1 27 LEU MD2 . . 4.360 4.218 4.097 4.340 . 0 0 "[ . 1 . 2]" 1
413 1 27 LEU H 1 27 LEU HG . . 3.890 3.408 3.060 3.599 . 0 0 "[ . 1 . 2]" 1
414 1 27 LEU H 1 28 LYS H . . 4.790 4.089 3.845 4.423 . 0 0 "[ . 1 . 2]" 1
415 1 27 LEU H 1 63 LEU H . . 3.780 2.838 2.594 3.119 . 0 0 "[ . 1 . 2]" 1
416 1 27 LEU H 1 63 LEU HB3 . . 5.050 4.022 3.624 4.517 . 0 0 "[ . 1 . 2]" 1
417 1 27 LEU HA 1 27 LEU MD2 . . 3.340 2.166 1.981 2.454 . 0 0 "[ . 1 . 2]" 1
418 1 27 LEU HA 1 28 LYS H . . 2.890 2.159 2.138 2.304 . 0 0 "[ . 1 . 2]" 1
419 1 27 LEU HB2 1 27 LEU MD1 . . 3.630 2.187 2.043 2.342 . 0 0 "[ . 1 . 2]" 1
420 1 27 LEU HB2 1 28 LYS H . . 4.720 4.297 3.813 4.454 . 0 0 "[ . 1 . 2]" 1
421 1 27 LEU HB2 1 39 TRP HH2 . . 4.240 3.358 2.838 3.771 . 0 0 "[ . 1 . 2]" 1
422 1 27 LEU HB2 1 39 TRP HZ3 . . 4.430 3.412 2.560 3.917 . 0 0 "[ . 1 . 2]" 1
423 1 27 LEU HB2 1 63 LEU H . . 4.050 3.387 2.908 3.763 . 0 0 "[ . 1 . 2]" 1
424 1 27 LEU HB2 1 63 LEU HB2 . . 4.630 4.238 3.792 4.542 . 0 0 "[ . 1 . 2]" 1
425 1 27 LEU HB2 1 63 LEU HB3 . . 4.140 2.693 2.219 3.065 . 0 0 "[ . 1 . 2]" 1
426 1 27 LEU HB2 1 63 LEU MD2 . . 4.410 3.347 2.727 3.928 . 0 0 "[ . 1 . 2]" 1
427 1 27 LEU HB3 1 27 LEU MD1 . . 3.670 2.498 2.343 2.672 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU HB3 1 28 LYS H . . 3.970 3.415 2.658 3.683 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU HB3 1 39 TRP HH2 . . 4.090 3.081 2.631 3.699 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU HB3 1 39 TRP HZ3 . . 4.300 3.074 2.545 3.841 . 0 0 "[ . 1 . 2]" 1
431 1 27 LEU MD1 1 39 TRP HH2 . . 5.000 4.013 3.400 4.409 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU MD1 1 39 TRP HZ3 . . 3.680 2.656 1.988 3.334 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU MD1 1 76 TYR HB2 . . 3.990 3.399 2.937 3.891 . 0 0 "[ . 1 . 2]" 1
434 1 27 LEU MD1 1 76 TYR HB3 . . 4.030 3.466 2.809 4.026 . 0 0 "[ . 1 . 2]" 1
435 1 27 LEU MD1 1 76 TYR QD . . 4.350 3.226 2.323 3.924 . 0 0 "[ . 1 . 2]" 1
436 1 27 LEU MD1 1 89 ALA MB . . 3.820 3.473 2.871 3.797 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU MD2 1 28 LYS H . . 4.090 3.474 3.229 3.681 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU MD2 1 76 TYR HB2 . . 5.260 4.399 3.747 4.828 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU MD2 1 89 ALA MB . . 3.280 3.179 2.953 3.281 0.001 19 0 "[ . 1 . 2]" 1
440 1 28 LYS H 1 28 LYS HB2 . . 4.160 3.051 2.705 3.419 . 0 0 "[ . 1 . 2]" 1
441 1 28 LYS H 1 28 LYS HB3 . . 3.540 2.707 2.492 2.982 . 0 0 "[ . 1 . 2]" 1
442 1 28 LYS H 1 28 LYS HG2 . . 4.650 4.487 4.228 4.734 0.084 13 0 "[ . 1 . 2]" 1
443 1 28 LYS H 1 29 CYS H . . 4.780 4.427 4.256 4.543 . 0 0 "[ . 1 . 2]" 1
444 1 28 LYS HA 1 28 LYS HG2 . . 4.010 2.968 2.424 3.363 . 0 0 "[ . 1 . 2]" 1
445 1 28 LYS HA 1 28 LYS HG3 . . 4.170 2.708 2.217 3.573 . 0 0 "[ . 1 . 2]" 1
446 1 28 LYS HA 1 29 CYS H . . 2.900 2.235 2.163 2.372 . 0 0 "[ . 1 . 2]" 1
447 1 28 LYS HA 1 60 ILE MG . . 5.190 3.804 3.461 4.174 . 0 0 "[ . 1 . 2]" 1
448 1 28 LYS HA 1 62 LYS H . . 5.040 4.798 4.467 5.039 . 0 0 "[ . 1 . 2]" 1
449 1 28 LYS HA 1 62 LYS HA . . 3.540 2.383 2.162 2.783 . 0 0 "[ . 1 . 2]" 1
450 1 28 LYS HA 1 62 LYS HB2 . . 4.650 3.774 2.880 4.363 . 0 0 "[ . 1 . 2]" 1
451 1 28 LYS HA 1 63 LEU H . . 4.330 3.717 3.476 4.202 . 0 0 "[ . 1 . 2]" 1
452 1 28 LYS HB2 1 29 CYS H . . 4.050 4.066 3.848 4.338 0.288 7 0 "[ . 1 . 2]" 1
453 1 28 LYS HB3 1 29 CYS H . . 4.440 3.908 3.314 4.217 . 0 0 "[ . 1 . 2]" 1
454 1 28 LYS HD2 1 60 ILE MG . . 4.560 3.318 1.951 4.253 . 0 0 "[ . 1 . 2]" 1
455 1 28 LYS HD3 1 60 ILE MG . . 4.380 3.318 1.828 4.295 . 0 0 "[ . 1 . 2]" 1
456 1 28 LYS HE2 1 60 ILE MG . . 4.550 3.052 1.799 4.396 . 0 0 "[ . 1 . 2]" 1
457 1 28 LYS HE3 1 28 LYS HG2 . . 4.230 3.256 2.166 3.921 . 0 0 "[ . 1 . 2]" 1
458 1 28 LYS HE3 1 60 ILE MG . . 3.960 3.385 1.963 4.372 0.412 4 0 "[ . 1 . 2]" 1
459 1 28 LYS HG2 1 29 CYS H . . 3.970 2.538 1.928 3.269 . 0 0 "[ . 1 . 2]" 1
460 1 28 LYS HG2 1 60 ILE MG . . 3.310 2.473 1.946 3.052 . 0 0 "[ . 1 . 2]" 1
461 1 28 LYS HG3 1 29 CYS H . . 4.160 3.027 2.424 3.965 . 0 0 "[ . 1 . 2]" 1
462 1 28 LYS HG3 1 60 ILE MG . . 3.850 2.413 1.980 2.992 . 0 0 "[ . 1 . 2]" 1
463 1 29 CYS H 1 30 GLU H . . 4.790 4.358 4.216 4.438 . 0 0 "[ . 1 . 2]" 1
464 1 29 CYS H 1 60 ILE MG . . 4.410 2.749 2.583 2.975 . 0 0 "[ . 1 . 2]" 1
465 1 29 CYS H 1 61 HIS H . . 3.910 3.066 2.658 3.601 . 0 0 "[ . 1 . 2]" 1
466 1 29 CYS H 1 61 HIS HB2 . . 4.720 3.960 3.332 4.600 . 0 0 "[ . 1 . 2]" 1
467 1 29 CYS H 1 62 LYS HA . . 4.150 3.786 3.455 4.131 . 0 0 "[ . 1 . 2]" 1
468 1 29 CYS HA 1 30 GLU H . . 3.170 2.301 2.173 2.451 . 0 0 "[ . 1 . 2]" 1
469 1 29 CYS HA 1 30 GLU HB2 . . 4.930 4.238 4.087 4.477 . 0 0 "[ . 1 . 2]" 1
470 1 29 CYS HB2 1 30 GLU H . . 4.090 3.086 2.326 4.090 0.000 14 0 "[ . 1 . 2]" 1
471 1 29 CYS HB2 1 87 LEU MD2 . . 4.080 3.176 2.685 3.973 . 0 0 "[ . 1 . 2]" 1
472 1 29 CYS HB3 1 30 GLU H . . 3.490 3.810 3.262 4.084 0.594 13 6 "[* * 1 + -* *]" 1
473 1 29 CYS HB3 1 87 LEU MD2 . . 3.890 3.652 3.195 4.015 0.125 5 0 "[ . 1 . 2]" 1
474 1 30 GLU H 1 30 GLU HB2 . . 4.150 2.913 2.735 3.153 . 0 0 "[ . 1 . 2]" 1
475 1 30 GLU H 1 30 GLU HB3 . . 3.940 2.764 2.552 2.931 . 0 0 "[ . 1 . 2]" 1
476 1 30 GLU H 1 30 GLU QG . . 4.810 4.110 4.025 4.238 . 0 0 "[ . 1 . 2]" 1
477 1 30 GLU H 1 31 ILE MG . . 4.360 4.139 3.859 4.351 . 0 0 "[ . 1 . 2]" 1
478 1 30 GLU H 1 60 ILE MG . . 4.630 4.497 4.254 4.625 . 0 0 "[ . 1 . 2]" 1
479 1 30 GLU HA 1 30 GLU QG . . 3.730 2.337 2.211 2.538 . 0 0 "[ . 1 . 2]" 1
480 1 30 GLU HA 1 31 ILE H . . 3.050 2.248 2.139 2.337 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLU HA 1 60 ILE HA . . 3.760 2.459 2.099 2.693 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLU HA 1 60 ILE HG12 . . 4.670 2.859 2.254 4.389 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLU HA 1 60 ILE MG . . 4.700 3.329 3.096 3.583 . 0 0 "[ . 1 . 2]" 1
484 1 30 GLU HA 1 61 HIS H . . 3.960 3.738 3.366 3.952 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLU HB2 1 31 ILE H . . 4.730 4.121 3.854 4.402 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLU QG 1 31 ILE H . . 3.640 2.344 1.896 2.977 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLU QG 1 59 ARG HB2 . . 4.570 3.628 2.795 4.016 . 0 0 "[ . 1 . 2]" 1
488 1 30 GLU QG 1 59 ARG HB3 . . 4.400 3.957 3.039 5.078 0.678 16 3 "[ . * - .+ 2]" 1
489 1 30 GLU QG 1 60 ILE MD . . 4.280 3.105 2.487 4.175 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLU QG 1 60 ILE HG12 . . 4.510 2.447 2.008 3.896 . 0 0 "[ . 1 . 2]" 1
491 1 30 GLU QG 1 60 ILE HG13 . . 4.400 2.937 2.000 4.199 . 0 0 "[ . 1 . 2]" 1
492 1 31 ILE H 1 31 ILE MD . . 4.530 3.920 3.710 4.113 . 0 0 "[ . 1 . 2]" 1
493 1 31 ILE H 1 31 ILE HG12 . . 3.500 2.391 2.014 2.841 . 0 0 "[ . 1 . 2]" 1
494 1 31 ILE H 1 31 ILE HG13 . . 3.880 2.738 2.389 3.006 . 0 0 "[ . 1 . 2]" 1
495 1 31 ILE H 1 31 ILE MG . . 3.950 3.205 2.951 3.408 . 0 0 "[ . 1 . 2]" 1
496 1 31 ILE H 1 32 SER H . . 5.370 4.429 4.378 4.494 . 0 0 "[ . 1 . 2]" 1
497 1 31 ILE H 1 59 ARG HA . . 4.590 4.320 3.653 4.550 . 0 0 "[ . 1 . 2]" 1
498 1 31 ILE H 1 59 ARG HB2 . . 5.000 3.838 2.755 4.482 . 0 0 "[ . 1 . 2]" 1
499 1 31 ILE H 1 59 ARG HB3 . . 4.160 3.424 2.703 4.804 0.644 12 2 "[ . 1 + .- 2]" 1
500 1 31 ILE H 1 60 ILE HA . . 4.470 3.609 3.149 4.038 . 0 0 "[ . 1 . 2]" 1
501 1 31 ILE HA 1 31 ILE MD . . 4.640 4.167 4.131 4.181 . 0 0 "[ . 1 . 2]" 1
502 1 31 ILE HA 1 31 ILE MG . . 3.360 2.202 2.102 2.402 . 0 0 "[ . 1 . 2]" 1
503 1 31 ILE HA 1 32 SER H . . 3.220 2.429 2.281 2.641 . 0 0 "[ . 1 . 2]" 1
504 1 31 ILE HB 1 31 ILE MD . . 3.440 2.376 2.254 2.495 . 0 0 "[ . 1 . 2]" 1
505 1 31 ILE HB 1 32 SER H . . 3.290 2.329 1.887 2.695 . 0 0 "[ . 1 . 2]" 1
506 1 31 ILE HB 1 32 SER HA . . 5.500 4.552 4.336 4.771 . 0 0 "[ . 1 . 2]" 1
507 1 31 ILE HB 1 33 GLU H . . 3.450 2.924 2.146 3.356 . 0 0 "[ . 1 . 2]" 1
508 1 31 ILE MD 1 32 SER H . . 4.570 4.194 3.885 4.514 . 0 0 "[ . 1 . 2]" 1
509 1 31 ILE MD 1 33 GLU H . . 4.100 3.161 2.729 3.692 . 0 0 "[ . 1 . 2]" 1
510 1 31 ILE MD 1 33 GLU HB2 . . 4.350 3.397 2.292 4.976 0.626 15 1 "[ . 1 + 2]" 1
511 1 31 ILE MD 1 61 HIS HD2 . . 4.000 2.680 1.989 3.463 . 0 0 "[ . 1 . 2]" 1
512 1 31 ILE MD 1 78 PHE QE . . 3.650 3.423 2.968 3.650 . 0 0 "[ . 1 . 2]" 1
513 1 31 ILE MD 1 78 PHE HZ . . 4.460 3.549 3.180 3.788 . 0 0 "[ . 1 . 2]" 1
514 1 31 ILE MD 1 80 PRO QB . . 4.390 3.840 3.356 4.290 . 0 0 "[ . 1 . 2]" 1
515 1 31 ILE HG12 1 32 SER H . . 5.500 4.780 4.497 5.026 . 0 0 "[ . 1 . 2]" 1
516 1 31 ILE HG12 1 33 GLU H . . 5.040 4.077 3.784 4.650 . 0 0 "[ . 1 . 2]" 1
517 1 31 ILE HG12 1 61 HIS HD2 . . 3.930 3.019 2.345 3.504 . 0 0 "[ . 1 . 2]" 1
518 1 31 ILE HG13 1 32 SER HA . . 5.130 4.530 4.269 5.016 . 0 0 "[ . 1 . 2]" 1
519 1 31 ILE HG13 1 33 GLU H . . 3.850 2.415 2.058 3.208 . 0 0 "[ . 1 . 2]" 1
520 1 31 ILE HG13 1 59 ARG HA . . 4.570 3.142 2.480 3.678 . 0 0 "[ . 1 . 2]" 1
521 1 31 ILE HG13 1 59 ARG HB2 . . 5.110 3.981 2.158 4.669 . 0 0 "[ . 1 . 2]" 1
522 1 31 ILE HG13 1 59 ARG HB3 . . 4.180 2.891 2.009 4.252 0.072 12 0 "[ . 1 . 2]" 1
523 1 31 ILE HG13 1 61 HIS HD2 . . 4.770 4.449 3.829 4.736 . 0 0 "[ . 1 . 2]" 1
524 1 31 ILE MG 1 32 SER H . . 4.040 3.486 3.177 3.765 . 0 0 "[ . 1 . 2]" 1
525 1 31 ILE MG 1 61 HIS HD2 . . 4.160 3.330 2.528 3.914 . 0 0 "[ . 1 . 2]" 1
526 1 32 SER H 1 32 SER QB . . 3.540 2.414 2.274 2.857 . 0 0 "[ . 1 . 2]" 1
527 1 32 SER H 1 33 GLU H . . 3.980 2.953 2.255 3.341 . 0 0 "[ . 1 . 2]" 1
528 1 32 SER HA 1 59 ARG QD . . 3.920 3.254 2.437 3.831 . 0 0 "[ . 1 . 2]" 1
529 1 33 GLU H 1 33 GLU HB2 . . 3.890 3.030 2.373 4.082 0.192 15 0 "[ . 1 . 2]" 1
530 1 33 GLU H 1 33 GLU HG3 . . 4.670 4.598 3.709 5.004 0.334 17 0 "[ . 1 . 2]" 1
531 1 33 GLU HB3 1 34 ASN H . . 4.800 3.170 2.521 4.127 . 0 0 "[ . 1 . 2]" 1
532 1 33 GLU HB3 1 35 ILE H . . 4.450 3.675 2.496 5.239 0.789 15 1 "[ . 1 + 2]" 1
533 1 33 GLU HB3 1 35 ILE HG12 . . 4.550 3.087 2.409 4.446 . 0 0 "[ . 1 . 2]" 1
534 1 33 GLU HB3 1 35 ILE MG . . 4.010 3.226 2.379 4.019 0.009 15 0 "[ . 1 . 2]" 1
535 1 34 ASN HA 1 35 ILE H . . 3.120 2.441 2.198 2.840 . 0 0 "[ . 1 . 2]" 1
536 1 34 ASN HA 1 56 GLN HE21 . . 4.800 4.044 3.381 4.470 . 0 0 "[ . 1 . 2]" 1
537 1 34 ASN HA 1 56 GLN HE22 . . 4.710 4.446 3.427 4.796 0.086 12 0 "[ . 1 . 2]" 1
538 1 34 ASN HB2 1 34 ASN HD22 . . 3.990 3.644 3.440 4.097 0.107 14 0 "[ . 1 . 2]" 1
539 1 34 ASN HB2 1 35 ILE H . . 4.880 4.517 4.092 4.659 . 0 0 "[ . 1 . 2]" 1
540 1 34 ASN HB3 1 34 ASN HD22 . . 3.970 3.699 3.436 4.095 0.125 3 0 "[ . 1 . 2]" 1
541 1 34 ASN HD21 1 58 GLY QA . . 4.530 3.636 2.413 5.411 0.881 4 2 "[ +. 1 . - 2]" 1
542 1 34 ASN HD22 1 58 GLY QA . . 4.620 3.617 2.082 5.581 0.961 10 2 "[ . - + . 2]" 1
543 1 35 ILE H 1 35 ILE HG12 . . 4.400 3.230 2.534 3.818 . 0 0 "[ . 1 . 2]" 1
544 1 35 ILE H 1 35 ILE HG13 . . 4.020 2.238 1.911 2.798 . 0 0 "[ . 1 . 2]" 1
545 1 35 ILE H 1 35 ILE MG . . 3.650 3.001 2.540 3.334 . 0 0 "[ . 1 . 2]" 1
546 1 35 ILE H 1 56 GLN HE21 . . 4.510 4.166 3.623 4.562 0.052 2 0 "[ . 1 . 2]" 1
547 1 35 ILE H 1 56 GLN HE22 . . 4.670 4.095 3.459 4.669 . 0 0 "[ . 1 . 2]" 1
548 1 35 ILE HA 1 35 ILE MD . . 4.570 3.832 3.600 4.122 . 0 0 "[ . 1 . 2]" 1
549 1 35 ILE HA 1 35 ILE MG . . 3.510 2.300 2.134 2.398 . 0 0 "[ . 1 . 2]" 1
550 1 35 ILE HA 1 36 PRO HD2 . . 3.410 2.322 2.250 2.368 . 0 0 "[ . 1 . 2]" 1
551 1 35 ILE HA 1 36 PRO HD3 . . 3.190 2.275 2.258 2.288 . 0 0 "[ . 1 . 2]" 1
552 1 35 ILE HA 1 36 PRO QG . . 4.430 3.955 3.912 3.982 . 0 0 "[ . 1 . 2]" 1
553 1 35 ILE HA 1 56 GLN HE21 . . 5.160 4.980 4.342 5.342 0.182 15 0 "[ . 1 . 2]" 1
554 1 35 ILE HA 1 56 GLN HE22 . . 5.500 3.966 3.328 5.236 . 0 0 "[ . 1 . 2]" 1
555 1 35 ILE HB 1 35 ILE MD . . 3.400 2.219 2.098 2.293 . 0 0 "[ . 1 . 2]" 1
556 1 35 ILE HB 1 36 PRO HD2 . . 3.170 2.123 2.002 2.267 . 0 0 "[ . 1 . 2]" 1
557 1 35 ILE HB 1 36 PRO HD3 . . 4.040 3.556 3.451 3.680 . 0 0 "[ . 1 . 2]" 1
558 1 35 ILE HB 1 81 ASP H . . 5.280 4.477 4.143 4.723 . 0 0 "[ . 1 . 2]" 1
559 1 35 ILE HB 1 81 ASP QB . . 4.850 4.514 4.129 4.850 . 19 0 "[ . 1 . 2]" 1
560 1 35 ILE HB 1 83 TYR QE . . 4.640 4.520 4.215 4.636 . 0 0 "[ . 1 . 2]" 1
561 1 35 ILE MD 1 36 PRO HA . . 5.200 4.432 3.769 5.212 0.012 5 0 "[ . 1 . 2]" 1
562 1 35 ILE MD 1 36 PRO HD3 . . 5.210 4.702 4.256 5.112 . 0 0 "[ . 1 . 2]" 1
563 1 35 ILE MD 1 80 PRO HA . . 4.250 3.077 2.658 3.325 . 0 0 "[ . 1 . 2]" 1
564 1 35 ILE MD 1 80 PRO QB . . 3.340 1.838 1.702 2.015 . 0 0 "[ . 1 . 2]" 1
565 1 35 ILE MD 1 80 PRO HG3 . . 3.920 3.537 3.097 3.948 0.028 8 0 "[ . 1 . 2]" 1
566 1 35 ILE MD 1 81 ASP H . . 4.460 2.762 2.285 3.160 . 0 0 "[ . 1 . 2]" 1
567 1 35 ILE MD 1 81 ASP QB . . 4.470 3.841 3.306 4.306 . 0 0 "[ . 1 . 2]" 1
568 1 35 ILE MD 1 82 ALA H . . 4.760 2.793 2.429 3.515 . 0 0 "[ . 1 . 2]" 1
569 1 35 ILE MD 1 82 ALA HA . . 5.440 4.451 3.979 5.373 . 0 0 "[ . 1 . 2]" 1
570 1 35 ILE MD 1 83 TYR QD . . 3.700 2.569 1.801 3.113 . 0 0 "[ . 1 . 2]" 1
571 1 35 ILE MD 1 83 TYR QE . . 3.440 2.758 2.039 3.389 . 0 0 "[ . 1 . 2]" 1
572 1 35 ILE MG 1 36 PRO HD2 . . 4.110 3.086 2.747 3.326 . 0 0 "[ . 1 . 2]" 1
573 1 35 ILE MG 1 36 PRO HD3 . . 4.220 3.854 3.528 4.016 . 0 0 "[ . 1 . 2]" 1
574 1 35 ILE MG 1 83 TYR QE . . 4.260 3.028 2.400 3.756 . 0 0 "[ . 1 . 2]" 1
575 1 36 PRO HA 1 37 GLY H . . 3.090 2.227 2.155 2.370 . 0 0 "[ . 1 . 2]" 1
576 1 36 PRO HA 1 56 GLN HE21 . . 5.390 3.960 3.247 4.690 . 0 0 "[ . 1 . 2]" 1
577 1 36 PRO HA 1 56 GLN HE22 . . 5.500 3.033 2.031 4.794 . 0 0 "[ . 1 . 2]" 1
578 1 36 PRO HA 1 61 HIS HE1 . . 3.800 2.642 2.004 3.515 . 0 0 "[ . 1 . 2]" 1
579 1 36 PRO HB2 1 37 GLY H . . 3.880 3.244 2.704 3.818 . 0 0 "[ . 1 . 2]" 1
580 1 36 PRO HB2 1 81 ASP H . . 5.500 4.946 4.396 5.368 . 0 0 "[ . 1 . 2]" 1
581 1 36 PRO HB3 1 37 GLY H . . 4.230 3.823 3.502 4.203 . 0 0 "[ . 1 . 2]" 1
582 1 36 PRO HD2 1 81 ASP QB . . 4.650 4.225 3.664 4.585 . 0 0 "[ . 1 . 2]" 1
583 1 36 PRO QG 1 81 ASP QB . . 3.810 2.864 2.022 3.368 . 0 0 "[ . 1 . 2]" 1
584 1 37 GLY H 1 38 LYS H . . 4.810 4.434 4.381 4.507 . 0 0 "[ . 1 . 2]" 1
585 1 37 GLY H 1 61 HIS HE1 . . 3.800 2.167 1.901 2.622 . 0 0 "[ . 1 . 2]" 1
586 1 37 GLY H 1 78 PHE QE . . 4.580 3.673 3.164 4.114 . 0 0 "[ . 1 . 2]" 1
587 1 37 GLY H 1 78 PHE HZ . . 4.850 3.905 3.279 4.334 . 0 0 "[ . 1 . 2]" 1
588 1 37 GLY H 1 80 PRO HA . . 4.740 4.617 4.462 4.739 . 0 0 "[ . 1 . 2]" 1
589 1 37 GLY HA2 1 38 LYS H . . 3.170 2.469 2.285 2.623 . 0 0 "[ . 1 . 2]" 1
590 1 37 GLY HA2 1 78 PHE QE . . 4.330 3.987 3.646 4.324 . 0 0 "[ . 1 . 2]" 1
591 1 37 GLY HA2 1 78 PHE HZ . . 4.820 3.911 3.654 4.283 . 0 0 "[ . 1 . 2]" 1
592 1 37 GLY HA2 1 80 PRO HA . . 3.790 2.383 2.046 2.897 . 0 0 "[ . 1 . 2]" 1
593 1 37 GLY HA2 1 81 ASP H . . 3.450 2.427 2.071 2.646 . 0 0 "[ . 1 . 2]" 1
594 1 37 GLY HA2 1 81 ASP QB . . 4.740 3.132 2.553 3.822 . 0 0 "[ . 1 . 2]" 1
595 1 37 GLY HA3 1 38 LYS H . . 3.200 2.666 2.501 2.887 . 0 0 "[ . 1 . 2]" 1
596 1 37 GLY HA3 1 78 PHE QE . . 3.890 2.497 2.072 3.064 . 0 0 "[ . 1 . 2]" 1
597 1 37 GLY HA3 1 78 PHE HZ . . 4.310 2.303 2.029 2.757 . 0 0 "[ . 1 . 2]" 1
598 1 37 GLY HA3 1 80 PRO HA . . 3.460 2.486 2.202 2.837 . 0 0 "[ . 1 . 2]" 1
599 1 37 GLY HA3 1 80 PRO QB . . 4.910 3.933 3.513 4.322 . 0 0 "[ . 1 . 2]" 1
600 1 37 GLY HA3 1 81 ASP H . . 3.910 3.642 3.240 3.913 0.003 5 0 "[ . 1 . 2]" 1
601 1 38 LYS H 1 38 LYS QB . . 3.520 2.627 2.408 3.044 . 0 0 "[ . 1 . 2]" 1
602 1 38 LYS H 1 38 LYS HG2 . . 5.100 4.030 1.966 4.955 . 0 0 "[ . 1 . 2]" 1
603 1 38 LYS H 1 38 LYS HG3 . . 5.430 4.113 2.909 5.038 . 0 0 "[ . 1 . 2]" 1
604 1 38 LYS H 1 39 TRP H . . 4.620 4.430 4.305 4.497 . 0 0 "[ . 1 . 2]" 1
605 1 38 LYS H 1 78 PHE QE . . 4.180 3.628 2.946 4.172 . 0 0 "[ . 1 . 2]" 1
606 1 38 LYS H 1 78 PHE HZ . . 4.910 4.483 4.049 4.806 . 0 0 "[ . 1 . 2]" 1
607 1 38 LYS H 1 79 ALA H . . 3.670 3.354 2.931 3.664 . 0 0 "[ . 1 . 2]" 1
608 1 38 LYS H 1 79 ALA MB . . 4.210 3.972 3.508 4.184 . 0 0 "[ . 1 . 2]" 1
609 1 38 LYS H 1 80 PRO HA . . 4.080 3.408 2.888 3.707 . 0 0 "[ . 1 . 2]" 1
610 1 38 LYS H 1 81 ASP H . . 4.450 4.325 4.144 4.448 . 0 0 "[ . 1 . 2]" 1
611 1 38 LYS HA 1 38 LYS HG2 . . 4.240 3.062 2.371 3.806 . 0 0 "[ . 1 . 2]" 1
612 1 38 LYS HA 1 39 TRP H . . 2.910 2.271 2.177 2.372 . 0 0 "[ . 1 . 2]" 1
613 1 38 LYS HA 1 39 TRP HD1 . . 4.240 2.717 2.501 2.934 . 0 0 "[ . 1 . 2]" 1
614 1 38 LYS QB 1 39 TRP H . . 4.070 3.073 2.472 3.676 . 0 0 "[ . 1 . 2]" 1
615 1 38 LYS QB 1 79 ALA MB . . 4.480 4.136 3.591 4.290 . 0 0 "[ . 1 . 2]" 1
616 1 38 LYS QE 1 38 LYS HG2 . . 3.890 2.725 2.158 3.457 . 0 0 "[ . 1 . 2]" 1
617 1 38 LYS HG2 1 39 TRP H . . 4.850 3.653 2.175 4.944 0.094 13 0 "[ . 1 . 2]" 1
618 1 38 LYS HG3 1 39 TRP H . . 5.220 3.718 2.179 5.061 . 0 0 "[ . 1 . 2]" 1
619 1 39 TRP H 1 39 TRP HB2 . . 3.240 2.556 2.485 2.598 . 0 0 "[ . 1 . 2]" 1
620 1 39 TRP H 1 39 TRP HD1 . . 3.570 2.094 1.909 2.464 . 0 0 "[ . 1 . 2]" 1
621 1 39 TRP H 1 40 THR MG . . 4.970 4.339 4.093 4.837 . 0 0 "[ . 1 . 2]" 1
622 1 39 TRP H 1 46 VAL H . . 5.310 4.975 4.558 5.207 . 0 0 "[ . 1 . 2]" 1
623 1 39 TRP H 1 46 VAL HB . . 4.920 4.150 3.792 4.491 . 0 0 "[ . 1 . 2]" 1
624 1 39 TRP H 1 46 VAL MG2 . . 5.500 4.436 4.000 4.708 . 0 0 "[ . 1 . 2]" 1
625 1 39 TRP H 1 54 VAL MG1 . . 5.500 4.434 3.956 4.941 . 0 0 "[ . 1 . 2]" 1
626 1 39 TRP H 1 79 ALA H . . 5.500 5.017 4.842 5.190 . 0 0 "[ . 1 . 2]" 1
627 1 39 TRP HA 1 39 TRP HD1 . . 4.430 3.691 3.467 3.859 . 0 0 "[ . 1 . 2]" 1
628 1 39 TRP HA 1 39 TRP HE3 . . 4.360 3.982 3.755 4.210 . 0 0 "[ . 1 . 2]" 1
629 1 39 TRP HA 1 40 THR H . . 2.880 2.354 2.248 2.438 . 0 0 "[ . 1 . 2]" 1
630 1 39 TRP HA 1 40 THR MG . . 4.410 3.689 3.479 4.172 . 0 0 "[ . 1 . 2]" 1
631 1 39 TRP HA 1 46 VAL MG2 . . 5.300 4.289 3.969 4.657 . 0 0 "[ . 1 . 2]" 1
632 1 39 TRP HA 1 77 VAL H . . 5.030 4.799 4.460 5.026 . 0 0 "[ . 1 . 2]" 1
633 1 39 TRP HA 1 78 PHE HA . . 3.630 2.258 2.020 2.578 . 0 0 "[ . 1 . 2]" 1
634 1 39 TRP HA 1 78 PHE HB2 . . 4.820 3.731 3.134 4.513 . 0 0 "[ . 1 . 2]" 1
635 1 39 TRP HA 1 79 ALA H . . 4.050 3.301 2.953 3.670 . 0 0 "[ . 1 . 2]" 1
636 1 39 TRP HB2 1 39 TRP HD1 . . 3.770 2.942 2.851 3.041 . 0 0 "[ . 1 . 2]" 1
637 1 39 TRP HB2 1 46 VAL H . . 4.740 4.583 4.421 4.726 . 0 0 "[ . 1 . 2]" 1
638 1 39 TRP HB2 1 46 VAL HB . . 4.080 3.025 2.857 3.240 . 0 0 "[ . 1 . 2]" 1
639 1 39 TRP HB2 1 46 VAL MG1 . . 3.840 3.652 3.403 3.824 . 0 0 "[ . 1 . 2]" 1
640 1 39 TRP HB2 1 46 VAL MG2 . . 3.390 2.867 2.545 3.207 . 0 0 "[ . 1 . 2]" 1
641 1 39 TRP HB2 1 54 VAL MG2 . . 4.270 3.896 3.419 4.242 . 0 0 "[ . 1 . 2]" 1
642 1 39 TRP HB2 1 63 LEU MD1 . . 4.290 2.906 2.581 3.280 . 0 0 "[ . 1 . 2]" 1
643 1 39 TRP HB3 1 39 TRP HE3 . . 3.580 2.406 2.399 2.420 . 0 0 "[ . 1 . 2]" 1
644 1 39 TRP HB3 1 40 THR H . . 3.680 2.577 2.371 2.858 . 0 0 "[ . 1 . 2]" 1
645 1 39 TRP HB3 1 46 VAL HB . . 4.520 4.263 4.036 4.506 . 0 0 "[ . 1 . 2]" 1
646 1 39 TRP HB3 1 46 VAL MG2 . . 3.690 3.055 2.592 3.329 . 0 0 "[ . 1 . 2]" 1
647 1 39 TRP HB3 1 63 LEU MD1 . . 4.210 3.153 2.765 3.516 . 0 0 "[ . 1 . 2]" 1
648 1 39 TRP HD1 1 54 VAL HB . . 5.220 4.996 4.436 5.218 . 0 0 "[ . 1 . 2]" 1
649 1 39 TRP HD1 1 54 VAL MG1 . . 3.390 2.821 2.246 3.308 . 0 0 "[ . 1 . 2]" 1
650 1 39 TRP HD1 1 54 VAL MG2 . . 4.160 3.057 2.273 3.538 . 0 0 "[ . 1 . 2]" 1
651 1 39 TRP HD1 1 78 PHE QE . . 5.000 4.180 3.682 4.755 . 0 0 "[ . 1 . 2]" 1
652 1 39 TRP HE1 1 54 VAL MG1 . . 4.040 2.167 1.830 2.603 . 0 0 "[ . 1 . 2]" 1
653 1 39 TRP HE1 1 78 PHE QE . . 4.750 3.494 2.886 4.083 . 0 0 "[ . 1 . 2]" 1
654 1 39 TRP HE3 1 40 THR H . . 4.350 4.119 3.909 4.314 . 0 0 "[ . 1 . 2]" 1
655 1 39 TRP HE3 1 63 LEU MD1 . . 3.830 2.989 2.584 3.352 . 0 0 "[ . 1 . 2]" 1
656 1 39 TRP HE3 1 76 TYR HB3 . . 4.460 3.262 2.910 3.548 . 0 0 "[ . 1 . 2]" 1
657 1 39 TRP HE3 1 77 VAL H . . 4.730 4.355 3.980 4.683 . 0 0 "[ . 1 . 2]" 1
658 1 39 TRP HH2 1 62 LYS HA . . 4.680 3.970 3.454 4.445 . 0 0 "[ . 1 . 2]" 1
659 1 39 TRP HH2 1 63 LEU H . . 4.840 3.908 3.318 4.271 . 0 0 "[ . 1 . 2]" 1
660 1 39 TRP HH2 1 63 LEU HB3 . . 5.170 3.503 2.795 3.890 . 0 0 "[ . 1 . 2]" 1
661 1 39 TRP HZ2 1 61 HIS HB2 . . 4.070 3.103 2.606 3.628 . 0 0 "[ . 1 . 2]" 1
662 1 39 TRP HZ2 1 61 HIS HB3 . . 3.680 2.251 2.001 2.948 . 0 0 "[ . 1 . 2]" 1
663 1 39 TRP HZ2 1 62 LYS H . . 4.540 3.907 3.129 4.314 . 0 0 "[ . 1 . 2]" 1
664 1 39 TRP HZ2 1 62 LYS HA . . 4.000 3.699 3.435 3.952 . 0 0 "[ . 1 . 2]" 1
665 1 39 TRP HZ2 1 63 LEU H . . 4.310 4.123 3.778 4.310 . 0 0 "[ . 1 . 2]" 1
666 1 39 TRP HZ2 1 63 LEU HB3 . . 5.290 3.948 3.292 4.288 . 0 0 "[ . 1 . 2]" 1
667 1 39 TRP HZ2 1 63 LEU MD1 . . 5.500 3.895 3.539 4.224 . 0 0 "[ . 1 . 2]" 1
668 1 40 THR H 1 40 THR MG . . 3.840 3.233 3.070 3.560 . 0 0 "[ . 1 . 2]" 1
669 1 40 THR H 1 46 VAL H . . 5.160 4.745 4.552 4.900 . 0 0 "[ . 1 . 2]" 1
670 1 40 THR H 1 46 VAL MG2 . . 4.170 3.239 2.946 3.514 . 0 0 "[ . 1 . 2]" 1
671 1 40 THR H 1 76 TYR HA . . 4.800 4.643 4.435 4.798 . 0 0 "[ . 1 . 2]" 1
672 1 40 THR H 1 77 VAL H . . 3.530 2.925 2.618 3.121 . 0 0 "[ . 1 . 2]" 1
673 1 40 THR H 1 77 VAL HB . . 4.110 3.868 3.543 4.108 . 0 0 "[ . 1 . 2]" 1
674 1 40 THR H 1 77 VAL MG1 . . 4.860 4.348 4.025 4.718 . 0 0 "[ . 1 . 2]" 1
675 1 40 THR H 1 78 PHE HA . . 4.190 3.398 3.250 3.767 . 0 0 "[ . 1 . 2]" 1
676 1 40 THR H 1 79 ALA H . . 5.470 4.867 4.463 5.356 . 0 0 "[ . 1 . 2]" 1
677 1 40 THR HA 1 40 THR MG . . 3.470 2.279 2.060 2.386 . 0 0 "[ . 1 . 2]" 1
678 1 40 THR HA 1 41 LYS H . . 2.970 2.178 2.162 2.197 . 0 0 "[ . 1 . 2]" 1
679 1 40 THR HA 1 45 PRO HA . . 3.920 3.074 3.001 3.198 . 0 0 "[ . 1 . 2]" 1
680 1 40 THR HA 1 46 VAL H . . 3.480 2.331 2.086 2.543 . 0 0 "[ . 1 . 2]" 1
681 1 40 THR HA 1 46 VAL MG1 . . 4.960 4.744 4.568 4.871 . 0 0 "[ . 1 . 2]" 1
682 1 40 THR HA 1 46 VAL MG2 . . 3.660 2.091 1.997 2.312 . 0 0 "[ . 1 . 2]" 1
683 1 40 THR HB 1 41 LYS H . . 3.390 3.102 3.001 3.192 . 0 0 "[ . 1 . 2]" 1
684 1 40 THR HB 1 43 GLY H . . 4.060 3.929 3.697 4.040 . 0 0 "[ . 1 . 2]" 1
685 1 40 THR HB 1 43 GLY HA2 . . 4.480 3.528 3.358 3.666 . 0 0 "[ . 1 . 2]" 1
686 1 40 THR HB 1 44 LEU H . . 3.580 2.635 2.375 3.045 . 0 0 "[ . 1 . 2]" 1
687 1 40 THR HB 1 45 PRO HA . . 4.690 3.995 3.792 4.410 . 0 0 "[ . 1 . 2]" 1
688 1 40 THR HB 1 46 VAL H . . 4.790 4.465 4.102 4.746 . 0 0 "[ . 1 . 2]" 1
689 1 40 THR MG 1 43 GLY H . . 5.500 5.303 4.979 5.417 . 0 0 "[ . 1 . 2]" 1
690 1 40 THR MG 1 45 PRO HA . . 3.260 2.132 1.969 2.325 . 0 0 "[ . 1 . 2]" 1
691 1 40 THR MG 1 45 PRO HB3 . . 4.500 3.498 3.293 3.657 . 0 0 "[ . 1 . 2]" 1
692 1 40 THR MG 1 45 PRO HG3 . . 4.930 5.027 4.846 5.201 0.271 7 0 "[ . 1 . 2]" 1
693 1 41 LYS H 1 41 LYS HB2 . . 3.860 2.887 2.321 3.200 . 0 0 "[ . 1 . 2]" 1
694 1 41 LYS H 1 41 LYS HB3 . . 3.480 2.676 2.400 3.526 0.046 13 0 "[ . 1 . 2]" 1
695 1 41 LYS H 1 41 LYS HG2 . . 4.830 4.420 4.183 4.680 . 0 0 "[ . 1 . 2]" 1
696 1 41 LYS H 1 43 GLY H . . 4.870 4.370 4.186 4.530 . 0 0 "[ . 1 . 2]" 1
697 1 41 LYS H 1 44 LEU H . . 3.570 2.864 2.760 2.979 . 0 0 "[ . 1 . 2]" 1
698 1 41 LYS H 1 44 LEU HB2 . . 5.110 4.113 3.360 5.171 0.061 18 0 "[ . 1 . 2]" 1
699 1 41 LYS H 1 45 PRO HA . . 4.370 4.279 4.177 4.371 0.001 13 0 "[ . 1 . 2]" 1
700 1 41 LYS H 1 46 VAL H . . 4.470 3.422 3.121 3.791 . 0 0 "[ . 1 . 2]" 1
701 1 41 LYS H 1 46 VAL MG1 . . 4.840 4.727 4.543 4.840 . 0 0 "[ . 1 . 2]" 1
702 1 41 LYS H 1 46 VAL MG2 . . 3.430 2.199 1.979 2.400 . 0 0 "[ . 1 . 2]" 1
703 1 41 LYS HA 1 41 LYS HG2 . . 4.200 2.921 2.191 3.879 . 0 0 "[ . 1 . 2]" 1
704 1 41 LYS HA 1 41 LYS HG3 . . 4.000 2.876 2.439 3.504 . 0 0 "[ . 1 . 2]" 1
705 1 41 LYS HA 1 42 ASN H . . 3.140 2.226 2.218 2.241 . 0 0 "[ . 1 . 2]" 1
706 1 41 LYS HA 1 43 GLY H . . 4.690 3.624 3.497 3.756 . 0 0 "[ . 1 . 2]" 1
707 1 41 LYS HA 1 76 TYR HA . . 3.590 2.736 2.276 3.564 . 0 0 "[ . 1 . 2]" 1
708 1 41 LYS HA 1 77 VAL H . . 4.150 3.493 3.239 3.895 . 0 0 "[ . 1 . 2]" 1
709 1 41 LYS HB2 1 41 LYS QD . . 3.880 2.661 2.113 3.431 . 0 0 "[ . 1 . 2]" 1
710 1 41 LYS HB2 1 42 ASN H . . 4.710 4.076 3.866 4.256 . 0 0 "[ . 1 . 2]" 1
711 1 41 LYS HB2 1 46 VAL MG2 . . 4.010 2.375 2.091 2.817 . 0 0 "[ . 1 . 2]" 1
712 1 41 LYS HB3 1 42 ASN H . . 4.780 3.868 3.022 4.143 . 0 0 "[ . 1 . 2]" 1
713 1 41 LYS HB3 1 46 VAL MG2 . . 4.150 2.897 2.266 3.795 . 0 0 "[ . 1 . 2]" 1
714 1 41 LYS QE 1 41 LYS HG2 . . 3.820 2.671 2.111 3.333 . 0 0 "[ . 1 . 2]" 1
715 1 41 LYS QE 1 41 LYS HG3 . . 3.920 2.541 2.088 3.280 . 0 0 "[ . 1 . 2]" 1
716 1 41 LYS QE 1 42 ASN QD . . 4.380 2.596 2.035 3.902 . 0 0 "[ . 1 . 2]" 1
717 1 41 LYS QE 1 72 ASP HA . . 4.260 2.790 2.014 3.613 . 0 0 "[ . 1 . 2]" 1
718 1 41 LYS QE 1 74 GLY HA2 . . 5.500 5.017 3.851 5.489 . 0 0 "[ . 1 . 2]" 1
719 1 41 LYS QE 1 74 GLY HA3 . . 4.550 3.514 2.185 4.013 . 0 0 "[ . 1 . 2]" 1
720 1 41 LYS QE 1 75 ASP H . . 4.300 3.850 2.656 4.294 . 0 0 "[ . 1 . 2]" 1
721 1 41 LYS QE 1 76 TYR HH . . 4.320 3.588 2.046 4.305 . 0 0 "[ . 1 . 2]" 1
722 1 41 LYS HG2 1 42 ASN H . . 4.190 2.858 2.222 4.092 . 0 0 "[ . 1 . 2]" 1
723 1 41 LYS HG2 1 42 ASN QD . . 4.990 3.305 2.010 4.763 . 0 0 "[ . 1 . 2]" 1
724 1 41 LYS HG3 1 42 ASN H . . 4.310 3.217 2.179 4.313 0.003 13 0 "[ . 1 . 2]" 1
725 1 42 ASN H 1 43 GLY H . . 3.750 2.965 2.850 3.050 . 0 0 "[ . 1 . 2]" 1
726 1 42 ASN H 1 75 ASP H . . 4.110 3.219 2.837 3.719 . 0 0 "[ . 1 . 2]" 1
727 1 42 ASN H 1 75 ASP HB2 . . 4.580 3.994 2.826 4.969 0.389 4 0 "[ . 1 . 2]" 1
728 1 42 ASN H 1 75 ASP HB3 . . 4.970 4.244 2.975 4.962 . 0 0 "[ . 1 . 2]" 1
729 1 42 ASN HA 1 43 GLY H . . 3.560 2.814 2.745 2.881 . 0 0 "[ . 1 . 2]" 1
730 1 42 ASN HA 1 44 LEU H . . 5.380 4.843 4.630 5.045 . 0 0 "[ . 1 . 2]" 1
731 1 42 ASN HA 1 75 ASP H . . 4.540 4.177 3.731 4.543 0.003 20 0 "[ . 1 . 2]" 1
732 1 42 ASN HA 1 75 ASP HB2 . . 4.480 3.887 2.954 5.460 0.980 4 1 "[ +. 1 . 2]" 1
733 1 42 ASN HB2 1 44 LEU H . . 4.860 4.640 4.218 5.039 0.179 13 0 "[ . 1 . 2]" 1
734 1 42 ASN QD 1 74 GLY HA2 . . 4.520 3.801 2.830 4.423 . 0 0 "[ . 1 . 2]" 1
735 1 42 ASN QD 1 74 GLY HA3 . . 4.350 2.669 2.001 3.163 . 0 0 "[ . 1 . 2]" 1
736 1 42 ASN QD 1 75 ASP H . . 4.680 3.168 1.917 3.969 . 0 0 "[ . 1 . 2]" 1
737 1 43 GLY H 1 44 LEU H . . 3.600 2.667 2.574 2.727 . 0 0 "[ . 1 . 2]" 1
738 1 44 LEU H 1 44 LEU HB2 . . 3.220 3.228 2.714 3.997 0.777 18 7 "[* . * *1 -*. + *]" 1
739 1 44 LEU H 1 44 LEU HB3 . . 4.120 3.598 2.927 3.915 . 0 0 "[ . 1 . 2]" 1
740 1 44 LEU H 1 44 LEU QD . . 4.220 3.622 3.453 3.743 . 0 0 "[ . 1 . 2]" 1
741 1 44 LEU H 1 44 LEU HG . . 3.540 3.126 2.784 3.433 . 0 0 "[ . 1 . 2]" 1
742 1 44 LEU H 1 45 PRO HA . . 5.500 4.955 4.863 5.047 . 0 0 "[ . 1 . 2]" 1
743 1 44 LEU H 1 45 PRO HD3 . . 5.130 4.821 4.725 4.889 . 0 0 "[ . 1 . 2]" 1
744 1 44 LEU HA 1 44 LEU QD . . 3.230 2.514 1.991 3.156 . 0 0 "[ . 1 . 2]" 1
745 1 44 LEU HA 1 44 LEU HG . . 4.050 3.256 2.932 3.772 . 0 0 "[ . 1 . 2]" 1
746 1 44 LEU HA 1 45 PRO HD2 . . 3.400 2.350 2.251 2.415 . 0 0 "[ . 1 . 2]" 1
747 1 44 LEU HA 1 45 PRO HD3 . . 3.180 2.283 2.259 2.306 . 0 0 "[ . 1 . 2]" 1
748 1 44 LEU HB2 1 45 PRO HD2 . . 4.270 3.110 2.001 3.685 . 0 0 "[ . 1 . 2]" 1
749 1 44 LEU HB2 1 45 PRO HD3 . . 4.730 4.274 3.358 4.727 . 0 0 "[ . 1 . 2]" 1
750 1 44 LEU HB3 1 45 PRO HD2 . . 3.620 2.646 2.002 3.820 0.200 13 0 "[ . 1 . 2]" 1
751 1 44 LEU HB3 1 45 PRO HD3 . . 3.950 3.903 3.444 4.710 0.760 13 7 "[* . * -1 +*. * *]" 1
752 1 44 LEU QD 1 45 PRO HD2 . . 3.890 2.406 2.056 2.675 . 0 0 "[ . 1 . 2]" 1
753 1 44 LEU QD 1 45 PRO HD3 . . 3.900 3.309 3.028 3.598 . 0 0 "[ . 1 . 2]" 1
754 1 45 PRO HA 1 46 VAL H . . 2.850 2.189 2.156 2.263 . 0 0 "[ . 1 . 2]" 1
755 1 45 PRO HB3 1 46 VAL H . . 4.230 4.261 4.150 4.410 0.180 7 0 "[ . 1 . 2]" 1
756 1 46 VAL H 1 46 VAL HB . . 3.410 2.563 2.449 2.700 . 0 0 "[ . 1 . 2]" 1
757 1 46 VAL H 1 46 VAL MG1 . . 3.990 3.764 3.753 3.771 . 0 0 "[ . 1 . 2]" 1
758 1 46 VAL H 1 46 VAL MG2 . . 3.080 2.146 1.888 2.371 . 0 0 "[ . 1 . 2]" 1
759 1 46 VAL H 1 47 GLN H . . 4.710 4.558 4.467 4.613 . 0 0 "[ . 1 . 2]" 1
760 1 46 VAL HA 1 46 VAL MG1 . . 3.530 2.391 2.294 2.479 . 0 0 "[ . 1 . 2]" 1
761 1 46 VAL HA 1 46 VAL MG2 . . 3.700 2.361 2.239 2.463 . 0 0 "[ . 1 . 2]" 1
762 1 46 VAL HA 1 47 GLN H . . 2.840 2.169 2.140 2.211 . 0 0 "[ . 1 . 2]" 1
763 1 46 VAL HB 1 47 GLN H . . 4.310 4.128 3.977 4.310 . 0 0 "[ . 1 . 2]" 1
764 1 46 VAL HB 1 52 LEU MD1 . . 4.260 4.058 3.780 4.245 . 0 0 "[ . 1 . 2]" 1
765 1 46 VAL HB 1 52 LEU MD2 . . 4.270 4.052 3.714 4.258 . 0 0 "[ . 1 . 2]" 1
766 1 46 VAL MG1 1 47 GLN H . . 3.530 2.411 1.996 2.825 . 0 0 "[ . 1 . 2]" 1
767 1 46 VAL MG1 1 48 GLU H . . 4.780 4.088 3.314 4.645 . 0 0 "[ . 1 . 2]" 1
768 1 46 VAL MG1 1 48 GLU HA . . 4.860 3.698 3.250 4.007 . 0 0 "[ . 1 . 2]" 1
769 1 46 VAL MG1 1 48 GLU HG2 . . 5.500 4.521 3.717 5.308 . 0 0 "[ . 1 . 2]" 1
770 1 46 VAL MG1 1 48 GLU HG3 . . 4.890 3.832 2.940 4.358 . 0 0 "[ . 1 . 2]" 1
771 1 46 VAL MG2 1 47 GLN H . . 4.270 3.998 3.827 4.133 . 0 0 "[ . 1 . 2]" 1
772 1 46 VAL MG2 1 63 LEU MD1 . . 4.230 3.824 3.550 4.200 . 0 0 "[ . 1 . 2]" 1
773 1 46 VAL MG2 1 77 VAL H . . 4.730 4.570 4.228 4.726 . 0 0 "[ . 1 . 2]" 1
774 1 47 GLN H 1 47 GLN HB2 . . 3.250 2.890 2.313 3.650 0.400 1 0 "[ . 1 . 2]" 1
775 1 47 GLN H 1 47 GLN HB3 . . 4.110 3.015 2.409 3.618 . 0 0 "[ . 1 . 2]" 1
776 1 47 GLN H 1 47 GLN QG . . 4.020 2.948 1.909 4.020 . 3 0 "[ . 1 . 2]" 1
777 1 47 GLN HA 1 47 GLN QG . . 3.830 2.838 2.193 3.502 . 0 0 "[ . 1 . 2]" 1
778 1 47 GLN HA 1 48 GLU H . . 2.840 2.171 2.139 2.279 . 0 0 "[ . 1 . 2]" 1
779 1 47 GLN HB3 1 48 GLU H . . 4.440 4.034 2.880 4.435 . 0 0 "[ . 1 . 2]" 1
780 1 47 GLN QG 1 48 GLU H . . 4.880 3.897 2.594 4.741 . 0 0 "[ . 1 . 2]" 1
781 1 48 GLU H 1 48 GLU HB2 . . 3.210 2.341 2.189 2.516 . 0 0 "[ . 1 . 2]" 1
782 1 48 GLU H 1 48 GLU HB3 . . 4.140 3.566 3.493 3.643 . 0 0 "[ . 1 . 2]" 1
783 1 48 GLU H 1 48 GLU HG2 . . 4.380 3.942 3.432 4.318 . 0 0 "[ . 1 . 2]" 1
784 1 48 GLU H 1 48 GLU HG3 . . 3.450 2.862 2.229 3.391 . 0 0 "[ . 1 . 2]" 1
785 1 48 GLU H 1 49 SER H . . 4.690 4.577 4.356 4.648 . 0 0 "[ . 1 . 2]" 1
786 1 48 GLU H 1 52 LEU MD2 . . 4.800 4.454 3.809 4.798 . 0 0 "[ . 1 . 2]" 1
787 1 48 GLU HA 1 48 GLU HG2 . . 3.740 2.766 2.368 3.554 . 0 0 "[ . 1 . 2]" 1
788 1 48 GLU HA 1 48 GLU HG3 . . 4.120 2.671 2.278 3.239 . 0 0 "[ . 1 . 2]" 1
789 1 48 GLU HA 1 49 SER H . . 2.820 2.239 2.138 2.372 . 0 0 "[ . 1 . 2]" 1
790 1 48 GLU HA 1 52 LEU H . . 5.060 4.675 4.247 4.906 . 0 0 "[ . 1 . 2]" 1
791 1 48 GLU HA 1 52 LEU HB3 . . 4.170 2.465 2.048 2.917 . 0 0 "[ . 1 . 2]" 1
792 1 48 GLU HA 1 52 LEU MD1 . . 5.190 3.465 2.733 4.086 . 0 0 "[ . 1 . 2]" 1
793 1 48 GLU HA 1 52 LEU MD2 . . 3.530 2.478 2.017 2.834 . 0 0 "[ . 1 . 2]" 1
794 1 48 GLU HB2 1 49 SER H . . 4.470 4.101 3.748 4.423 . 0 0 "[ . 1 . 2]" 1
795 1 48 GLU HB3 1 49 SER H . . 3.550 2.959 2.494 3.521 . 0 0 "[ . 1 . 2]" 1
796 1 48 GLU HG2 1 52 LEU MD1 . . 5.500 4.746 3.841 5.377 . 0 0 "[ . 1 . 2]" 1
797 1 48 GLU HG2 1 52 LEU MD2 . . 4.160 2.692 2.015 3.396 . 0 0 "[ . 1 . 2]" 1
798 1 48 GLU HG2 1 53 LYS HA . . 4.660 4.082 3.336 4.635 . 0 0 "[ . 1 . 2]" 1
799 1 48 GLU HG2 1 54 VAL H . . 4.090 3.680 3.108 4.087 . 0 0 "[ . 1 . 2]" 1
800 1 48 GLU HG2 1 54 VAL MG1 . . 5.500 4.721 3.962 5.209 . 0 0 "[ . 1 . 2]" 1
801 1 48 GLU HG2 1 54 VAL MG2 . . 4.150 2.314 1.906 2.713 . 0 0 "[ . 1 . 2]" 1
802 1 48 GLU HG3 1 52 LEU MD1 . . 5.500 4.536 3.449 5.488 . 0 0 "[ . 1 . 2]" 1
803 1 48 GLU HG3 1 52 LEU MD2 . . 4.610 3.007 2.002 3.853 . 0 0 "[ . 1 . 2]" 1
804 1 48 GLU HG3 1 54 VAL MG2 . . 4.410 3.008 2.093 3.609 . 0 0 "[ . 1 . 2]" 1
805 1 49 SER H 1 49 SER HB2 . . 4.200 3.118 2.744 3.933 . 0 0 "[ . 1 . 2]" 1
806 1 49 SER H 1 51 ARG H . . 4.730 4.434 4.081 4.699 . 0 0 "[ . 1 . 2]" 1
807 1 49 SER H 1 52 LEU H . . 3.460 3.003 2.683 3.291 . 0 0 "[ . 1 . 2]" 1
808 1 49 SER H 1 52 LEU HB2 . . 4.240 3.631 3.237 4.142 . 0 0 "[ . 1 . 2]" 1
809 1 49 SER H 1 52 LEU HB3 . . 3.800 2.234 1.920 2.530 . 0 0 "[ . 1 . 2]" 1
810 1 49 SER H 1 52 LEU MD1 . . 4.770 4.282 3.917 4.631 . 0 0 "[ . 1 . 2]" 1
811 1 49 SER H 1 52 LEU MD2 . . 4.090 3.329 2.994 3.655 . 0 0 "[ . 1 . 2]" 1
812 1 49 SER HB2 1 51 ARG H . . 4.820 3.574 2.865 4.509 . 0 0 "[ . 1 . 2]" 1
813 1 49 SER HB2 1 52 LEU H . . 4.850 3.470 2.676 4.546 . 0 0 "[ . 1 . 2]" 1
814 1 49 SER HB3 1 51 ARG H . . 4.490 3.028 2.247 4.253 . 0 0 "[ . 1 . 2]" 1
815 1 50 ASP HB2 1 51 ARG H . . 4.730 3.191 2.445 4.061 . 0 0 "[ . 1 . 2]" 1
816 1 50 ASP HB3 1 51 ARG H . . 5.140 3.547 2.415 4.237 . 0 0 "[ . 1 . 2]" 1
817 1 51 ARG H 1 51 ARG HB2 . . 3.960 2.895 2.213 3.661 . 0 0 "[ . 1 . 2]" 1
818 1 51 ARG H 1 51 ARG HB3 . . 4.000 3.242 2.599 3.623 . 0 0 "[ . 1 . 2]" 1
819 1 51 ARG H 1 51 ARG HG2 . . 3.930 2.868 1.931 4.136 0.206 12 0 "[ . 1 . 2]" 1
820 1 51 ARG H 1 51 ARG HG3 . . 4.150 3.074 2.142 3.720 . 0 0 "[ . 1 . 2]" 1
821 1 51 ARG H 1 52 LEU H . . 3.100 2.564 2.122 2.901 . 0 0 "[ . 1 . 2]" 1
822 1 51 ARG HA 1 66 ALA H . . 4.350 3.847 2.967 4.319 . 0 0 "[ . 1 . 2]" 1
823 1 51 ARG HA 1 66 ALA MB . . 3.970 2.509 2.008 2.959 . 0 0 "[ . 1 . 2]" 1
824 1 51 ARG HB2 1 52 LEU H . . 4.150 2.929 2.018 4.162 0.012 10 0 "[ . 1 . 2]" 1
825 1 51 ARG HB2 1 66 ALA H . . 4.490 3.976 2.611 4.953 0.463 9 0 "[ . 1 . 2]" 1
826 1 51 ARG HB3 1 51 ARG HE . . 4.840 3.742 2.013 5.188 0.348 4 0 "[ . 1 . 2]" 1
827 1 51 ARG HB3 1 52 LEU H . . 5.090 3.581 3.025 4.332 . 0 0 "[ . 1 . 2]" 1
828 1 51 ARG HB3 1 66 ALA H . . 4.960 3.712 2.482 4.879 . 0 0 "[ . 1 . 2]" 1
829 1 51 ARG HG2 1 52 LEU H . . 5.120 3.902 2.061 5.122 0.002 12 0 "[ . 1 . 2]" 1
830 1 51 ARG HG3 1 52 LEU H . . 5.400 3.712 2.053 4.854 . 0 0 "[ . 1 . 2]" 1
831 1 52 LEU H 1 52 LEU HB2 . . 3.540 2.523 2.215 2.889 . 0 0 "[ . 1 . 2]" 1
832 1 52 LEU H 1 52 LEU HB3 . . 3.450 2.744 2.562 2.897 . 0 0 "[ . 1 . 2]" 1
833 1 52 LEU H 1 52 LEU MD1 . . 4.530 4.257 3.986 4.524 . 0 0 "[ . 1 . 2]" 1
834 1 52 LEU H 1 52 LEU MD2 . . 4.560 4.218 4.119 4.333 . 0 0 "[ . 1 . 2]" 1
835 1 52 LEU H 1 53 LYS H . . 4.480 4.258 3.867 4.442 . 0 0 "[ . 1 . 2]" 1
836 1 52 LEU HA 1 52 LEU MD1 . . 4.470 3.627 3.577 3.695 . 0 0 "[ . 1 . 2]" 1
837 1 52 LEU HA 1 52 LEU MD2 . . 4.080 3.086 2.852 3.241 . 0 0 "[ . 1 . 2]" 1
838 1 52 LEU HA 1 52 LEU HG . . 3.900 2.351 2.282 2.428 . 0 0 "[ . 1 . 2]" 1
839 1 52 LEU HA 1 53 LYS H . . 2.810 2.163 2.138 2.240 . 0 0 "[ . 1 . 2]" 1
840 1 52 LEU HA 1 65 ILE MD . . 5.500 5.030 3.949 5.308 . 0 0 "[ . 1 . 2]" 1
841 1 52 LEU HA 1 65 ILE MG . . 4.380 3.604 2.531 4.222 . 0 0 "[ . 1 . 2]" 1
842 1 52 LEU HA 1 66 ALA H . . 4.180 3.865 3.157 4.166 . 0 0 "[ . 1 . 2]" 1
843 1 52 LEU HB2 1 52 LEU MD1 . . 3.620 2.125 1.985 2.260 . 0 0 "[ . 1 . 2]" 1
844 1 52 LEU HB3 1 52 LEU MD1 . . 3.670 2.577 2.490 2.672 . 0 0 "[ . 1 . 2]" 1
845 1 52 LEU HB3 1 52 LEU MD2 . . 3.530 2.132 2.037 2.293 . 0 0 "[ . 1 . 2]" 1
846 1 52 LEU MD2 1 53 LYS H . . 3.980 3.254 2.963 3.677 . 0 0 "[ . 1 . 2]" 1
847 1 52 LEU MD2 1 53 LYS HA . . 4.430 3.459 3.130 3.944 . 0 0 "[ . 1 . 2]" 1
848 1 52 LEU MD2 1 54 VAL H . . 4.600 3.805 3.413 4.177 . 0 0 "[ . 1 . 2]" 1
849 1 52 LEU HG 1 53 LYS H . . 4.460 3.639 3.199 4.049 . 0 0 "[ . 1 . 2]" 1
850 1 52 LEU HG 1 63 LEU MD1 . . 4.400 3.852 3.236 4.333 . 0 0 "[ . 1 . 2]" 1
851 1 52 LEU HG 1 63 LEU MD2 . . 4.270 2.921 2.162 3.886 . 0 0 "[ . 1 . 2]" 1
852 1 52 LEU HG 1 65 ILE HG13 . . 4.110 4.104 3.553 4.524 0.414 5 0 "[ . 1 . 2]" 1
853 1 53 LYS H 1 53 LYS QB . . 3.420 2.548 2.354 3.117 . 0 0 "[ . 1 . 2]" 1
854 1 53 LYS H 1 53 LYS QG . . 4.190 3.846 2.165 4.198 0.008 2 0 "[ . 1 . 2]" 1
855 1 53 LYS H 1 54 VAL H . . 4.470 4.386 4.298 4.471 0.001 7 0 "[ . 1 . 2]" 1
856 1 53 LYS H 1 66 ALA H . . 5.500 4.979 4.303 5.492 . 0 0 "[ . 1 . 2]" 1
857 1 53 LYS HA 1 53 LYS HD2 . . 4.020 3.476 2.010 4.914 0.894 5 1 "[ + 1 . 2]" 1
858 1 53 LYS HA 1 54 VAL H . . 2.770 2.168 2.141 2.254 . 0 0 "[ . 1 . 2]" 1
859 1 53 LYS HA 1 55 VAL H . . 5.500 5.464 5.304 5.501 0.001 4 0 "[ . 1 . 2]" 1
860 1 53 LYS QB 1 54 VAL H . . 3.780 3.580 2.772 3.768 . 0 0 "[ . 1 . 2]" 1
861 1 53 LYS QE 1 55 VAL MG2 . . 4.980 3.870 1.966 4.944 . 0 0 "[ . 1 . 2]" 1
862 1 53 LYS QG 1 54 VAL H . . 4.310 2.950 2.317 4.312 0.002 5 0 "[ . 1 . 2]" 1
863 1 53 LYS QG 1 55 VAL H . . 5.340 4.235 3.550 4.779 . 0 0 "[ . 1 . 2]" 1
864 1 54 VAL H 1 54 VAL HB . . 3.360 2.558 2.460 2.735 . 0 0 "[ . 1 . 2]" 1
865 1 54 VAL H 1 54 VAL MG1 . . 4.180 3.815 3.772 3.892 . 0 0 "[ . 1 . 2]" 1
866 1 54 VAL H 1 54 VAL MG2 . . 3.640 2.632 2.479 2.784 . 0 0 "[ . 1 . 2]" 1
867 1 54 VAL HA 1 54 VAL MG1 . . 3.450 2.379 2.210 2.465 . 0 0 "[ . 1 . 2]" 1
868 1 54 VAL HA 1 54 VAL MG2 . . 3.470 2.349 2.224 2.482 . 0 0 "[ . 1 . 2]" 1
869 1 54 VAL HA 1 55 VAL H . . 2.820 2.189 2.170 2.219 . 0 0 "[ . 1 . 2]" 1
870 1 54 VAL HA 1 63 LEU MD1 . . 4.330 3.772 3.373 4.317 . 0 0 "[ . 1 . 2]" 1
871 1 54 VAL HB 1 55 VAL H . . 4.690 4.430 4.388 4.487 . 0 0 "[ . 1 . 2]" 1
872 1 54 VAL MG1 1 55 VAL H . . 4.040 3.150 2.975 3.356 . 0 0 "[ . 1 . 2]" 1
873 1 54 VAL MG2 1 63 LEU MD1 . . 3.640 2.164 1.912 2.694 . 0 0 "[ . 1 . 2]" 1
874 1 55 VAL H 1 55 VAL HB . . 3.550 2.496 2.410 2.574 . 0 0 "[ . 1 . 2]" 1
875 1 55 VAL H 1 55 VAL MG2 . . 3.590 2.527 2.319 2.901 . 0 0 "[ . 1 . 2]" 1
876 1 55 VAL H 1 62 LYS HB3 . . 5.500 3.729 2.777 4.312 . 0 0 "[ . 1 . 2]" 1
877 1 55 VAL HA 1 55 VAL MG1 . . 3.750 2.352 2.290 2.479 . 0 0 "[ . 1 . 2]" 1
878 1 55 VAL HA 1 55 VAL MG2 . . 3.330 2.341 2.246 2.425 . 0 0 "[ . 1 . 2]" 1
879 1 55 VAL HA 1 56 GLN H . . 2.950 2.208 2.192 2.256 . 0 0 "[ . 1 . 2]" 1
880 1 55 VAL HA 1 62 LYS H . . 5.500 5.174 4.917 5.492 . 0 0 "[ . 1 . 2]" 1
881 1 55 VAL HB 1 62 LYS H . . 4.410 4.123 3.892 4.393 . 0 0 "[ . 1 . 2]" 1
882 1 55 VAL HB 1 62 LYS HB3 . . 3.880 2.622 2.135 3.373 . 0 0 "[ . 1 . 2]" 1
883 1 55 VAL HB 1 62 LYS QE . . 4.400 3.823 3.143 4.148 . 0 0 "[ . 1 . 2]" 1
884 1 55 VAL HB 1 62 LYS QG . . 4.070 3.865 3.246 4.041 . 0 0 "[ . 1 . 2]" 1
885 1 55 VAL MG1 1 56 GLN H . . 3.580 2.056 1.879 2.360 . 0 0 "[ . 1 . 2]" 1
886 1 55 VAL MG1 1 57 LYS H . . 5.060 4.278 4.063 4.466 . 0 0 "[ . 1 . 2]" 1
887 1 55 VAL MG1 1 57 LYS HG2 . . 4.230 3.107 2.314 4.157 . 0 0 "[ . 1 . 2]" 1
888 1 55 VAL MG1 1 57 LYS HG3 . . 3.960 3.290 2.332 3.935 . 0 0 "[ . 1 . 2]" 1
889 1 55 VAL MG1 1 62 LYS H . . 4.840 4.310 3.950 4.626 . 0 0 "[ . 1 . 2]" 1
890 1 55 VAL MG1 1 62 LYS HB3 . . 3.750 3.380 2.742 3.668 . 0 0 "[ . 1 . 2]" 1
891 1 55 VAL MG1 1 62 LYS QE . . 3.800 3.537 2.893 3.780 . 0 0 "[ . 1 . 2]" 1
892 1 56 GLN H 1 56 GLN HB3 . . 3.720 2.726 2.535 2.884 . 0 0 "[ . 1 . 2]" 1
893 1 56 GLN HB3 1 57 LYS H . . 4.990 4.026 3.811 4.290 . 0 0 "[ . 1 . 2]" 1
894 1 56 GLN HE22 1 56 GLN HG2 . . 3.760 3.590 3.438 3.800 0.040 7 0 "[ . 1 . 2]" 1
895 1 56 GLN HE22 1 56 GLN HG3 . . 3.700 3.655 3.474 3.913 0.213 2 0 "[ . 1 . 2]" 1
896 1 56 GLN HG2 1 57 LYS H . . 4.140 2.756 2.409 3.391 . 0 0 "[ . 1 . 2]" 1
897 1 56 GLN HG3 1 57 LYS H . . 3.900 3.338 2.613 4.138 0.238 5 0 "[ . 1 . 2]" 1
898 1 57 LYS H 1 57 LYS HB3 . . 4.060 3.712 3.612 3.827 . 0 0 "[ . 1 . 2]" 1
899 1 57 LYS H 1 60 ILE H . . 4.270 3.263 2.887 3.964 . 0 0 "[ . 1 . 2]" 1
900 1 57 LYS H 1 60 ILE HB . . 4.720 3.271 2.276 4.048 . 0 0 "[ . 1 . 2]" 1
901 1 57 LYS H 1 60 ILE MG . . 5.410 3.931 3.418 4.381 . 0 0 "[ . 1 . 2]" 1
902 1 57 LYS HA 1 57 LYS QD . . 4.500 2.895 2.016 4.245 . 0 0 "[ . 1 . 2]" 1
903 1 57 LYS HB2 1 60 ILE H . . 4.630 4.261 3.857 4.816 0.186 18 0 "[ . 1 . 2]" 1
904 1 57 LYS HB2 1 60 ILE HB . . 4.100 2.520 2.049 3.316 . 0 0 "[ . 1 . 2]" 1
905 1 57 LYS HB2 1 60 ILE MD . . 4.960 3.549 2.560 4.394 . 0 0 "[ . 1 . 2]" 1
906 1 57 LYS HB2 1 60 ILE MG . . 4.920 3.278 2.723 3.823 . 0 0 "[ . 1 . 2]" 1
907 1 57 LYS HB3 1 60 ILE MG . . 4.420 4.436 3.555 4.917 0.497 5 0 "[ . 1 . 2]" 1
908 1 58 GLY QA 1 59 ARG H . . 3.230 2.187 2.109 2.296 . 0 0 "[ . 1 . 2]" 1
909 1 58 GLY QA 1 59 ARG HB2 . . 5.010 4.441 3.885 5.276 0.266 16 0 "[ . 1 . 2]" 1
910 1 58 GLY QA 1 59 ARG HG3 . . 5.390 3.662 3.133 4.721 . 0 0 "[ . 1 . 2]" 1
911 1 58 GLY QA 1 60 ILE H . . 4.660 3.822 3.186 4.206 . 0 0 "[ . 1 . 2]" 1
912 1 59 ARG H 1 59 ARG HB2 . . 3.950 3.116 2.329 3.989 0.039 12 0 "[ . 1 . 2]" 1
913 1 59 ARG H 1 59 ARG HB3 . . 4.170 3.681 2.957 4.063 . 0 0 "[ . 1 . 2]" 1
914 1 59 ARG H 1 59 ARG QD . . 4.770 4.307 3.353 4.762 . 0 0 "[ . 1 . 2]" 1
915 1 59 ARG H 1 59 ARG HG2 . . 4.100 3.395 1.940 4.199 0.099 11 0 "[ . 1 . 2]" 1
916 1 59 ARG H 1 59 ARG HG3 . . 4.220 2.879 2.408 4.104 . 0 0 "[ . 1 . 2]" 1
917 1 59 ARG H 1 60 ILE H . . 3.350 2.774 2.286 3.096 . 0 0 "[ . 1 . 2]" 1
918 1 59 ARG H 1 60 ILE HB . . 5.180 4.598 4.099 5.204 0.024 14 0 "[ . 1 . 2]" 1
919 1 59 ARG HA 1 59 ARG QD . . 4.760 4.068 3.760 4.412 . 0 0 "[ . 1 . 2]" 1
920 1 59 ARG HA 1 59 ARG HG2 . . 3.740 2.843 2.370 3.776 0.036 12 0 "[ . 1 . 2]" 1
921 1 59 ARG HA 1 59 ARG HG3 . . 4.200 3.252 2.651 3.893 . 0 0 "[ . 1 . 2]" 1
922 1 59 ARG HB2 1 59 ARG QD . . 3.720 2.483 2.151 3.042 . 0 0 "[ . 1 . 2]" 1
923 1 59 ARG HB2 1 60 ILE H . . 4.370 4.211 3.397 4.449 0.079 12 0 "[ . 1 . 2]" 1
924 1 59 ARG HB3 1 59 ARG QD . . 3.750 2.406 2.163 2.693 . 0 0 "[ . 1 . 2]" 1
925 1 59 ARG HB3 1 60 ILE H . . 4.630 4.471 4.249 4.648 0.018 9 0 "[ . 1 . 2]" 1
926 1 59 ARG HG2 1 60 ILE H . . 5.180 5.003 3.956 5.518 0.338 20 0 "[ . 1 . 2]" 1
927 1 60 ILE H 1 60 ILE HB . . 2.990 2.871 2.507 3.009 0.019 13 0 "[ . 1 . 2]" 1
928 1 60 ILE H 1 60 ILE MD . . 4.520 4.021 2.206 4.521 0.001 12 0 "[ . 1 . 2]" 1
929 1 60 ILE H 1 60 ILE HG12 . . 4.270 4.183 4.056 4.260 . 0 0 "[ . 1 . 2]" 1
930 1 60 ILE H 1 60 ILE HG13 . . 3.660 3.211 2.901 3.583 . 0 0 "[ . 1 . 2]" 1
931 1 60 ILE H 1 60 ILE MG . . 4.300 3.923 3.790 3.970 . 0 0 "[ . 1 . 2]" 1
932 1 60 ILE H 1 61 HIS H . . 4.900 4.189 3.818 4.537 . 0 0 "[ . 1 . 2]" 1
933 1 60 ILE HA 1 60 ILE MD . . 4.290 3.750 3.202 3.889 . 0 0 "[ . 1 . 2]" 1
934 1 60 ILE HA 1 60 ILE HG12 . . 4.240 2.707 2.441 3.583 . 0 0 "[ . 1 . 2]" 1
935 1 60 ILE HA 1 60 ILE MG . . 3.580 2.384 2.246 2.468 . 0 0 "[ . 1 . 2]" 1
936 1 60 ILE HA 1 61 HIS H . . 3.020 2.165 2.140 2.221 . 0 0 "[ . 1 . 2]" 1
937 1 60 ILE HB 1 60 ILE MD . . 3.530 2.355 2.146 2.493 . 0 0 "[ . 1 . 2]" 1
938 1 60 ILE HB 1 61 HIS H . . 4.610 4.153 3.964 4.368 . 0 0 "[ . 1 . 2]" 1
939 1 60 ILE HG12 1 61 HIS H . . 4.980 4.506 4.148 5.151 0.171 10 0 "[ . 1 . 2]" 1
940 1 60 ILE HG13 1 61 HIS H . . 5.170 4.925 4.174 5.155 . 0 0 "[ . 1 . 2]" 1
941 1 60 ILE MG 1 61 HIS H . . 3.500 2.449 2.012 3.022 . 0 0 "[ . 1 . 2]" 1
942 1 60 ILE MG 1 61 HIS HA . . 4.920 3.739 3.421 4.026 . 0 0 "[ . 1 . 2]" 1
943 1 60 ILE MG 1 62 LYS H . . 5.140 3.995 3.570 4.736 . 0 0 "[ . 1 . 2]" 1
944 1 60 ILE MG 1 62 LYS HB2 . . 3.740 3.358 3.019 3.723 . 0 0 "[ . 1 . 2]" 1
945 1 60 ILE MG 1 62 LYS QE . . 4.300 4.082 3.237 4.293 . 0 0 "[ . 1 . 2]" 1
946 1 61 HIS H 1 61 HIS HB2 . . 3.570 2.496 2.307 2.633 . 0 0 "[ . 1 . 2]" 1
947 1 61 HIS H 1 61 HIS HB3 . . 4.110 3.676 3.534 3.760 . 0 0 "[ . 1 . 2]" 1
948 1 61 HIS H 1 61 HIS HD2 . . 4.390 3.009 2.546 3.587 . 0 0 "[ . 1 . 2]" 1
949 1 61 HIS H 1 62 LYS H . . 5.020 4.318 4.134 4.586 . 0 0 "[ . 1 . 2]" 1
950 1 61 HIS HA 1 62 LYS H . . 2.990 2.157 2.139 2.282 . 0 0 "[ . 1 . 2]" 1
951 1 61 HIS HB2 1 61 HIS HD2 . . 3.740 2.862 2.748 3.000 . 0 0 "[ . 1 . 2]" 1
952 1 61 HIS HB2 1 62 LYS H . . 4.690 4.332 3.982 4.478 . 0 0 "[ . 1 . 2]" 1
953 1 61 HIS HB2 1 78 PHE QE . . 5.000 4.084 3.442 4.907 . 0 0 "[ . 1 . 2]" 1
954 1 61 HIS HB3 1 62 LYS H . . 4.310 3.489 2.760 3.849 . 0 0 "[ . 1 . 2]" 1
955 1 61 HIS HE1 1 78 PHE QE . . 4.930 3.507 2.296 4.358 . 0 0 "[ . 1 . 2]" 1
956 1 61 HIS HE1 1 78 PHE HZ . . 5.000 3.288 2.398 4.405 . 0 0 "[ . 1 . 2]" 1
957 1 62 LYS H 1 62 LYS HB3 . . 4.040 2.627 2.389 2.833 . 0 0 "[ . 1 . 2]" 1
958 1 62 LYS H 1 62 LYS QG . . 4.170 4.062 3.949 4.126 . 0 0 "[ . 1 . 2]" 1
959 1 62 LYS H 1 63 LEU H . . 5.430 4.462 4.319 4.540 . 0 0 "[ . 1 . 2]" 1
960 1 62 LYS H 1 63 LEU HA . . 5.500 5.091 4.920 5.202 . 0 0 "[ . 1 . 2]" 1
961 1 62 LYS HA 1 63 LEU H . . 2.970 2.208 2.171 2.268 . 0 0 "[ . 1 . 2]" 1
962 1 62 LYS HB2 1 62 LYS QE . . 4.090 2.317 2.023 2.626 . 0 0 "[ . 1 . 2]" 1
963 1 62 LYS HB2 1 63 LEU H . . 4.260 4.116 3.876 4.241 . 0 0 "[ . 1 . 2]" 1
964 1 62 LYS HB3 1 63 LEU H . . 4.070 3.986 3.799 4.064 . 0 0 "[ . 1 . 2]" 1
965 1 62 LYS QG 1 63 LEU H . . 4.440 2.357 2.104 2.591 . 0 0 "[ . 1 . 2]" 1
966 1 63 LEU H 1 63 LEU HB2 . . 4.000 3.192 3.044 3.349 . 0 0 "[ . 1 . 2]" 1
967 1 63 LEU H 1 63 LEU HB3 . . 3.620 2.871 2.665 2.991 . 0 0 "[ . 1 . 2]" 1
968 1 63 LEU H 1 63 LEU HG . . 5.500 4.718 4.629 4.757 . 0 0 "[ . 1 . 2]" 1
969 1 63 LEU H 1 64 VAL MG1 . . 4.410 3.442 3.054 4.332 . 0 0 "[ . 1 . 2]" 1
970 1 63 LEU HA 1 63 LEU MD1 . . 4.590 3.620 3.552 3.715 . 0 0 "[ . 1 . 2]" 1
971 1 63 LEU HA 1 63 LEU MD2 . . 4.170 3.244 3.138 3.481 . 0 0 "[ . 1 . 2]" 1
972 1 63 LEU HA 1 63 LEU HG . . 3.950 2.452 2.366 2.646 . 0 0 "[ . 1 . 2]" 1
973 1 63 LEU HA 1 64 VAL H . . 2.880 2.163 2.139 2.309 . 0 0 "[ . 1 . 2]" 1
974 1 63 LEU HA 1 64 VAL MG1 . . 4.760 3.591 3.030 3.918 . 0 0 "[ . 1 . 2]" 1
975 1 63 LEU HA 1 64 VAL MG2 . . 5.310 4.217 3.679 5.370 0.060 18 0 "[ . 1 . 2]" 1
976 1 63 LEU HB2 1 63 LEU MD1 . . 3.590 2.101 2.008 2.248 . 0 0 "[ . 1 . 2]" 1
977 1 63 LEU HB2 1 64 VAL H . . 4.520 4.365 3.795 4.518 . 0 0 "[ . 1 . 2]" 1
978 1 63 LEU MD1 1 64 VAL H . . 5.040 4.689 3.705 4.951 . 0 0 "[ . 1 . 2]" 1
979 1 63 LEU MD1 1 76 TYR QD . . 4.060 3.700 3.241 4.008 . 0 0 "[ . 1 . 2]" 1
980 1 63 LEU MD1 1 76 TYR QE . . 4.430 3.704 3.008 4.245 . 0 0 "[ . 1 . 2]" 1
981 1 63 LEU MD2 1 64 VAL H . . 4.110 3.161 2.262 3.550 . 0 0 "[ . 1 . 2]" 1
982 1 63 LEU MD2 1 64 VAL HA . . 4.360 3.125 2.543 3.443 . 0 0 "[ . 1 . 2]" 1
983 1 63 LEU MD2 1 65 ILE H . . 4.740 3.685 3.190 4.074 . 0 0 "[ . 1 . 2]" 1
984 1 63 LEU MD2 1 65 ILE MD . . 3.380 3.208 2.942 3.380 . 11 0 "[ . 1 . 2]" 1
985 1 63 LEU MD2 1 65 ILE HG12 . . 3.420 2.910 2.659 3.213 . 0 0 "[ . 1 . 2]" 1
986 1 63 LEU MD2 1 65 ILE HG13 . . 3.180 2.707 2.376 3.003 . 0 0 "[ . 1 . 2]" 1
987 1 63 LEU MD2 1 76 TYR QD . . 4.550 3.970 3.489 4.316 . 0 0 "[ . 1 . 2]" 1
988 1 63 LEU MD2 1 76 TYR QE . . 4.360 3.152 2.510 3.714 . 0 0 "[ . 1 . 2]" 1
989 1 63 LEU HG 1 64 VAL H . . 3.860 3.250 1.976 3.607 . 0 0 "[ . 1 . 2]" 1
990 1 64 VAL H 1 64 VAL HB . . 3.890 3.803 3.591 3.892 0.002 5 0 "[ . 1 . 2]" 1
991 1 64 VAL H 1 64 VAL MG1 . . 3.820 2.623 2.255 2.996 . 0 0 "[ . 1 . 2]" 1
992 1 64 VAL H 1 64 VAL MG2 . . 4.030 2.464 2.001 3.862 . 0 0 "[ . 1 . 2]" 1
993 1 64 VAL HA 1 64 VAL MG1 . . 3.480 2.550 2.305 3.154 . 0 0 "[ . 1 . 2]" 1
994 1 64 VAL HA 1 65 ILE H . . 2.910 2.188 2.140 2.299 . 0 0 "[ . 1 . 2]" 1
995 1 64 VAL HA 1 65 ILE HB . . 4.950 4.735 4.596 4.948 . 0 0 "[ . 1 . 2]" 1
996 1 64 VAL HA 1 65 ILE MD . . 5.500 4.868 4.555 5.070 . 0 0 "[ . 1 . 2]" 1
997 1 64 VAL MG1 1 65 ILE H . . 4.730 4.090 3.785 4.209 . 0 0 "[ . 1 . 2]" 1
998 1 64 VAL MG2 1 65 ILE H . . 4.920 3.444 2.213 4.032 . 0 0 "[ . 1 . 2]" 1
999 1 64 VAL MG2 1 66 ALA HA . . 4.700 4.356 3.824 4.697 . 0 0 "[ . 1 . 2]" 1
1000 1 65 ILE H 1 65 ILE HB . . 3.510 2.632 2.515 2.829 . 0 0 "[ . 1 . 2]" 1
1001 1 65 ILE H 1 65 ILE HG12 . . 4.070 3.567 3.198 3.909 . 0 0 "[ . 1 . 2]" 1
1002 1 65 ILE H 1 65 ILE HG13 . . 3.280 2.337 2.025 2.737 . 0 0 "[ . 1 . 2]" 1
1003 1 65 ILE H 1 66 ALA H . . 4.890 4.538 4.475 4.599 . 0 0 "[ . 1 . 2]" 1
1004 1 65 ILE HB 1 65 ILE MD . . 3.440 2.346 2.244 2.417 . 0 0 "[ . 1 . 2]" 1
1005 1 65 ILE HB 1 66 ALA H . . 4.590 3.868 3.661 4.008 . 0 0 "[ . 1 . 2]" 1
1006 1 65 ILE HB 1 67 ASN H . . 5.010 4.244 3.921 4.580 . 0 0 "[ . 1 . 2]" 1
1007 1 65 ILE MD 1 68 ALA HA . . 3.530 3.385 3.152 3.522 . 0 0 "[ . 1 . 2]" 1
1008 1 65 ILE MD 1 69 LEU H . . 4.060 3.969 3.619 4.053 . 0 0 "[ . 1 . 2]" 1
1009 1 65 ILE MD 1 72 ASP H . . 5.500 5.038 4.399 5.429 . 0 0 "[ . 1 . 2]" 1
1010 1 65 ILE MD 1 72 ASP HA . . 4.420 4.040 3.624 4.376 . 0 0 "[ . 1 . 2]" 1
1011 1 65 ILE MD 1 72 ASP QB . . 3.410 2.662 2.363 3.050 . 0 0 "[ . 1 . 2]" 1
1012 1 65 ILE MD 1 76 TYR QE . . 4.440 3.296 2.865 3.664 . 0 0 "[ . 1 . 2]" 1
1013 1 65 ILE MD 1 76 TYR HH . . 4.520 2.915 2.192 3.556 . 0 0 "[ . 1 . 2]" 1
1014 1 65 ILE HG12 1 65 ILE MG . . 3.430 2.326 2.158 2.475 . 0 0 "[ . 1 . 2]" 1
1015 1 65 ILE MG 1 66 ALA H . . 3.400 2.137 1.915 2.348 . 0 0 "[ . 1 . 2]" 1
1016 1 65 ILE MG 1 66 ALA HA . . 4.930 4.076 3.881 4.392 . 0 0 "[ . 1 . 2]" 1
1017 1 65 ILE MG 1 67 ASN H . . 3.460 2.300 1.877 2.992 . 0 0 "[ . 1 . 2]" 1
1018 1 66 ALA H 1 66 ALA MB . . 2.980 2.125 2.025 2.217 . 0 0 "[ . 1 . 2]" 1
1019 1 66 ALA H 1 67 ASN H . . 3.680 2.877 2.570 3.132 . 0 0 "[ . 1 . 2]" 1
1020 1 66 ALA MB 1 67 ASN H . . 3.350 2.291 1.990 2.558 . 0 0 "[ . 1 . 2]" 1
1021 1 66 ALA MB 1 67 ASN HA . . 4.620 4.034 3.933 4.157 . 0 0 "[ . 1 . 2]" 1
1022 1 66 ALA MB 1 67 ASN HB2 . . 4.550 3.678 3.254 4.092 . 0 0 "[ . 1 . 2]" 1
1023 1 66 ALA MB 1 67 ASN HB3 . . 5.370 4.678 3.801 4.892 . 0 0 "[ . 1 . 2]" 1
1024 1 66 ALA MB 1 67 ASN HD21 . . 4.930 3.981 1.917 5.376 0.446 1 0 "[ . 1 . 2]" 1
1025 1 67 ASN H 1 67 ASN HB2 . . 3.650 2.692 2.474 2.986 . 0 0 "[ . 1 . 2]" 1
1026 1 67 ASN H 1 67 ASN HB3 . . 3.970 3.721 2.714 3.892 . 0 0 "[ . 1 . 2]" 1
1027 1 67 ASN H 1 68 ALA H . . 4.400 4.224 4.087 4.391 . 0 0 "[ . 1 . 2]" 1
1028 1 67 ASN HA 1 67 ASN HD21 . . 4.410 3.109 2.177 3.982 . 0 0 "[ . 1 . 2]" 1
1029 1 67 ASN HA 1 67 ASN HD22 . . 3.980 3.980 3.497 4.361 0.381 16 0 "[ . 1 . 2]" 1
1030 1 67 ASN HA 1 68 ALA H . . 2.950 2.145 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
1031 1 67 ASN HA 1 68 ALA MB . . 4.930 3.983 3.923 4.022 . 0 0 "[ . 1 . 2]" 1
1032 1 67 ASN HB2 1 67 ASN HD22 . . 3.990 3.849 3.452 4.097 0.107 9 0 "[ . 1 . 2]" 1
1033 1 67 ASN HB2 1 68 ALA H . . 4.700 4.298 4.055 4.498 . 0 0 "[ . 1 . 2]" 1
1034 1 67 ASN HB3 1 67 ASN HD22 . . 3.870 3.695 3.435 4.096 0.226 14 0 "[ . 1 . 2]" 1
1035 1 67 ASN HB3 1 68 ALA H . . 4.540 3.528 3.280 4.335 . 0 0 "[ . 1 . 2]" 1
1036 1 67 ASN HB3 1 68 ALA MB . . 5.500 4.887 4.663 5.502 0.002 8 0 "[ . 1 . 2]" 1
1037 1 68 ALA H 1 68 ALA MB . . 3.090 2.186 2.030 2.275 . 0 0 "[ . 1 . 2]" 1
1038 1 68 ALA H 1 69 LEU H . . 4.670 4.312 3.989 4.560 . 0 0 "[ . 1 . 2]" 1
1039 1 68 ALA HA 1 69 LEU H . . 2.950 2.199 2.142 2.344 . 0 0 "[ . 1 . 2]" 1
1040 1 68 ALA HA 1 69 LEU HG . . 4.600 4.205 3.835 4.588 . 0 0 "[ . 1 . 2]" 1
1041 1 68 ALA HA 1 72 ASP H . . 5.500 5.363 4.998 5.499 . 0 0 "[ . 1 . 2]" 1
1042 1 68 ALA MB 1 69 LEU H . . 3.720 3.406 3.034 3.653 . 0 0 "[ . 1 . 2]" 1
1043 1 68 ALA MB 1 93 VAL MG2 . . 3.540 2.762 2.165 3.379 . 0 0 "[ . 1 . 2]" 1
1044 1 69 LEU H 1 69 LEU HB2 . . 3.650 2.501 2.359 2.623 . 0 0 "[ . 1 . 2]" 1
1045 1 69 LEU H 1 69 LEU MD2 . . 4.270 3.846 3.314 4.248 . 0 0 "[ . 1 . 2]" 1
1046 1 69 LEU H 1 69 LEU HG . . 3.550 2.735 2.134 3.449 . 0 0 "[ . 1 . 2]" 1
1047 1 69 LEU H 1 70 THR H . . 4.920 4.552 4.470 4.627 . 0 0 "[ . 1 . 2]" 1
1048 1 69 LEU H 1 72 ASP H . . 4.520 3.745 3.419 4.058 . 0 0 "[ . 1 . 2]" 1
1049 1 69 LEU H 1 72 ASP QB . . 4.050 2.828 2.143 3.342 . 0 0 "[ . 1 . 2]" 1
1050 1 69 LEU H 1 93 VAL MG2 . . 5.030 4.718 3.906 5.030 . 8 0 "[ . 1 . 2]" 1
1051 1 69 LEU HA 1 69 LEU HG . . 4.100 2.926 2.519 3.150 . 0 0 "[ . 1 . 2]" 1
1052 1 69 LEU HB2 1 69 LEU MD1 . . 3.450 2.201 2.012 2.373 . 0 0 "[ . 1 . 2]" 1
1053 1 69 LEU HB2 1 70 THR H . . 3.920 3.742 3.284 3.930 0.010 5 0 "[ . 1 . 2]" 1
1054 1 69 LEU HB2 1 71 GLU H . . 4.070 3.115 2.533 3.595 . 0 0 "[ . 1 . 2]" 1
1055 1 69 LEU HB2 1 71 GLU HG3 . . 4.180 3.044 2.071 4.304 0.124 3 0 "[ . 1 . 2]" 1
1056 1 69 LEU HB2 1 72 ASP H . . 4.360 3.050 2.352 3.522 . 0 0 "[ . 1 . 2]" 1
1057 1 69 LEU HB3 1 69 LEU MD1 . . 3.530 2.537 2.285 3.130 . 0 0 "[ . 1 . 2]" 1
1058 1 69 LEU HB3 1 70 THR H . . 3.410 2.609 2.157 2.945 . 0 0 "[ . 1 . 2]" 1
1059 1 69 LEU HB3 1 71 GLU H . . 3.670 2.723 2.406 3.209 . 0 0 "[ . 1 . 2]" 1
1060 1 69 LEU HB3 1 71 GLU HG3 . . 4.190 3.540 2.393 4.305 0.115 3 0 "[ . 1 . 2]" 1
1061 1 69 LEU HB3 1 72 ASP H . . 4.460 3.922 3.319 4.361 . 0 0 "[ . 1 . 2]" 1
1062 1 69 LEU MD1 1 71 GLU H . . 4.730 4.257 3.981 4.592 . 0 0 "[ . 1 . 2]" 1
1063 1 69 LEU MD1 1 71 GLU HG2 . . 4.420 3.282 2.511 4.449 0.029 6 0 "[ . 1 . 2]" 1
1064 1 69 LEU MD1 1 71 GLU HG3 . . 4.450 3.358 2.812 3.964 . 0 0 "[ . 1 . 2]" 1
1065 1 69 LEU MD2 1 70 THR H . . 3.800 3.351 2.662 3.782 . 0 0 "[ . 1 . 2]" 1
1066 1 69 LEU MD2 1 71 GLU H . . 4.850 4.397 3.988 4.844 . 0 0 "[ . 1 . 2]" 1
1067 1 69 LEU HG 1 70 THR H . . 5.080 4.792 4.256 5.048 . 0 0 "[ . 1 . 2]" 1
1068 1 70 THR H 1 70 THR HB . . 3.750 3.192 2.515 3.631 . 0 0 "[ . 1 . 2]" 1
1069 1 70 THR H 1 70 THR MG . . 3.800 3.094 2.168 3.768 . 0 0 "[ . 1 . 2]" 1
1070 1 70 THR H 1 71 GLU H . . 3.700 2.758 2.519 3.032 . 0 0 "[ . 1 . 2]" 1
1071 1 70 THR H 1 72 ASP H . . 4.970 4.270 4.002 4.687 . 0 0 "[ . 1 . 2]" 1
1072 1 70 THR H 1 93 VAL MG2 . . 4.560 4.012 3.466 4.486 . 0 0 "[ . 1 . 2]" 1
1073 1 70 THR HA 1 70 THR MG . . 3.470 2.227 2.041 3.200 . 0 0 "[ . 1 . 2]" 1
1074 1 70 THR HA 1 72 ASP H . . 4.580 4.022 3.724 4.411 . 0 0 "[ . 1 . 2]" 1
1075 1 70 THR HA 1 72 ASP QB . . 5.360 4.754 4.462 5.175 . 0 0 "[ . 1 . 2]" 1
1076 1 70 THR HA 1 73 GLU H . . 4.490 3.656 3.225 4.297 . 0 0 "[ . 1 . 2]" 1
1077 1 70 THR HA 1 73 GLU HG3 . . 5.500 5.500 4.659 6.167 0.667 18 2 "[ . - . + 2]" 1
1078 1 70 THR HA 1 93 VAL HB . . 4.190 3.678 3.014 4.191 0.001 19 0 "[ . 1 . 2]" 1
1079 1 70 THR HA 1 93 VAL MG1 . . 4.000 2.051 1.820 2.417 . 0 0 "[ . 1 . 2]" 1
1080 1 70 THR HA 1 93 VAL MG2 . . 3.740 2.978 2.133 3.742 0.002 20 0 "[ . 1 . 2]" 1
1081 1 70 THR HB 1 71 GLU H . . 3.830 3.405 2.444 3.829 . 0 0 "[ . 1 . 2]" 1
1082 1 70 THR HB 1 72 ASP H . . 5.500 5.258 4.982 5.482 . 0 0 "[ . 1 . 2]" 1
1083 1 70 THR HB 1 93 VAL MG1 . . 4.140 3.931 3.173 4.146 0.006 20 0 "[ . 1 . 2]" 1
1084 1 70 THR MG 1 71 GLU H . . 4.540 3.973 1.815 4.311 . 0 0 "[ . 1 . 2]" 1
1085 1 70 THR MG 1 93 VAL MG2 . . 4.350 3.443 2.598 4.352 0.002 9 0 "[ . 1 . 2]" 1
1086 1 71 GLU H 1 71 GLU HB3 . . 3.720 2.962 2.417 3.599 . 0 0 "[ . 1 . 2]" 1
1087 1 71 GLU H 1 71 GLU HG2 . . 3.830 2.199 1.906 3.358 . 0 0 "[ . 1 . 2]" 1
1088 1 71 GLU H 1 71 GLU HG3 . . 3.720 2.919 1.916 3.490 . 0 0 "[ . 1 . 2]" 1
1089 1 71 GLU H 1 72 ASP H . . 3.690 2.543 2.055 2.950 . 0 0 "[ . 1 . 2]" 1
1090 1 71 GLU HA 1 71 GLU HG2 . . 3.970 3.555 2.724 4.222 0.252 12 0 "[ . 1 . 2]" 1
1091 1 71 GLU HA 1 73 GLU H . . 4.200 3.976 3.682 4.214 0.014 5 0 "[ . 1 . 2]" 1
1092 1 71 GLU HG2 1 72 ASP H . . 4.250 3.384 2.231 4.683 0.433 6 0 "[ . 1 . 2]" 1
1093 1 71 GLU HG3 1 72 ASP H . . 4.740 3.136 2.040 4.739 . 0 0 "[ . 1 . 2]" 1
1094 1 72 ASP H 1 72 ASP QB . . 3.410 2.271 2.137 2.604 . 0 0 "[ . 1 . 2]" 1
1095 1 72 ASP H 1 73 GLU H . . 3.280 2.652 2.292 2.936 . 0 0 "[ . 1 . 2]" 1
1096 1 72 ASP H 1 73 GLU HA . . 5.500 5.233 4.930 5.481 . 0 0 "[ . 1 . 2]" 1
1097 1 72 ASP H 1 93 VAL MG1 . . 5.500 4.800 4.216 5.414 . 0 0 "[ . 1 . 2]" 1
1098 1 72 ASP HA 1 76 TYR HH . . 4.110 2.592 2.003 3.791 . 0 0 "[ . 1 . 2]" 1
1099 1 72 ASP QB 1 73 GLU H . . 3.660 3.009 2.523 3.517 . 0 0 "[ . 1 . 2]" 1
1100 1 72 ASP QB 1 76 TYR HH . . 4.360 2.604 2.006 3.307 . 0 0 "[ . 1 . 2]" 1
1101 1 72 ASP QB 1 93 VAL HB . . 5.370 4.478 3.493 5.104 . 0 0 "[ . 1 . 2]" 1
1102 1 73 GLU H 1 73 GLU HB2 . . 3.220 2.645 2.179 3.484 0.264 7 0 "[ . 1 . 2]" 1
1103 1 73 GLU H 1 73 GLU HB3 . . 3.420 2.607 2.159 3.479 0.059 10 0 "[ . 1 . 2]" 1
1104 1 73 GLU H 1 73 GLU HG2 . . 4.580 4.139 2.930 4.549 . 0 0 "[ . 1 . 2]" 1
1105 1 73 GLU H 1 73 GLU HG3 . . 4.610 4.375 3.871 4.613 0.003 14 0 "[ . 1 . 2]" 1
1106 1 73 GLU H 1 74 GLY H . . 4.820 4.525 4.401 4.651 . 0 0 "[ . 1 . 2]" 1
1107 1 73 GLU H 1 93 VAL HB . . 4.830 3.995 3.282 4.781 . 0 0 "[ . 1 . 2]" 1
1108 1 73 GLU H 1 93 VAL MG1 . . 3.860 3.497 2.900 3.861 0.001 20 0 "[ . 1 . 2]" 1
1109 1 73 GLU HA 1 73 GLU HG2 . . 4.020 2.951 2.239 3.797 . 0 0 "[ . 1 . 2]" 1
1110 1 73 GLU HA 1 73 GLU HG3 . . 4.190 3.211 2.405 4.233 0.043 16 0 "[ . 1 . 2]" 1
1111 1 73 GLU HA 1 74 GLY H . . 2.910 2.202 2.144 2.467 . 0 0 "[ . 1 . 2]" 1
1112 1 73 GLU HA 1 76 TYR QE . . 4.830 3.846 2.752 4.704 . 0 0 "[ . 1 . 2]" 1
1113 1 73 GLU HA 1 91 VAL H . . 5.500 5.019 4.503 5.503 0.003 4 0 "[ . 1 . 2]" 1
1114 1 73 GLU HA 1 91 VAL HB . . 4.080 3.153 2.566 3.786 . 0 0 "[ . 1 . 2]" 1
1115 1 73 GLU HA 1 91 VAL MG2 . . 4.370 2.841 2.335 3.515 . 0 0 "[ . 1 . 2]" 1
1116 1 73 GLU HA 1 92 HIS HA . . 4.700 3.852 2.847 4.685 . 0 0 "[ . 1 . 2]" 1
1117 1 73 GLU HA 1 93 VAL MG1 . . 4.500 4.248 3.774 4.499 . 0 0 "[ . 1 . 2]" 1
1118 1 73 GLU HB2 1 74 GLY H . . 4.480 4.031 2.566 4.487 0.007 17 0 "[ . 1 . 2]" 1
1119 1 73 GLU HB2 1 92 HIS HA . . 4.540 3.530 1.979 4.383 . 0 0 "[ . 1 . 2]" 1
1120 1 73 GLU HB2 1 93 VAL H . . 4.670 3.197 1.910 4.317 . 0 0 "[ . 1 . 2]" 1
1121 1 73 GLU HB2 1 93 VAL HB . . 4.420 3.078 2.299 3.964 . 0 0 "[ . 1 . 2]" 1
1122 1 73 GLU HB2 1 93 VAL MG1 . . 4.010 2.345 1.912 3.296 . 0 0 "[ . 1 . 2]" 1
1123 1 73 GLU HB3 1 74 GLY H . . 4.310 4.065 3.101 4.444 0.134 5 0 "[ . 1 . 2]" 1
1124 1 73 GLU HB3 1 93 VAL H . . 4.630 4.167 2.929 4.673 0.043 17 0 "[ . 1 . 2]" 1
1125 1 73 GLU HB3 1 93 VAL MG1 . . 4.470 2.916 1.946 3.432 . 0 0 "[ . 1 . 2]" 1
1126 1 73 GLU HG2 1 74 GLY H . . 5.290 3.399 2.274 5.028 . 0 0 "[ . 1 . 2]" 1
1127 1 73 GLU HG2 1 92 HIS HA . . 4.240 3.178 2.113 4.620 0.380 5 0 "[ . 1 . 2]" 1
1128 1 73 GLU HG2 1 93 VAL H . . 4.510 3.689 2.202 4.508 . 0 0 "[ . 1 . 2]" 1
1129 1 73 GLU HG2 1 93 VAL MG1 . . 4.200 3.565 1.923 4.210 0.010 17 0 "[ . 1 . 2]" 1
1130 1 73 GLU HG3 1 74 GLY H . . 4.060 3.960 2.699 4.913 0.853 9 4 "[* . *+1 - 2]" 1
1131 1 73 GLU HG3 1 74 GLY HA2 . . 5.500 4.979 3.022 5.650 0.150 10 0 "[ . 1 . 2]" 1
1132 1 73 GLU HG3 1 92 HIS HA . . 4.570 2.744 2.004 3.972 . 0 0 "[ . 1 . 2]" 1
1133 1 73 GLU HG3 1 93 VAL H . . 4.460 2.957 2.036 4.320 . 0 0 "[ . 1 . 2]" 1
1134 1 73 GLU HG3 1 93 VAL HB . . 4.960 4.257 3.320 5.417 0.457 18 0 "[ . 1 . 2]" 1
1135 1 73 GLU HG3 1 93 VAL MG1 . . 3.790 3.071 2.110 3.828 0.038 7 0 "[ . 1 . 2]" 1
1136 1 74 GLY H 1 75 ASP HA . . 5.230 4.464 4.234 4.766 . 0 0 "[ . 1 . 2]" 1
1137 1 74 GLY H 1 76 TYR QD . . 4.920 4.397 3.696 4.812 . 0 0 "[ . 1 . 2]" 1
1138 1 74 GLY H 1 76 TYR QE . . 4.310 3.992 3.277 4.288 . 0 0 "[ . 1 . 2]" 1
1139 1 74 GLY H 1 91 VAL H . . 3.960 3.636 3.285 3.941 . 0 0 "[ . 1 . 2]" 1
1140 1 74 GLY H 1 91 VAL HB . . 4.380 3.589 2.972 4.145 . 0 0 "[ . 1 . 2]" 1
1141 1 74 GLY H 1 91 VAL MG2 . . 3.950 1.988 1.787 2.613 . 0 0 "[ . 1 . 2]" 1
1142 1 74 GLY H 1 92 HIS HA . . 5.500 4.382 3.027 5.340 . 0 0 "[ . 1 . 2]" 1
1143 1 74 GLY HA2 1 75 ASP H . . 3.490 3.313 2.990 3.490 . 0 0 "[ . 1 . 2]" 1
1144 1 74 GLY HA2 1 75 ASP HA . . 5.370 4.627 4.469 4.691 . 0 0 "[ . 1 . 2]" 1
1145 1 74 GLY HA2 1 91 VAL H . . 5.500 5.075 4.407 5.392 . 0 0 "[ . 1 . 2]" 1
1146 1 74 GLY HA3 1 75 ASP H . . 3.230 2.169 2.136 2.269 . 0 0 "[ . 1 . 2]" 1
1147 1 75 ASP H 1 75 ASP HB2 . . 3.390 3.093 2.612 4.011 0.621 4 3 "[ +. * - . 2]" 1
1148 1 75 ASP H 1 75 ASP HB3 . . 4.060 3.535 2.674 3.997 . 0 0 "[ . 1 . 2]" 1
1149 1 75 ASP HA 1 76 TYR H . . 2.950 2.153 2.139 2.230 . 0 0 "[ . 1 . 2]" 1
1150 1 75 ASP HA 1 76 TYR QD . . 4.730 3.559 3.085 4.288 . 0 0 "[ . 1 . 2]" 1
1151 1 75 ASP HA 1 89 ALA H . . 4.870 4.445 4.071 4.872 0.002 5 0 "[ . 1 . 2]" 1
1152 1 75 ASP HA 1 89 ALA MB . . 4.760 4.640 4.393 4.763 0.003 9 0 "[ . 1 . 2]" 1
1153 1 75 ASP HA 1 91 VAL H . . 4.520 3.754 2.641 4.247 . 0 0 "[ . 1 . 2]" 1
1154 1 75 ASP HB3 1 76 TYR H . . 5.200 3.771 2.914 4.498 . 0 0 "[ . 1 . 2]" 1
1155 1 76 TYR H 1 76 TYR HB2 . . 3.560 2.350 2.272 2.494 . 0 0 "[ . 1 . 2]" 1
1156 1 76 TYR H 1 76 TYR HB3 . . 3.930 3.595 3.536 3.669 . 0 0 "[ . 1 . 2]" 1
1157 1 76 TYR H 1 76 TYR QD . . 3.540 2.636 2.395 3.125 . 0 0 "[ . 1 . 2]" 1
1158 1 76 TYR H 1 77 VAL H . . 4.620 4.506 4.438 4.570 . 0 0 "[ . 1 . 2]" 1
1159 1 76 TYR H 1 89 ALA H . . 3.970 3.418 3.001 3.826 . 0 0 "[ . 1 . 2]" 1
1160 1 76 TYR H 1 89 ALA MB . . 4.520 3.139 2.894 3.321 . 0 0 "[ . 1 . 2]" 1
1161 1 76 TYR H 1 90 LYS HA . . 4.580 3.881 3.405 4.380 . 0 0 "[ . 1 . 2]" 1
1162 1 76 TYR H 1 91 VAL H . . 4.700 4.640 4.124 4.706 0.006 13 0 "[ . 1 . 2]" 1
1163 1 76 TYR H 1 91 VAL MG2 . . 4.780 3.091 2.563 3.417 . 0 0 "[ . 1 . 2]" 1
1164 1 76 TYR HA 1 76 TYR QD . . 4.290 3.038 2.771 3.114 . 0 0 "[ . 1 . 2]" 1
1165 1 76 TYR HA 1 77 VAL H . . 2.900 2.207 2.145 2.401 . 0 0 "[ . 1 . 2]" 1
1166 1 76 TYR HA 1 77 VAL HB . . 4.850 4.517 4.418 4.701 . 0 0 "[ . 1 . 2]" 1
1167 1 76 TYR HA 1 77 VAL MG2 . . 4.640 3.571 3.088 3.783 . 0 0 "[ . 1 . 2]" 1
1168 1 76 TYR HA 1 89 ALA MB . . 5.170 4.446 4.262 4.692 . 0 0 "[ . 1 . 2]" 1
1169 1 76 TYR HB2 1 77 VAL H . . 4.410 4.185 3.751 4.386 . 0 0 "[ . 1 . 2]" 1
1170 1 76 TYR HB2 1 89 ALA H . . 4.540 4.272 3.812 4.617 0.077 5 0 "[ . 1 . 2]" 1
1171 1 76 TYR HB2 1 89 ALA MB . . 4.200 2.308 2.048 2.602 . 0 0 "[ . 1 . 2]" 1
1172 1 76 TYR HB2 1 91 VAL MG1 . . 5.480 3.830 3.217 4.073 . 0 0 "[ . 1 . 2]" 1
1173 1 76 TYR HB3 1 77 VAL H . . 3.860 3.064 2.434 3.394 . 0 0 "[ . 1 . 2]" 1
1174 1 76 TYR QD 1 77 VAL H . . 4.690 3.923 3.546 4.297 . 0 0 "[ . 1 . 2]" 1
1175 1 76 TYR QD 1 91 VAL H . . 4.540 4.466 4.294 4.556 0.016 4 0 "[ . 1 . 2]" 1
1176 1 76 TYR QD 1 91 VAL HB . . 4.410 4.304 3.723 4.425 0.015 9 0 "[ . 1 . 2]" 1
1177 1 76 TYR QD 1 91 VAL MG1 . . 3.860 3.025 1.941 3.528 . 0 0 "[ . 1 . 2]" 1
1178 1 76 TYR QD 1 91 VAL MG2 . . 4.980 1.874 1.806 1.946 . 0 0 "[ . 1 . 2]" 1
1179 1 76 TYR QE 1 91 VAL H . . 5.500 5.484 5.367 5.528 0.028 20 0 "[ . 1 . 2]" 1
1180 1 76 TYR QE 1 91 VAL HB . . 3.920 3.710 2.806 3.936 0.016 20 0 "[ . 1 . 2]" 1
1181 1 76 TYR QE 1 91 VAL MG1 . . 4.120 3.203 1.974 3.896 . 0 0 "[ . 1 . 2]" 1
1182 1 76 TYR QE 1 91 VAL MG2 . . 4.480 1.984 1.957 2.149 . 0 0 "[ . 1 . 2]" 1
1183 1 77 VAL H 1 77 VAL HB . . 3.430 2.798 2.683 3.044 . 0 0 "[ . 1 . 2]" 1
1184 1 77 VAL H 1 77 VAL MG2 . . 3.850 2.982 2.748 3.149 . 0 0 "[ . 1 . 2]" 1
1185 1 77 VAL HA 1 77 VAL MG1 . . 3.580 2.405 2.235 2.473 . 0 0 "[ . 1 . 2]" 1
1186 1 77 VAL HA 1 77 VAL MG2 . . 3.530 2.378 2.232 2.552 . 0 0 "[ . 1 . 2]" 1
1187 1 77 VAL HA 1 78 PHE H . . 2.940 2.178 2.160 2.246 . 0 0 "[ . 1 . 2]" 1
1188 1 77 VAL HA 1 88 PRO HA . . 3.410 3.200 2.707 3.408 . 0 0 "[ . 1 . 2]" 1
1189 1 77 VAL HA 1 89 ALA H . . 4.710 4.026 3.412 4.353 . 0 0 "[ . 1 . 2]" 1
1190 1 77 VAL HA 1 89 ALA MB . . 4.680 3.964 3.466 4.221 . 0 0 "[ . 1 . 2]" 1
1191 1 77 VAL HB 1 88 PRO HA . . 5.500 5.070 4.665 5.306 . 0 0 "[ . 1 . 2]" 1
1192 1 77 VAL MG1 1 78 PHE H . . 3.460 2.377 2.134 2.584 . 0 0 "[ . 1 . 2]" 1
1193 1 77 VAL MG1 1 79 ALA H . . 4.670 4.377 3.930 4.672 0.002 5 0 "[ . 1 . 2]" 1
1194 1 77 VAL MG1 1 79 ALA MB . . 3.710 3.302 2.991 3.685 . 0 0 "[ . 1 . 2]" 1
1195 1 77 VAL MG1 1 86 THR HA . . 4.110 2.950 2.720 3.567 . 0 0 "[ . 1 . 2]" 1
1196 1 77 VAL MG1 1 86 THR HB . . 3.110 2.154 1.951 2.424 . 0 0 "[ . 1 . 2]" 1
1197 1 77 VAL MG1 1 87 LEU H . . 3.640 2.651 2.363 3.245 . 0 0 "[ . 1 . 2]" 1
1198 1 77 VAL MG1 1 88 PRO HA . . 4.290 3.542 2.742 3.969 . 0 0 "[ . 1 . 2]" 1
1199 1 77 VAL MG2 1 86 THR HB . . 4.370 3.777 3.454 4.378 0.008 5 0 "[ . 1 . 2]" 1
1200 1 77 VAL MG2 1 88 PRO HA . . 3.550 2.315 1.978 2.616 . 0 0 "[ . 1 . 2]" 1
1201 1 77 VAL MG2 1 88 PRO HB2 . . 4.500 4.368 3.967 4.607 0.107 6 0 "[ . 1 . 2]" 1
1202 1 77 VAL MG2 1 88 PRO HB3 . . 3.720 3.451 3.005 3.683 . 0 0 "[ . 1 . 2]" 1
1203 1 77 VAL MG2 1 89 ALA H . . 4.140 3.267 2.752 3.622 . 0 0 "[ . 1 . 2]" 1
1204 1 78 PHE H 1 78 PHE HB2 . . 3.980 3.117 2.941 3.300 . 0 0 "[ . 1 . 2]" 1
1205 1 78 PHE H 1 78 PHE HB3 . . 3.530 2.449 2.397 2.562 . 0 0 "[ . 1 . 2]" 1
1206 1 78 PHE H 1 78 PHE QD . . 4.210 4.060 3.762 4.208 . 0 0 "[ . 1 . 2]" 1
1207 1 78 PHE H 1 79 ALA H . . 4.950 4.468 4.284 4.552 . 0 0 "[ . 1 . 2]" 1
1208 1 78 PHE H 1 86 THR HB . . 4.750 4.614 4.077 4.741 . 0 0 "[ . 1 . 2]" 1
1209 1 78 PHE H 1 87 LEU H . . 3.850 2.432 2.224 3.026 . 0 0 "[ . 1 . 2]" 1
1210 1 78 PHE H 1 87 LEU HB2 . . 3.940 2.845 2.588 3.304 . 0 0 "[ . 1 . 2]" 1
1211 1 78 PHE H 1 88 PRO HA . . 4.980 4.693 3.976 4.944 . 0 0 "[ . 1 . 2]" 1
1212 1 78 PHE HA 1 78 PHE QD . . 4.260 2.909 2.451 3.297 . 0 0 "[ . 1 . 2]" 1
1213 1 78 PHE HA 1 79 ALA H . . 2.870 2.223 2.144 2.408 . 0 0 "[ . 1 . 2]" 1
1214 1 78 PHE HA 1 79 ALA MB . . 4.370 3.865 3.742 3.955 . 0 0 "[ . 1 . 2]" 1
1215 1 78 PHE HB3 1 79 ALA H . . 4.390 4.114 3.668 4.347 . 0 0 "[ . 1 . 2]" 1
1216 1 78 PHE HB3 1 79 ALA MB . . 5.500 5.277 4.991 5.440 . 0 0 "[ . 1 . 2]" 1
1217 1 78 PHE HB3 1 87 LEU MD1 . . 3.920 2.924 2.241 3.942 0.022 1 0 "[ . 1 . 2]" 1
1218 1 78 PHE QD 1 79 ALA H . . 4.390 3.162 2.467 3.598 . 0 0 "[ . 1 . 2]" 1
1219 1 78 PHE QD 1 87 LEU MD1 . . 4.070 2.172 1.914 2.638 . 0 0 "[ . 1 . 2]" 1
1220 1 78 PHE QD 1 87 LEU MD2 . . 4.650 3.125 2.342 4.158 . 0 0 "[ . 1 . 2]" 1
1221 1 78 PHE QE 1 79 ALA H . . 5.500 4.111 3.372 4.610 . 0 0 "[ . 1 . 2]" 1
1222 1 78 PHE QE 1 80 PRO HA . . 4.490 3.646 3.000 4.019 . 0 0 "[ . 1 . 2]" 1
1223 1 78 PHE QE 1 80 PRO QB . . 4.130 3.161 2.382 3.597 . 0 0 "[ . 1 . 2]" 1
1224 1 78 PHE QE 1 80 PRO HD3 . . 4.530 2.870 2.245 3.298 . 0 0 "[ . 1 . 2]" 1
1225 1 78 PHE QE 1 80 PRO HG3 . . 4.050 3.974 3.084 4.177 0.127 15 0 "[ . 1 . 2]" 1
1226 1 78 PHE QE 1 87 LEU MD1 . . 4.570 3.525 3.097 4.008 . 0 0 "[ . 1 . 2]" 1
1227 1 78 PHE HZ 1 80 PRO HA . . 4.500 3.338 2.911 3.855 . 0 0 "[ . 1 . 2]" 1
1228 1 79 ALA H 1 79 ALA MB . . 3.240 2.634 2.439 2.830 . 0 0 "[ . 1 . 2]" 1
1229 1 79 ALA H 1 80 PRO HD2 . . 4.920 4.691 4.500 4.810 . 0 0 "[ . 1 . 2]" 1
1230 1 79 ALA H 1 80 PRO HD3 . . 4.830 4.393 3.988 4.715 . 0 0 "[ . 1 . 2]" 1
1231 1 79 ALA MB 1 80 PRO HD2 . . 3.930 2.826 2.440 3.260 . 0 0 "[ . 1 . 2]" 1
1232 1 79 ALA MB 1 80 PRO HD3 . . 4.050 3.793 3.556 4.035 . 0 0 "[ . 1 . 2]" 1
1233 1 80 PRO HA 1 81 ASP H . . 3.240 2.262 2.206 2.362 . 0 0 "[ . 1 . 2]" 1
1234 1 80 PRO HA 1 81 ASP QB . . 4.520 4.142 4.023 4.365 . 0 0 "[ . 1 . 2]" 1
1235 1 80 PRO QB 1 81 ASP H . . 4.060 2.879 2.625 3.047 . 0 0 "[ . 1 . 2]" 1
1236 1 80 PRO QB 1 82 ALA H . . 4.480 2.160 2.127 2.203 . 0 0 "[ . 1 . 2]" 1
1237 1 80 PRO QB 1 83 TYR H . . 4.200 2.296 2.074 2.568 . 0 0 "[ . 1 . 2]" 1
1238 1 80 PRO QB 1 83 TYR QD . . 3.900 2.408 2.002 2.720 . 0 0 "[ . 1 . 2]" 1
1239 1 80 PRO HD2 1 85 VAL H . . 4.540 2.848 2.322 4.061 . 0 0 "[ . 1 . 2]" 1
1240 1 80 PRO HD2 1 85 VAL QG . . 4.190 2.978 1.966 3.829 . 0 0 "[ . 1 . 2]" 1
1241 1 80 PRO HD2 1 87 LEU MD1 . . 5.050 4.433 4.070 4.712 . 0 0 "[ . 1 . 2]" 1
1242 1 80 PRO HD3 1 85 VAL H . . 5.170 4.056 3.458 5.160 . 0 0 "[ . 1 . 2]" 1
1243 1 80 PRO HD3 1 85 VAL HB . . 4.400 3.648 2.487 5.121 0.721 12 7 "[* -* ** + . *2]" 1
1244 1 80 PRO HD3 1 85 VAL QG . . 4.110 2.933 1.999 3.729 . 0 0 "[ . 1 . 2]" 1
1245 1 80 PRO HD3 1 87 LEU MD1 . . 3.790 3.551 3.225 3.814 0.024 13 0 "[ . 1 . 2]" 1
1246 1 80 PRO HG2 1 85 VAL H . . 3.940 2.876 2.340 3.815 . 0 0 "[ . 1 . 2]" 1
1247 1 80 PRO HG3 1 85 VAL QG . . 4.680 2.447 1.852 3.061 . 0 0 "[ . 1 . 2]" 1
1248 1 81 ASP H 1 81 ASP QB . . 3.310 2.269 2.185 2.336 . 0 0 "[ . 1 . 2]" 1
1249 1 81 ASP H 1 82 ALA H . . 4.190 2.637 2.528 2.707 . 0 0 "[ . 1 . 2]" 1
1250 1 81 ASP H 1 82 ALA MB . . 4.850 3.923 3.762 4.034 . 0 0 "[ . 1 . 2]" 1
1251 1 81 ASP H 1 83 TYR H . . 5.500 4.234 4.136 4.322 . 0 0 "[ . 1 . 2]" 1
1252 1 81 ASP HA 1 82 ALA H . . 3.160 3.131 3.103 3.162 0.002 16 0 "[ . 1 . 2]" 1
1253 1 81 ASP HA 1 82 ALA HA . . 4.680 4.479 4.452 4.507 . 0 0 "[ . 1 . 2]" 1
1254 1 81 ASP HA 1 82 ALA MB . . 4.860 4.722 4.676 4.768 . 0 0 "[ . 1 . 2]" 1
1255 1 81 ASP HA 1 83 TYR H . . 4.580 4.411 4.141 4.557 . 0 0 "[ . 1 . 2]" 1
1256 1 81 ASP QB 1 82 ALA H . . 3.620 3.579 3.541 3.616 . 0 0 "[ . 1 . 2]" 1
1257 1 81 ASP QB 1 82 ALA HA . . 4.600 4.331 4.216 4.432 . 0 0 "[ . 1 . 2]" 1
1258 1 81 ASP QB 1 82 ALA MB . . 4.080 3.907 3.766 3.985 . 0 0 "[ . 1 . 2]" 1
1259 1 82 ALA H 1 82 ALA MB . . 3.330 2.489 2.427 2.559 . 0 0 "[ . 1 . 2]" 1
1260 1 82 ALA H 1 83 TYR H . . 3.760 1.866 1.798 1.960 . 0 0 "[ . 1 . 2]" 1
1261 1 82 ALA MB 1 83 TYR H . . 3.780 2.801 2.692 2.944 . 0 0 "[ . 1 . 2]" 1
1262 1 82 ALA MB 1 83 TYR QD . . 3.960 2.522 2.103 3.253 . 0 0 "[ . 1 . 2]" 1
1263 1 82 ALA MB 1 83 TYR QE . . 4.030 2.564 2.176 3.191 . 0 0 "[ . 1 . 2]" 1
1264 1 83 TYR H 1 83 TYR HB2 . . 3.490 2.788 2.603 2.941 . 0 0 "[ . 1 . 2]" 1
1265 1 83 TYR H 1 83 TYR HB3 . . 4.100 3.815 3.734 3.921 . 0 0 "[ . 1 . 2]" 1
1266 1 83 TYR H 1 83 TYR QD . . 3.780 2.489 2.015 2.965 . 0 0 "[ . 1 . 2]" 1
1267 1 83 TYR HA 1 83 TYR QD . . 3.850 3.089 2.717 3.262 . 0 0 "[ . 1 . 2]" 1
1268 1 83 TYR HB2 1 85 VAL H . . 4.280 2.812 2.417 3.641 . 0 0 "[ . 1 . 2]" 1
1269 1 83 TYR HB2 1 85 VAL HB . . 4.310 3.667 3.339 4.152 . 0 0 "[ . 1 . 2]" 1
1270 1 83 TYR HB2 1 85 VAL QG . . 4.220 2.357 2.006 2.858 . 0 0 "[ . 1 . 2]" 1
1271 1 83 TYR HB3 1 85 VAL H . . 4.100 3.318 2.672 4.055 . 0 0 "[ . 1 . 2]" 1
1272 1 83 TYR HB3 1 85 VAL QG . . 4.110 2.950 2.238 3.663 . 0 0 "[ . 1 . 2]" 1
1273 1 84 ASN HB2 1 85 VAL H . . 4.680 4.314 3.062 4.654 . 0 0 "[ . 1 . 2]" 1
1274 1 84 ASN HB3 1 85 VAL H . . 5.470 4.302 3.777 4.651 . 0 0 "[ . 1 . 2]" 1
1275 1 85 VAL H 1 85 VAL HB . . 3.910 2.664 2.373 3.140 . 0 0 "[ . 1 . 2]" 1
1276 1 85 VAL H 1 85 VAL QG . . 3.720 2.169 1.875 2.781 . 0 0 "[ . 1 . 2]" 1
1277 1 85 VAL H 1 86 THR H . . 4.710 4.588 4.447 4.643 . 0 0 "[ . 1 . 2]" 1
1278 1 85 VAL HA 1 86 THR H . . 2.760 2.279 2.198 2.393 . 0 0 "[ . 1 . 2]" 1
1279 1 85 VAL HA 1 86 THR MG . . 4.620 3.732 3.469 4.096 . 0 0 "[ . 1 . 2]" 1
1280 1 85 VAL HA 1 87 LEU MD1 . . 5.500 4.615 4.215 5.086 . 0 0 "[ . 1 . 2]" 1
1281 1 85 VAL HB 1 86 THR H . . 3.960 3.854 3.568 3.965 0.005 5 0 "[ . 1 . 2]" 1
1282 1 85 VAL QG 1 86 THR H . . 3.990 1.978 1.801 2.249 . 0 0 "[ . 1 . 2]" 1
1283 1 86 THR H 1 86 THR MG . . 3.860 3.155 2.884 3.385 . 0 0 "[ . 1 . 2]" 1
1284 1 86 THR H 1 87 LEU MD1 . . 4.410 3.427 2.968 3.941 . 0 0 "[ . 1 . 2]" 1
1285 1 86 THR HA 1 86 THR MG . . 3.350 2.284 2.141 2.437 . 0 0 "[ . 1 . 2]" 1
1286 1 86 THR HA 1 87 LEU H . . 2.960 2.155 2.142 2.207 . 0 0 "[ . 1 . 2]" 1
1287 1 86 THR HA 1 87 LEU MD1 . . 4.030 3.022 2.678 3.374 . 0 0 "[ . 1 . 2]" 1
1288 1 86 THR HB 1 87 LEU H . . 3.460 3.300 2.967 3.462 0.002 16 0 "[ . 1 . 2]" 1
1289 1 86 THR HB 1 87 LEU MD1 . . 5.500 4.667 4.290 5.103 . 0 0 "[ . 1 . 2]" 1
1290 1 86 THR MG 1 87 LEU H . . 4.300 3.891 3.668 4.096 . 0 0 "[ . 1 . 2]" 1
1291 1 87 LEU H 1 87 LEU HB2 . . 3.530 2.431 2.308 2.578 . 0 0 "[ . 1 . 2]" 1
1292 1 87 LEU H 1 87 LEU HB3 . . 4.170 3.647 3.560 3.719 . 0 0 "[ . 1 . 2]" 1
1293 1 87 LEU H 1 87 LEU MD1 . . 3.690 2.280 1.942 2.532 . 0 0 "[ . 1 . 2]" 1
1294 1 87 LEU H 1 87 LEU HG . . 4.420 3.964 3.730 4.203 . 0 0 "[ . 1 . 2]" 1
1295 1 87 LEU HA 1 87 LEU MD1 . . 4.260 2.940 2.532 3.287 . 0 0 "[ . 1 . 2]" 1
1296 1 87 LEU HA 1 87 LEU MD2 . . 4.030 3.732 3.554 3.829 . 0 0 "[ . 1 . 2]" 1
1297 1 87 LEU HA 1 87 LEU HG . . 3.720 2.483 2.282 2.639 . 0 0 "[ . 1 . 2]" 1
1298 1 87 LEU HA 1 88 PRO HD2 . . 3.280 1.912 1.911 1.913 . 0 0 "[ . 1 . 2]" 1
1299 1 87 LEU HA 1 88 PRO HD3 . . 3.300 2.472 2.470 2.473 . 0 0 "[ . 1 . 2]" 1
1300 1 87 LEU HB2 1 87 LEU MD2 . . 3.620 2.465 2.272 2.686 . 0 0 "[ . 1 . 2]" 1
1301 1 87 LEU HB3 1 87 LEU MD2 . . 3.480 2.223 1.969 2.392 . 0 0 "[ . 1 . 2]" 1
1302 1 87 LEU HB3 1 88 PRO HD2 . . 4.790 3.645 3.546 3.740 . 0 0 "[ . 1 . 2]" 1
1303 1 87 LEU HB3 1 88 PRO HD3 . . 5.250 4.682 4.638 4.725 . 0 0 "[ . 1 . 2]" 1
1304 1 87 LEU MD1 1 88 PRO HD2 . . 5.500 4.500 4.061 4.884 . 0 0 "[ . 1 . 2]" 1
1305 1 87 LEU MD2 1 88 PRO HD2 . . 5.000 4.797 4.433 5.000 0.000 14 0 "[ . 1 . 2]" 1
1306 1 87 LEU HG 1 88 PRO HD2 . . 4.690 3.861 3.611 4.161 . 0 0 "[ . 1 . 2]" 1
1307 1 87 LEU HG 1 88 PRO HD3 . . 5.500 4.841 4.619 5.015 . 0 0 "[ . 1 . 2]" 1
1308 1 88 PRO HA 1 89 ALA H . . 2.870 2.217 2.152 2.305 . 0 0 "[ . 1 . 2]" 1
1309 1 88 PRO HA 1 89 ALA MB . . 4.770 3.866 3.794 4.006 . 0 0 "[ . 1 . 2]" 1
1310 1 88 PRO HB2 1 89 ALA H . . 3.760 3.189 2.869 3.576 . 0 0 "[ . 1 . 2]" 1
1311 1 88 PRO HB3 1 89 ALA H . . 4.620 3.781 3.590 4.029 . 0 0 "[ . 1 . 2]" 1
1312 1 89 ALA H 1 89 ALA MB . . 3.540 2.666 2.558 2.787 . 0 0 "[ . 1 . 2]" 1
1313 1 89 ALA H 1 90 LYS HA . . 5.460 4.625 4.531 4.777 . 0 0 "[ . 1 . 2]" 1
1314 1 89 ALA HA 1 90 LYS H . . 2.850 2.196 2.141 2.365 . 0 0 "[ . 1 . 2]" 1
1315 1 89 ALA HA 1 90 LYS QB . . 4.680 4.176 3.935 4.428 . 0 0 "[ . 1 . 2]" 1
1316 1 89 ALA MB 1 90 LYS H . . 3.430 2.977 2.444 3.289 . 0 0 "[ . 1 . 2]" 1
1317 1 89 ALA MB 1 91 VAL H . . 5.380 5.116 4.968 5.307 . 0 0 "[ . 1 . 2]" 1
1318 1 90 LYS H 1 90 LYS QB . . 3.220 2.377 2.191 2.519 . 0 0 "[ . 1 . 2]" 1
1319 1 90 LYS H 1 90 LYS QG . . 4.160 3.391 2.511 4.117 . 0 0 "[ . 1 . 2]" 1
1320 1 90 LYS H 1 91 VAL MG1 . . 4.920 4.570 4.260 4.805 . 0 0 "[ . 1 . 2]" 1
1321 1 90 LYS HA 1 90 LYS QD . . 4.340 3.517 2.090 4.212 . 0 0 "[ . 1 . 2]" 1
1322 1 90 LYS HA 1 90 LYS QG . . 3.710 2.380 2.174 2.799 . 0 0 "[ . 1 . 2]" 1
1323 1 90 LYS HA 1 91 VAL H . . 2.840 2.199 2.157 2.263 . 0 0 "[ . 1 . 2]" 1
1324 1 90 LYS HA 1 91 VAL HB . . 5.430 5.573 5.553 5.595 0.165 14 0 "[ . 1 . 2]" 1
1325 1 90 LYS HA 1 91 VAL MG1 . . 5.500 4.331 4.267 4.416 . 0 0 "[ . 1 . 2]" 1
1326 1 90 LYS QB 1 91 VAL H . . 3.820 3.186 2.844 3.677 . 0 0 "[ . 1 . 2]" 1
1327 1 90 LYS QB 1 91 VAL MG2 . . 5.500 4.443 4.296 4.687 . 0 0 "[ . 1 . 2]" 1
1328 1 90 LYS QG 1 91 VAL H . . 5.290 3.407 2.167 4.102 . 0 0 "[ . 1 . 2]" 1
1329 1 91 VAL H 1 91 VAL HB . . 3.780 3.668 3.612 3.728 . 0 0 "[ . 1 . 2]" 1
1330 1 91 VAL H 1 91 VAL MG1 . . 4.440 3.507 3.407 3.602 . 0 0 "[ . 1 . 2]" 1
1331 1 91 VAL H 1 91 VAL MG2 . . 3.620 2.100 1.925 2.264 . 0 0 "[ . 1 . 2]" 1
1332 1 91 VAL HA 1 91 VAL MG1 . . 3.540 2.108 1.976 2.201 . 0 0 "[ . 1 . 2]" 1
1333 1 91 VAL HA 1 91 VAL MG2 . . 3.630 3.132 3.123 3.136 . 0 0 "[ . 1 . 2]" 1
1334 1 91 VAL HA 1 92 HIS H . . 2.870 2.318 2.273 2.384 . 0 0 "[ . 1 . 2]" 1
1335 1 91 VAL HA 1 92 HIS QB . . 4.650 4.024 3.866 4.372 . 0 0 "[ . 1 . 2]" 1
1336 1 91 VAL HB 1 92 HIS H . . 4.820 2.695 2.512 2.821 . 0 0 "[ . 1 . 2]" 1
1337 1 91 VAL HB 1 92 HIS HA . . 5.500 4.018 3.947 4.101 . 0 0 "[ . 1 . 2]" 1
1338 1 91 VAL MG1 1 92 HIS H . . 5.080 3.171 3.079 3.269 . 0 0 "[ . 1 . 2]" 1
1339 1 91 VAL MG1 1 92 HIS HA . . 5.500 5.146 5.106 5.197 . 0 0 "[ . 1 . 2]" 1
1340 1 91 VAL MG2 1 92 HIS H . . 4.060 4.003 3.903 4.065 0.005 5 0 "[ . 1 . 2]" 1
1341 1 91 VAL MG2 1 92 HIS HA . . 4.580 4.403 4.342 4.458 . 0 0 "[ . 1 . 2]" 1
1342 1 92 HIS H 1 92 HIS QB . . 3.360 2.746 2.618 2.856 . 0 0 "[ . 1 . 2]" 1
1343 1 92 HIS HA 1 92 HIS HD2 . . 5.130 4.232 3.422 4.757 . 0 0 "[ . 1 . 2]" 1
1344 1 92 HIS HA 1 93 VAL H . . 2.890 2.240 2.148 2.367 . 0 0 "[ . 1 . 2]" 1
1345 1 92 HIS HA 1 93 VAL MG1 . . 4.790 3.833 3.471 4.124 . 0 0 "[ . 1 . 2]" 1
1346 1 92 HIS QB 1 93 VAL H . . 3.750 3.280 2.613 3.707 . 0 0 "[ . 1 . 2]" 1
1347 1 93 VAL H 1 93 VAL HB . . 3.420 3.013 2.771 3.261 . 0 0 "[ . 1 . 2]" 1
1348 1 93 VAL H 1 93 VAL MG1 . . 3.610 2.105 1.892 2.358 . 0 0 "[ . 1 . 2]" 1
1349 1 93 VAL H 1 93 VAL MG2 . . 4.380 3.887 3.836 3.941 . 0 0 "[ . 1 . 2]" 1
1350 1 93 VAL H 1 94 ILE H . . 4.650 4.408 4.294 4.529 . 0 0 "[ . 1 . 2]" 1
1351 1 93 VAL HA 1 93 VAL MG1 . . 3.540 3.190 3.175 3.202 . 0 0 "[ . 1 . 2]" 1
1352 1 93 VAL HA 1 93 VAL MG2 . . 3.500 2.310 2.163 2.438 . 0 0 "[ . 1 . 2]" 1
1353 1 93 VAL HA 1 94 ILE H . . 2.870 2.188 2.149 2.251 . 0 0 "[ . 1 . 2]" 1
1354 1 93 VAL MG1 1 94 ILE H . . 4.290 3.797 3.524 4.051 . 0 0 "[ . 1 . 2]" 1
1355 1 93 VAL MG2 1 94 ILE H . . 3.710 2.276 1.909 2.632 . 0 0 "[ . 1 . 2]" 1
1356 1 94 ILE H 1 94 ILE HB . . 3.450 2.659 2.423 2.887 . 0 0 "[ . 1 . 2]" 1
1357 1 94 ILE H 1 94 ILE MD . . 4.360 3.331 1.766 3.985 . 0 0 "[ . 1 . 2]" 1
1358 1 94 ILE H 1 94 ILE QG . . 3.630 2.259 1.891 3.302 . 0 0 "[ . 1 . 2]" 1
1359 1 94 ILE H 1 94 ILE MG . . 4.190 3.807 3.749 3.888 . 0 0 "[ . 1 . 2]" 1
1360 1 94 ILE HA 1 94 ILE MD . . 4.100 3.267 2.027 3.954 . 0 0 "[ . 1 . 2]" 1
1361 1 94 ILE HA 1 94 ILE MG . . 3.510 2.278 2.125 2.381 . 0 0 "[ . 1 . 2]" 1
1362 1 94 ILE HA 1 95 SER H . . 3.490 2.170 2.145 2.229 . 0 0 "[ . 1 . 2]" 1
1363 1 94 ILE HB 1 94 ILE MD . . 3.620 2.621 2.196 3.225 . 0 0 "[ . 1 . 2]" 1
1364 1 94 ILE HB 1 95 SER H . . 4.580 4.001 3.641 4.205 . 0 0 "[ . 1 . 2]" 1
1365 1 94 ILE MG 1 95 SER H . . 4.640 2.381 2.013 2.709 . 0 0 "[ . 1 . 2]" 1
1366 1 96 GLY HA2 1 97 PRO QD . . 3.290 2.336 1.866 2.661 . 0 0 "[ . 1 . 2]" 1
1367 1 96 GLY HA3 1 97 PRO QD . . 3.190 2.351 1.948 3.351 0.161 17 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 9:08:11 PM GMT (wattos1)