NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399717 |
1ue9   |
10063 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ue9
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 1586
_Distance_constraint_stats_list.Viol_count 1762
_Distance_constraint_stats_list.Viol_total 2273.845
_Distance_constraint_stats_list.Viol_max 0.905
_Distance_constraint_stats_list.Viol_rms 0.0313
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0645
_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 GLU 0.072 0.013 12 0 "[ . 1 . 2]"
1 9 ILE 1.682 0.086 18 0 "[ . 1 . 2]"
1 10 ALA 1.337 0.383 18 0 "[ . 1 . 2]"
1 11 GLN 1.061 0.045 6 0 "[ . 1 . 2]"
1 12 VAL 1.445 0.053 14 0 "[ . 1 . 2]"
1 13 THR 0.286 0.032 7 0 "[ . 1 . 2]"
1 14 SER 0.970 0.066 20 0 "[ . 1 . 2]"
1 15 ALA 1.857 0.096 20 0 "[ . 1 . 2]"
1 16 TYR 2.735 0.250 12 0 "[ . 1 . 2]"
1 17 VAL 8.182 0.905 6 6 "[ * *+ 1 * .*- 2]"
1 18 ALA 0.749 0.350 20 0 "[ . 1 . 2]"
1 19 SER 0.790 0.142 8 0 "[ . 1 . 2]"
1 20 GLY 0.397 0.079 6 0 "[ . 1 . 2]"
1 21 SER 1.934 0.188 8 0 "[ . 1 . 2]"
1 22 GLU 9.295 0.439 10 0 "[ . 1 . 2]"
1 23 GLN 0.979 0.114 13 0 "[ . 1 . 2]"
1 24 LEU 13.438 0.624 11 11 "[* * ** -*+ *** *2]"
1 25 SER 15.812 0.905 6 8 "[ * *+ * * .*- *2]"
1 26 LEU 4.154 0.568 13 2 "[ - . 1 + . 2]"
1 27 ALA 0.112 0.054 14 0 "[ . 1 . 2]"
1 28 PRO 4.749 0.142 14 0 "[ . 1 . 2]"
1 29 GLY 4.038 0.142 14 0 "[ . 1 . 2]"
1 30 GLN 0.968 0.156 14 0 "[ . 1 . 2]"
1 31 LEU 1.559 0.685 14 1 "[ . 1 +. 2]"
1 32 ILE 3.186 0.234 14 0 "[ . 1 . 2]"
1 33 LEU 6.255 0.834 13 5 "[** . 1 + .* -]"
1 34 ILE 1.131 0.102 15 0 "[ . 1 . 2]"
1 35 LEU 1.990 0.140 10 0 "[ . 1 . 2]"
1 36 LYS 2.756 0.681 14 1 "[ . 1 +. 2]"
1 37 LYS 3.897 0.739 20 1 "[ . 1 . +]"
1 38 ASN 6.376 0.492 17 0 "[ . 1 . 2]"
1 39 THR 1.319 0.172 9 0 "[ . 1 . 2]"
1 40 SER 1.317 0.492 17 0 "[ . 1 . 2]"
1 41 GLY 0.895 0.172 9 0 "[ . 1 . 2]"
1 42 TRP 0.761 0.057 9 0 "[ . 1 . 2]"
1 43 TRP 3.720 0.739 20 1 "[ . 1 . +]"
1 44 GLN 5.096 0.681 14 1 "[ . 1 +. 2]"
1 45 GLY 2.460 0.118 14 0 "[ . 1 . 2]"
1 46 GLU 2.187 0.662 11 1 "[ . 1+ . 2]"
1 47 LEU 3.655 0.447 15 0 "[ . 1 . 2]"
1 48 GLN 12.481 0.834 13 6 "[-* . 1 +*.* *]"
1 49 ALA 3.456 0.185 9 0 "[ . 1 . 2]"
1 50 ARG 0.020 0.018 11 0 "[ . 1 . 2]"
1 51 GLY 0.044 0.023 15 0 "[ . 1 . 2]"
1 52 LYS 0.587 0.587 19 1 "[ . 1 . +2]"
1 53 LYS 4.026 0.673 16 4 "[ . 1 * -.+ *2]"
1 54 ARG 1.616 0.673 16 1 "[ . 1 .+ 2]"
1 55 GLN 11.137 0.624 11 7 "[* . -*+ ** *2]"
1 56 LYS 4.600 0.662 11 1 "[ . 1+ . 2]"
1 57 GLY 1.007 0.266 11 0 "[ . 1 . 2]"
1 58 TRP 10.815 0.439 10 0 "[ . 1 . 2]"
1 59 PHE 1.408 0.070 12 0 "[ . 1 . 2]"
1 60 PRO 5.842 0.215 8 0 "[ . 1 . 2]"
1 61 ALA 4.687 0.215 8 0 "[ . 1 . 2]"
1 62 SER 2.853 0.257 11 0 "[ . 1 . 2]"
1 63 HIS 2.723 0.067 14 0 "[ . 1 . 2]"
1 64 VAL 0.753 0.049 9 0 "[ . 1 . 2]"
1 65 LYS 0.810 0.311 18 0 "[ . 1 . 2]"
1 66 LEU 0.559 0.048 6 0 "[ . 1 . 2]"
1 67 LEU 3.349 0.383 18 0 "[ . 1 . 2]"
1 68 GLY 0.083 0.028 18 0 "[ . 1 . 2]"
1 69 PRO 0.021 0.021 18 0 "[ . 1 . 2]"
1 70 SER 0.037 0.021 18 0 "[ . 1 . 2]"
1 71 SER 0.203 0.074 9 0 "[ . 1 . 2]"
1 72 GLU 1.294 0.174 15 0 "[ . 1 . 2]"
1 73 ARG 0.817 0.166 18 0 "[ . 1 . 2]"
1 74 ALA 0.207 0.109 18 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY H 1 33 LEU QD . . 4.870 3.202 2.170 4.067 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 GLU H . . 3.060 2.263 2.169 2.334 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 GLU HB2 . . 5.110 4.093 4.024 4.270 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 33 LEU QD . . 3.430 2.036 1.851 2.297 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 33 LEU HG . . 4.870 3.174 2.551 3.956 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLU H 1 8 GLU HB2 . . 3.430 2.110 2.024 2.351 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLU H 1 8 GLU HB3 . . 3.960 3.346 3.258 3.532 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLU H 1 8 GLU QG . . 3.760 3.256 3.112 3.485 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLU H 1 33 LEU QD . . 3.910 3.324 2.613 3.820 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLU H 1 34 ILE H . . 4.570 4.057 3.592 4.567 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLU H 1 34 ILE HB . . 4.030 3.353 3.038 3.630 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLU H 1 34 ILE MG . . 4.550 4.394 4.093 4.556 0.006 11 0 "[ . 1 . 2]" 1
13 1 8 GLU HA 1 8 GLU QG . . 3.610 2.093 1.974 2.443 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLU HA 1 9 ILE H . . 2.780 2.217 2.202 2.307 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLU HA 1 9 ILE HA . . 5.110 4.387 4.371 4.410 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLU HA 1 9 ILE HB . . 4.690 4.378 4.311 4.453 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLU HA 1 9 ILE MD . . 5.500 5.100 4.726 5.489 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLU HA 1 9 ILE HG12 . . 4.690 4.101 3.677 4.317 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLU HA 1 33 LEU QD . . 4.870 4.283 3.629 4.724 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLU HA 1 66 LEU MD2 . . 4.260 4.199 4.055 4.273 0.013 12 0 "[ . 1 . 2]" 1
21 1 8 GLU HB2 1 34 ILE H . . 4.400 4.208 3.836 4.408 0.008 19 0 "[ . 1 . 2]" 1
22 1 8 GLU HB2 1 34 ILE HB . . 3.590 2.528 1.994 2.783 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLU HB2 1 34 ILE HG13 . . 4.870 3.928 3.168 4.304 . 0 0 "[ . 1 . 2]" 1
24 1 8 GLU HB2 1 34 ILE MG . . 4.690 3.339 3.004 3.584 . 0 0 "[ . 1 . 2]" 1
25 1 8 GLU HB2 1 66 LEU MD2 . . 4.180 3.819 3.345 4.182 0.002 1 0 "[ . 1 . 2]" 1
26 1 8 GLU HB3 1 9 ILE H . . 4.060 3.665 2.985 3.972 . 0 0 "[ . 1 . 2]" 1
27 1 8 GLU HB3 1 34 ILE H . . 5.110 4.054 3.446 4.793 . 0 0 "[ . 1 . 2]" 1
28 1 8 GLU HB3 1 34 ILE HG13 . . 4.870 3.001 2.577 3.490 . 0 0 "[ . 1 . 2]" 1
29 1 8 GLU HB3 1 66 LEU MD2 . . 3.760 2.536 2.104 2.865 . 0 0 "[ . 1 . 2]" 1
30 1 8 GLU QG 1 9 ILE H . . 4.000 3.553 3.288 3.854 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLU QG 1 66 LEU MD1 . . 4.870 3.963 3.230 4.217 . 0 0 "[ . 1 . 2]" 1
32 1 8 GLU QG 1 66 LEU MD2 . . 4.340 3.141 2.261 3.637 . 0 0 "[ . 1 . 2]" 1
33 1 9 ILE H 1 9 ILE HB . . 3.250 2.280 2.195 2.429 . 0 0 "[ . 1 . 2]" 1
34 1 9 ILE H 1 9 ILE MD . . 4.440 3.968 3.868 4.166 . 0 0 "[ . 1 . 2]" 1
35 1 9 ILE H 1 9 ILE HG12 . . 3.830 2.909 2.688 3.143 . 0 0 "[ . 1 . 2]" 1
36 1 9 ILE H 1 9 ILE HG13 . . 4.060 3.939 3.683 4.069 0.009 11 0 "[ . 1 . 2]" 1
37 1 9 ILE H 1 9 ILE MG . . 4.120 3.633 3.565 3.720 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE H 1 10 ALA H . . 5.090 4.572 4.521 4.623 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE H 1 67 LEU H . . 5.340 4.443 3.994 4.769 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE HA 1 9 ILE MD . . 3.460 2.117 1.985 2.348 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE HA 1 9 ILE HG12 . . 4.000 2.725 2.498 2.840 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE HA 1 9 ILE HG13 . . 4.260 3.649 3.617 3.696 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE HA 1 9 ILE MG . . 3.380 2.528 2.449 2.600 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE HA 1 10 ALA H . . 2.990 2.297 2.259 2.378 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE HA 1 10 ALA MB . . 4.340 3.802 3.757 3.848 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE HA 1 32 ILE H . . 5.170 4.271 4.065 4.498 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE HA 1 33 LEU H . . 5.500 5.158 4.885 5.505 0.005 6 0 "[ . 1 . 2]" 1
48 1 9 ILE HA 1 33 LEU QD . . 4.550 3.557 2.728 4.286 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE HA 1 34 ILE H . . 4.100 3.212 2.887 3.365 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE HA 1 34 ILE HG12 . . 4.690 3.439 3.151 3.643 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE HB 1 9 ILE MD . . 3.540 3.198 3.160 3.210 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE HB 1 10 ALA H . . 4.440 4.160 3.938 4.264 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE HB 1 67 LEU H . . 5.110 4.793 4.533 5.047 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE MD 1 10 ALA H . . 4.440 3.073 2.830 3.270 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE MD 1 32 ILE H . . 4.440 3.261 3.002 3.653 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE MD 1 32 ILE HA . . 5.110 3.987 3.690 4.310 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE MD 1 33 LEU H . . 4.870 3.755 3.492 4.087 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE MD 1 48 GLN HE21 . . 5.110 4.663 4.115 5.043 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE MD 1 48 GLN QG . . 3.950 2.367 1.845 2.752 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE HG12 1 9 ILE MG . . 3.150 3.228 3.201 3.236 0.086 18 0 "[ . 1 . 2]" 1
61 1 9 ILE HG12 1 10 ALA H . . 4.870 4.766 4.546 4.875 0.005 11 0 "[ . 1 . 2]" 1
62 1 9 ILE HG13 1 9 ILE MG . . 3.390 2.428 2.336 2.622 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE HG13 1 10 ALA H . . 5.110 5.096 5.022 5.124 0.014 6 0 "[ . 1 . 2]" 1
64 1 9 ILE HG13 1 33 LEU HA . . 5.110 4.928 4.541 5.112 0.002 9 0 "[ . 1 . 2]" 1
65 1 9 ILE MG 1 10 ALA H . . 3.330 2.041 1.894 2.192 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE MG 1 10 ALA HA . . 3.910 3.450 3.336 3.520 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE MG 1 11 GLN H . . 5.110 4.193 4.021 4.420 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE MG 1 32 ILE H . . 3.360 3.023 2.724 3.301 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE MG 1 32 ILE HA . . 5.380 5.038 4.723 5.261 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE MG 1 67 LEU H . . 4.550 4.283 4.026 4.521 . 0 0 "[ . 1 . 2]" 1
71 1 10 ALA H 1 10 ALA MB . . 3.230 2.429 2.352 2.683 . 0 0 "[ . 1 . 2]" 1
72 1 10 ALA H 1 11 GLN H . . 5.250 4.357 4.225 4.457 . 0 0 "[ . 1 . 2]" 1
73 1 10 ALA H 1 31 LEU HA . . 4.870 4.397 4.062 4.647 . 0 0 "[ . 1 . 2]" 1
74 1 10 ALA H 1 31 LEU MD2 . . 5.110 4.051 3.539 5.233 0.123 14 0 "[ . 1 . 2]" 1
75 1 10 ALA H 1 32 ILE H . . 3.790 2.773 2.501 3.021 . 0 0 "[ . 1 . 2]" 1
76 1 10 ALA H 1 32 ILE HA . . 5.500 4.988 4.724 5.229 . 0 0 "[ . 1 . 2]" 1
77 1 10 ALA H 1 32 ILE HB . . 4.180 3.994 3.855 4.184 0.004 14 0 "[ . 1 . 2]" 1
78 1 10 ALA H 1 32 ILE MG . . 4.690 4.074 3.851 4.443 . 0 0 "[ . 1 . 2]" 1
79 1 10 ALA H 1 34 ILE MD . . 4.550 4.241 4.064 4.396 . 0 0 "[ . 1 . 2]" 1
80 1 10 ALA H 1 34 ILE HG12 . . 4.690 3.781 3.603 4.001 . 0 0 "[ . 1 . 2]" 1
81 1 10 ALA H 1 66 LEU HA . . 5.500 5.240 5.060 5.374 . 0 0 "[ . 1 . 2]" 1
82 1 10 ALA HA 1 11 GLN H . . 3.030 2.239 2.206 2.304 . 0 0 "[ . 1 . 2]" 1
83 1 10 ALA HA 1 11 GLN HB2 . . 4.870 4.600 4.417 4.736 . 0 0 "[ . 1 . 2]" 1
84 1 10 ALA HA 1 34 ILE MD . . 4.870 4.864 4.762 4.887 0.017 18 0 "[ . 1 . 2]" 1
85 1 10 ALA HA 1 43 TRP HZ3 . . 5.500 4.960 4.776 5.211 . 0 0 "[ . 1 . 2]" 1
86 1 10 ALA HA 1 64 VAL HB . . 4.440 4.435 4.378 4.459 0.019 12 0 "[ . 1 . 2]" 1
87 1 10 ALA HA 1 65 LYS H . . 5.110 3.961 3.766 4.086 . 0 0 "[ . 1 . 2]" 1
88 1 10 ALA HA 1 66 LEU HA . . 3.120 2.665 2.513 2.775 . 0 0 "[ . 1 . 2]" 1
89 1 10 ALA HA 1 66 LEU MD2 . . 3.870 3.214 3.058 3.556 . 0 0 "[ . 1 . 2]" 1
90 1 10 ALA HA 1 66 LEU HG . . 5.470 4.956 4.644 5.127 . 0 0 "[ . 1 . 2]" 1
91 1 10 ALA HA 1 67 LEU H . . 3.360 2.980 2.883 3.127 . 0 0 "[ . 1 . 2]" 1
92 1 10 ALA HA 1 67 LEU QD . . 4.260 3.443 1.761 3.648 . 0 0 "[ . 1 . 2]" 1
93 1 10 ALA HA 1 67 LEU HG . . 3.690 2.872 2.679 4.073 0.383 18 0 "[ . 1 . 2]" 1
94 1 10 ALA HA 1 68 GLY H . . 5.500 5.438 5.348 5.528 0.028 18 0 "[ . 1 . 2]" 1
95 1 10 ALA MB 1 11 GLN H . . 3.200 3.065 2.855 3.181 . 0 0 "[ . 1 . 2]" 1
96 1 10 ALA MB 1 32 ILE H . . 4.120 3.868 3.450 4.097 . 0 0 "[ . 1 . 2]" 1
97 1 10 ALA MB 1 32 ILE HB . . 3.640 3.471 3.209 3.626 . 0 0 "[ . 1 . 2]" 1
98 1 10 ALA MB 1 32 ILE MD . . 4.180 4.182 4.124 4.209 0.029 18 0 "[ . 1 . 2]" 1
99 1 10 ALA MB 1 32 ILE MG . . 3.730 3.297 3.094 3.642 . 0 0 "[ . 1 . 2]" 1
100 1 10 ALA MB 1 43 TRP HE3 . . 4.690 3.435 3.327 3.549 . 0 0 "[ . 1 . 2]" 1
101 1 10 ALA MB 1 43 TRP HZ3 . . 3.830 2.825 2.624 3.130 . 0 0 "[ . 1 . 2]" 1
102 1 10 ALA MB 1 59 PHE QE . . 4.550 3.772 3.570 3.878 . 0 0 "[ . 1 . 2]" 1
103 1 10 ALA MB 1 64 VAL H . . 5.500 4.959 4.844 5.123 . 0 0 "[ . 1 . 2]" 1
104 1 10 ALA MB 1 64 VAL HA . . 4.260 4.242 4.154 4.287 0.027 20 0 "[ . 1 . 2]" 1
105 1 10 ALA MB 1 64 VAL HB . . 2.900 2.264 2.179 2.532 . 0 0 "[ . 1 . 2]" 1
106 1 10 ALA MB 1 64 VAL MG1 . . 3.500 3.157 3.092 3.264 . 0 0 "[ . 1 . 2]" 1
107 1 10 ALA MB 1 64 VAL MG2 . . 2.990 1.911 1.808 2.031 . 0 0 "[ . 1 . 2]" 1
108 1 10 ALA MB 1 65 LYS H . . 3.760 3.068 2.750 3.221 . 0 0 "[ . 1 . 2]" 1
109 1 10 ALA MB 1 66 LEU HA . . 3.330 2.844 2.705 2.979 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA MB 1 66 LEU MD2 . . 2.970 2.332 1.947 2.977 0.007 6 0 "[ . 1 . 2]" 1
111 1 10 ALA MB 1 66 LEU HG . . 4.550 3.596 3.303 3.848 . 0 0 "[ . 1 . 2]" 1
112 1 10 ALA MB 1 67 LEU H . . 4.060 4.066 4.034 4.107 0.047 18 0 "[ . 1 . 2]" 1
113 1 11 GLN H 1 11 GLN HB2 . . 3.790 2.955 2.767 3.114 . 0 0 "[ . 1 . 2]" 1
114 1 11 GLN H 1 11 GLN HB3 . . 3.500 2.365 2.270 2.497 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLN H 1 11 GLN QG . . 4.400 3.876 3.783 3.977 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLN H 1 13 THR MG . . 5.500 4.398 4.269 4.561 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLN H 1 64 VAL HB . . 4.120 3.802 3.512 4.013 . 0 0 "[ . 1 . 2]" 1
118 1 11 GLN H 1 64 VAL MG1 . . 5.340 5.194 4.956 5.347 0.007 14 0 "[ . 1 . 2]" 1
119 1 11 GLN H 1 64 VAL MG2 . . 4.440 4.128 3.874 4.341 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLN H 1 65 LYS H . . 3.570 2.651 2.456 2.854 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLN H 1 65 LYS QG . . 3.950 3.007 2.428 3.946 . 0 0 "[ . 1 . 2]" 1
122 1 11 GLN H 1 66 LEU HA . . 4.400 3.934 3.787 4.072 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLN H 1 67 LEU H . . 4.480 4.231 3.960 4.482 0.002 6 0 "[ . 1 . 2]" 1
124 1 11 GLN H 1 67 LEU QD . . 3.890 2.819 2.154 3.056 . 0 0 "[ . 1 . 2]" 1
125 1 11 GLN H 1 67 LEU HG . . 4.180 2.767 2.420 3.647 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLN HA 1 11 GLN QG . . 3.350 2.494 2.358 2.617 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLN HA 1 12 VAL H . . 2.820 2.205 2.201 2.223 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLN HA 1 12 VAL HB . . 4.550 4.544 4.507 4.584 0.034 14 0 "[ . 1 . 2]" 1
129 1 11 GLN HA 1 12 VAL MG2 . . 3.910 3.692 3.569 3.783 . 0 0 "[ . 1 . 2]" 1
130 1 11 GLN HA 1 30 GLN H . . 5.500 4.988 4.773 5.510 0.010 14 0 "[ . 1 . 2]" 1
131 1 11 GLN HA 1 31 LEU MD2 . . 3.360 2.524 2.248 2.625 . 0 0 "[ . 1 . 2]" 1
132 1 11 GLN HA 1 32 ILE H . . 4.340 4.260 3.919 4.365 0.025 20 0 "[ . 1 . 2]" 1
133 1 11 GLN HB2 1 67 LEU QD . . 3.330 2.123 1.825 2.672 . 0 0 "[ . 1 . 2]" 1
134 1 11 GLN HB3 1 65 LYS QE . . 4.870 3.574 2.974 4.451 . 0 0 "[ . 1 . 2]" 1
135 1 11 GLN HB3 1 65 LYS QG . . 4.120 2.594 2.045 3.777 . 0 0 "[ . 1 . 2]" 1
136 1 11 GLN HB3 1 67 LEU QD . . 3.610 2.121 1.958 2.987 . 0 0 "[ . 1 . 2]" 1
137 1 11 GLN HE21 1 29 GLY HA2 . . 4.690 3.284 3.123 3.539 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLN HE21 1 29 GLY HA3 . . 5.340 5.016 4.855 5.278 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLN HE21 1 31 LEU MD2 . . 4.440 3.778 2.559 4.438 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLN HE22 1 29 GLY HA2 . . 5.450 4.528 4.090 4.794 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLN HE22 1 31 LEU MD2 . . 4.870 4.315 2.955 4.862 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLN HE22 1 67 LEU QD . . 5.470 4.361 3.760 5.173 . 0 0 "[ . 1 . 2]" 1
143 1 11 GLN QG 1 12 VAL H . . 3.690 2.839 2.573 3.012 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLN QG 1 13 THR HA . . 4.690 4.045 3.886 4.400 . 0 0 "[ . 1 . 2]" 1
145 1 11 GLN QG 1 13 THR MG . . 4.180 2.970 2.612 3.474 . 0 0 "[ . 1 . 2]" 1
146 1 11 GLN QG 1 29 GLY H . . 4.690 3.842 3.696 3.917 . 0 0 "[ . 1 . 2]" 1
147 1 11 GLN QG 1 29 GLY HA2 . . 4.110 4.136 4.090 4.155 0.045 6 0 "[ . 1 . 2]" 1
148 1 11 GLN QG 1 30 GLN H . . 5.090 4.201 4.001 4.556 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLN QG 1 31 LEU MD2 . . 3.350 3.225 2.247 3.360 0.010 11 0 "[ . 1 . 2]" 1
150 1 11 GLN QG 1 65 LYS H . . 5.500 4.411 4.197 4.805 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLN QG 1 65 LYS QB . . 4.690 4.611 4.245 4.714 0.024 19 0 "[ . 1 . 2]" 1
152 1 11 GLN QG 1 65 LYS QG . . 5.110 3.520 2.807 5.117 0.007 12 0 "[ . 1 . 2]" 1
153 1 12 VAL H 1 12 VAL HB . . 3.310 2.403 2.365 2.442 . 0 0 "[ . 1 . 2]" 1
154 1 12 VAL H 1 12 VAL MG1 . . 4.180 3.698 3.694 3.700 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL H 1 12 VAL MG2 . . 2.980 2.144 2.000 2.228 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL H 1 13 THR H . . 5.170 4.610 4.580 4.634 . 0 0 "[ . 1 . 2]" 1
157 1 12 VAL H 1 13 THR MG . . 4.550 4.530 4.434 4.582 0.032 7 0 "[ . 1 . 2]" 1
158 1 12 VAL H 1 28 PRO HA . . 4.870 4.848 4.718 4.923 0.053 14 0 "[ . 1 . 2]" 1
159 1 12 VAL H 1 29 GLY H . . 4.600 3.948 3.813 4.020 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL H 1 29 GLY HA2 . . 5.500 5.436 5.314 5.538 0.038 20 0 "[ . 1 . 2]" 1
161 1 12 VAL H 1 30 GLN H . . 4.370 3.512 3.384 3.872 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL H 1 31 LEU MD2 . . 3.910 3.695 2.724 3.909 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL H 1 32 ILE MD . . 4.550 4.438 4.192 4.564 0.014 11 0 "[ . 1 . 2]" 1
164 1 12 VAL H 1 64 VAL HA . . 4.340 4.346 4.291 4.383 0.043 14 0 "[ . 1 . 2]" 1
165 1 12 VAL H 1 64 VAL MG1 . . 4.260 3.952 3.728 4.247 . 0 0 "[ . 1 . 2]" 1
166 1 12 VAL HA 1 12 VAL MG1 . . 3.240 2.376 2.345 2.405 . 0 0 "[ . 1 . 2]" 1
167 1 12 VAL HA 1 12 VAL MG2 . . 3.280 2.362 2.314 2.426 . 0 0 "[ . 1 . 2]" 1
168 1 12 VAL HA 1 13 THR H . . 2.890 2.218 2.197 2.242 . 0 0 "[ . 1 . 2]" 1
169 1 12 VAL HA 1 13 THR MG . . 4.260 3.293 3.114 3.472 . 0 0 "[ . 1 . 2]" 1
170 1 12 VAL HA 1 14 SER H . . 3.990 3.604 3.456 3.751 . 0 0 "[ . 1 . 2]" 1
171 1 12 VAL HA 1 26 LEU MD1 . . 4.690 4.426 4.261 4.590 . 0 0 "[ . 1 . 2]" 1
172 1 12 VAL HA 1 26 LEU MD2 . . 5.110 5.066 4.796 5.136 0.026 19 0 "[ . 1 . 2]" 1
173 1 12 VAL HA 1 32 ILE MD . . 5.110 4.687 4.384 4.923 . 0 0 "[ . 1 . 2]" 1
174 1 12 VAL HA 1 64 VAL H . . 5.250 4.496 4.443 4.558 . 0 0 "[ . 1 . 2]" 1
175 1 12 VAL HA 1 64 VAL HA . . 3.100 1.986 1.968 1.997 . 0 0 "[ . 1 . 2]" 1
176 1 12 VAL HA 1 64 VAL HB . . 4.120 2.760 2.528 2.898 . 0 0 "[ . 1 . 2]" 1
177 1 12 VAL HA 1 64 VAL MG1 . . 3.070 2.239 1.994 2.463 . 0 0 "[ . 1 . 2]" 1
178 1 12 VAL HA 1 64 VAL MG2 . . 4.870 4.179 4.001 4.290 . 0 0 "[ . 1 . 2]" 1
179 1 12 VAL HA 1 65 LYS H . . 4.340 3.733 3.645 3.833 . 0 0 "[ . 1 . 2]" 1
180 1 12 VAL HB 1 13 THR H . . 5.110 4.230 4.163 4.290 . 0 0 "[ . 1 . 2]" 1
181 1 12 VAL HB 1 14 SER H . . 5.170 4.788 4.498 5.033 . 0 0 "[ . 1 . 2]" 1
182 1 12 VAL HB 1 26 LEU HB3 . . 4.870 4.546 4.431 4.670 . 0 0 "[ . 1 . 2]" 1
183 1 12 VAL HB 1 28 PRO HA . . 3.230 2.727 2.600 2.854 . 0 0 "[ . 1 . 2]" 1
184 1 12 VAL HB 1 29 GLY H . . 3.500 2.539 2.374 2.648 . 0 0 "[ . 1 . 2]" 1
185 1 12 VAL HB 1 29 GLY HA2 . . 4.870 4.755 4.659 4.859 . 0 0 "[ . 1 . 2]" 1
186 1 12 VAL HB 1 30 GLN H . . 2.990 2.461 2.390 2.547 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL HB 1 64 VAL MG1 . . 4.690 4.219 3.951 4.540 . 0 0 "[ . 1 . 2]" 1
188 1 12 VAL MG1 1 13 THR H . . 3.520 2.537 2.405 2.692 . 0 0 "[ . 1 . 2]" 1
189 1 12 VAL MG1 1 13 THR HA . . 4.550 3.797 3.739 3.855 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL MG1 1 14 SER H . . 3.180 2.330 2.083 2.523 . 0 0 "[ . 1 . 2]" 1
191 1 12 VAL MG1 1 14 SER HA . . 4.870 3.871 3.709 3.980 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL MG1 1 15 ALA H . . 5.090 4.102 3.966 4.329 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL MG1 1 15 ALA HA . . 3.950 3.063 2.987 3.203 . 0 0 "[ . 1 . 2]" 1
194 1 12 VAL MG1 1 15 ALA MB . . 4.870 4.029 3.951 4.164 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL MG1 1 16 TYR H . . 4.690 4.154 4.036 4.280 . 0 0 "[ . 1 . 2]" 1
196 1 12 VAL MG1 1 26 LEU H . . 5.340 4.899 4.823 5.019 . 0 0 "[ . 1 . 2]" 1
197 1 12 VAL MG1 1 26 LEU HB2 . . 3.440 3.055 2.952 3.132 . 0 0 "[ . 1 . 2]" 1
198 1 12 VAL MG1 1 26 LEU HB3 . . 3.220 2.484 2.310 2.579 . 0 0 "[ . 1 . 2]" 1
199 1 12 VAL MG1 1 26 LEU MD1 . . 3.500 3.423 3.351 3.503 0.003 11 0 "[ . 1 . 2]" 1
200 1 12 VAL MG1 1 26 LEU HG . . 4.950 4.915 4.817 4.973 0.023 9 0 "[ . 1 . 2]" 1
201 1 12 VAL MG1 1 27 ALA H . . 4.120 2.424 2.193 2.625 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL MG1 1 27 ALA HA . . 4.550 3.129 3.079 3.180 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL MG1 1 28 PRO HA . . 3.040 1.976 1.960 2.016 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL MG1 1 28 PRO HB2 . . 4.340 4.155 4.084 4.235 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL MG1 1 28 PRO HB3 . . 4.690 3.074 2.975 3.193 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL MG1 1 28 PRO HD2 . . 5.110 4.236 4.152 4.285 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL MG1 1 28 PRO HD3 . . 4.440 3.436 3.325 3.512 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL MG1 1 28 PRO HG2 . . 5.110 4.800 4.701 4.860 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL MG1 1 28 PRO HG3 . . 4.690 4.164 4.038 4.248 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL MG1 1 29 GLY H . . 3.910 3.362 3.285 3.433 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL MG1 1 30 GLN H . . 4.350 3.820 3.668 3.899 . 0 0 "[ . 1 . 2]" 1
212 1 12 VAL MG1 1 30 GLN HB2 . . 5.110 3.949 3.799 4.109 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL MG1 1 63 HIS HB2 . . 4.870 4.556 4.322 4.683 . 0 0 "[ . 1 . 2]" 1
214 1 12 VAL MG1 1 63 HIS HB3 . . 4.260 3.159 3.042 3.259 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL MG1 1 64 VAL HA . . 4.340 3.597 3.492 3.670 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL MG2 1 13 THR H . . 4.340 4.044 3.994 4.096 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL MG2 1 14 SER H . . 5.090 4.579 4.392 4.729 . 0 0 "[ . 1 . 2]" 1
218 1 12 VAL MG2 1 16 TYR H . . 5.500 5.486 5.381 5.523 0.023 5 0 "[ . 1 . 2]" 1
219 1 12 VAL MG2 1 26 LEU H . . 5.500 5.221 5.153 5.301 . 0 0 "[ . 1 . 2]" 1
220 1 12 VAL MG2 1 26 LEU HA . . 4.120 3.274 3.151 3.368 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL MG2 1 26 LEU HB2 . . 3.570 3.518 3.428 3.597 0.027 20 0 "[ . 1 . 2]" 1
222 1 12 VAL MG2 1 26 LEU HB3 . . 3.200 1.991 1.970 2.103 . 0 0 "[ . 1 . 2]" 1
223 1 12 VAL MG2 1 26 LEU MD1 . . 3.380 3.341 3.068 3.422 0.042 14 0 "[ . 1 . 2]" 1
224 1 12 VAL MG2 1 26 LEU MD2 . . 2.990 2.828 2.518 2.991 0.001 1 0 "[ . 1 . 2]" 1
225 1 12 VAL MG2 1 27 ALA H . . 3.950 2.573 2.305 2.709 . 0 0 "[ . 1 . 2]" 1
226 1 12 VAL MG2 1 28 PRO HA . . 4.440 4.141 4.006 4.282 . 0 0 "[ . 1 . 2]" 1
227 1 12 VAL MG2 1 29 GLY H . . 4.910 4.051 3.881 4.180 . 0 0 "[ . 1 . 2]" 1
228 1 12 VAL MG2 1 30 GLN H . . 3.830 3.180 3.017 3.314 . 0 0 "[ . 1 . 2]" 1
229 1 12 VAL MG2 1 30 GLN HB2 . . 3.460 2.518 2.294 2.610 . 0 0 "[ . 1 . 2]" 1
230 1 12 VAL MG2 1 30 GLN HB3 . . 3.570 3.516 3.366 3.580 0.010 6 0 "[ . 1 . 2]" 1
231 1 12 VAL MG2 1 30 GLN HG3 . . 4.550 4.517 4.214 4.597 0.047 14 0 "[ . 1 . 2]" 1
232 1 12 VAL MG2 1 31 LEU H . . 5.110 4.397 4.299 4.620 . 0 0 "[ . 1 . 2]" 1
233 1 12 VAL MG2 1 32 ILE MD . . 3.430 2.260 2.040 2.383 . 0 0 "[ . 1 . 2]" 1
234 1 12 VAL MG2 1 64 VAL H . . 5.450 5.279 5.108 5.464 0.014 9 0 "[ . 1 . 2]" 1
235 1 12 VAL MG2 1 64 VAL HA . . 4.440 3.777 3.712 3.849 . 0 0 "[ . 1 . 2]" 1
236 1 12 VAL MG2 1 64 VAL HB . . 4.440 3.161 3.010 3.453 . 0 0 "[ . 1 . 2]" 1
237 1 12 VAL MG2 1 64 VAL MG1 . . 3.050 2.192 1.977 2.538 . 0 0 "[ . 1 . 2]" 1
238 1 13 THR H 1 13 THR HB . . 4.180 3.697 3.657 3.722 . 0 0 "[ . 1 . 2]" 1
239 1 13 THR H 1 13 THR MG . . 3.480 2.483 2.193 2.657 . 0 0 "[ . 1 . 2]" 1
240 1 13 THR H 1 14 SER H . . 2.990 1.888 1.862 1.981 . 0 0 "[ . 1 . 2]" 1
241 1 13 THR H 1 14 SER HA . . 5.500 4.561 4.532 4.630 . 0 0 "[ . 1 . 2]" 1
242 1 13 THR H 1 28 PRO HA . . 5.340 4.732 4.539 4.849 . 0 0 "[ . 1 . 2]" 1
243 1 13 THR H 1 63 HIS HA . . 5.110 3.982 3.661 4.115 . 0 0 "[ . 1 . 2]" 1
244 1 13 THR H 1 63 HIS HB3 . . 5.340 4.166 3.995 4.255 . 0 0 "[ . 1 . 2]" 1
245 1 13 THR H 1 64 VAL H . . 5.170 4.311 4.052 4.445 . 0 0 "[ . 1 . 2]" 1
246 1 13 THR H 1 64 VAL HA . . 3.140 2.245 2.095 2.338 . 0 0 "[ . 1 . 2]" 1
247 1 13 THR H 1 64 VAL HB . . 4.690 4.319 4.174 4.422 . 0 0 "[ . 1 . 2]" 1
248 1 13 THR H 1 64 VAL MG1 . . 3.910 3.511 3.177 3.675 . 0 0 "[ . 1 . 2]" 1
249 1 13 THR H 1 65 LYS H . . 4.540 4.441 4.302 4.550 0.010 18 0 "[ . 1 . 2]" 1
250 1 13 THR HA 1 13 THR HB . . 2.940 2.472 2.394 2.522 . 0 0 "[ . 1 . 2]" 1
251 1 13 THR HA 1 13 THR MG . . 3.030 2.510 2.425 2.652 . 0 0 "[ . 1 . 2]" 1
252 1 13 THR HB 1 14 SER H . . 4.340 4.221 4.059 4.368 0.028 3 0 "[ . 1 . 2]" 1
253 1 13 THR MG 1 14 SER H . . 4.440 3.906 3.693 4.101 . 0 0 "[ . 1 . 2]" 1
254 1 13 THR MG 1 64 VAL H . . 5.500 4.407 3.883 4.808 . 0 0 "[ . 1 . 2]" 1
255 1 13 THR MG 1 64 VAL HA . . 3.790 2.443 2.058 2.673 . 0 0 "[ . 1 . 2]" 1
256 1 13 THR MG 1 64 VAL HB . . 4.180 4.076 3.848 4.186 0.006 6 0 "[ . 1 . 2]" 1
257 1 13 THR MG 1 64 VAL MG1 . . 4.870 4.312 4.016 4.497 . 0 0 "[ . 1 . 2]" 1
258 1 13 THR MG 1 65 LYS H . . 3.730 2.855 2.614 3.048 . 0 0 "[ . 1 . 2]" 1
259 1 13 THR MG 1 65 LYS QB . . 3.050 1.861 1.714 1.958 . 0 0 "[ . 1 . 2]" 1
260 1 13 THR MG 1 65 LYS HD2 . . 4.120 2.856 2.002 4.132 0.012 10 0 "[ . 1 . 2]" 1
261 1 13 THR MG 1 65 LYS HD3 . . 3.570 2.529 2.109 2.836 . 0 0 "[ . 1 . 2]" 1
262 1 13 THR MG 1 65 LYS QE . . 4.180 3.808 3.302 4.172 . 0 0 "[ . 1 . 2]" 1
263 1 13 THR MG 1 65 LYS QG . . 3.540 2.666 2.023 3.518 . 0 0 "[ . 1 . 2]" 1
264 1 14 SER H 1 14 SER HB2 . . 3.790 3.076 2.787 3.276 . 0 0 "[ . 1 . 2]" 1
265 1 14 SER H 1 14 SER HB3 . . 4.000 3.918 3.836 4.003 0.003 2 0 "[ . 1 . 2]" 1
266 1 14 SER H 1 15 ALA H . . 4.910 4.267 4.125 4.414 . 0 0 "[ . 1 . 2]" 1
267 1 14 SER H 1 63 HIS HB2 . . 5.030 4.978 4.811 5.062 0.032 16 0 "[ . 1 . 2]" 1
268 1 14 SER H 1 63 HIS HB3 . . 3.760 3.477 3.286 3.560 . 0 0 "[ . 1 . 2]" 1
269 1 14 SER H 1 64 VAL HA . . 4.440 3.877 3.796 3.994 . 0 0 "[ . 1 . 2]" 1
270 1 14 SER H 1 64 VAL MG1 . . 5.170 4.231 3.935 4.380 . 0 0 "[ . 1 . 2]" 1
271 1 14 SER HA 1 15 ALA H . . 2.890 2.263 2.239 2.348 . 0 0 "[ . 1 . 2]" 1
272 1 14 SER HA 1 15 ALA HA . . 4.550 4.350 4.339 4.359 . 0 0 "[ . 1 . 2]" 1
273 1 14 SER HA 1 15 ALA MB . . 4.000 3.927 3.913 3.949 . 0 0 "[ . 1 . 2]" 1
274 1 14 SER HA 1 28 PRO HD3 . . 5.110 4.883 4.574 5.049 . 0 0 "[ . 1 . 2]" 1
275 1 14 SER HA 1 28 PRO HG3 . . 3.950 3.833 3.497 3.977 0.027 14 0 "[ . 1 . 2]" 1
276 1 14 SER HB2 1 15 ALA H . . 3.870 3.876 3.822 3.896 0.026 8 0 "[ . 1 . 2]" 1
277 1 14 SER HB2 1 15 ALA MB . . 5.110 5.063 4.975 5.174 0.064 20 0 "[ . 1 . 2]" 1
278 1 14 SER HB2 1 63 HIS HA . . 3.910 2.612 2.532 2.726 . 0 0 "[ . 1 . 2]" 1
279 1 14 SER HB2 1 63 HIS HB3 . . 4.870 3.563 3.339 3.692 . 0 0 "[ . 1 . 2]" 1
280 1 14 SER HB2 1 63 HIS HD2 . . 4.870 4.706 4.610 4.848 . 0 0 "[ . 1 . 2]" 1
281 1 14 SER HB2 1 63 HIS HE1 . . 5.300 3.406 3.281 3.518 . 0 0 "[ . 1 . 2]" 1
282 1 14 SER HB3 1 15 ALA H . . 3.700 3.283 2.880 3.456 . 0 0 "[ . 1 . 2]" 1
283 1 14 SER HB3 1 15 ALA MB . . 5.110 4.698 4.412 4.846 . 0 0 "[ . 1 . 2]" 1
284 1 14 SER HB3 1 63 HIS HA . . 4.180 4.203 4.182 4.246 0.066 20 0 "[ . 1 . 2]" 1
285 1 15 ALA H 1 15 ALA MB . . 2.910 2.014 1.974 2.075 . 0 0 "[ . 1 . 2]" 1
286 1 15 ALA H 1 16 TYR H . . 5.030 4.646 4.613 4.658 . 0 0 "[ . 1 . 2]" 1
287 1 15 ALA H 1 27 ALA HA . . 5.090 4.846 4.625 4.984 . 0 0 "[ . 1 . 2]" 1
288 1 15 ALA H 1 28 PRO HB2 . . 5.450 4.991 4.849 5.271 . 0 0 "[ . 1 . 2]" 1
289 1 15 ALA H 1 28 PRO HB3 . . 5.500 3.599 3.417 3.989 . 0 0 "[ . 1 . 2]" 1
290 1 15 ALA H 1 28 PRO HD2 . . 5.110 4.873 4.742 4.952 . 0 0 "[ . 1 . 2]" 1
291 1 15 ALA H 1 28 PRO HD3 . . 4.260 3.369 3.197 3.470 . 0 0 "[ . 1 . 2]" 1
292 1 15 ALA H 1 28 PRO HG2 . . 4.440 4.480 4.439 4.533 0.093 20 0 "[ . 1 . 2]" 1
293 1 15 ALA H 1 28 PRO HG3 . . 3.990 2.738 2.692 2.816 . 0 0 "[ . 1 . 2]" 1
294 1 15 ALA HA 1 16 TYR H . . 2.860 2.288 2.249 2.323 . 0 0 "[ . 1 . 2]" 1
295 1 15 ALA HA 1 16 TYR HB3 . . 5.110 4.229 4.137 4.439 . 0 0 "[ . 1 . 2]" 1
296 1 15 ALA HA 1 26 LEU H . . 4.870 4.758 4.595 4.910 0.040 20 0 "[ . 1 . 2]" 1
297 1 15 ALA HA 1 26 LEU HB2 . . 3.950 3.714 3.593 3.857 . 0 0 "[ . 1 . 2]" 1
298 1 15 ALA HA 1 26 LEU HB3 . . 4.870 4.558 4.447 4.716 . 0 0 "[ . 1 . 2]" 1
299 1 15 ALA HA 1 27 ALA H . . 5.500 4.365 4.168 4.460 . 0 0 "[ . 1 . 2]" 1
300 1 15 ALA HA 1 27 ALA HA . . 3.670 2.519 2.247 2.682 . 0 0 "[ . 1 . 2]" 1
301 1 15 ALA HA 1 27 ALA MB . . 4.690 4.184 3.945 4.324 . 0 0 "[ . 1 . 2]" 1
302 1 15 ALA HA 1 28 PRO HD2 . . 4.180 3.910 3.669 3.998 . 0 0 "[ . 1 . 2]" 1
303 1 15 ALA HA 1 28 PRO HD3 . . 3.640 2.212 1.986 2.286 . 0 0 "[ . 1 . 2]" 1
304 1 15 ALA HA 1 28 PRO HG3 . . 4.870 3.680 3.537 3.803 . 0 0 "[ . 1 . 2]" 1
305 1 15 ALA MB 1 16 TYR H . . 3.390 2.956 2.887 3.075 . 0 0 "[ . 1 . 2]" 1
306 1 15 ALA MB 1 17 VAL H . . 5.500 5.392 5.033 5.556 0.056 14 0 "[ . 1 . 2]" 1
307 1 15 ALA MB 1 17 VAL QG . . 4.060 3.941 3.794 4.156 0.096 20 0 "[ . 1 . 2]" 1
308 1 15 ALA MB 1 26 LEU H . . 5.470 5.248 5.115 5.462 . 0 0 "[ . 1 . 2]" 1
309 1 15 ALA MB 1 27 ALA HA . . 3.670 2.746 2.588 2.820 . 0 0 "[ . 1 . 2]" 1
310 1 15 ALA MB 1 28 PRO HD2 . . 3.670 2.913 2.769 2.988 . 0 0 "[ . 1 . 2]" 1
311 1 15 ALA MB 1 28 PRO HD3 . . 3.240 1.886 1.868 1.922 . 0 0 "[ . 1 . 2]" 1
312 1 15 ALA MB 1 28 PRO HG2 . . 4.260 3.282 3.202 3.414 . 0 0 "[ . 1 . 2]" 1
313 1 16 TYR H 1 16 TYR HB2 . . 4.120 3.187 3.080 3.268 . 0 0 "[ . 1 . 2]" 1
314 1 16 TYR H 1 16 TYR HB3 . . 3.910 2.528 2.419 2.715 . 0 0 "[ . 1 . 2]" 1
315 1 16 TYR H 1 16 TYR QD . . 5.090 4.172 4.037 4.338 . 0 0 "[ . 1 . 2]" 1
316 1 16 TYR H 1 17 VAL H . . 5.030 4.382 4.216 4.466 . 0 0 "[ . 1 . 2]" 1
317 1 16 TYR H 1 17 VAL QG . . 4.870 4.049 3.786 4.348 . 0 0 "[ . 1 . 2]" 1
318 1 16 TYR H 1 26 LEU H . . 3.640 2.852 2.636 3.031 . 0 0 "[ . 1 . 2]" 1
319 1 16 TYR H 1 26 LEU HB2 . . 3.610 3.001 2.851 3.078 . 0 0 "[ . 1 . 2]" 1
320 1 16 TYR H 1 26 LEU HB3 . . 4.440 4.373 4.248 4.464 0.024 13 0 "[ . 1 . 2]" 1
321 1 16 TYR H 1 26 LEU MD1 . . 4.690 4.586 4.357 4.702 0.012 19 0 "[ . 1 . 2]" 1
322 1 16 TYR H 1 26 LEU MD2 . . 5.500 5.308 5.199 5.426 . 0 0 "[ . 1 . 2]" 1
323 1 16 TYR H 1 26 LEU HG . . 5.110 4.659 4.534 4.820 . 0 0 "[ . 1 . 2]" 1
324 1 16 TYR H 1 27 ALA HA . . 4.810 3.448 3.275 3.587 . 0 0 "[ . 1 . 2]" 1
325 1 16 TYR H 1 27 ALA MB . . 5.500 4.529 4.288 4.677 . 0 0 "[ . 1 . 2]" 1
326 1 16 TYR H 1 28 PRO HD2 . . 5.500 5.486 5.296 5.553 0.053 13 0 "[ . 1 . 2]" 1
327 1 16 TYR H 1 28 PRO HD3 . . 4.870 4.058 3.921 4.121 . 0 0 "[ . 1 . 2]" 1
328 1 16 TYR HA 1 16 TYR QD . . 3.590 2.776 2.307 3.038 . 0 0 "[ . 1 . 2]" 1
329 1 16 TYR HA 1 16 TYR QE . . 4.870 4.791 4.638 4.899 0.029 14 0 "[ . 1 . 2]" 1
330 1 16 TYR HA 1 17 VAL H . . 3.070 2.316 2.202 2.386 . 0 0 "[ . 1 . 2]" 1
331 1 16 TYR HA 1 17 VAL HB . . 4.690 4.646 4.412 4.940 0.250 12 0 "[ . 1 . 2]" 1
332 1 16 TYR HA 1 17 VAL QG . . 4.260 3.229 3.073 3.448 . 0 0 "[ . 1 . 2]" 1
333 1 16 TYR HA 1 26 LEU H . . 4.850 4.330 4.014 4.512 . 0 0 "[ . 1 . 2]" 1
334 1 16 TYR HB2 1 17 VAL H . . 4.680 4.074 3.913 4.378 . 0 0 "[ . 1 . 2]" 1
335 1 16 TYR HB2 1 26 LEU H . . 4.340 3.721 3.613 3.858 . 0 0 "[ . 1 . 2]" 1
336 1 16 TYR HB2 1 26 LEU HB2 . . 3.760 2.859 2.644 2.932 . 0 0 "[ . 1 . 2]" 1
337 1 16 TYR HB2 1 26 LEU HB3 . . 4.550 4.540 4.329 4.598 0.048 13 0 "[ . 1 . 2]" 1
338 1 16 TYR HB2 1 26 LEU MD1 . . 3.730 2.914 2.628 3.244 . 0 0 "[ . 1 . 2]" 1
339 1 16 TYR HB2 1 63 HIS HB2 . . 4.870 3.621 3.449 3.831 . 0 0 "[ . 1 . 2]" 1
340 1 16 TYR HB2 1 63 HIS HB3 . . 5.110 3.182 3.053 3.276 . 0 0 "[ . 1 . 2]" 1
341 1 16 TYR HB2 1 63 HIS HD2 . . 4.100 4.124 4.102 4.155 0.055 20 0 "[ . 1 . 2]" 1
342 1 16 TYR HB2 1 63 HIS HE1 . . 5.300 3.301 3.105 3.841 . 0 0 "[ . 1 . 2]" 1
343 1 16 TYR HB3 1 17 VAL H . . 5.090 4.093 3.983 4.291 . 0 0 "[ . 1 . 2]" 1
344 1 16 TYR HB3 1 26 LEU H . . 3.930 1.996 1.934 2.117 . 0 0 "[ . 1 . 2]" 1
345 1 16 TYR HB3 1 26 LEU HB2 . . 3.610 1.986 1.958 1.999 . 0 0 "[ . 1 . 2]" 1
346 1 16 TYR HB3 1 26 LEU HB3 . . 4.340 3.649 3.614 3.693 . 0 0 "[ . 1 . 2]" 1
347 1 16 TYR HB3 1 26 LEU MD1 . . 3.830 2.795 2.587 2.974 . 0 0 "[ . 1 . 2]" 1
348 1 16 TYR HB3 1 26 LEU HG . . 4.120 2.585 2.411 2.813 . 0 0 "[ . 1 . 2]" 1
349 1 16 TYR HB3 1 63 HIS HB2 . . 5.110 4.457 4.279 4.694 . 0 0 "[ . 1 . 2]" 1
350 1 16 TYR HB3 1 63 HIS HB3 . . 5.110 3.928 3.745 4.162 . 0 0 "[ . 1 . 2]" 1
351 1 16 TYR QD 1 17 VAL H . . 4.150 3.023 2.116 3.740 . 0 0 "[ . 1 . 2]" 1
352 1 16 TYR QD 1 17 VAL HA . . 5.300 4.055 3.642 4.462 . 0 0 "[ . 1 . 2]" 1
353 1 16 TYR QD 1 17 VAL QG . . 5.470 4.304 4.179 4.389 . 0 0 "[ . 1 . 2]" 1
354 1 16 TYR QD 1 18 ALA H . . 5.300 3.527 2.585 4.125 . 0 0 "[ . 1 . 2]" 1
355 1 16 TYR QD 1 18 ALA HA . . 4.440 3.948 3.316 4.240 . 0 0 "[ . 1 . 2]" 1
356 1 16 TYR QD 1 18 ALA MB . . 4.870 3.880 3.311 4.455 . 0 0 "[ . 1 . 2]" 1
357 1 16 TYR QD 1 24 LEU H . . 5.500 4.569 4.174 4.868 . 0 0 "[ . 1 . 2]" 1
358 1 16 TYR QD 1 25 SER H . . 5.500 4.627 4.456 5.050 . 0 0 "[ . 1 . 2]" 1
359 1 16 TYR QD 1 26 LEU H . . 4.480 2.330 2.016 2.752 . 0 0 "[ . 1 . 2]" 1
360 1 16 TYR QD 1 26 LEU HB2 . . 5.110 3.695 3.387 3.922 . 0 0 "[ . 1 . 2]" 1
361 1 16 TYR QD 1 26 LEU HB3 . . 5.300 4.848 4.558 5.181 . 0 0 "[ . 1 . 2]" 1
362 1 16 TYR QD 1 26 LEU MD1 . . 4.260 3.152 2.430 3.692 . 0 0 "[ . 1 . 2]" 1
363 1 16 TYR QD 1 26 LEU MD2 . . 5.110 3.818 3.469 4.176 . 0 0 "[ . 1 . 2]" 1
364 1 16 TYR QD 1 26 LEU HG . . 4.010 2.340 1.994 2.862 . 0 0 "[ . 1 . 2]" 1
365 1 16 TYR QD 1 59 PHE HA . . 5.500 4.574 4.219 4.918 . 0 0 "[ . 1 . 2]" 1
366 1 16 TYR QD 1 59 PHE HB2 . . 4.690 3.629 3.116 4.059 . 0 0 "[ . 1 . 2]" 1
367 1 16 TYR QD 1 59 PHE HB3 . . 4.550 4.217 3.833 4.546 . 0 0 "[ . 1 . 2]" 1
368 1 16 TYR QD 1 60 PRO HD2 . . 4.550 3.433 3.087 3.606 . 0 0 "[ . 1 . 2]" 1
369 1 16 TYR QD 1 60 PRO HD3 . . 4.550 3.925 3.768 4.053 . 0 0 "[ . 1 . 2]" 1
370 1 16 TYR QD 1 60 PRO HG2 . . 4.550 3.342 2.809 3.974 . 0 0 "[ . 1 . 2]" 1
371 1 16 TYR QD 1 60 PRO HG3 . . 4.870 3.635 3.182 4.250 . 0 0 "[ . 1 . 2]" 1
372 1 16 TYR QD 1 63 HIS HD2 . . 4.870 3.823 3.142 4.551 . 0 0 "[ . 1 . 2]" 1
373 1 16 TYR QD 1 63 HIS HE1 . . 4.610 3.337 2.846 3.786 . 0 0 "[ . 1 . 2]" 1
374 1 16 TYR QE 1 17 VAL H . . 4.870 4.028 3.412 4.735 . 0 0 "[ . 1 . 2]" 1
375 1 16 TYR QE 1 17 VAL QG . . 5.500 4.834 4.757 4.909 . 0 0 "[ . 1 . 2]" 1
376 1 16 TYR QE 1 18 ALA H . . 4.150 3.618 3.127 4.156 0.006 16 0 "[ . 1 . 2]" 1
377 1 16 TYR QE 1 18 ALA HA . . 3.330 2.357 2.052 2.915 . 0 0 "[ . 1 . 2]" 1
378 1 16 TYR QE 1 18 ALA MB . . 4.060 2.809 2.072 3.855 . 0 0 "[ . 1 . 2]" 1
379 1 16 TYR QE 1 19 SER H . . 4.280 4.162 3.800 4.305 0.025 10 0 "[ . 1 . 2]" 1
380 1 16 TYR QE 1 23 GLN HA . . 5.110 4.575 4.344 4.983 . 0 0 "[ . 1 . 2]" 1
381 1 16 TYR QE 1 23 GLN HB2 . . 4.550 4.326 3.970 4.540 . 0 0 "[ . 1 . 2]" 1
382 1 16 TYR QE 1 23 GLN HB3 . . 3.660 2.725 2.482 2.915 . 0 0 "[ . 1 . 2]" 1
383 1 16 TYR QE 1 23 GLN QG . . 4.270 3.542 2.800 4.138 . 0 0 "[ . 1 . 2]" 1
384 1 16 TYR QE 1 24 LEU H . . 4.720 3.230 2.431 3.881 . 0 0 "[ . 1 . 2]" 1
385 1 16 TYR QE 1 26 LEU H . . 5.060 4.675 4.409 5.069 0.009 20 0 "[ . 1 . 2]" 1
386 1 16 TYR QE 1 59 PHE HA . . 4.420 3.509 3.009 3.984 . 0 0 "[ . 1 . 2]" 1
387 1 16 TYR QE 1 59 PHE HB3 . . 4.870 4.095 3.677 4.833 . 0 0 "[ . 1 . 2]" 1
388 1 16 TYR QE 1 60 PRO HD3 . . 3.810 3.123 2.868 3.456 . 0 0 "[ . 1 . 2]" 1
389 1 16 TYR QE 1 60 PRO HG2 . . 4.340 3.815 3.186 4.355 0.015 6 0 "[ . 1 . 2]" 1
390 1 16 TYR QE 1 60 PRO HG3 . . 4.440 2.949 2.359 3.735 . 0 0 "[ . 1 . 2]" 1
391 1 17 VAL H 1 17 VAL HB . . 3.230 2.864 2.578 3.385 0.155 20 0 "[ . 1 . 2]" 1
392 1 17 VAL H 1 17 VAL QG . . 3.290 2.479 1.852 2.859 . 0 0 "[ . 1 . 2]" 1
393 1 17 VAL H 1 18 ALA H . . 5.030 4.044 3.647 4.246 . 0 0 "[ . 1 . 2]" 1
394 1 17 VAL H 1 18 ALA HA . . 5.500 4.716 4.462 5.090 . 0 0 "[ . 1 . 2]" 1
395 1 17 VAL H 1 26 LEU H . . 5.500 4.693 4.498 4.859 . 0 0 "[ . 1 . 2]" 1
396 1 17 VAL HA 1 17 VAL QG . . 2.840 2.230 2.054 2.525 . 0 0 "[ . 1 . 2]" 1
397 1 17 VAL HA 1 18 ALA H . . 2.850 2.223 2.182 2.393 . 0 0 "[ . 1 . 2]" 1
398 1 17 VAL HA 1 18 ALA MB . . 4.120 3.928 3.788 4.015 . 0 0 "[ . 1 . 2]" 1
399 1 17 VAL HA 1 26 LEU H . . 4.690 4.084 3.624 4.375 . 0 0 "[ . 1 . 2]" 1
400 1 17 VAL HB 1 18 ALA H . . 4.810 4.416 4.165 4.579 . 0 0 "[ . 1 . 2]" 1
401 1 17 VAL QG 1 18 ALA H . . 3.520 3.123 2.621 3.503 . 0 0 "[ . 1 . 2]" 1
402 1 17 VAL QG 1 18 ALA HA . . 4.870 4.310 4.049 4.496 . 0 0 "[ . 1 . 2]" 1
403 1 17 VAL QG 1 18 ALA MB . . 4.180 3.764 3.028 4.047 . 0 0 "[ . 1 . 2]" 1
404 1 17 VAL QG 1 25 SER HB2 . . 4.440 4.365 3.694 5.345 0.905 6 6 "[ * *+ 1 * .*- 2]" 1
405 1 17 VAL QG 1 26 LEU H . . 5.110 4.745 4.597 4.842 . 0 0 "[ . 1 . 2]" 1
406 1 18 ALA H 1 18 ALA MB . . 2.920 2.117 1.937 2.633 . 0 0 "[ . 1 . 2]" 1
407 1 18 ALA H 1 23 GLN HB2 . . 5.500 5.426 4.898 5.541 0.041 13 0 "[ . 1 . 2]" 1
408 1 18 ALA H 1 26 LEU H . . 4.960 4.288 3.544 4.839 . 0 0 "[ . 1 . 2]" 1
409 1 18 ALA HA 1 19 SER H . . 2.800 2.414 2.201 2.932 0.132 20 0 "[ . 1 . 2]" 1
410 1 18 ALA HA 1 20 GLY H . . 4.550 4.367 4.074 4.558 0.008 6 0 "[ . 1 . 2]" 1
411 1 18 ALA HA 1 23 GLN HB2 . . 3.950 3.540 2.820 3.930 . 0 0 "[ . 1 . 2]" 1
412 1 18 ALA HA 1 23 GLN HB3 . . 3.950 2.643 1.983 3.518 . 0 0 "[ . 1 . 2]" 1
413 1 18 ALA HA 1 23 GLN QG . . 4.690 3.810 2.816 4.706 0.016 6 0 "[ . 1 . 2]" 1
414 1 18 ALA MB 1 19 SER H . . 3.760 2.654 2.004 3.229 . 0 0 "[ . 1 . 2]" 1
415 1 18 ALA MB 1 20 GLY H . . 3.730 3.409 2.897 3.730 . 0 0 "[ . 1 . 2]" 1
416 1 18 ALA MB 1 23 GLN H . . 4.330 3.733 3.428 3.978 . 0 0 "[ . 1 . 2]" 1
417 1 18 ALA MB 1 23 GLN HA . . 4.870 3.935 3.579 4.375 . 0 0 "[ . 1 . 2]" 1
418 1 18 ALA MB 1 23 GLN HB2 . . 3.240 2.200 1.952 2.575 . 0 0 "[ . 1 . 2]" 1
419 1 18 ALA MB 1 23 GLN HB3 . . 3.540 2.063 1.784 2.717 . 0 0 "[ . 1 . 2]" 1
420 1 18 ALA MB 1 23 GLN QG . . 4.180 3.632 3.360 3.923 . 0 0 "[ . 1 . 2]" 1
421 1 18 ALA MB 1 24 LEU H . . 4.550 3.265 2.421 4.196 . 0 0 "[ . 1 . 2]" 1
422 1 18 ALA MB 1 24 LEU HA . . 4.180 3.178 2.805 3.777 . 0 0 "[ . 1 . 2]" 1
423 1 18 ALA MB 1 25 SER H . . 3.870 3.079 2.577 3.542 . 0 0 "[ . 1 . 2]" 1
424 1 18 ALA MB 1 25 SER HB2 . . 4.550 4.161 3.446 4.900 0.350 20 0 "[ . 1 . 2]" 1
425 1 18 ALA MB 1 26 LEU H . . 5.340 4.982 4.425 5.458 0.118 20 0 "[ . 1 . 2]" 1
426 1 19 SER H 1 19 SER HB2 . . 3.830 2.835 2.281 3.851 0.021 12 0 "[ . 1 . 2]" 1
427 1 19 SER H 1 19 SER HB3 . . 3.610 3.440 2.779 3.752 0.142 8 0 "[ . 1 . 2]" 1
428 1 19 SER H 1 20 GLY H . . 3.410 2.297 1.877 2.977 . 0 0 "[ . 1 . 2]" 1
429 1 19 SER H 1 23 GLN H . . 5.500 4.946 3.959 5.525 0.025 6 0 "[ . 1 . 2]" 1
430 1 19 SER H 1 23 GLN HB2 . . 4.130 2.784 1.953 3.446 . 0 0 "[ . 1 . 2]" 1
431 1 19 SER H 1 23 GLN HB3 . . 4.420 3.112 2.258 4.005 . 0 0 "[ . 1 . 2]" 1
432 1 19 SER H 1 23 GLN HE22 . . 4.910 3.368 1.870 4.701 . 0 0 "[ . 1 . 2]" 1
433 1 19 SER H 1 23 GLN QG . . 4.960 3.411 1.917 4.366 . 0 0 "[ . 1 . 2]" 1
434 1 19 SER HB2 1 20 GLY H . . 4.690 3.512 2.181 4.548 . 0 0 "[ . 1 . 2]" 1
435 1 19 SER HB2 1 23 GLN HE22 . . 4.870 3.603 1.935 4.693 . 0 0 "[ . 1 . 2]" 1
436 1 19 SER HB3 1 20 GLY H . . 4.870 3.589 2.200 4.731 . 0 0 "[ . 1 . 2]" 1
437 1 19 SER HB3 1 23 GLN HE22 . . 4.870 3.790 1.949 4.815 . 0 0 "[ . 1 . 2]" 1
438 1 20 GLY H 1 21 SER H . . 5.170 3.641 2.239 4.406 . 0 0 "[ . 1 . 2]" 1
439 1 20 GLY H 1 21 SER HA . . 5.500 4.820 4.189 5.548 0.048 19 0 "[ . 1 . 2]" 1
440 1 20 GLY H 1 22 GLU H . . 5.500 5.210 4.650 5.515 0.015 8 0 "[ . 1 . 2]" 1
441 1 20 GLY H 1 23 GLN HB2 . . 4.030 2.775 1.955 3.330 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLY H 1 23 GLN HB3 . . 4.760 4.053 3.501 4.704 . 0 0 "[ . 1 . 2]" 1
443 1 20 GLY H 1 23 GLN QG . . 4.680 3.791 2.702 4.603 . 0 0 "[ . 1 . 2]" 1
444 1 20 GLY QA 1 21 SER H . . 3.550 2.295 2.172 2.779 . 0 0 "[ . 1 . 2]" 1
445 1 20 GLY QA 1 22 GLU H . . 4.510 3.770 3.196 4.521 0.011 20 0 "[ . 1 . 2]" 1
446 1 20 GLY QA 1 23 GLN H . . 4.810 3.935 3.210 4.593 . 0 0 "[ . 1 . 2]" 1
447 1 20 GLY QA 1 23 GLN HE21 . . 5.170 4.032 2.773 5.226 0.056 6 0 "[ . 1 . 2]" 1
448 1 20 GLY QA 1 23 GLN HE22 . . 5.170 3.398 1.927 5.199 0.029 13 0 "[ . 1 . 2]" 1
449 1 20 GLY QA 1 23 GLN QG . . 4.870 4.189 3.043 4.949 0.079 6 0 "[ . 1 . 2]" 1
450 1 21 SER H 1 21 SER HB2 . . 4.120 2.667 2.057 3.268 . 0 0 "[ . 1 . 2]" 1
451 1 21 SER H 1 21 SER HB3 . . 4.130 3.393 2.877 3.926 . 0 0 "[ . 1 . 2]" 1
452 1 21 SER H 1 22 GLU H . . 4.350 2.354 1.873 4.137 . 0 0 "[ . 1 . 2]" 1
453 1 21 SER H 1 23 GLN H . . 4.810 3.303 2.135 4.270 . 0 0 "[ . 1 . 2]" 1
454 1 21 SER HA 1 21 SER HB3 . . 3.050 2.838 2.257 3.005 . 0 0 "[ . 1 . 2]" 1
455 1 21 SER HA 1 22 GLU H . . 3.460 3.264 2.343 3.648 0.188 8 0 "[ . 1 . 2]" 1
456 1 21 SER HA 1 22 GLU HA . . 4.870 4.582 4.448 4.750 . 0 0 "[ . 1 . 2]" 1
457 1 21 SER HA 1 23 GLN H . . 4.340 4.023 3.667 4.437 0.097 19 0 "[ . 1 . 2]" 1
458 1 21 SER HB3 1 22 GLU H . . 4.480 3.425 1.950 4.436 . 0 0 "[ . 1 . 2]" 1
459 1 21 SER HB3 1 23 GLN H . . 5.500 4.906 4.182 5.538 0.038 10 0 "[ . 1 . 2]" 1
460 1 22 GLU H 1 22 GLU HB2 . . 3.960 3.060 2.235 3.749 . 0 0 "[ . 1 . 2]" 1
461 1 22 GLU H 1 22 GLU HB3 . . 3.820 3.377 2.624 4.044 0.224 6 0 "[ . 1 . 2]" 1
462 1 22 GLU H 1 22 GLU HG2 . . 4.340 3.181 1.941 4.430 0.090 3 0 "[ . 1 . 2]" 1
463 1 22 GLU H 1 22 GLU HG3 . . 4.440 3.783 2.893 4.327 . 0 0 "[ . 1 . 2]" 1
464 1 22 GLU H 1 23 GLN H . . 3.340 2.765 2.199 3.247 . 0 0 "[ . 1 . 2]" 1
465 1 22 GLU HA 1 22 GLU HG2 . . 4.060 3.125 1.990 3.732 . 0 0 "[ . 1 . 2]" 1
466 1 22 GLU HA 1 22 GLU HG3 . . 4.000 3.217 2.110 4.129 0.129 12 0 "[ . 1 . 2]" 1
467 1 22 GLU HA 1 23 GLN HA . . 5.110 4.589 4.366 4.879 . 0 0 "[ . 1 . 2]" 1
468 1 22 GLU HA 1 57 GLY HA2 . . 5.110 4.174 3.749 4.566 . 0 0 "[ . 1 . 2]" 1
469 1 22 GLU HA 1 58 TRP H . . 5.500 4.301 4.031 4.633 . 0 0 "[ . 1 . 2]" 1
470 1 22 GLU HA 1 58 TRP HD1 . . 4.870 4.341 3.910 4.838 . 0 0 "[ . 1 . 2]" 1
471 1 22 GLU HB2 1 58 TRP HD1 . . 3.590 3.111 2.067 3.838 0.248 6 0 "[ . 1 . 2]" 1
472 1 22 GLU HB2 1 58 TRP HE1 . . 5.030 4.779 3.815 5.469 0.439 10 0 "[ . 1 . 2]" 1
473 1 22 GLU HB3 1 58 TRP HD1 . . 3.780 2.832 2.030 3.841 0.061 20 0 "[ . 1 . 2]" 1
474 1 22 GLU HB3 1 58 TRP HE1 . . 5.450 4.504 3.773 5.373 . 0 0 "[ . 1 . 2]" 1
475 1 22 GLU HG2 1 58 TRP HD1 . . 4.440 4.184 3.370 4.525 0.085 1 0 "[ . 1 . 2]" 1
476 1 22 GLU HG3 1 58 TRP HD1 . . 4.550 3.812 2.389 4.569 0.019 19 0 "[ . 1 . 2]" 1
477 1 23 GLN H 1 23 GLN HB2 . . 3.370 2.314 2.053 2.564 . 0 0 "[ . 1 . 2]" 1
478 1 23 GLN H 1 23 GLN HB3 . . 3.940 3.528 3.339 3.686 . 0 0 "[ . 1 . 2]" 1
479 1 23 GLN H 1 23 GLN QG . . 3.580 3.187 2.282 3.694 0.114 13 0 "[ . 1 . 2]" 1
480 1 23 GLN H 1 24 LEU H . . 5.170 4.584 4.433 4.673 . 0 0 "[ . 1 . 2]" 1
481 1 23 GLN HA 1 23 GLN QG . . 3.290 2.192 2.007 2.464 . 0 0 "[ . 1 . 2]" 1
482 1 23 GLN HA 1 24 LEU H . . 3.150 2.425 2.308 2.613 . 0 0 "[ . 1 . 2]" 1
483 1 23 GLN HA 1 24 LEU HB3 . . 5.110 4.289 4.157 4.377 . 0 0 "[ . 1 . 2]" 1
484 1 23 GLN HA 1 57 GLY HA2 . . 4.550 4.483 4.291 4.566 0.016 13 0 "[ . 1 . 2]" 1
485 1 23 GLN HA 1 57 GLY HA3 . . 4.340 3.612 3.395 3.802 . 0 0 "[ . 1 . 2]" 1
486 1 23 GLN HA 1 58 TRP H . . 3.150 2.179 1.942 2.427 . 0 0 "[ . 1 . 2]" 1
487 1 23 GLN HA 1 58 TRP HB2 . . 4.000 2.914 2.496 3.247 . 0 0 "[ . 1 . 2]" 1
488 1 23 GLN HA 1 58 TRP HB3 . . 4.550 4.186 3.824 4.457 . 0 0 "[ . 1 . 2]" 1
489 1 23 GLN HA 1 58 TRP HD1 . . 4.870 4.515 4.188 4.837 . 0 0 "[ . 1 . 2]" 1
490 1 23 GLN HB2 1 23 GLN HE22 . . 5.500 4.024 3.537 4.632 . 0 0 "[ . 1 . 2]" 1
491 1 23 GLN HB2 1 24 LEU H . . 4.150 3.992 3.626 4.181 0.031 12 0 "[ . 1 . 2]" 1
492 1 23 GLN HB3 1 23 GLN HE22 . . 5.470 4.672 3.716 5.305 . 0 0 "[ . 1 . 2]" 1
493 1 23 GLN HB3 1 24 LEU H . . 3.650 2.704 2.223 3.002 . 0 0 "[ . 1 . 2]" 1
494 1 23 GLN HB3 1 58 TRP H . . 5.110 4.747 4.364 5.106 . 0 0 "[ . 1 . 2]" 1
495 1 23 GLN HE21 1 42 TRP HH2 . . 4.610 3.374 2.745 4.619 0.009 19 0 "[ . 1 . 2]" 1
496 1 23 GLN HE21 1 42 TRP HZ3 . . 5.060 4.043 3.183 5.070 0.010 19 0 "[ . 1 . 2]" 1
497 1 23 GLN HE22 1 42 TRP HZ3 . . 5.500 5.174 4.486 5.503 0.003 2 0 "[ . 1 . 2]" 1
498 1 23 GLN QG 1 24 LEU H . . 4.120 3.524 2.798 3.869 . 0 0 "[ . 1 . 2]" 1
499 1 23 GLN QG 1 42 TRP HH2 . . 4.870 2.908 2.565 3.153 . 0 0 "[ . 1 . 2]" 1
500 1 23 GLN QG 1 42 TRP HZ2 . . 4.730 4.702 4.540 4.779 0.049 19 0 "[ . 1 . 2]" 1
501 1 23 GLN QG 1 42 TRP HZ3 . . 4.210 2.120 1.940 2.427 . 0 0 "[ . 1 . 2]" 1
502 1 23 GLN QG 1 58 TRP H . . 4.510 3.853 3.644 4.301 . 0 0 "[ . 1 . 2]" 1
503 1 23 GLN QG 1 58 TRP HB2 . . 4.000 3.261 2.791 3.948 . 0 0 "[ . 1 . 2]" 1
504 1 23 GLN QG 1 58 TRP HB3 . . 4.550 4.127 3.655 4.531 . 0 0 "[ . 1 . 2]" 1
505 1 24 LEU H 1 24 LEU HB2 . . 3.660 3.300 3.169 3.475 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU H 1 24 LEU HB3 . . 3.730 2.523 2.439 2.693 . 0 0 "[ . 1 . 2]" 1
507 1 24 LEU H 1 24 LEU MD1 . . 4.850 4.304 4.260 4.372 . 0 0 "[ . 1 . 2]" 1
508 1 24 LEU H 1 24 LEU MD2 . . 4.850 4.463 4.378 4.588 . 0 0 "[ . 1 . 2]" 1
509 1 24 LEU H 1 24 LEU HG . . 4.260 4.182 4.007 4.262 0.002 11 0 "[ . 1 . 2]" 1
510 1 24 LEU H 1 25 SER H . . 5.170 4.351 4.216 4.412 . 0 0 "[ . 1 . 2]" 1
511 1 24 LEU H 1 26 LEU MD2 . . 5.500 4.524 4.362 4.735 . 0 0 "[ . 1 . 2]" 1
512 1 24 LEU H 1 57 GLY HA2 . . 5.450 5.063 4.789 5.464 0.014 19 0 "[ . 1 . 2]" 1
513 1 24 LEU H 1 57 GLY HA3 . . 4.760 3.609 3.300 4.053 . 0 0 "[ . 1 . 2]" 1
514 1 24 LEU H 1 58 TRP H . . 4.220 3.415 3.162 3.773 . 0 0 "[ . 1 . 2]" 1
515 1 24 LEU H 1 58 TRP HB2 . . 5.340 4.672 4.349 4.967 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU H 1 59 PHE HA . . 5.340 3.433 3.158 3.624 . 0 0 "[ . 1 . 2]" 1
517 1 24 LEU H 1 59 PHE HB2 . . 5.470 4.166 3.993 4.260 . 0 0 "[ . 1 . 2]" 1
518 1 24 LEU H 1 59 PHE HB3 . . 4.510 2.888 2.759 3.096 . 0 0 "[ . 1 . 2]" 1
519 1 24 LEU H 1 59 PHE QD . . 5.250 4.315 4.096 4.606 . 0 0 "[ . 1 . 2]" 1
520 1 24 LEU HA 1 24 LEU MD1 . . 3.330 2.135 1.964 2.328 . 0 0 "[ . 1 . 2]" 1
521 1 24 LEU HA 1 25 SER H . . 3.050 2.204 2.189 2.216 . 0 0 "[ . 1 . 2]" 1
522 1 24 LEU HB2 1 24 LEU MD1 . . 3.520 2.464 2.387 2.510 . 0 0 "[ . 1 . 2]" 1
523 1 24 LEU HB2 1 24 LEU MD2 . . 3.270 2.326 2.278 2.421 . 0 0 "[ . 1 . 2]" 1
524 1 24 LEU HB2 1 25 SER H . . 4.200 4.107 3.975 4.171 . 0 0 "[ . 1 . 2]" 1
525 1 24 LEU HB2 1 56 LYS HA . . 5.110 3.737 3.476 4.096 . 0 0 "[ . 1 . 2]" 1
526 1 24 LEU HB2 1 57 GLY H . . 3.760 2.662 2.502 2.924 . 0 0 "[ . 1 . 2]" 1
527 1 24 LEU HB2 1 57 GLY HA2 . . 4.870 3.516 3.463 3.621 . 0 0 "[ . 1 . 2]" 1
528 1 24 LEU HB2 1 57 GLY HA3 . . 4.550 2.031 1.985 2.113 . 0 0 "[ . 1 . 2]" 1
529 1 24 LEU HB2 1 59 PHE HB3 . . 4.440 4.280 4.103 4.415 . 0 0 "[ . 1 . 2]" 1
530 1 24 LEU HB2 1 59 PHE QD . . 4.000 4.014 3.881 4.055 0.055 20 0 "[ . 1 . 2]" 1
531 1 24 LEU HB3 1 24 LEU MD1 . . 3.350 3.219 3.216 3.223 . 0 0 "[ . 1 . 2]" 1
532 1 24 LEU HB3 1 24 LEU MD2 . . 3.460 2.359 2.220 2.422 . 0 0 "[ . 1 . 2]" 1
533 1 24 LEU HB3 1 25 SER H . . 4.600 4.378 4.333 4.443 . 0 0 "[ . 1 . 2]" 1
534 1 24 LEU HB3 1 26 LEU MD2 . . 4.060 3.452 3.248 3.704 . 0 0 "[ . 1 . 2]" 1
535 1 24 LEU HB3 1 56 LYS HA . . 5.110 4.752 4.460 5.117 0.007 19 0 "[ . 1 . 2]" 1
536 1 24 LEU HB3 1 57 GLY H . . 4.720 3.323 3.040 3.604 . 0 0 "[ . 1 . 2]" 1
537 1 24 LEU HB3 1 57 GLY HA2 . . 4.440 4.407 4.149 4.464 0.024 5 0 "[ . 1 . 2]" 1
538 1 24 LEU HB3 1 57 GLY HA3 . . 4.000 3.072 2.853 3.180 . 0 0 "[ . 1 . 2]" 1
539 1 24 LEU HB3 1 58 TRP H . . 5.340 3.940 3.617 4.368 . 0 0 "[ . 1 . 2]" 1
540 1 24 LEU HB3 1 59 PHE HB2 . . 5.110 4.254 4.082 4.402 . 0 0 "[ . 1 . 2]" 1
541 1 24 LEU HB3 1 59 PHE HB3 . . 4.440 2.560 2.375 2.714 . 0 0 "[ . 1 . 2]" 1
542 1 24 LEU HB3 1 59 PHE QD . . 4.340 2.554 2.466 2.671 . 0 0 "[ . 1 . 2]" 1
543 1 24 LEU MD1 1 25 SER H . . 3.790 1.953 1.908 2.079 . 0 0 "[ . 1 . 2]" 1
544 1 24 LEU MD1 1 25 SER HB3 . . 4.180 4.345 3.902 4.798 0.618 10 6 "[ * ** + . - *2]" 1
545 1 24 LEU MD1 1 26 LEU MD2 . . 3.950 3.576 3.151 3.922 . 0 0 "[ . 1 . 2]" 1
546 1 24 LEU MD1 1 32 ILE MD . . 4.120 3.845 3.308 4.105 . 0 0 "[ . 1 . 2]" 1
547 1 24 LEU MD1 1 46 GLU HA . . 4.440 4.352 4.073 4.529 0.089 19 0 "[ . 1 . 2]" 1
548 1 24 LEU MD1 1 47 LEU H . . 4.260 3.583 3.323 3.886 . 0 0 "[ . 1 . 2]" 1
549 1 24 LEU MD1 1 47 LEU HA . . 4.870 4.762 4.590 4.931 0.061 16 0 "[ . 1 . 2]" 1
550 1 24 LEU MD1 1 47 LEU HB3 . . 4.120 4.029 3.662 4.155 0.035 11 0 "[ . 1 . 2]" 1
551 1 24 LEU MD1 1 55 GLN H . . 5.500 4.530 4.365 4.684 . 0 0 "[ . 1 . 2]" 1
552 1 24 LEU MD1 1 55 GLN HA . . 4.690 3.223 2.754 3.568 . 0 0 "[ . 1 . 2]" 1
553 1 24 LEU MD1 1 55 GLN HB2 . . 3.830 3.146 2.972 3.299 . 0 0 "[ . 1 . 2]" 1
554 1 24 LEU MD1 1 55 GLN HB3 . . 3.500 1.787 1.755 1.866 . 0 0 "[ . 1 . 2]" 1
555 1 24 LEU MD1 1 55 GLN HG2 . . 5.110 2.463 2.201 3.392 . 0 0 "[ . 1 . 2]" 1
556 1 24 LEU MD1 1 55 GLN HG3 . . 4.340 2.976 2.118 3.700 . 0 0 "[ . 1 . 2]" 1
557 1 24 LEU MD1 1 56 LYS H . . 4.340 2.819 2.449 3.451 . 0 0 "[ . 1 . 2]" 1
558 1 24 LEU MD1 1 56 LYS HA . . 3.910 3.405 3.109 3.692 . 0 0 "[ . 1 . 2]" 1
559 1 24 LEU MD1 1 57 GLY H . . 3.950 3.841 3.689 3.954 0.004 10 0 "[ . 1 . 2]" 1
560 1 24 LEU MD1 1 57 GLY HA2 . . 5.110 5.094 5.022 5.162 0.052 16 0 "[ . 1 . 2]" 1
561 1 24 LEU MD1 1 57 GLY HA3 . . 4.690 3.935 3.824 4.050 . 0 0 "[ . 1 . 2]" 1
562 1 24 LEU MD1 1 59 PHE HB3 . . 5.110 4.787 4.486 5.010 . 0 0 "[ . 1 . 2]" 1
563 1 24 LEU MD2 1 25 SER H . . 4.550 4.555 4.484 4.636 0.086 13 0 "[ . 1 . 2]" 1
564 1 24 LEU MD2 1 26 LEU MD2 . . 3.350 2.789 2.438 3.095 . 0 0 "[ . 1 . 2]" 1
565 1 24 LEU MD2 1 32 ILE MD . . 3.730 2.705 2.435 3.114 . 0 0 "[ . 1 . 2]" 1
566 1 24 LEU MD2 1 45 GLY H . . 4.440 3.287 3.009 3.709 . 0 0 "[ . 1 . 2]" 1
567 1 24 LEU MD2 1 45 GLY HA3 . . 4.870 4.106 3.896 4.437 . 0 0 "[ . 1 . 2]" 1
568 1 24 LEU MD2 1 46 GLU HA . . 4.120 2.809 2.669 3.045 . 0 0 "[ . 1 . 2]" 1
569 1 24 LEU MD2 1 46 GLU QG . . 4.550 4.058 3.575 4.325 . 0 0 "[ . 1 . 2]" 1
570 1 24 LEU MD2 1 47 LEU H . . 4.180 2.567 2.201 3.132 . 0 0 "[ . 1 . 2]" 1
571 1 24 LEU MD2 1 47 LEU HA . . 4.690 3.761 3.514 4.177 . 0 0 "[ . 1 . 2]" 1
572 1 24 LEU MD2 1 47 LEU HB2 . . 4.260 2.801 2.372 3.305 . 0 0 "[ . 1 . 2]" 1
573 1 24 LEU MD2 1 47 LEU HB3 . . 4.260 4.236 3.968 4.311 0.051 19 0 "[ . 1 . 2]" 1
574 1 24 LEU MD2 1 55 GLN H . . 5.500 5.186 4.665 5.500 0.000 15 0 "[ . 1 . 2]" 1
575 1 24 LEU MD2 1 55 GLN HA . . 5.110 4.510 4.020 4.731 . 0 0 "[ . 1 . 2]" 1
576 1 24 LEU MD2 1 55 GLN HB2 . . 4.340 3.970 3.619 4.361 0.021 17 0 "[ . 1 . 2]" 1
577 1 24 LEU MD2 1 55 GLN HB3 . . 4.000 2.727 2.425 3.017 . 0 0 "[ . 1 . 2]" 1
578 1 24 LEU MD2 1 55 GLN HG2 . . 5.110 4.476 4.194 5.114 0.004 18 0 "[ . 1 . 2]" 1
579 1 24 LEU MD2 1 55 GLN HG3 . . 4.550 4.858 4.236 5.174 0.624 11 7 "[* . -*+ ** *2]" 1
580 1 24 LEU MD2 1 56 LYS H . . 4.550 3.749 3.491 4.213 . 0 0 "[ . 1 . 2]" 1
581 1 24 LEU MD2 1 56 LYS HA . . 3.830 2.363 1.971 2.704 . 0 0 "[ . 1 . 2]" 1
582 1 24 LEU MD2 1 57 GLY H . . 3.790 2.081 1.938 2.234 . 0 0 "[ . 1 . 2]" 1
583 1 24 LEU MD2 1 57 GLY HA2 . . 5.110 4.355 4.261 4.445 . 0 0 "[ . 1 . 2]" 1
584 1 24 LEU MD2 1 57 GLY HA3 . . 4.340 3.652 3.502 3.781 . 0 0 "[ . 1 . 2]" 1
585 1 24 LEU MD2 1 59 PHE QD . . 3.730 2.351 1.955 2.744 . 0 0 "[ . 1 . 2]" 1
586 1 24 LEU HG 1 25 SER H . . 4.420 3.402 3.204 3.630 . 0 0 "[ . 1 . 2]" 1
587 1 24 LEU HG 1 26 LEU MD2 . . 3.790 2.354 1.974 2.699 . 0 0 "[ . 1 . 2]" 1
588 1 24 LEU HG 1 59 PHE HB3 . . 5.110 3.544 3.025 3.933 . 0 0 "[ . 1 . 2]" 1
589 1 24 LEU HG 1 59 PHE QD . . 4.870 3.420 3.036 3.802 . 0 0 "[ . 1 . 2]" 1
590 1 25 SER H 1 25 SER HB2 . . 3.870 3.141 2.495 3.571 . 0 0 "[ . 1 . 2]" 1
591 1 25 SER H 1 25 SER HB3 . . 3.330 2.941 2.307 3.577 0.247 10 0 "[ . 1 . 2]" 1
592 1 25 SER H 1 26 LEU H . . 5.090 4.600 4.530 4.654 . 0 0 "[ . 1 . 2]" 1
593 1 25 SER H 1 26 LEU MD2 . . 5.500 4.580 4.374 4.763 . 0 0 "[ . 1 . 2]" 1
594 1 25 SER HB2 1 26 LEU H . . 3.640 3.558 2.901 4.208 0.568 13 2 "[ - . 1 + . 2]" 1
595 1 25 SER HB3 1 26 LEU H . . 4.340 3.790 2.752 4.360 0.020 11 0 "[ . 1 . 2]" 1
596 1 26 LEU H 1 26 LEU HB2 . . 3.610 2.692 2.614 2.766 . 0 0 "[ . 1 . 2]" 1
597 1 26 LEU H 1 26 LEU MD1 . . 4.690 3.756 3.574 3.976 . 0 0 "[ . 1 . 2]" 1
598 1 26 LEU H 1 26 LEU MD2 . . 4.550 3.562 3.417 3.767 . 0 0 "[ . 1 . 2]" 1
599 1 26 LEU H 1 26 LEU HG . . 4.260 2.512 2.290 2.840 . 0 0 "[ . 1 . 2]" 1
600 1 26 LEU H 1 27 ALA H . . 5.170 4.516 4.411 4.574 . 0 0 "[ . 1 . 2]" 1
601 1 26 LEU H 1 27 ALA HA . . 5.500 4.956 4.768 5.092 . 0 0 "[ . 1 . 2]" 1
602 1 26 LEU H 1 27 ALA MB . . 5.500 4.914 4.733 5.042 . 0 0 "[ . 1 . 2]" 1
603 1 26 LEU HA 1 26 LEU MD1 . . 4.260 3.949 3.904 3.987 . 0 0 "[ . 1 . 2]" 1
604 1 26 LEU HA 1 26 LEU MD2 . . 3.140 2.193 1.967 2.439 . 0 0 "[ . 1 . 2]" 1
605 1 26 LEU HA 1 27 ALA H . . 3.030 2.318 2.258 2.432 . 0 0 "[ . 1 . 2]" 1
606 1 26 LEU HA 1 27 ALA MB . . 4.550 3.765 3.704 3.808 . 0 0 "[ . 1 . 2]" 1
607 1 26 LEU HB2 1 26 LEU MD1 . . 3.570 2.273 2.185 2.332 . 0 0 "[ . 1 . 2]" 1
608 1 26 LEU HB2 1 27 ALA H . . 4.510 3.786 3.518 3.971 . 0 0 "[ . 1 . 2]" 1
609 1 26 LEU HB2 1 59 PHE HB2 . . 4.690 4.671 4.583 4.760 0.070 12 0 "[ . 1 . 2]" 1
610 1 26 LEU HB2 1 64 VAL MG1 . . 4.690 3.895 3.727 4.044 . 0 0 "[ . 1 . 2]" 1
611 1 26 LEU HB3 1 26 LEU MD1 . . 3.290 2.424 2.344 2.484 . 0 0 "[ . 1 . 2]" 1
612 1 26 LEU HB3 1 26 LEU MD2 . . 3.090 2.338 2.174 2.430 . 0 0 "[ . 1 . 2]" 1
613 1 26 LEU HB3 1 27 ALA H . . 4.100 2.892 2.625 3.071 . 0 0 "[ . 1 . 2]" 1
614 1 26 LEU HB3 1 64 VAL MG1 . . 4.260 3.035 2.914 3.251 . 0 0 "[ . 1 . 2]" 1
615 1 26 LEU MD1 1 27 ALA H . . 5.500 4.890 4.665 5.019 . 0 0 "[ . 1 . 2]" 1
616 1 26 LEU MD1 1 59 PHE HB2 . . 3.520 1.922 1.842 2.000 . 0 0 "[ . 1 . 2]" 1
617 1 26 LEU MD1 1 59 PHE HB3 . . 3.910 3.232 3.070 3.368 . 0 0 "[ . 1 . 2]" 1
618 1 26 LEU MD1 1 59 PHE QD . . 3.790 2.087 1.938 2.269 . 0 0 "[ . 1 . 2]" 1
619 1 26 LEU MD1 1 59 PHE QE . . 4.500 3.431 3.119 3.560 . 0 0 "[ . 1 . 2]" 1
620 1 26 LEU MD1 1 60 PRO HD2 . . 4.340 1.994 1.922 2.344 . 0 0 "[ . 1 . 2]" 1
621 1 26 LEU MD1 1 63 HIS H . . 4.870 3.602 3.452 3.806 . 0 0 "[ . 1 . 2]" 1
622 1 26 LEU MD1 1 63 HIS HB2 . . 3.690 2.090 1.900 2.288 . 0 0 "[ . 1 . 2]" 1
623 1 26 LEU MD1 1 63 HIS HB3 . . 3.790 2.105 1.951 2.350 . 0 0 "[ . 1 . 2]" 1
624 1 26 LEU MD1 1 63 HIS HD2 . . 4.870 4.054 3.802 4.244 . 0 0 "[ . 1 . 2]" 1
625 1 26 LEU MD1 1 64 VAL H . . 5.500 3.920 3.612 4.188 . 0 0 "[ . 1 . 2]" 1
626 1 26 LEU MD1 1 64 VAL MG1 . . 3.290 2.115 1.837 2.304 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU MD2 1 27 ALA H . . 4.260 3.792 3.542 3.961 . 0 0 "[ . 1 . 2]" 1
628 1 26 LEU MD2 1 59 PHE HB2 . . 4.550 2.545 2.248 2.880 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU MD2 1 59 PHE HB3 . . 4.440 2.519 2.253 2.855 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU MD2 1 59 PHE QD . . 4.340 2.571 2.350 2.792 . 0 0 "[ . 1 . 2]" 1
631 1 26 LEU HG 1 59 PHE HB3 . . 5.470 3.385 3.313 3.460 . 0 0 "[ . 1 . 2]" 1
632 1 27 ALA H 1 27 ALA MB . . 3.130 2.552 2.492 2.660 . 0 0 "[ . 1 . 2]" 1
633 1 27 ALA H 1 28 PRO HD2 . . 5.500 5.000 4.976 5.013 . 0 0 "[ . 1 . 2]" 1
634 1 27 ALA H 1 28 PRO HD3 . . 5.110 4.567 4.471 4.618 . 0 0 "[ . 1 . 2]" 1
635 1 27 ALA H 1 30 GLN H . . 5.170 4.647 4.225 4.798 . 0 0 "[ . 1 . 2]" 1
636 1 27 ALA H 1 30 GLN HB2 . . 4.220 3.106 2.978 3.255 . 0 0 "[ . 1 . 2]" 1
637 1 27 ALA H 1 30 GLN HB3 . . 4.810 4.417 4.214 4.615 . 0 0 "[ . 1 . 2]" 1
638 1 27 ALA H 1 30 GLN HE21 . . 4.850 2.574 2.329 3.166 . 0 0 "[ . 1 . 2]" 1
639 1 27 ALA H 1 30 GLN HE22 . . 5.170 3.936 3.593 4.658 . 0 0 "[ . 1 . 2]" 1
640 1 27 ALA H 1 30 GLN HG3 . . 4.540 4.235 4.089 4.566 0.026 14 0 "[ . 1 . 2]" 1
641 1 27 ALA HA 1 28 PRO HD2 . . 3.180 2.541 2.499 2.586 . 0 0 "[ . 1 . 2]" 1
642 1 27 ALA HA 1 28 PRO HD3 . . 2.940 1.931 1.923 1.943 . 0 0 "[ . 1 . 2]" 1
643 1 27 ALA HA 1 28 PRO HG2 . . 4.690 4.517 4.490 4.547 . 0 0 "[ . 1 . 2]" 1
644 1 27 ALA HA 1 28 PRO HG3 . . 4.690 4.203 4.195 4.215 . 0 0 "[ . 1 . 2]" 1
645 1 27 ALA MB 1 28 PRO HA . . 5.110 4.397 4.386 4.407 . 0 0 "[ . 1 . 2]" 1
646 1 27 ALA MB 1 28 PRO HD2 . . 3.290 2.528 2.420 2.608 . 0 0 "[ . 1 . 2]" 1
647 1 27 ALA MB 1 28 PRO HD3 . . 3.590 3.212 3.141 3.274 . 0 0 "[ . 1 . 2]" 1
648 1 27 ALA MB 1 30 GLN H . . 4.720 4.136 3.645 4.250 . 0 0 "[ . 1 . 2]" 1
649 1 27 ALA MB 1 30 GLN HA . . 4.870 4.838 4.794 4.924 0.054 14 0 "[ . 1 . 2]" 1
650 1 27 ALA MB 1 30 GLN HB2 . . 4.120 2.998 2.777 3.139 . 0 0 "[ . 1 . 2]" 1
651 1 27 ALA MB 1 30 GLN HE21 . . 3.790 1.914 1.759 2.198 . 0 0 "[ . 1 . 2]" 1
652 1 27 ALA MB 1 30 GLN HE22 . . 4.060 2.636 2.361 3.101 . 0 0 "[ . 1 . 2]" 1
653 1 27 ALA MB 1 30 GLN HG2 . . 4.000 3.611 3.521 3.915 . 0 0 "[ . 1 . 2]" 1
654 1 27 ALA MB 1 30 GLN HG3 . . 3.430 2.085 2.006 2.375 . 0 0 "[ . 1 . 2]" 1
655 1 28 PRO HA 1 29 GLY H . . 2.750 2.156 2.153 2.160 . 0 0 "[ . 1 . 2]" 1
656 1 28 PRO HA 1 29 GLY HA3 . . 4.180 4.317 4.315 4.322 0.142 14 0 "[ . 1 . 2]" 1
657 1 28 PRO HA 1 30 GLN H . . 4.000 3.515 3.412 3.613 . 0 0 "[ . 1 . 2]" 1
658 1 28 PRO HB2 1 29 GLY H . . 3.950 3.942 3.910 3.975 0.025 14 0 "[ . 1 . 2]" 1
659 1 28 PRO HB2 1 29 GLY HA3 . . 4.440 4.468 4.447 4.531 0.091 14 0 "[ . 1 . 2]" 1
660 1 28 PRO HB3 1 29 GLY H . . 4.440 4.189 4.163 4.216 . 0 0 "[ . 1 . 2]" 1
661 1 29 GLY H 1 30 GLN H . . 3.640 1.958 1.893 2.052 . 0 0 "[ . 1 . 2]" 1
662 1 29 GLY H 1 30 GLN HG3 . . 5.500 4.581 4.460 4.749 . 0 0 "[ . 1 . 2]" 1
663 1 30 GLN H 1 30 GLN HB3 . . 3.850 3.658 3.597 3.703 . 0 0 "[ . 1 . 2]" 1
664 1 30 GLN H 1 30 GLN HG3 . . 3.380 3.319 3.034 3.391 0.011 16 0 "[ . 1 . 2]" 1
665 1 30 GLN H 1 31 LEU H . . 4.910 4.456 4.412 4.539 . 0 0 "[ . 1 . 2]" 1
666 1 30 GLN HA 1 30 GLN HG2 . . 3.240 2.206 2.155 2.266 . 0 0 "[ . 1 . 2]" 1
667 1 30 GLN HA 1 30 GLN HG3 . . 3.570 3.167 3.076 3.232 . 0 0 "[ . 1 . 2]" 1
668 1 30 GLN HA 1 31 LEU H . . 2.810 2.633 2.362 2.712 . 0 0 "[ . 1 . 2]" 1
669 1 30 GLN HA 1 31 LEU HA . . 4.870 4.475 4.379 4.514 . 0 0 "[ . 1 . 2]" 1
670 1 30 GLN HA 1 31 LEU HB2 . . 4.870 4.520 4.363 4.648 . 0 0 "[ . 1 . 2]" 1
671 1 30 GLN HA 1 31 LEU MD2 . . 5.110 4.331 2.517 4.861 . 0 0 "[ . 1 . 2]" 1
672 1 30 GLN HA 1 31 LEU HG . . 4.550 3.642 3.356 4.706 0.156 14 0 "[ . 1 . 2]" 1
673 1 30 GLN HA 1 47 LEU QD . . 4.180 4.049 3.819 4.125 . 0 0 "[ . 1 . 2]" 1
674 1 30 GLN HB2 1 30 GLN HE21 . . 3.440 2.328 2.158 2.539 . 0 0 "[ . 1 . 2]" 1
675 1 30 GLN HB2 1 31 LEU H . . 4.280 3.561 3.422 3.989 . 0 0 "[ . 1 . 2]" 1
676 1 30 GLN HB2 1 32 ILE MD . . 4.180 3.801 3.612 4.047 . 0 0 "[ . 1 . 2]" 1
677 1 30 GLN HB2 1 47 LEU QD . . 3.870 3.053 2.586 3.323 . 0 0 "[ . 1 . 2]" 1
678 1 30 GLN HB3 1 30 GLN HE21 . . 3.790 2.898 2.673 3.154 . 0 0 "[ . 1 . 2]" 1
679 1 30 GLN HB3 1 30 GLN HE22 . . 5.500 3.695 3.592 3.819 . 0 0 "[ . 1 . 2]" 1
680 1 30 GLN HB3 1 31 LEU H . . 3.100 2.187 2.024 2.803 . 0 0 "[ . 1 . 2]" 1
681 1 30 GLN HB3 1 32 ILE MD . . 3.870 3.888 3.848 3.931 0.061 14 0 "[ . 1 . 2]" 1
682 1 30 GLN HB3 1 47 LEU QD . . 3.060 2.004 1.820 2.118 . 0 0 "[ . 1 . 2]" 1
683 1 30 GLN HB3 1 49 ALA MB . . 3.360 2.895 2.215 3.388 0.028 16 0 "[ . 1 . 2]" 1
684 1 30 GLN HE21 1 32 ILE MD . . 5.110 4.091 3.885 4.556 . 0 0 "[ . 1 . 2]" 1
685 1 30 GLN HE21 1 47 LEU QD . . 4.180 2.551 2.347 2.798 . 0 0 "[ . 1 . 2]" 1
686 1 30 GLN HE21 1 49 ALA MB . . 4.870 4.284 3.751 4.879 0.009 15 0 "[ . 1 . 2]" 1
687 1 30 GLN HE22 1 47 LEU QD . . 4.180 1.892 1.829 1.981 . 0 0 "[ . 1 . 2]" 1
688 1 30 GLN HE22 1 49 ALA MB . . 5.110 3.818 3.461 4.346 . 0 0 "[ . 1 . 2]" 1
689 1 30 GLN HG2 1 31 LEU H . . 4.540 3.851 3.706 4.062 . 0 0 "[ . 1 . 2]" 1
690 1 30 GLN HG2 1 47 LEU QD . . 3.950 3.553 3.431 3.655 . 0 0 "[ . 1 . 2]" 1
691 1 30 GLN HG2 1 49 ALA MB . . 4.870 3.037 2.498 3.624 . 0 0 "[ . 1 . 2]" 1
692 1 30 GLN HG3 1 31 LEU H . . 5.030 4.791 4.702 5.090 0.060 14 0 "[ . 1 . 2]" 1
693 1 30 GLN HG3 1 47 LEU QD . . 4.550 3.787 3.553 3.950 . 0 0 "[ . 1 . 2]" 1
694 1 31 LEU H 1 31 LEU HB2 . . 3.430 2.634 2.433 2.746 . 0 0 "[ . 1 . 2]" 1
695 1 31 LEU H 1 31 LEU HB3 . . 3.910 3.747 3.625 3.818 . 0 0 "[ . 1 . 2]" 1
696 1 31 LEU H 1 31 LEU MD1 . . 4.260 4.216 4.090 4.310 0.050 14 0 "[ . 1 . 2]" 1
697 1 31 LEU H 1 31 LEU MD2 . . 4.180 3.874 2.315 4.136 . 0 0 "[ . 1 . 2]" 1
698 1 31 LEU H 1 31 LEU HG . . 3.520 3.267 3.099 3.533 0.013 14 0 "[ . 1 . 2]" 1
699 1 31 LEU H 1 32 ILE H . . 4.960 4.410 4.322 4.546 . 0 0 "[ . 1 . 2]" 1
700 1 31 LEU H 1 32 ILE MD . . 5.500 4.638 4.477 4.931 . 0 0 "[ . 1 . 2]" 1
701 1 31 LEU H 1 47 LEU QD . . 3.940 2.897 2.390 3.402 . 0 0 "[ . 1 . 2]" 1
702 1 31 LEU H 1 48 GLN H . . 5.250 3.797 3.436 4.151 . 0 0 "[ . 1 . 2]" 1
703 1 31 LEU HA 1 31 LEU MD1 . . 4.260 3.809 2.931 3.903 . 0 0 "[ . 1 . 2]" 1
704 1 31 LEU HA 1 31 LEU MD2 . . 2.920 2.082 1.965 2.212 . 0 0 "[ . 1 . 2]" 1
705 1 31 LEU HA 1 31 LEU HG . . 4.060 3.057 2.862 3.759 . 0 0 "[ . 1 . 2]" 1
706 1 31 LEU HA 1 32 ILE H . . 2.880 2.275 2.224 2.366 . 0 0 "[ . 1 . 2]" 1
707 1 31 LEU HA 1 32 ILE HA . . 5.110 4.410 4.386 4.434 . 0 0 "[ . 1 . 2]" 1
708 1 31 LEU HA 1 32 ILE HB . . 4.550 4.176 4.117 4.226 . 0 0 "[ . 1 . 2]" 1
709 1 31 LEU HA 1 32 ILE MD . . 4.690 4.418 3.959 4.567 . 0 0 "[ . 1 . 2]" 1
710 1 31 LEU HA 1 32 ILE QG . . 4.180 4.151 4.048 4.218 0.038 19 0 "[ . 1 . 2]" 1
711 1 31 LEU HA 1 48 GLN H . . 5.500 4.763 4.640 4.897 . 0 0 "[ . 1 . 2]" 1
712 1 31 LEU HB2 1 31 LEU MD1 . . 3.190 2.355 2.179 2.991 . 0 0 "[ . 1 . 2]" 1
713 1 31 LEU HB2 1 32 ILE H . . 4.340 4.103 3.865 4.224 . 0 0 "[ . 1 . 2]" 1
714 1 31 LEU HB2 1 48 GLN HB2 . . 3.870 2.612 2.190 2.906 . 0 0 "[ . 1 . 2]" 1
715 1 31 LEU HB2 1 48 GLN HB3 . . 4.120 3.795 3.283 4.115 . 0 0 "[ . 1 . 2]" 1
716 1 31 LEU HB3 1 31 LEU MD1 . . 3.180 2.336 2.033 2.468 . 0 0 "[ . 1 . 2]" 1
717 1 31 LEU HB3 1 31 LEU MD2 . . 3.290 2.385 2.302 3.071 . 0 0 "[ . 1 . 2]" 1
718 1 31 LEU HB3 1 32 ILE H . . 3.950 2.999 2.719 3.186 . 0 0 "[ . 1 . 2]" 1
719 1 31 LEU HB3 1 48 GLN H . . 5.450 4.417 4.216 4.809 . 0 0 "[ . 1 . 2]" 1
720 1 31 LEU HB3 1 48 GLN HB2 . . 4.550 2.984 2.654 3.292 . 0 0 "[ . 1 . 2]" 1
721 1 31 LEU HB3 1 48 GLN HB3 . . 4.690 4.317 3.953 4.698 0.008 17 0 "[ . 1 . 2]" 1
722 1 31 LEU HB3 1 48 GLN QG . . 4.440 3.847 3.094 4.252 . 0 0 "[ . 1 . 2]" 1
723 1 31 LEU MD1 1 32 ILE H . . 5.110 4.795 3.750 5.007 . 0 0 "[ . 1 . 2]" 1
724 1 31 LEU MD1 1 48 GLN HB3 . . 4.690 4.416 4.026 5.375 0.685 14 1 "[ . 1 +. 2]" 1
725 1 31 LEU MD1 1 48 GLN QG . . 4.870 4.669 4.275 4.896 0.026 11 0 "[ . 1 . 2]" 1
726 1 31 LEU MD2 1 32 ILE H . . 3.790 3.325 2.848 4.024 0.234 14 0 "[ . 1 . 2]" 1
727 1 32 ILE H 1 32 ILE HB . . 3.460 2.607 2.522 2.660 . 0 0 "[ . 1 . 2]" 1
728 1 32 ILE H 1 32 ILE MD . . 4.550 3.912 3.729 4.092 . 0 0 "[ . 1 . 2]" 1
729 1 32 ILE H 1 32 ILE QG . . 3.540 3.479 3.404 3.549 0.009 9 0 "[ . 1 . 2]" 1
730 1 32 ILE H 1 32 ILE MG . . 3.950 3.653 3.603 3.716 . 0 0 "[ . 1 . 2]" 1
731 1 32 ILE H 1 33 LEU H . . 4.960 4.400 4.332 4.456 . 0 0 "[ . 1 . 2]" 1
732 1 32 ILE H 1 48 GLN QG . . 5.030 4.235 3.383 4.482 . 0 0 "[ . 1 . 2]" 1
733 1 32 ILE HA 1 32 ILE MD . . 4.260 3.732 3.706 3.760 . 0 0 "[ . 1 . 2]" 1
734 1 32 ILE HA 1 32 ILE QG . . 3.830 2.223 2.205 2.260 . 0 0 "[ . 1 . 2]" 1
735 1 32 ILE HA 1 32 ILE MG . . 3.320 2.601 2.543 2.650 . 0 0 "[ . 1 . 2]" 1
736 1 32 ILE HA 1 33 LEU H . . 3.000 2.317 2.234 2.374 . 0 0 "[ . 1 . 2]" 1
737 1 32 ILE HA 1 33 LEU HB2 . . 4.440 4.236 4.077 4.408 . 0 0 "[ . 1 . 2]" 1
738 1 32 ILE HA 1 46 GLU H . . 5.030 4.283 4.050 4.526 . 0 0 "[ . 1 . 2]" 1
739 1 32 ILE HA 1 47 LEU H . . 5.340 4.569 4.325 4.699 . 0 0 "[ . 1 . 2]" 1
740 1 32 ILE HA 1 47 LEU HB2 . . 5.110 4.965 4.268 5.158 0.048 14 0 "[ . 1 . 2]" 1
741 1 32 ILE HA 1 48 GLN QG . . 4.550 2.641 1.989 2.935 . 0 0 "[ . 1 . 2]" 1
742 1 32 ILE HB 1 32 ILE MD . . 3.330 2.008 1.960 2.218 . 0 0 "[ . 1 . 2]" 1
743 1 32 ILE HB 1 33 LEU H . . 4.540 4.171 4.071 4.304 . 0 0 "[ . 1 . 2]" 1
744 1 32 ILE HB 1 59 PHE QE . . 5.060 4.080 3.651 4.229 . 0 0 "[ . 1 . 2]" 1
745 1 32 ILE MD 1 32 ILE MG . . 3.150 2.451 2.244 2.618 . 0 0 "[ . 1 . 2]" 1
746 1 32 ILE MD 1 33 LEU H . . 5.090 4.925 4.801 5.140 0.050 14 0 "[ . 1 . 2]" 1
747 1 32 ILE MD 1 34 ILE MD . . 4.690 4.572 4.483 4.735 0.045 15 0 "[ . 1 . 2]" 1
748 1 32 ILE MD 1 46 GLU H . . 5.500 5.539 5.513 5.579 0.079 16 0 "[ . 1 . 2]" 1
749 1 32 ILE MD 1 47 LEU H . . 5.110 4.624 4.394 4.873 . 0 0 "[ . 1 . 2]" 1
750 1 32 ILE MD 1 47 LEU HA . . 3.610 3.419 3.381 3.477 . 0 0 "[ . 1 . 2]" 1
751 1 32 ILE MD 1 47 LEU HB2 . . 4.550 3.911 2.971 4.263 . 0 0 "[ . 1 . 2]" 1
752 1 32 ILE MD 1 47 LEU HB3 . . 5.110 4.876 4.493 5.158 0.048 14 0 "[ . 1 . 2]" 1
753 1 32 ILE MD 1 47 LEU QD . . 3.480 2.687 1.902 3.209 . 0 0 "[ . 1 . 2]" 1
754 1 32 ILE MD 1 47 LEU HG . . 5.110 2.896 2.312 4.463 . 0 0 "[ . 1 . 2]" 1
755 1 32 ILE MD 1 48 GLN H . . 4.850 4.561 4.289 4.746 . 0 0 "[ . 1 . 2]" 1
756 1 32 ILE MD 1 59 PHE QE . . 4.120 3.502 3.303 3.622 . 0 0 "[ . 1 . 2]" 1
757 1 32 ILE MD 1 59 PHE HZ . . 4.690 4.029 3.757 4.204 . 0 0 "[ . 1 . 2]" 1
758 1 32 ILE QG 1 32 ILE MG . . 3.000 2.203 2.108 2.265 . 0 0 "[ . 1 . 2]" 1
759 1 32 ILE QG 1 46 GLU H . . 4.440 4.403 4.343 4.495 0.055 16 0 "[ . 1 . 2]" 1
760 1 32 ILE QG 1 47 LEU H . . 4.400 3.277 3.026 3.555 . 0 0 "[ . 1 . 2]" 1
761 1 32 ILE QG 1 47 LEU HA . . 3.320 1.786 1.755 1.826 . 0 0 "[ . 1 . 2]" 1
762 1 32 ILE QG 1 47 LEU HG . . 3.210 2.354 1.912 3.359 0.149 13 0 "[ . 1 . 2]" 1
763 1 32 ILE QG 1 48 GLN H . . 4.340 2.873 2.628 3.089 . 0 0 "[ . 1 . 2]" 1
764 1 32 ILE QG 1 48 GLN QG . . 4.460 4.204 3.714 4.360 . 0 0 "[ . 1 . 2]" 1
765 1 32 ILE QG 1 59 PHE QE . . 5.110 4.062 3.980 4.153 . 0 0 "[ . 1 . 2]" 1
766 1 32 ILE MG 1 33 LEU H . . 3.390 2.033 1.920 2.305 . 0 0 "[ . 1 . 2]" 1
767 1 32 ILE MG 1 33 LEU HB2 . . 4.540 4.408 4.243 4.578 0.038 17 0 "[ . 1 . 2]" 1
768 1 32 ILE MG 1 34 ILE H . . 5.340 3.850 3.659 4.255 . 0 0 "[ . 1 . 2]" 1
769 1 32 ILE MG 1 34 ILE HA . . 4.180 3.502 3.433 3.691 . 0 0 "[ . 1 . 2]" 1
770 1 32 ILE MG 1 34 ILE MD . . 3.330 2.424 2.276 2.564 . 0 0 "[ . 1 . 2]" 1
771 1 32 ILE MG 1 45 GLY HA2 . . 3.830 3.715 3.510 3.894 0.064 16 0 "[ . 1 . 2]" 1
772 1 32 ILE MG 1 45 GLY HA3 . . 3.240 2.448 2.255 2.652 . 0 0 "[ . 1 . 2]" 1
773 1 32 ILE MG 1 46 GLU H . . 3.390 2.493 2.166 2.700 . 0 0 "[ . 1 . 2]" 1
774 1 32 ILE MG 1 46 GLU HA . . 4.440 3.749 3.409 3.970 . 0 0 "[ . 1 . 2]" 1
775 1 32 ILE MG 1 47 LEU HA . . 4.120 3.413 3.239 3.548 . 0 0 "[ . 1 . 2]" 1
776 1 32 ILE MG 1 48 GLN H . . 5.250 4.371 4.142 4.724 . 0 0 "[ . 1 . 2]" 1
777 1 32 ILE MG 1 48 GLN QG . . 5.110 4.050 3.812 4.306 . 0 0 "[ . 1 . 2]" 1
778 1 32 ILE MG 1 59 PHE QE . . 3.460 1.925 1.833 2.004 . 0 0 "[ . 1 . 2]" 1
779 1 32 ILE MG 1 59 PHE HZ . . 3.690 2.601 2.400 2.765 . 0 0 "[ . 1 . 2]" 1
780 1 33 LEU H 1 33 LEU HB2 . . 3.310 2.735 2.536 2.910 . 0 0 "[ . 1 . 2]" 1
781 1 33 LEU H 1 33 LEU HB3 . . 3.570 2.581 2.401 2.775 . 0 0 "[ . 1 . 2]" 1
782 1 33 LEU H 1 33 LEU QD . . 4.280 3.757 3.524 3.830 . 0 0 "[ . 1 . 2]" 1
783 1 33 LEU H 1 33 LEU HG . . 4.550 4.509 4.396 4.692 0.142 17 0 "[ . 1 . 2]" 1
784 1 33 LEU H 1 34 ILE H . . 4.720 4.359 4.282 4.512 . 0 0 "[ . 1 . 2]" 1
785 1 33 LEU H 1 34 ILE MD . . 5.470 4.728 4.565 4.986 . 0 0 "[ . 1 . 2]" 1
786 1 33 LEU H 1 45 GLY HA2 . . 5.500 4.676 4.459 4.977 . 0 0 "[ . 1 . 2]" 1
787 1 33 LEU H 1 45 GLY HA3 . . 5.450 3.914 3.599 4.255 . 0 0 "[ . 1 . 2]" 1
788 1 33 LEU H 1 46 GLU H . . 3.740 2.359 2.217 2.573 . 0 0 "[ . 1 . 2]" 1
789 1 33 LEU H 1 46 GLU HA . . 5.250 4.364 4.178 4.452 . 0 0 "[ . 1 . 2]" 1
790 1 33 LEU H 1 46 GLU QB . . 4.510 3.582 3.420 3.749 . 0 0 "[ . 1 . 2]" 1
791 1 33 LEU H 1 47 LEU HA . . 4.570 3.816 3.519 3.961 . 0 0 "[ . 1 . 2]" 1
792 1 33 LEU H 1 48 GLN HE21 . . 5.500 3.236 2.332 3.909 . 0 0 "[ . 1 . 2]" 1
793 1 33 LEU H 1 48 GLN HE22 . . 4.640 4.825 3.395 5.474 0.834 13 5 "[** . 1 + .* -]" 1
794 1 33 LEU H 1 48 GLN QG . . 4.240 2.659 2.280 3.138 . 0 0 "[ . 1 . 2]" 1
795 1 33 LEU HB2 1 33 LEU QD . . 3.080 2.220 1.977 2.514 . 0 0 "[ . 1 . 2]" 1
796 1 33 LEU HB2 1 34 ILE H . . 4.550 4.459 4.254 4.564 0.014 19 0 "[ . 1 . 2]" 1
797 1 33 LEU HB2 1 46 GLU H . . 4.360 4.132 3.772 4.401 0.041 15 0 "[ . 1 . 2]" 1
798 1 33 LEU HB2 1 48 GLN HE21 . . 5.170 2.961 2.578 3.408 . 0 0 "[ . 1 . 2]" 1
799 1 33 LEU HB2 1 48 GLN HE22 . . 4.440 3.766 2.706 4.248 . 0 0 "[ . 1 . 2]" 1
800 1 33 LEU HB2 1 48 GLN QG . . 3.870 2.289 1.905 2.826 . 0 0 "[ . 1 . 2]" 1
801 1 33 LEU HB3 1 33 LEU QD . . 3.210 2.016 1.953 2.147 . 0 0 "[ . 1 . 2]" 1
802 1 33 LEU HB3 1 34 ILE H . . 4.870 4.326 4.214 4.418 . 0 0 "[ . 1 . 2]" 1
803 1 33 LEU HB3 1 46 GLU H . . 4.480 2.857 2.707 2.975 . 0 0 "[ . 1 . 2]" 1
804 1 33 LEU HB3 1 46 GLU QB . . 3.950 3.009 2.765 3.222 . 0 0 "[ . 1 . 2]" 1
805 1 33 LEU HB3 1 48 GLN HE21 . . 5.340 3.006 2.428 3.553 . 0 0 "[ . 1 . 2]" 1
806 1 33 LEU HB3 1 48 GLN HE22 . . 4.690 3.837 2.963 4.481 . 0 0 "[ . 1 . 2]" 1
807 1 33 LEU HB3 1 48 GLN QG . . 4.260 3.343 2.959 3.959 . 0 0 "[ . 1 . 2]" 1
808 1 33 LEU QD 1 34 ILE H . . 3.590 2.837 1.884 3.491 . 0 0 "[ . 1 . 2]" 1
809 1 33 LEU QD 1 46 GLU H . . 4.960 3.798 3.202 4.062 . 0 0 "[ . 1 . 2]" 1
810 1 33 LEU QD 1 46 GLU QB . . 4.440 3.439 3.165 3.711 . 0 0 "[ . 1 . 2]" 1
811 1 33 LEU QD 1 48 GLN HE21 . . 4.440 3.621 3.102 4.182 . 0 0 "[ . 1 . 2]" 1
812 1 33 LEU QD 1 48 GLN HE22 . . 5.170 3.576 3.133 4.478 . 0 0 "[ . 1 . 2]" 1
813 1 33 LEU QD 1 48 GLN QG . . 4.340 3.292 3.025 3.898 . 0 0 "[ . 1 . 2]" 1
814 1 33 LEU HG 1 34 ILE H . . 4.440 3.640 3.064 4.542 0.102 15 0 "[ . 1 . 2]" 1
815 1 33 LEU HG 1 48 GLN QG . . 5.110 4.353 3.414 5.181 0.071 14 0 "[ . 1 . 2]" 1
816 1 34 ILE H 1 34 ILE HB . . 3.240 2.426 2.356 2.493 . 0 0 "[ . 1 . 2]" 1
817 1 34 ILE H 1 34 ILE MD . . 3.910 3.149 2.976 3.270 . 0 0 "[ . 1 . 2]" 1
818 1 34 ILE H 1 34 ILE HG12 . . 3.480 2.077 1.948 2.339 . 0 0 "[ . 1 . 2]" 1
819 1 34 ILE H 1 34 ILE HG13 . . 3.820 3.525 3.448 3.732 . 0 0 "[ . 1 . 2]" 1
820 1 34 ILE H 1 34 ILE MG . . 4.400 3.713 3.703 3.719 . 0 0 "[ . 1 . 2]" 1
821 1 34 ILE HA 1 34 ILE MD . . 3.150 1.983 1.909 2.071 . 0 0 "[ . 1 . 2]" 1
822 1 34 ILE HA 1 34 ILE HG12 . . 4.120 3.107 3.063 3.182 . 0 0 "[ . 1 . 2]" 1
823 1 34 ILE HA 1 34 ILE HG13 . . 3.910 3.728 3.668 3.760 . 0 0 "[ . 1 . 2]" 1
824 1 34 ILE HA 1 34 ILE MG . . 3.270 2.374 2.291 2.505 . 0 0 "[ . 1 . 2]" 1
825 1 34 ILE HA 1 35 LEU H . . 2.890 2.183 2.176 2.210 . 0 0 "[ . 1 . 2]" 1
826 1 34 ILE HA 1 35 LEU HA . . 4.690 4.366 4.363 4.374 . 0 0 "[ . 1 . 2]" 1
827 1 34 ILE HA 1 35 LEU HG . . 4.690 3.539 3.367 3.715 . 0 0 "[ . 1 . 2]" 1
828 1 34 ILE HA 1 36 LYS H . . 4.180 3.897 3.662 4.189 0.009 11 0 "[ . 1 . 2]" 1
829 1 34 ILE HA 1 45 GLY HA2 . . 3.640 2.962 2.607 3.369 . 0 0 "[ . 1 . 2]" 1
830 1 34 ILE HA 1 45 GLY HA3 . . 3.870 2.540 2.348 2.691 . 0 0 "[ . 1 . 2]" 1
831 1 34 ILE HA 1 46 GLU H . . 4.440 4.248 4.053 4.469 0.029 9 0 "[ . 1 . 2]" 1
832 1 34 ILE HA 1 59 PHE HZ . . 5.110 4.211 4.079 4.427 . 0 0 "[ . 1 . 2]" 1
833 1 34 ILE HB 1 35 LEU H . . 5.090 4.339 4.196 4.443 . 0 0 "[ . 1 . 2]" 1
834 1 34 ILE MD 1 34 ILE MG . . 2.980 1.967 1.915 2.108 . 0 0 "[ . 1 . 2]" 1
835 1 34 ILE MD 1 35 LEU H . . 4.640 3.655 3.530 3.745 . 0 0 "[ . 1 . 2]" 1
836 1 34 ILE MD 1 36 LYS H . . 5.340 4.602 4.316 4.809 . 0 0 "[ . 1 . 2]" 1
837 1 34 ILE MD 1 43 TRP HB2 . . 4.550 3.139 2.968 3.238 . 0 0 "[ . 1 . 2]" 1
838 1 34 ILE MD 1 43 TRP HB3 . . 4.260 2.232 2.111 2.315 . 0 0 "[ . 1 . 2]" 1
839 1 34 ILE MD 1 43 TRP HD1 . . 5.110 5.123 5.096 5.164 0.054 17 0 "[ . 1 . 2]" 1
840 1 34 ILE MD 1 43 TRP HE3 . . 3.230 1.899 1.783 2.047 . 0 0 "[ . 1 . 2]" 1
841 1 34 ILE MD 1 43 TRP HZ3 . . 3.910 3.245 3.080 3.414 . 0 0 "[ . 1 . 2]" 1
842 1 34 ILE MD 1 44 GLN H . . 5.500 4.346 4.201 4.498 . 0 0 "[ . 1 . 2]" 1
843 1 34 ILE MD 1 45 GLY H . . 4.690 4.162 3.965 4.442 . 0 0 "[ . 1 . 2]" 1
844 1 34 ILE MD 1 45 GLY HA2 . . 4.690 4.022 3.797 4.347 . 0 0 "[ . 1 . 2]" 1
845 1 34 ILE MD 1 45 GLY HA3 . . 4.180 2.895 2.710 3.046 . 0 0 "[ . 1 . 2]" 1
846 1 34 ILE MD 1 59 PHE QE . . 3.640 2.840 2.725 3.038 . 0 0 "[ . 1 . 2]" 1
847 1 34 ILE MD 1 59 PHE HZ . . 3.160 1.922 1.807 2.182 . 0 0 "[ . 1 . 2]" 1
848 1 34 ILE HG12 1 34 ILE MG . . 3.610 3.227 3.223 3.242 . 0 0 "[ . 1 . 2]" 1
849 1 34 ILE HG12 1 43 TRP HE3 . . 4.870 4.230 4.062 4.422 . 0 0 "[ . 1 . 2]" 1
850 1 34 ILE HG12 1 43 TRP HZ3 . . 5.060 4.663 4.537 4.829 . 0 0 "[ . 1 . 2]" 1
851 1 34 ILE HG12 1 59 PHE HZ . . 5.060 4.240 4.054 4.606 . 0 0 "[ . 1 . 2]" 1
852 1 34 ILE HG13 1 34 ILE MG . . 3.160 2.370 2.276 2.431 . 0 0 "[ . 1 . 2]" 1
853 1 34 ILE HG13 1 37 LYS HE2 . . 4.690 3.742 2.607 4.408 . 0 0 "[ . 1 . 2]" 1
854 1 34 ILE HG13 1 43 TRP HB3 . . 5.110 4.642 4.451 4.847 . 0 0 "[ . 1 . 2]" 1
855 1 34 ILE HG13 1 43 TRP HE3 . . 4.270 3.269 2.997 3.489 . 0 0 "[ . 1 . 2]" 1
856 1 34 ILE HG13 1 43 TRP HH2 . . 5.060 5.074 5.064 5.109 0.049 9 0 "[ . 1 . 2]" 1
857 1 34 ILE HG13 1 43 TRP HZ3 . . 3.900 3.398 3.269 3.602 . 0 0 "[ . 1 . 2]" 1
858 1 34 ILE MG 1 35 LEU H . . 3.540 2.695 2.517 2.885 . 0 0 "[ . 1 . 2]" 1
859 1 34 ILE MG 1 35 LEU HA . . 4.120 3.898 3.701 4.056 . 0 0 "[ . 1 . 2]" 1
860 1 34 ILE MG 1 36 LYS H . . 3.540 3.087 2.604 3.407 . 0 0 "[ . 1 . 2]" 1
861 1 34 ILE MG 1 37 LYS HA . . 4.690 3.940 3.760 4.109 . 0 0 "[ . 1 . 2]" 1
862 1 34 ILE MG 1 37 LYS HE2 . . 3.670 2.493 1.810 3.220 . 0 0 "[ . 1 . 2]" 1
863 1 34 ILE MG 1 37 LYS HE3 . . 3.670 2.036 1.774 3.157 . 0 0 "[ . 1 . 2]" 1
864 1 34 ILE MG 1 37 LYS HG2 . . 3.640 2.407 2.069 2.731 . 0 0 "[ . 1 . 2]" 1
865 1 34 ILE MG 1 43 TRP HA . . 4.870 4.317 4.074 4.558 . 0 0 "[ . 1 . 2]" 1
866 1 34 ILE MG 1 43 TRP HB2 . . 4.340 4.296 4.071 4.362 0.022 20 0 "[ . 1 . 2]" 1
867 1 34 ILE MG 1 43 TRP HB3 . . 3.830 2.914 2.589 3.052 . 0 0 "[ . 1 . 2]" 1
868 1 34 ILE MG 1 43 TRP HE3 . . 3.910 3.381 3.183 3.703 . 0 0 "[ . 1 . 2]" 1
869 1 34 ILE MG 1 43 TRP HZ3 . . 4.870 4.334 4.102 4.651 . 0 0 "[ . 1 . 2]" 1
870 1 34 ILE MG 1 44 GLN H . . 4.420 3.810 3.469 4.178 . 0 0 "[ . 1 . 2]" 1
871 1 34 ILE MG 1 45 GLY HA2 . . 4.870 4.371 4.149 4.655 . 0 0 "[ . 1 . 2]" 1
872 1 34 ILE MG 1 45 GLY HA3 . . 4.870 4.302 4.116 4.474 . 0 0 "[ . 1 . 2]" 1
873 1 34 ILE MG 1 59 PHE HZ . . 4.690 4.431 4.276 4.591 . 0 0 "[ . 1 . 2]" 1
874 1 35 LEU H 1 35 LEU HB2 . . 3.610 2.685 2.559 2.795 . 0 0 "[ . 1 . 2]" 1
875 1 35 LEU H 1 35 LEU HB3 . . 3.870 3.714 3.663 3.762 . 0 0 "[ . 1 . 2]" 1
876 1 35 LEU H 1 35 LEU MD1 . . 4.340 3.320 3.030 3.610 . 0 0 "[ . 1 . 2]" 1
877 1 35 LEU H 1 35 LEU MD2 . . 4.260 3.890 3.727 4.032 . 0 0 "[ . 1 . 2]" 1
878 1 35 LEU H 1 35 LEU HG . . 3.760 2.519 2.326 2.727 . 0 0 "[ . 1 . 2]" 1
879 1 35 LEU H 1 36 LYS H . . 3.160 2.061 1.894 2.253 . 0 0 "[ . 1 . 2]" 1
880 1 35 LEU H 1 44 GLN H . . 4.850 4.060 3.774 4.353 . 0 0 "[ . 1 . 2]" 1
881 1 35 LEU H 1 44 GLN HB3 . . 5.110 4.244 3.923 4.475 . 0 0 "[ . 1 . 2]" 1
882 1 35 LEU H 1 45 GLY H . . 4.680 4.149 4.006 4.302 . 0 0 "[ . 1 . 2]" 1
883 1 35 LEU H 1 45 GLY HA2 . . 3.670 2.205 1.979 2.504 . 0 0 "[ . 1 . 2]" 1
884 1 35 LEU H 1 45 GLY HA3 . . 4.060 3.078 2.832 3.398 . 0 0 "[ . 1 . 2]" 1
885 1 35 LEU H 1 46 GLU H . . 4.760 4.530 4.270 4.821 0.061 9 0 "[ . 1 . 2]" 1
886 1 35 LEU HA 1 35 LEU MD1 . . 4.120 3.979 3.944 4.014 . 0 0 "[ . 1 . 2]" 1
887 1 35 LEU HA 1 35 LEU MD2 . . 2.930 2.553 2.320 2.743 . 0 0 "[ . 1 . 2]" 1
888 1 35 LEU HA 1 35 LEU HG . . 3.690 2.958 2.895 3.048 . 0 0 "[ . 1 . 2]" 1
889 1 35 LEU HB2 1 35 LEU MD1 . . 3.020 2.066 2.001 2.250 . 0 0 "[ . 1 . 2]" 1
890 1 35 LEU HB2 1 36 LYS H . . 3.290 2.656 2.366 2.941 . 0 0 "[ . 1 . 2]" 1
891 1 35 LEU HB2 1 45 GLY HA2 . . 4.440 2.990 2.628 3.429 . 0 0 "[ . 1 . 2]" 1
892 1 35 LEU HB3 1 35 LEU MD1 . . 3.350 2.727 2.560 2.820 . 0 0 "[ . 1 . 2]" 1
893 1 35 LEU HB3 1 35 LEU MD2 . . 3.030 2.157 2.027 2.264 . 0 0 "[ . 1 . 2]" 1
894 1 35 LEU HB3 1 36 LYS H . . 4.120 3.884 3.590 4.118 . 0 0 "[ . 1 . 2]" 1
895 1 35 LEU HB3 1 45 GLY HA2 . . 4.690 4.181 3.947 4.480 . 0 0 "[ . 1 . 2]" 1
896 1 35 LEU MD1 1 36 LYS H . . 4.760 3.939 3.624 4.414 . 0 0 "[ . 1 . 2]" 1
897 1 35 LEU MD1 1 44 GLN HE21 . . 5.110 4.778 3.397 5.118 0.008 16 0 "[ . 1 . 2]" 1
898 1 35 LEU MD1 1 45 GLY HA2 . . 4.060 2.068 1.906 2.336 . 0 0 "[ . 1 . 2]" 1
899 1 35 LEU MD1 1 45 GLY HA3 . . 4.690 3.338 3.199 3.562 . 0 0 "[ . 1 . 2]" 1
900 1 35 LEU MD1 1 46 GLU H . . 4.120 2.607 2.378 3.031 . 0 0 "[ . 1 . 2]" 1
901 1 35 LEU MD1 1 46 GLU HA . . 4.690 3.300 3.121 3.581 . 0 0 "[ . 1 . 2]" 1
902 1 35 LEU MD1 1 46 GLU QB . . 3.590 2.024 1.916 2.201 . 0 0 "[ . 1 . 2]" 1
903 1 35 LEU MD1 1 46 GLU QG . . 4.550 3.699 3.280 3.999 . 0 0 "[ . 1 . 2]" 1
904 1 35 LEU MD1 1 56 LYS HA . . 4.870 4.014 3.801 4.386 . 0 0 "[ . 1 . 2]" 1
905 1 35 LEU MD1 1 56 LYS QB . . 3.790 3.779 3.094 3.849 0.059 6 0 "[ . 1 . 2]" 1
906 1 35 LEU MD1 1 56 LYS QD . . 3.520 2.835 1.968 3.529 0.009 16 0 "[ . 1 . 2]" 1
907 1 35 LEU MD1 1 56 LYS HE2 . . 4.260 3.420 2.132 4.094 . 0 0 "[ . 1 . 2]" 1
908 1 35 LEU MD1 1 56 LYS HE3 . . 4.120 3.403 2.181 4.260 0.140 10 0 "[ . 1 . 2]" 1
909 1 35 LEU MD1 1 56 LYS HG2 . . 4.260 2.530 2.262 3.406 . 0 0 "[ . 1 . 2]" 1
910 1 35 LEU MD1 1 56 LYS HG3 . . 4.340 2.603 2.433 4.285 . 0 0 "[ . 1 . 2]" 1
911 1 35 LEU MD1 1 57 GLY H . . 4.870 4.326 4.021 4.622 . 0 0 "[ . 1 . 2]" 1
912 1 35 LEU MD2 1 36 LYS H . . 5.110 4.871 4.753 4.984 . 0 0 "[ . 1 . 2]" 1
913 1 35 LEU MD2 1 45 GLY HA2 . . 4.550 3.633 3.552 3.692 . 0 0 "[ . 1 . 2]" 1
914 1 35 LEU MD2 1 45 GLY HA3 . . 4.690 4.748 4.702 4.808 0.118 14 0 "[ . 1 . 2]" 1
915 1 35 LEU MD2 1 46 GLU H . . 4.690 3.713 3.515 4.038 . 0 0 "[ . 1 . 2]" 1
916 1 35 LEU MD2 1 46 GLU QB . . 4.060 3.027 2.848 3.513 . 0 0 "[ . 1 . 2]" 1
917 1 35 LEU HG 1 36 LYS H . . 4.870 4.122 3.958 4.293 . 0 0 "[ . 1 . 2]" 1
918 1 35 LEU HG 1 45 GLY HA2 . . 3.670 1.971 1.931 1.995 . 0 0 "[ . 1 . 2]" 1
919 1 35 LEU HG 1 45 GLY HA3 . . 4.180 3.358 3.193 3.491 . 0 0 "[ . 1 . 2]" 1
920 1 35 LEU HG 1 46 GLU H . . 4.180 3.087 2.947 3.331 . 0 0 "[ . 1 . 2]" 1
921 1 35 LEU HG 1 46 GLU HA . . 5.470 5.249 5.120 5.417 . 0 0 "[ . 1 . 2]" 1
922 1 35 LEU HG 1 46 GLU QB . . 4.870 3.736 3.499 3.992 . 0 0 "[ . 1 . 2]" 1
923 1 36 LYS H 1 36 LYS HB2 . . 3.950 2.820 2.599 3.012 . 0 0 "[ . 1 . 2]" 1
924 1 36 LYS H 1 36 LYS HB3 . . 4.180 3.179 3.081 3.509 . 0 0 "[ . 1 . 2]" 1
925 1 36 LYS H 1 36 LYS HG2 . . 5.110 4.737 4.279 5.121 0.011 13 0 "[ . 1 . 2]" 1
926 1 36 LYS H 1 36 LYS HG3 . . 5.110 4.596 4.253 4.968 . 0 0 "[ . 1 . 2]" 1
927 1 36 LYS H 1 37 LYS H . . 4.910 4.406 4.338 4.457 . 0 0 "[ . 1 . 2]" 1
928 1 36 LYS H 1 43 TRP HA . . 5.450 4.910 4.716 5.143 . 0 0 "[ . 1 . 2]" 1
929 1 36 LYS H 1 43 TRP HB3 . . 5.500 4.702 4.472 4.993 . 0 0 "[ . 1 . 2]" 1
930 1 36 LYS H 1 44 GLN H . . 3.740 2.863 2.648 3.073 . 0 0 "[ . 1 . 2]" 1
931 1 36 LYS H 1 44 GLN HB2 . . 4.400 4.168 3.851 4.383 . 0 0 "[ . 1 . 2]" 1
932 1 36 LYS H 1 44 GLN HB3 . . 3.950 2.689 2.489 3.034 . 0 0 "[ . 1 . 2]" 1
933 1 36 LYS H 1 44 GLN HG2 . . 5.470 4.294 4.081 4.722 . 0 0 "[ . 1 . 2]" 1
934 1 36 LYS H 1 45 GLY H . . 5.500 4.667 4.573 4.803 . 0 0 "[ . 1 . 2]" 1
935 1 36 LYS H 1 45 GLY HA2 . . 4.910 3.672 3.550 3.850 . 0 0 "[ . 1 . 2]" 1
936 1 36 LYS H 1 45 GLY HA3 . . 5.500 4.630 4.387 4.847 . 0 0 "[ . 1 . 2]" 1
937 1 36 LYS HA 1 36 LYS QE . . 4.870 4.400 3.172 4.767 . 0 0 "[ . 1 . 2]" 1
938 1 36 LYS HA 1 36 LYS HG2 . . 3.790 2.748 1.979 3.557 . 0 0 "[ . 1 . 2]" 1
939 1 36 LYS HA 1 36 LYS HG3 . . 3.230 2.530 1.988 3.507 0.277 9 0 "[ . 1 . 2]" 1
940 1 36 LYS HA 1 37 LYS H . . 2.850 2.347 2.242 2.492 . 0 0 "[ . 1 . 2]" 1
941 1 36 LYS HA 1 37 LYS HG3 . . 4.340 3.821 3.545 4.233 . 0 0 "[ . 1 . 2]" 1
942 1 36 LYS HA 1 58 TRP HH2 . . 5.500 5.010 4.528 5.263 . 0 0 "[ . 1 . 2]" 1
943 1 36 LYS HB2 1 36 LYS QE . . 5.110 3.372 2.479 4.087 . 0 0 "[ . 1 . 2]" 1
944 1 36 LYS HB2 1 36 LYS HG3 . . 3.050 2.623 2.285 3.014 . 0 0 "[ . 1 . 2]" 1
945 1 36 LYS HB2 1 37 LYS H . . 4.600 4.260 4.024 4.408 . 0 0 "[ . 1 . 2]" 1
946 1 36 LYS HB2 1 44 GLN H . . 4.370 4.233 3.785 4.367 . 0 0 "[ . 1 . 2]" 1
947 1 36 LYS HB2 1 44 GLN HB2 . . 4.120 3.842 3.232 4.007 . 0 0 "[ . 1 . 2]" 1
948 1 36 LYS HB2 1 58 TRP HH2 . . 4.440 4.356 3.559 4.474 0.034 9 0 "[ . 1 . 2]" 1
949 1 36 LYS HB2 1 58 TRP HZ2 . . 5.300 4.264 3.622 4.464 . 0 0 "[ . 1 . 2]" 1
950 1 36 LYS HB3 1 36 LYS QE . . 3.730 3.310 2.395 3.730 0.000 19 0 "[ . 1 . 2]" 1
951 1 36 LYS HB3 1 37 LYS H . . 3.960 3.406 2.681 3.751 . 0 0 "[ . 1 . 2]" 1
952 1 36 LYS HB3 1 44 GLN H . . 4.570 3.274 3.008 3.699 . 0 0 "[ . 1 . 2]" 1
953 1 36 LYS HB3 1 44 GLN HB2 . . 4.180 2.896 2.677 3.410 . 0 0 "[ . 1 . 2]" 1
954 1 36 LYS HB3 1 44 GLN HB3 . . 3.410 2.124 1.994 2.949 . 0 0 "[ . 1 . 2]" 1
955 1 36 LYS HB3 1 44 GLN HG3 . . 4.870 4.858 4.749 5.551 0.681 14 1 "[ . 1 +. 2]" 1
956 1 36 LYS HB3 1 58 TRP HE1 . . 5.500 5.358 4.240 5.709 0.209 14 0 "[ . 1 . 2]" 1
957 1 36 LYS HB3 1 58 TRP HH2 . . 3.940 2.779 2.079 3.034 . 0 0 "[ . 1 . 2]" 1
958 1 36 LYS HB3 1 58 TRP HZ2 . . 4.150 3.344 2.628 3.629 . 0 0 "[ . 1 . 2]" 1
959 1 36 LYS HB3 1 58 TRP HZ3 . . 4.870 3.991 3.639 4.147 . 0 0 "[ . 1 . 2]" 1
960 1 36 LYS QE 1 36 LYS HG3 . . 3.610 2.775 1.979 3.507 . 0 0 "[ . 1 . 2]" 1
961 1 36 LYS QE 1 58 TRP HH2 . . 4.690 3.315 1.976 4.623 . 0 0 "[ . 1 . 2]" 1
962 1 36 LYS QE 1 58 TRP HZ2 . . 4.870 3.078 1.964 3.975 . 0 0 "[ . 1 . 2]" 1
963 1 36 LYS HG2 1 37 LYS H . . 4.690 3.041 2.163 3.948 . 0 0 "[ . 1 . 2]" 1
964 1 36 LYS HG2 1 58 TRP HH2 . . 4.420 3.437 2.353 4.750 0.330 19 0 "[ . 1 . 2]" 1
965 1 36 LYS HG3 1 37 LYS H . . 4.690 3.309 2.213 4.480 . 0 0 "[ . 1 . 2]" 1
966 1 36 LYS HG3 1 58 TRP HH2 . . 4.690 4.239 3.553 4.730 0.040 14 0 "[ . 1 . 2]" 1
967 1 37 LYS H 1 37 LYS HB2 . . 3.520 2.635 2.571 2.719 . 0 0 "[ . 1 . 2]" 1
968 1 37 LYS H 1 37 LYS HB3 . . 4.060 3.745 3.663 3.805 . 0 0 "[ . 1 . 2]" 1
969 1 37 LYS H 1 37 LYS QD . . 4.760 4.743 4.620 4.800 0.040 9 0 "[ . 1 . 2]" 1
970 1 37 LYS H 1 37 LYS HG2 . . 4.420 3.952 3.735 4.266 . 0 0 "[ . 1 . 2]" 1
971 1 37 LYS H 1 37 LYS HG3 . . 3.800 3.313 3.195 3.648 . 0 0 "[ . 1 . 2]" 1
972 1 37 LYS H 1 38 ASN H . . 5.450 4.428 4.295 4.470 . 0 0 "[ . 1 . 2]" 1
973 1 37 LYS H 1 38 ASN HA . . 5.500 4.694 4.609 4.791 . 0 0 "[ . 1 . 2]" 1
974 1 37 LYS HA 1 37 LYS QD . . 4.550 3.744 3.644 3.849 . 0 0 "[ . 1 . 2]" 1
975 1 37 LYS HA 1 37 LYS HG2 . . 3.610 2.264 2.175 2.338 . 0 0 "[ . 1 . 2]" 1
976 1 37 LYS HA 1 37 LYS HG3 . . 3.870 3.148 2.927 3.292 . 0 0 "[ . 1 . 2]" 1
977 1 37 LYS HA 1 38 ASN H . . 3.170 2.402 2.192 2.539 . 0 0 "[ . 1 . 2]" 1
978 1 37 LYS HA 1 38 ASN HA . . 4.550 4.387 4.302 4.456 . 0 0 "[ . 1 . 2]" 1
979 1 37 LYS HA 1 38 ASN HB2 . . 5.110 4.568 4.077 5.590 0.480 10 0 "[ . 1 . 2]" 1
980 1 37 LYS HA 1 43 TRP H . . 5.500 5.154 4.957 5.406 . 0 0 "[ . 1 . 2]" 1
981 1 37 LYS HA 1 43 TRP HA . . 3.460 2.328 2.127 2.611 . 0 0 "[ . 1 . 2]" 1
982 1 37 LYS HA 1 43 TRP HB3 . . 4.690 3.799 3.665 4.109 . 0 0 "[ . 1 . 2]" 1
983 1 37 LYS HA 1 43 TRP HD1 . . 3.580 2.492 2.317 2.596 . 0 0 "[ . 1 . 2]" 1
984 1 37 LYS HA 1 43 TRP HE1 . . 4.350 4.081 3.730 4.301 . 0 0 "[ . 1 . 2]" 1
985 1 37 LYS HA 1 44 GLN H . . 4.550 3.150 2.986 3.460 . 0 0 "[ . 1 . 2]" 1
986 1 37 LYS HA 1 58 TRP HZ3 . . 4.610 3.394 3.024 3.916 . 0 0 "[ . 1 . 2]" 1
987 1 37 LYS HB2 1 37 LYS QD . . 3.330 2.625 2.454 2.838 . 0 0 "[ . 1 . 2]" 1
988 1 37 LYS HB2 1 37 LYS HE2 . . 4.870 4.668 3.995 4.839 . 0 0 "[ . 1 . 2]" 1
989 1 37 LYS HB2 1 37 LYS HE3 . . 4.340 3.889 3.330 4.496 0.156 20 0 "[ . 1 . 2]" 1
990 1 37 LYS HB2 1 38 ASN H . . 4.540 3.905 3.621 4.324 . 0 0 "[ . 1 . 2]" 1
991 1 37 LYS HB2 1 43 TRP HD1 . . 4.870 4.730 4.507 4.884 0.014 10 0 "[ . 1 . 2]" 1
992 1 37 LYS HB2 1 43 TRP HE1 . . 4.720 4.620 4.316 4.746 0.026 11 0 "[ . 1 . 2]" 1
993 1 37 LYS HB3 1 37 LYS QD . . 3.410 2.212 2.070 2.381 . 0 0 "[ . 1 . 2]" 1
994 1 37 LYS HB3 1 37 LYS HE2 . . 4.870 4.665 4.475 4.801 . 0 0 "[ . 1 . 2]" 1
995 1 37 LYS HB3 1 37 LYS HE3 . . 4.870 4.378 4.032 4.734 . 0 0 "[ . 1 . 2]" 1
996 1 37 LYS HB3 1 38 ASN H . . 4.150 2.705 2.357 3.387 . 0 0 "[ . 1 . 2]" 1
997 1 37 LYS HB3 1 43 TRP HD1 . . 4.340 3.322 3.035 3.762 . 0 0 "[ . 1 . 2]" 1
998 1 37 LYS HB3 1 43 TRP HE1 . . 4.020 2.901 2.597 3.106 . 0 0 "[ . 1 . 2]" 1
999 1 37 LYS HB3 1 43 TRP HZ2 . . 5.300 4.698 4.261 5.277 . 0 0 "[ . 1 . 2]" 1
1000 1 37 LYS QD 1 38 ASN H . . 5.450 4.382 4.018 4.956 . 0 0 "[ . 1 . 2]" 1
1001 1 37 LYS QD 1 43 TRP HD1 . . 4.690 4.018 3.578 4.433 . 0 0 "[ . 1 . 2]" 1
1002 1 37 LYS QD 1 43 TRP HE1 . . 4.260 3.031 2.386 3.235 . 0 0 "[ . 1 . 2]" 1
1003 1 37 LYS QD 1 43 TRP HZ2 . . 4.010 3.002 2.593 3.197 . 0 0 "[ . 1 . 2]" 1
1004 1 37 LYS HE2 1 37 LYS HG2 . . 3.950 3.562 2.615 3.962 0.012 9 0 "[ . 1 . 2]" 1
1005 1 37 LYS HE2 1 43 TRP HH2 . . 4.870 4.538 3.666 5.609 0.739 20 1 "[ . 1 . +]" 1
1006 1 37 LYS HE2 1 43 TRP HZ2 . . 4.870 4.630 3.861 5.491 0.621 20 1 "[ . 1 . +]" 1
1007 1 37 LYS HE2 1 43 TRP HZ3 . . 5.470 4.730 3.229 5.421 . 0 0 "[ . 1 . 2]" 1
1008 1 37 LYS HE3 1 37 LYS HG2 . . 3.950 3.181 2.881 3.969 0.019 20 0 "[ . 1 . 2]" 1
1009 1 37 LYS HE3 1 37 LYS HG3 . . 3.320 2.193 1.981 3.426 0.106 20 0 "[ . 1 . 2]" 1
1010 1 37 LYS HG2 1 38 ASN H . . 5.030 4.022 3.662 4.293 . 0 0 "[ . 1 . 2]" 1
1011 1 37 LYS HG2 1 43 TRP HA . . 5.110 3.437 3.205 3.731 . 0 0 "[ . 1 . 2]" 1
1012 1 37 LYS HG2 1 43 TRP HB3 . . 5.110 3.191 2.891 3.692 . 0 0 "[ . 1 . 2]" 1
1013 1 37 LYS HG2 1 43 TRP HD1 . . 4.730 3.345 2.863 3.574 . 0 0 "[ . 1 . 2]" 1
1014 1 37 LYS HG2 1 43 TRP HE1 . . 4.760 3.937 3.223 4.277 . 0 0 "[ . 1 . 2]" 1
1015 1 37 LYS HG2 1 43 TRP HE3 . . 5.500 4.412 4.140 4.829 . 0 0 "[ . 1 . 2]" 1
1016 1 37 LYS HG2 1 43 TRP HZ2 . . 5.500 5.009 4.363 5.371 . 0 0 "[ . 1 . 2]" 1
1017 1 37 LYS HG3 1 38 ASN H . . 5.340 5.011 4.791 5.292 . 0 0 "[ . 1 . 2]" 1
1018 1 37 LYS HG3 1 43 TRP HD1 . . 5.060 4.883 4.457 5.065 0.005 12 0 "[ . 1 . 2]" 1
1019 1 37 LYS HG3 1 43 TRP HE1 . . 5.340 5.173 4.745 5.344 0.004 4 0 "[ . 1 . 2]" 1
1020 1 38 ASN H 1 38 ASN HB2 . . 3.740 3.197 2.478 3.909 0.169 11 0 "[ . 1 . 2]" 1
1021 1 38 ASN H 1 38 ASN HB3 . . 3.830 2.774 2.453 3.213 . 0 0 "[ . 1 . 2]" 1
1022 1 38 ASN H 1 38 ASN HD21 . . 5.500 4.744 1.831 5.143 . 0 0 "[ . 1 . 2]" 1
1023 1 38 ASN H 1 43 TRP HA . . 4.060 3.380 2.813 3.774 . 0 0 "[ . 1 . 2]" 1
1024 1 38 ASN H 1 43 TRP HB3 . . 5.500 5.346 5.058 5.553 0.053 11 0 "[ . 1 . 2]" 1
1025 1 38 ASN H 1 43 TRP HD1 . . 3.440 2.135 2.000 2.351 . 0 0 "[ . 1 . 2]" 1
1026 1 38 ASN H 1 43 TRP HE1 . . 4.300 3.185 2.858 3.993 . 0 0 "[ . 1 . 2]" 1
1027 1 38 ASN H 1 44 GLN H . . 5.250 5.033 4.401 5.308 0.058 11 0 "[ . 1 . 2]" 1
1028 1 38 ASN H 1 58 TRP HH2 . . 5.500 5.005 4.307 5.533 0.033 11 0 "[ . 1 . 2]" 1
1029 1 38 ASN H 1 58 TRP HZ3 . . 4.330 3.373 2.497 4.194 . 0 0 "[ . 1 . 2]" 1
1030 1 38 ASN HA 1 38 ASN HD22 . . 5.500 4.798 3.568 5.429 . 0 0 "[ . 1 . 2]" 1
1031 1 38 ASN HA 1 39 THR HA . . 5.110 4.441 4.364 5.196 0.086 19 0 "[ . 1 . 2]" 1
1032 1 38 ASN HA 1 39 THR MG . . 4.440 3.771 3.087 4.414 . 0 0 "[ . 1 . 2]" 1
1033 1 38 ASN HA 1 40 SER H . . 5.170 4.236 3.835 4.511 . 0 0 "[ . 1 . 2]" 1
1034 1 38 ASN HB2 1 40 SER H . . 4.690 4.078 2.854 4.713 0.023 6 0 "[ . 1 . 2]" 1
1035 1 38 ASN HB2 1 41 GLY H . . 5.500 4.358 3.976 5.528 0.028 19 0 "[ . 1 . 2]" 1
1036 1 38 ASN HB2 1 42 TRP H . . 4.850 4.198 3.551 4.730 . 0 0 "[ . 1 . 2]" 1
1037 1 38 ASN HB2 1 43 TRP HD1 . . 5.300 4.538 3.801 5.597 0.297 18 0 "[ . 1 . 2]" 1
1038 1 38 ASN HB2 1 58 TRP HH2 . . 5.300 3.776 3.341 4.996 . 0 0 "[ . 1 . 2]" 1
1039 1 38 ASN HB2 1 58 TRP HZ3 . . 4.180 2.407 1.974 4.181 0.001 10 0 "[ . 1 . 2]" 1
1040 1 38 ASN HB3 1 40 SER H . . 4.130 3.222 2.274 4.622 0.492 17 0 "[ . 1 . 2]" 1
1041 1 38 ASN HB3 1 41 GLY H . . 5.450 3.060 2.296 4.784 . 0 0 "[ . 1 . 2]" 1
1042 1 38 ASN HB3 1 42 TRP H . . 4.680 3.024 2.049 4.679 . 0 0 "[ . 1 . 2]" 1
1043 1 38 ASN HB3 1 58 TRP HH2 . . 5.060 4.781 3.249 5.362 0.302 14 0 "[ . 1 . 2]" 1
1044 1 38 ASN HB3 1 58 TRP HZ3 . . 4.180 3.042 2.002 3.590 . 0 0 "[ . 1 . 2]" 1
1045 1 38 ASN HD21 1 40 SER H . . 3.960 3.613 2.995 3.983 0.023 14 0 "[ . 1 . 2]" 1
1046 1 38 ASN HD21 1 42 TRP HB2 . . 5.500 2.604 1.945 4.736 . 0 0 "[ . 1 . 2]" 1
1047 1 38 ASN HD21 1 58 TRP HZ3 . . 4.500 4.177 3.022 4.530 0.030 19 0 "[ . 1 . 2]" 1
1048 1 38 ASN HD22 1 40 SER H . . 4.600 3.676 2.575 4.612 0.012 19 0 "[ . 1 . 2]" 1
1049 1 38 ASN HD22 1 42 TRP H . . 5.500 3.967 1.877 5.337 . 0 0 "[ . 1 . 2]" 1
1050 1 38 ASN HD22 1 42 TRP HB2 . . 4.870 3.648 1.946 4.891 0.021 14 0 "[ . 1 . 2]" 1
1051 1 39 THR HA 1 39 THR HB . . 2.970 2.496 2.373 2.596 . 0 0 "[ . 1 . 2]" 1
1052 1 39 THR HA 1 39 THR MG . . 3.180 2.842 2.416 3.233 0.053 2 0 "[ . 1 . 2]" 1
1053 1 39 THR HA 1 41 GLY H . . 4.440 4.227 3.482 4.459 0.019 15 0 "[ . 1 . 2]" 1
1054 1 39 THR MG 1 40 SER H . . 5.170 3.676 1.953 4.329 . 0 0 "[ . 1 . 2]" 1
1055 1 39 THR MG 1 41 GLY H . . 5.500 5.229 4.445 5.672 0.172 9 0 "[ . 1 . 2]" 1
1056 1 40 SER H 1 40 SER HB2 . . 3.630 2.519 2.034 2.990 . 0 0 "[ . 1 . 2]" 1
1057 1 40 SER H 1 40 SER HB3 . . 4.060 3.284 2.720 3.871 . 0 0 "[ . 1 . 2]" 1
1058 1 40 SER H 1 41 GLY H . . 3.650 2.169 1.813 2.928 . 0 0 "[ . 1 . 2]" 1
1059 1 40 SER H 1 42 TRP H . . 4.540 3.611 2.783 4.199 . 0 0 "[ . 1 . 2]" 1
1060 1 40 SER HA 1 42 TRP H . . 5.340 4.791 4.493 4.890 . 0 0 "[ . 1 . 2]" 1
1061 1 40 SER HA 1 42 TRP HD1 . . 5.300 5.135 4.687 5.357 0.057 9 0 "[ . 1 . 2]" 1
1062 1 40 SER HB2 1 41 GLY H . . 4.120 3.308 2.629 3.887 . 0 0 "[ . 1 . 2]" 1
1063 1 40 SER HB2 1 42 TRP H . . 5.250 3.561 2.668 4.186 . 0 0 "[ . 1 . 2]" 1
1064 1 40 SER HB2 1 42 TRP HD1 . . 4.690 3.416 1.995 4.008 . 0 0 "[ . 1 . 2]" 1
1065 1 40 SER HB3 1 41 GLY H . . 4.850 3.139 2.527 4.144 . 0 0 "[ . 1 . 2]" 1
1066 1 40 SER HB3 1 42 TRP H . . 4.850 3.026 2.500 4.215 . 0 0 "[ . 1 . 2]" 1
1067 1 40 SER HB3 1 42 TRP HD1 . . 4.060 2.492 1.999 3.304 . 0 0 "[ . 1 . 2]" 1
1068 1 40 SER HB3 1 42 TRP HE1 . . 5.340 4.450 4.039 5.031 . 0 0 "[ . 1 . 2]" 1
1069 1 41 GLY H 1 42 TRP H . . 3.240 1.988 1.865 2.478 . 0 0 "[ . 1 . 2]" 1
1070 1 41 GLY H 1 42 TRP HB2 . . 5.500 4.028 3.846 4.723 . 0 0 "[ . 1 . 2]" 1
1071 1 41 GLY H 1 42 TRP HD1 . . 5.300 4.118 3.826 4.877 . 0 0 "[ . 1 . 2]" 1
1072 1 41 GLY H 1 43 TRP HD1 . . 5.170 4.212 3.991 4.477 . 0 0 "[ . 1 . 2]" 1
1073 1 41 GLY H 1 43 TRP HE1 . . 4.960 4.487 3.936 4.830 . 0 0 "[ . 1 . 2]" 1
1074 1 41 GLY H 1 61 ALA MB . . 5.500 5.191 4.580 5.483 . 0 0 "[ . 1 . 2]" 1
1075 1 41 GLY HA2 1 43 TRP HD1 . . 5.300 4.311 3.986 5.004 . 0 0 "[ . 1 . 2]" 1
1076 1 41 GLY HA2 1 43 TRP HE1 . . 4.640 3.741 3.267 4.625 . 0 0 "[ . 1 . 2]" 1
1077 1 41 GLY HA2 1 61 ALA MB . . 3.950 3.391 2.837 3.727 . 0 0 "[ . 1 . 2]" 1
1078 1 41 GLY HA3 1 42 TRP HD1 . . 5.060 4.620 4.131 4.982 . 0 0 "[ . 1 . 2]" 1
1079 1 41 GLY HA3 1 61 ALA H . . 5.450 3.839 3.192 4.409 . 0 0 "[ . 1 . 2]" 1
1080 1 41 GLY HA3 1 61 ALA MB . . 4.440 4.055 3.371 4.446 0.006 18 0 "[ . 1 . 2]" 1
1081 1 42 TRP H 1 42 TRP HB2 . . 3.430 2.335 2.286 2.381 . 0 0 "[ . 1 . 2]" 1
1082 1 42 TRP H 1 42 TRP HB3 . . 3.950 3.549 3.521 3.595 . 0 0 "[ . 1 . 2]" 1
1083 1 42 TRP H 1 42 TRP HD1 . . 3.910 2.695 2.473 2.918 . 0 0 "[ . 1 . 2]" 1
1084 1 42 TRP H 1 42 TRP HE1 . . 5.500 5.046 4.811 5.273 . 0 0 "[ . 1 . 2]" 1
1085 1 42 TRP H 1 42 TRP HE3 . . 5.500 5.299 5.150 5.528 0.028 10 0 "[ . 1 . 2]" 1
1086 1 42 TRP H 1 43 TRP H . . 5.250 4.492 4.198 4.566 . 0 0 "[ . 1 . 2]" 1
1087 1 42 TRP H 1 43 TRP HD1 . . 4.570 4.260 4.108 4.368 . 0 0 "[ . 1 . 2]" 1
1088 1 42 TRP H 1 43 TRP HE1 . . 5.500 5.481 5.130 5.528 0.028 11 0 "[ . 1 . 2]" 1
1089 1 42 TRP H 1 61 ALA MB . . 5.500 5.236 5.004 5.423 . 0 0 "[ . 1 . 2]" 1
1090 1 42 TRP HA 1 42 TRP HE3 . . 4.210 3.115 2.888 3.411 . 0 0 "[ . 1 . 2]" 1
1091 1 42 TRP HA 1 43 TRP H . . 3.180 2.219 2.206 2.266 . 0 0 "[ . 1 . 2]" 1
1092 1 42 TRP HA 1 43 TRP HD1 . . 5.300 4.362 4.147 4.673 . 0 0 "[ . 1 . 2]" 1
1093 1 42 TRP HA 1 60 PRO HA . . 3.390 2.696 2.548 2.871 . 0 0 "[ . 1 . 2]" 1
1094 1 42 TRP HA 1 61 ALA H . . 3.980 3.687 3.454 3.905 . 0 0 "[ . 1 . 2]" 1
1095 1 42 TRP HA 1 61 ALA MB . . 5.110 4.528 4.283 4.796 . 0 0 "[ . 1 . 2]" 1
1096 1 42 TRP HB2 1 43 TRP H . . 4.870 4.391 4.269 4.603 . 0 0 "[ . 1 . 2]" 1
1097 1 42 TRP HB2 1 58 TRP HE3 . . 3.730 2.975 2.692 3.157 . 0 0 "[ . 1 . 2]" 1
1098 1 42 TRP HB2 1 58 TRP HZ3 . . 5.300 3.891 3.704 4.099 . 0 0 "[ . 1 . 2]" 1
1099 1 42 TRP HB3 1 42 TRP HE3 . . 3.810 2.519 2.424 2.598 . 0 0 "[ . 1 . 2]" 1
1100 1 42 TRP HB3 1 42 TRP HZ3 . . 5.110 4.931 4.857 4.993 . 0 0 "[ . 1 . 2]" 1
1101 1 42 TRP HB3 1 43 TRP H . . 4.240 3.486 3.253 3.999 . 0 0 "[ . 1 . 2]" 1
1102 1 42 TRP HB3 1 58 TRP HE3 . . 3.310 2.151 2.014 2.346 . 0 0 "[ . 1 . 2]" 1
1103 1 42 TRP HB3 1 59 PHE H . . 5.090 3.877 3.394 4.445 . 0 0 "[ . 1 . 2]" 1
1104 1 42 TRP HE3 1 43 TRP H . . 5.060 3.858 3.520 4.354 . 0 0 "[ . 1 . 2]" 1
1105 1 42 TRP HE3 1 58 TRP HA . . 5.500 3.877 3.666 4.110 . 0 0 "[ . 1 . 2]" 1
1106 1 42 TRP HE3 1 58 TRP HB2 . . 3.910 3.492 3.326 3.775 . 0 0 "[ . 1 . 2]" 1
1107 1 42 TRP HE3 1 58 TRP HB3 . . 3.380 2.516 2.282 2.830 . 0 0 "[ . 1 . 2]" 1
1108 1 42 TRP HE3 1 59 PHE H . . 3.850 3.024 2.700 3.390 . 0 0 "[ . 1 . 2]" 1
1109 1 42 TRP HE3 1 60 PRO HA . . 4.440 4.355 4.023 4.457 0.017 9 0 "[ . 1 . 2]" 1
1110 1 42 TRP HE3 1 60 PRO HD3 . . 4.440 3.651 3.354 3.896 . 0 0 "[ . 1 . 2]" 1
1111 1 42 TRP HH2 1 60 PRO HD3 . . 4.730 3.603 3.372 3.751 . 0 0 "[ . 1 . 2]" 1
1112 1 42 TRP HH2 1 60 PRO HG3 . . 4.440 3.997 3.674 4.174 . 0 0 "[ . 1 . 2]" 1
1113 1 42 TRP HZ2 1 60 PRO HG3 . . 4.730 4.736 4.642 4.765 0.035 14 0 "[ . 1 . 2]" 1
1114 1 42 TRP HZ3 1 59 PHE HA . . 3.900 2.274 2.000 2.510 . 0 0 "[ . 1 . 2]" 1
1115 1 42 TRP HZ3 1 60 PRO HD2 . . 4.440 4.177 3.675 4.414 . 0 0 "[ . 1 . 2]" 1
1116 1 42 TRP HZ3 1 60 PRO HD3 . . 4.000 2.610 2.101 2.845 . 0 0 "[ . 1 . 2]" 1
1117 1 42 TRP HZ3 1 60 PRO HG3 . . 4.690 4.328 3.884 4.600 . 0 0 "[ . 1 . 2]" 1
1118 1 43 TRP H 1 43 TRP HB2 . . 3.650 2.436 2.294 2.481 . 0 0 "[ . 1 . 2]" 1
1119 1 43 TRP H 1 43 TRP HB3 . . 3.930 3.626 3.545 3.661 . 0 0 "[ . 1 . 2]" 1
1120 1 43 TRP H 1 43 TRP HD1 . . 4.600 3.650 3.514 3.822 . 0 0 "[ . 1 . 2]" 1
1121 1 43 TRP H 1 44 GLN H . . 5.250 4.479 4.448 4.564 . 0 0 "[ . 1 . 2]" 1
1122 1 43 TRP H 1 58 TRP HA . . 5.500 4.161 4.007 4.712 . 0 0 "[ . 1 . 2]" 1
1123 1 43 TRP H 1 58 TRP HB3 . . 5.340 4.416 4.207 5.065 . 0 0 "[ . 1 . 2]" 1
1124 1 43 TRP H 1 58 TRP HE3 . . 4.180 3.580 3.363 4.110 . 0 0 "[ . 1 . 2]" 1
1125 1 43 TRP H 1 58 TRP HZ3 . . 5.250 4.919 4.624 5.245 . 0 0 "[ . 1 . 2]" 1
1126 1 43 TRP H 1 59 PHE H . . 3.870 2.598 2.266 3.258 . 0 0 "[ . 1 . 2]" 1
1127 1 43 TRP H 1 59 PHE QE . . 5.170 4.320 4.128 4.533 . 0 0 "[ . 1 . 2]" 1
1128 1 43 TRP H 1 60 PRO HA . . 4.340 3.649 3.342 3.835 . 0 0 "[ . 1 . 2]" 1
1129 1 43 TRP H 1 61 ALA H . . 4.540 3.989 3.385 4.144 . 0 0 "[ . 1 . 2]" 1
1130 1 43 TRP H 1 61 ALA MB . . 4.850 4.072 3.461 4.314 . 0 0 "[ . 1 . 2]" 1
1131 1 43 TRP HA 1 43 TRP HD1 . . 3.390 2.187 2.115 2.253 . 0 0 "[ . 1 . 2]" 1
1132 1 43 TRP HA 1 43 TRP HE1 . . 5.250 4.702 4.652 4.755 . 0 0 "[ . 1 . 2]" 1
1133 1 43 TRP HA 1 44 GLN H . . 3.180 2.290 2.279 2.308 . 0 0 "[ . 1 . 2]" 1
1134 1 43 TRP HA 1 44 GLN HA . . 5.110 4.351 4.343 4.358 . 0 0 "[ . 1 . 2]" 1
1135 1 43 TRP HA 1 44 GLN HB2 . . 5.110 4.288 4.174 4.346 . 0 0 "[ . 1 . 2]" 1
1136 1 43 TRP HA 1 44 GLN HB3 . . 4.870 4.785 4.703 4.948 0.078 9 0 "[ . 1 . 2]" 1
1137 1 43 TRP HA 1 58 TRP HE3 . . 4.550 3.430 3.230 3.754 . 0 0 "[ . 1 . 2]" 1
1138 1 43 TRP HA 1 58 TRP HH2 . . 5.300 5.023 4.799 5.242 . 0 0 "[ . 1 . 2]" 1
1139 1 43 TRP HA 1 58 TRP HZ3 . . 3.830 3.143 2.833 3.450 . 0 0 "[ . 1 . 2]" 1
1140 1 43 TRP HB2 1 43 TRP HE3 . . 3.830 2.857 2.799 2.934 . 0 0 "[ . 1 . 2]" 1
1141 1 43 TRP HB2 1 44 GLN H . . 4.180 4.186 4.140 4.227 0.047 19 0 "[ . 1 . 2]" 1
1142 1 43 TRP HB2 1 59 PHE QE . . 4.060 2.871 2.729 3.089 . 0 0 "[ . 1 . 2]" 1
1143 1 43 TRP HB2 1 59 PHE HZ . . 4.340 3.320 3.189 3.447 . 0 0 "[ . 1 . 2]" 1
1144 1 43 TRP HB2 1 61 ALA HA . . 4.870 3.939 3.661 4.087 . 0 0 "[ . 1 . 2]" 1
1145 1 43 TRP HB2 1 61 ALA MB . . 4.870 3.297 2.959 3.505 . 0 0 "[ . 1 . 2]" 1
1146 1 43 TRP HB2 1 64 VAL MG2 . . 5.470 4.252 4.030 4.378 . 0 0 "[ . 1 . 2]" 1
1147 1 43 TRP HB3 1 43 TRP HE3 . . 3.830 2.890 2.814 2.947 . 0 0 "[ . 1 . 2]" 1
1148 1 43 TRP HB3 1 44 GLN H . . 3.610 3.048 2.987 3.087 . 0 0 "[ . 1 . 2]" 1
1149 1 43 TRP HB3 1 59 PHE H . . 5.170 4.856 4.748 5.035 . 0 0 "[ . 1 . 2]" 1
1150 1 43 TRP HB3 1 59 PHE QE . . 4.440 3.757 3.638 3.946 . 0 0 "[ . 1 . 2]" 1
1151 1 43 TRP HB3 1 59 PHE HZ . . 4.440 3.490 3.371 3.678 . 0 0 "[ . 1 . 2]" 1
1152 1 43 TRP HD1 1 44 GLN H . . 4.870 4.341 4.211 4.446 . 0 0 "[ . 1 . 2]" 1
1153 1 43 TRP HD1 1 61 ALA MB . . 4.210 3.887 3.651 4.115 . 0 0 "[ . 1 . 2]" 1
1154 1 43 TRP HE1 1 61 ALA MB . . 3.860 3.685 3.403 3.883 0.023 19 0 "[ . 1 . 2]" 1
1155 1 43 TRP HE3 1 59 PHE QE . . 3.940 2.977 2.812 3.288 . 0 0 "[ . 1 . 2]" 1
1156 1 43 TRP HE3 1 59 PHE HZ . . 3.870 2.958 2.768 3.277 . 0 0 "[ . 1 . 2]" 1
1157 1 43 TRP HE3 1 61 ALA HA . . 4.690 3.865 3.641 4.192 . 0 0 "[ . 1 . 2]" 1
1158 1 43 TRP HE3 1 61 ALA MB . . 4.690 3.126 2.929 3.360 . 0 0 "[ . 1 . 2]" 1
1159 1 43 TRP HE3 1 64 VAL MG2 . . 3.760 2.991 2.833 3.122 . 0 0 "[ . 1 . 2]" 1
1160 1 43 TRP HE3 1 66 LEU MD2 . . 5.110 4.135 3.796 4.519 . 0 0 "[ . 1 . 2]" 1
1161 1 43 TRP HH2 1 61 ALA MB . . 4.000 3.473 3.201 3.887 . 0 0 "[ . 1 . 2]" 1
1162 1 43 TRP HH2 1 64 VAL MG2 . . 4.550 4.548 4.434 4.599 0.049 9 0 "[ . 1 . 2]" 1
1163 1 43 TRP HH2 1 66 LEU H . . 5.300 4.260 3.992 4.487 . 0 0 "[ . 1 . 2]" 1
1164 1 43 TRP HH2 1 66 LEU HB2 . . 4.610 3.710 3.345 4.001 . 0 0 "[ . 1 . 2]" 1
1165 1 43 TRP HH2 1 66 LEU MD1 . . 3.520 2.191 1.988 2.408 . 0 0 "[ . 1 . 2]" 1
1166 1 43 TRP HH2 1 66 LEU MD2 . . 3.830 3.391 3.190 3.765 . 0 0 "[ . 1 . 2]" 1
1167 1 43 TRP HH2 1 66 LEU HG . . 3.900 2.042 1.993 2.367 . 0 0 "[ . 1 . 2]" 1
1168 1 43 TRP HZ2 1 61 ALA MB . . 3.970 3.481 3.202 3.748 . 0 0 "[ . 1 . 2]" 1
1169 1 43 TRP HZ2 1 66 LEU MD1 . . 4.870 3.566 3.277 3.842 . 0 0 "[ . 1 . 2]" 1
1170 1 43 TRP HZ2 1 66 LEU HG . . 5.500 4.518 4.399 4.796 . 0 0 "[ . 1 . 2]" 1
1171 1 43 TRP HZ3 1 61 ALA MB . . 5.300 3.281 2.926 3.755 . 0 0 "[ . 1 . 2]" 1
1172 1 43 TRP HZ3 1 64 VAL MG2 . . 3.390 2.995 2.822 3.124 . 0 0 "[ . 1 . 2]" 1
1173 1 43 TRP HZ3 1 66 LEU H . . 5.500 4.239 3.979 4.537 . 0 0 "[ . 1 . 2]" 1
1174 1 43 TRP HZ3 1 66 LEU HB2 . . 5.060 4.452 4.157 4.772 . 0 0 "[ . 1 . 2]" 1
1175 1 43 TRP HZ3 1 66 LEU MD1 . . 4.120 3.423 3.219 3.673 . 0 0 "[ . 1 . 2]" 1
1176 1 43 TRP HZ3 1 66 LEU MD2 . . 3.480 2.558 2.142 2.911 . 0 0 "[ . 1 . 2]" 1
1177 1 43 TRP HZ3 1 66 LEU HG . . 4.180 2.184 1.994 2.480 . 0 0 "[ . 1 . 2]" 1
1178 1 44 GLN H 1 44 GLN HB2 . . 3.830 2.769 2.661 2.843 . 0 0 "[ . 1 . 2]" 1
1179 1 44 GLN H 1 44 GLN HB3 . . 3.640 2.665 2.602 2.823 . 0 0 "[ . 1 . 2]" 1
1180 1 44 GLN H 1 44 GLN HG3 . . 5.090 4.591 4.534 4.641 . 0 0 "[ . 1 . 2]" 1
1181 1 44 GLN H 1 45 GLY H . . 5.170 4.100 4.029 4.274 . 0 0 "[ . 1 . 2]" 1
1182 1 44 GLN H 1 58 TRP HA . . 4.870 4.450 3.928 4.608 . 0 0 "[ . 1 . 2]" 1
1183 1 44 GLN H 1 58 TRP HE3 . . 5.030 4.017 3.851 4.188 . 0 0 "[ . 1 . 2]" 1
1184 1 44 GLN H 1 58 TRP HH2 . . 5.500 4.559 4.366 4.863 . 0 0 "[ . 1 . 2]" 1
1185 1 44 GLN H 1 58 TRP HZ3 . . 4.540 3.712 3.461 4.168 . 0 0 "[ . 1 . 2]" 1
1186 1 44 GLN H 1 59 PHE QE . . 5.500 5.273 5.061 5.458 . 0 0 "[ . 1 . 2]" 1
1187 1 44 GLN HA 1 44 GLN HG2 . . 3.870 2.823 2.589 2.924 . 0 0 "[ . 1 . 2]" 1
1188 1 44 GLN HA 1 44 GLN HG3 . . 3.830 2.529 2.497 2.671 . 0 0 "[ . 1 . 2]" 1
1189 1 44 GLN HA 1 45 GLY H . . 3.180 2.248 2.205 2.270 . 0 0 "[ . 1 . 2]" 1
1190 1 44 GLN HA 1 57 GLY H . . 4.910 4.059 3.831 4.266 . 0 0 "[ . 1 . 2]" 1
1191 1 44 GLN HA 1 58 TRP HA . . 3.080 2.364 1.976 2.524 . 0 0 "[ . 1 . 2]" 1
1192 1 44 GLN HA 1 58 TRP HB3 . . 5.110 4.606 4.376 4.758 . 0 0 "[ . 1 . 2]" 1
1193 1 44 GLN HA 1 58 TRP HE1 . . 5.500 5.553 5.506 5.617 0.117 9 0 "[ . 1 . 2]" 1
1194 1 44 GLN HA 1 58 TRP HE3 . . 4.870 4.222 4.033 4.609 . 0 0 "[ . 1 . 2]" 1
1195 1 44 GLN HA 1 59 PHE H . . 4.260 3.614 3.327 3.894 . 0 0 "[ . 1 . 2]" 1
1196 1 44 GLN HA 1 59 PHE QE . . 4.870 4.334 4.014 4.545 . 0 0 "[ . 1 . 2]" 1
1197 1 44 GLN HB2 1 45 GLY H . . 4.910 4.632 4.536 4.645 . 0 0 "[ . 1 . 2]" 1
1198 1 44 GLN HB2 1 58 TRP HA . . 4.690 3.543 3.010 3.798 . 0 0 "[ . 1 . 2]" 1
1199 1 44 GLN HB2 1 58 TRP HD1 . . 5.500 4.425 3.684 4.689 . 0 0 "[ . 1 . 2]" 1
1200 1 44 GLN HB2 1 58 TRP HE1 . . 5.450 3.812 3.452 3.954 . 0 0 "[ . 1 . 2]" 1
1201 1 44 GLN HB2 1 58 TRP HE3 . . 5.060 3.452 3.339 3.592 . 0 0 "[ . 1 . 2]" 1
1202 1 44 GLN HB2 1 58 TRP HH2 . . 4.870 3.695 3.365 4.434 . 0 0 "[ . 1 . 2]" 1
1203 1 44 GLN HB2 1 58 TRP HZ2 . . 4.730 3.367 3.225 3.723 . 0 0 "[ . 1 . 2]" 1
1204 1 44 GLN HB2 1 58 TRP HZ3 . . 4.690 3.693 3.396 4.337 . 0 0 "[ . 1 . 2]" 1
1205 1 44 GLN HB2 1 59 PHE H . . 5.470 5.159 4.814 5.328 . 0 0 "[ . 1 . 2]" 1
1206 1 44 GLN HB3 1 45 GLY H . . 5.110 4.446 4.299 4.509 . 0 0 "[ . 1 . 2]" 1
1207 1 44 GLN HB3 1 58 TRP HE3 . . 5.110 5.000 4.889 5.217 0.107 9 0 "[ . 1 . 2]" 1
1208 1 44 GLN HB3 1 58 TRP HZ2 . . 4.730 3.964 3.870 4.227 . 0 0 "[ . 1 . 2]" 1
1209 1 44 GLN HE21 1 44 GLN HG3 . . 3.610 2.379 2.162 3.565 . 0 0 "[ . 1 . 2]" 1
1210 1 44 GLN HE21 1 56 LYS QD . . 5.500 2.724 2.262 3.778 . 0 0 "[ . 1 . 2]" 1
1211 1 44 GLN HE21 1 57 GLY HA2 . . 5.110 3.587 3.173 5.175 0.065 9 0 "[ . 1 . 2]" 1
1212 1 44 GLN HE21 1 58 TRP HD1 . . 4.870 3.668 3.214 5.006 0.136 9 0 "[ . 1 . 2]" 1
1213 1 44 GLN HE21 1 58 TRP HE1 . . 4.060 3.083 2.515 3.979 . 0 0 "[ . 1 . 2]" 1
1214 1 44 GLN HE21 1 58 TRP HZ2 . . 5.060 4.896 4.419 5.063 0.003 18 0 "[ . 1 . 2]" 1
1215 1 44 GLN HE22 1 56 LYS QD . . 5.110 3.805 3.449 4.647 . 0 0 "[ . 1 . 2]" 1
1216 1 44 GLN HE22 1 56 LYS HE2 . . 5.500 4.033 2.850 5.394 . 0 0 "[ . 1 . 2]" 1
1217 1 44 GLN HE22 1 56 LYS HE3 . . 5.110 4.653 3.173 5.500 0.390 15 0 "[ . 1 . 2]" 1
1218 1 44 GLN HE22 1 58 TRP HE1 . . 4.510 2.774 2.430 3.240 . 0 0 "[ . 1 . 2]" 1
1219 1 44 GLN HE22 1 58 TRP HZ2 . . 5.060 4.178 3.907 4.398 . 0 0 "[ . 1 . 2]" 1
1220 1 44 GLN HG2 1 45 GLY H . . 3.770 3.627 3.149 3.776 0.006 18 0 "[ . 1 . 2]" 1
1221 1 44 GLN HG2 1 45 GLY HA3 . . 5.190 5.191 4.878 5.238 0.048 14 0 "[ . 1 . 2]" 1
1222 1 44 GLN HG2 1 57 GLY H . . 4.550 3.944 3.054 4.220 . 0 0 "[ . 1 . 2]" 1
1223 1 44 GLN HG2 1 57 GLY HA2 . . 5.110 4.277 2.980 4.701 . 0 0 "[ . 1 . 2]" 1
1224 1 44 GLN HG2 1 58 TRP HA . . 4.690 4.520 3.676 4.718 0.028 6 0 "[ . 1 . 2]" 1
1225 1 44 GLN HG2 1 58 TRP HD1 . . 5.300 4.999 3.975 5.303 0.003 6 0 "[ . 1 . 2]" 1
1226 1 44 GLN HG2 1 58 TRP HE1 . . 5.450 4.672 4.298 4.871 . 0 0 "[ . 1 . 2]" 1
1227 1 44 GLN HG3 1 45 GLY H . . 4.100 4.110 3.984 4.177 0.077 9 0 "[ . 1 . 2]" 1
1228 1 44 GLN HG3 1 57 GLY H . . 4.690 3.976 3.744 4.452 . 0 0 "[ . 1 . 2]" 1
1229 1 44 GLN HG3 1 57 GLY HA2 . . 4.440 3.378 2.707 3.650 . 0 0 "[ . 1 . 2]" 1
1230 1 44 GLN HG3 1 58 TRP HA . . 4.440 3.294 2.570 3.531 . 0 0 "[ . 1 . 2]" 1
1231 1 44 GLN HG3 1 58 TRP HD1 . . 4.870 3.323 2.416 3.595 . 0 0 "[ . 1 . 2]" 1
1232 1 44 GLN HG3 1 58 TRP HE1 . . 4.760 3.487 3.218 3.660 . 0 0 "[ . 1 . 2]" 1
1233 1 44 GLN HG3 1 58 TRP HZ2 . . 5.300 4.673 4.357 5.354 0.054 9 0 "[ . 1 . 2]" 1
1234 1 44 GLN HG3 1 59 PHE H . . 5.500 5.369 4.880 5.518 0.018 16 0 "[ . 1 . 2]" 1
1235 1 45 GLY H 1 56 LYS HA . . 4.690 4.672 4.361 4.738 0.048 10 0 "[ . 1 . 2]" 1
1236 1 45 GLY H 1 56 LYS QD . . 5.250 4.557 3.285 5.301 0.051 16 0 "[ . 1 . 2]" 1
1237 1 45 GLY H 1 57 GLY H . . 3.680 3.440 3.083 3.562 . 0 0 "[ . 1 . 2]" 1
1238 1 45 GLY H 1 58 TRP HA . . 4.180 3.979 3.784 4.145 . 0 0 "[ . 1 . 2]" 1
1239 1 45 GLY H 1 59 PHE QE . . 3.760 2.589 2.401 2.954 . 0 0 "[ . 1 . 2]" 1
1240 1 45 GLY H 1 59 PHE HZ . . 5.250 4.591 4.357 5.025 . 0 0 "[ . 1 . 2]" 1
1241 1 45 GLY HA2 1 46 GLU H . . 3.370 2.684 2.615 2.823 . 0 0 "[ . 1 . 2]" 1
1242 1 45 GLY HA2 1 59 PHE QE . . 4.500 4.213 3.954 4.515 0.015 10 0 "[ . 1 . 2]" 1
1243 1 45 GLY HA3 1 46 GLU H . . 3.470 2.559 2.437 2.624 . 0 0 "[ . 1 . 2]" 1
1244 1 45 GLY HA3 1 46 GLU HA . . 5.110 4.364 4.338 4.395 . 0 0 "[ . 1 . 2]" 1
1245 1 45 GLY HA3 1 57 GLY H . . 5.500 5.195 4.980 5.320 . 0 0 "[ . 1 . 2]" 1
1246 1 45 GLY HA3 1 59 PHE QE . . 3.690 2.665 2.364 2.993 . 0 0 "[ . 1 . 2]" 1
1247 1 45 GLY HA3 1 59 PHE HZ . . 4.550 4.046 3.847 4.336 . 0 0 "[ . 1 . 2]" 1
1248 1 46 GLU H 1 46 GLU QB . . 3.700 2.519 2.465 2.585 . 0 0 "[ . 1 . 2]" 1
1249 1 46 GLU H 1 46 GLU QG . . 4.690 4.084 4.023 4.145 . 0 0 "[ . 1 . 2]" 1
1250 1 46 GLU H 1 56 LYS HA . . 5.450 4.866 4.663 5.008 . 0 0 "[ . 1 . 2]" 1
1251 1 46 GLU H 1 59 PHE QE . . 5.500 4.542 4.299 4.790 . 0 0 "[ . 1 . 2]" 1
1252 1 46 GLU HA 1 46 GLU QG . . 3.430 2.359 1.999 2.551 . 0 0 "[ . 1 . 2]" 1
1253 1 46 GLU HA 1 47 LEU H . . 2.890 2.249 2.206 2.404 . 0 0 "[ . 1 . 2]" 1
1254 1 46 GLU HA 1 47 LEU HA . . 4.870 4.339 4.326 4.362 . 0 0 "[ . 1 . 2]" 1
1255 1 46 GLU HA 1 47 LEU HB2 . . 4.870 4.223 4.143 4.497 . 0 0 "[ . 1 . 2]" 1
1256 1 46 GLU HA 1 56 LYS H . . 5.450 4.638 4.457 4.780 . 0 0 "[ . 1 . 2]" 1
1257 1 46 GLU HA 1 56 LYS HA . . 3.020 2.316 2.031 2.508 . 0 0 "[ . 1 . 2]" 1
1258 1 46 GLU HA 1 56 LYS QB . . 3.910 3.266 2.465 3.764 . 0 0 "[ . 1 . 2]" 1
1259 1 46 GLU HA 1 56 LYS HG3 . . 4.870 3.862 3.617 4.949 0.079 11 0 "[ . 1 . 2]" 1
1260 1 46 GLU HA 1 57 GLY H . . 4.260 3.897 3.639 4.028 . 0 0 "[ . 1 . 2]" 1
1261 1 46 GLU QB 1 47 LEU H . . 4.550 3.720 3.313 3.889 . 0 0 "[ . 1 . 2]" 1
1262 1 46 GLU QB 1 48 GLN HE21 . . 4.570 2.615 1.951 3.480 . 0 0 "[ . 1 . 2]" 1
1263 1 46 GLU QB 1 48 GLN HE22 . . 4.450 3.236 2.253 4.303 . 0 0 "[ . 1 . 2]" 1
1264 1 46 GLU QB 1 56 LYS HA . . 4.550 3.785 3.487 4.140 . 0 0 "[ . 1 . 2]" 1
1265 1 46 GLU QB 1 56 LYS QB . . 4.440 3.201 2.697 3.795 . 0 0 "[ . 1 . 2]" 1
1266 1 46 GLU QB 1 56 LYS HG3 . . 4.690 2.827 2.202 5.352 0.662 11 1 "[ . 1+ . 2]" 1
1267 1 46 GLU QG 1 47 LEU H . . 3.950 2.503 2.082 2.914 . 0 0 "[ . 1 . 2]" 1
1268 1 46 GLU QG 1 47 LEU HB2 . . 4.870 4.208 3.943 4.557 . 0 0 "[ . 1 . 2]" 1
1269 1 46 GLU QG 1 48 GLN HE22 . . 4.870 4.126 3.265 5.084 0.214 16 0 "[ . 1 . 2]" 1
1270 1 46 GLU QG 1 54 ARG HD2 . . 4.870 3.594 2.541 4.420 . 0 0 "[ . 1 . 2]" 1
1271 1 46 GLU QG 1 54 ARG HD3 . . 5.110 3.689 2.828 4.903 . 0 0 "[ . 1 . 2]" 1
1272 1 46 GLU QG 1 56 LYS HA . . 4.260 3.308 2.546 3.832 . 0 0 "[ . 1 . 2]" 1
1273 1 46 GLU QG 1 56 LYS QB . . 3.910 2.209 1.767 3.003 . 0 0 "[ . 1 . 2]" 1
1274 1 46 GLU QG 1 56 LYS HG2 . . 4.690 3.540 3.004 3.958 . 0 0 "[ . 1 . 2]" 1
1275 1 46 GLU QG 1 56 LYS HG3 . . 4.690 3.266 2.869 4.313 . 0 0 "[ . 1 . 2]" 1
1276 1 47 LEU H 1 47 LEU HB2 . . 3.320 2.134 1.999 2.667 . 0 0 "[ . 1 . 2]" 1
1277 1 47 LEU H 1 47 LEU HB3 . . 3.390 2.873 2.367 3.044 . 0 0 "[ . 1 . 2]" 1
1278 1 47 LEU H 1 47 LEU QD . . 4.550 3.619 3.517 3.726 . 0 0 "[ . 1 . 2]" 1
1279 1 47 LEU H 1 47 LEU HG . . 3.950 4.020 3.852 4.397 0.447 15 0 "[ . 1 . 2]" 1
1280 1 47 LEU H 1 55 GLN H . . 4.260 3.905 3.386 4.242 . 0 0 "[ . 1 . 2]" 1
1281 1 47 LEU H 1 55 GLN HB2 . . 4.690 3.147 2.715 3.517 . 0 0 "[ . 1 . 2]" 1
1282 1 47 LEU H 1 55 GLN HB3 . . 5.110 2.954 2.692 3.395 . 0 0 "[ . 1 . 2]" 1
1283 1 47 LEU H 1 56 LYS HA . . 3.950 3.540 3.200 3.749 . 0 0 "[ . 1 . 2]" 1
1284 1 47 LEU H 1 56 LYS QB . . 5.030 4.355 3.927 4.821 . 0 0 "[ . 1 . 2]" 1
1285 1 47 LEU HA 1 47 LEU QD . . 3.180 2.571 2.331 2.807 . 0 0 "[ . 1 . 2]" 1
1286 1 47 LEU HA 1 47 LEU HG . . 3.330 2.385 2.170 2.864 . 0 0 "[ . 1 . 2]" 1
1287 1 47 LEU HA 1 48 GLN H . . 2.890 2.196 2.176 2.257 . 0 0 "[ . 1 . 2]" 1
1288 1 47 LEU HA 1 48 GLN QG . . 4.550 3.783 3.490 3.952 . 0 0 "[ . 1 . 2]" 1
1289 1 47 LEU HB2 1 47 LEU QD . . 3.270 2.078 1.981 2.217 . 0 0 "[ . 1 . 2]" 1
1290 1 47 LEU HB2 1 48 GLN H . . 4.750 4.506 4.130 4.647 . 0 0 "[ . 1 . 2]" 1
1291 1 47 LEU HB2 1 55 GLN H . . 4.550 3.917 3.410 4.574 0.024 15 0 "[ . 1 . 2]" 1
1292 1 47 LEU HB2 1 55 GLN HB2 . . 4.060 2.204 1.982 3.016 . 0 0 "[ . 1 . 2]" 1
1293 1 47 LEU HB2 1 55 GLN HB3 . . 4.340 2.176 1.994 2.761 . 0 0 "[ . 1 . 2]" 1
1294 1 47 LEU HB3 1 48 GLN H . . 4.120 4.048 3.851 4.138 0.018 9 0 "[ . 1 . 2]" 1
1295 1 47 LEU HB3 1 49 ALA H . . 4.480 3.085 2.674 4.043 . 0 0 "[ . 1 . 2]" 1
1296 1 47 LEU HB3 1 55 GLN H . . 4.060 3.284 2.914 3.741 . 0 0 "[ . 1 . 2]" 1
1297 1 47 LEU QD 1 48 GLN H . . 3.460 2.667 1.925 3.149 . 0 0 "[ . 1 . 2]" 1
1298 1 47 LEU QD 1 48 GLN HB2 . . 4.690 4.290 3.593 4.591 . 0 0 "[ . 1 . 2]" 1
1299 1 47 LEU QD 1 49 ALA H . . 4.850 2.140 1.874 3.118 . 0 0 "[ . 1 . 2]" 1
1300 1 47 LEU QD 1 49 ALA MB . . 3.590 1.880 1.674 2.461 . 0 0 "[ . 1 . 2]" 1
1301 1 47 LEU QD 1 55 GLN H . . 4.870 3.977 3.249 4.392 . 0 0 "[ . 1 . 2]" 1
1302 1 47 LEU QD 1 55 GLN HB3 . . 4.180 2.674 2.129 3.273 . 0 0 "[ . 1 . 2]" 1
1303 1 47 LEU QD 1 55 GLN HE22 . . 5.500 3.986 2.797 5.391 . 0 0 "[ . 1 . 2]" 1
1304 1 47 LEU QD 1 55 GLN HG2 . . 4.260 2.849 2.324 3.619 . 0 0 "[ . 1 . 2]" 1
1305 1 47 LEU HG 1 48 GLN H . . 4.000 3.551 2.450 4.009 0.009 11 0 "[ . 1 . 2]" 1
1306 1 47 LEU HG 1 49 ALA H . . 4.300 3.986 2.732 4.320 0.020 20 0 "[ . 1 . 2]" 1
1307 1 47 LEU HG 1 55 GLN HB2 . . 4.340 4.330 4.236 4.381 0.041 1 0 "[ . 1 . 2]" 1
1308 1 48 GLN H 1 48 GLN HB2 . . 3.470 2.419 2.312 2.544 . 0 0 "[ . 1 . 2]" 1
1309 1 48 GLN H 1 48 GLN HB3 . . 3.690 3.606 3.554 3.693 0.003 13 0 "[ . 1 . 2]" 1
1310 1 48 GLN H 1 48 GLN HE22 . . 5.340 5.316 4.745 5.904 0.564 13 2 "[- . 1 + . 2]" 1
1311 1 48 GLN H 1 48 GLN QG . . 3.310 2.573 2.394 2.719 . 0 0 "[ . 1 . 2]" 1
1312 1 48 GLN H 1 49 ALA H . . 4.370 3.057 2.857 3.493 . 0 0 "[ . 1 . 2]" 1
1313 1 48 GLN H 1 49 ALA MB . . 5.340 3.793 3.621 3.971 . 0 0 "[ . 1 . 2]" 1
1314 1 48 GLN HA 1 48 GLN HE21 . . 5.340 3.116 2.405 3.600 . 0 0 "[ . 1 . 2]" 1
1315 1 48 GLN HA 1 48 GLN HE22 . . 4.850 3.546 2.964 3.998 . 0 0 "[ . 1 . 2]" 1
1316 1 48 GLN HA 1 48 GLN QG . . 3.500 2.805 2.582 2.954 . 0 0 "[ . 1 . 2]" 1
1317 1 48 GLN HA 1 49 ALA H . . 2.960 2.871 2.518 3.013 0.053 11 0 "[ . 1 . 2]" 1
1318 1 48 GLN HB2 1 49 ALA H . . 4.680 4.272 4.132 4.536 . 0 0 "[ . 1 . 2]" 1
1319 1 48 GLN HB3 1 48 GLN HE22 . . 5.110 4.565 4.420 4.705 . 0 0 "[ . 1 . 2]" 1
1320 1 48 GLN HB3 1 48 GLN QG . . 2.620 2.421 2.361 2.508 . 0 0 "[ . 1 . 2]" 1
1321 1 48 GLN HB3 1 49 ALA H . . 4.370 4.499 4.390 4.555 0.185 9 0 "[ . 1 . 2]" 1
1322 1 48 GLN HB3 1 49 ALA MB . . 5.110 4.911 4.193 5.125 0.015 15 0 "[ . 1 . 2]" 1
1323 1 48 GLN HE22 1 48 GLN QG . . 3.330 3.255 3.236 3.312 . 0 0 "[ . 1 . 2]" 1
1324 1 48 GLN QG 1 49 ALA H . . 4.690 4.705 4.635 4.793 0.103 15 0 "[ . 1 . 2]" 1
1325 1 49 ALA H 1 49 ALA MB . . 3.250 2.555 2.408 2.856 . 0 0 "[ . 1 . 2]" 1
1326 1 49 ALA H 1 50 ARG H . . 4.910 4.045 2.634 4.511 . 0 0 "[ . 1 . 2]" 1
1327 1 49 ALA HA 1 50 ARG H . . 3.390 2.395 2.187 2.726 . 0 0 "[ . 1 . 2]" 1
1328 1 49 ALA MB 1 50 ARG H . . 3.830 3.117 2.169 3.793 . 0 0 "[ . 1 . 2]" 1
1329 1 49 ALA MB 1 50 ARG HA . . 5.110 4.517 3.892 5.095 . 0 0 "[ . 1 . 2]" 1
1330 1 50 ARG H 1 50 ARG QB . . 3.650 2.690 2.020 3.374 . 0 0 "[ . 1 . 2]" 1
1331 1 50 ARG H 1 50 ARG QG . . 4.850 3.102 2.041 4.354 . 0 0 "[ . 1 . 2]" 1
1332 1 50 ARG HA 1 50 ARG QD . . 4.550 3.501 2.453 4.315 . 0 0 "[ . 1 . 2]" 1
1333 1 50 ARG HA 1 50 ARG QG . . 4.000 2.392 2.059 3.340 . 0 0 "[ . 1 . 2]" 1
1334 1 50 ARG HA 1 51 GLY H . . 3.610 2.411 2.226 2.865 . 0 0 "[ . 1 . 2]" 1
1335 1 50 ARG HA 1 51 GLY HA3 . . 4.440 4.401 4.363 4.458 0.018 11 0 "[ . 1 . 2]" 1
1336 1 50 ARG QB 1 51 GLY H . . 4.910 3.000 1.940 3.699 . 0 0 "[ . 1 . 2]" 1
1337 1 50 ARG QB 1 51 GLY HA2 . . 5.110 4.078 3.605 4.622 . 0 0 "[ . 1 . 2]" 1
1338 1 50 ARG QB 1 51 GLY HA3 . . 5.110 4.692 4.104 5.110 0.000 3 0 "[ . 1 . 2]" 1
1339 1 51 GLY H 1 52 LYS H . . 5.450 3.969 2.486 4.638 . 0 0 "[ . 1 . 2]" 1
1340 1 51 GLY HA2 1 53 LYS H . . 5.170 4.621 3.692 5.193 0.023 15 0 "[ . 1 . 2]" 1
1341 1 51 GLY HA3 1 53 LYS H . . 5.500 4.411 3.711 5.489 . 0 0 "[ . 1 . 2]" 1
1342 1 52 LYS H 1 52 LYS HB2 . . 4.060 2.780 2.036 3.526 . 0 0 "[ . 1 . 2]" 1
1343 1 52 LYS H 1 52 LYS QG . . 4.550 3.622 1.877 4.243 . 0 0 "[ . 1 . 2]" 1
1344 1 52 LYS HB2 1 53 LYS H . . 3.890 3.215 2.398 3.852 . 0 0 "[ . 1 . 2]" 1
1345 1 52 LYS HB3 1 53 LYS H . . 3.250 2.594 2.103 3.837 0.587 19 1 "[ . 1 . +2]" 1
1346 1 52 LYS QG 1 53 LYS H . . 4.670 3.982 1.918 4.429 . 0 0 "[ . 1 . 2]" 1
1347 1 53 LYS H 1 53 LYS QB . . 3.670 2.752 2.034 3.271 . 0 0 "[ . 1 . 2]" 1
1348 1 53 LYS H 1 53 LYS HG2 . . 4.550 3.774 1.989 5.071 0.521 12 2 "[ . 1 + -. 2]" 1
1349 1 53 LYS H 1 54 ARG H . . 4.350 4.029 2.479 4.372 0.022 20 0 "[ . 1 . 2]" 1
1350 1 53 LYS HA 1 53 LYS HG2 . . 3.790 2.970 2.000 3.930 0.140 16 0 "[ . 1 . 2]" 1
1351 1 53 LYS HA 1 53 LYS HG3 . . 4.260 3.044 1.960 4.062 . 0 0 "[ . 1 . 2]" 1
1352 1 53 LYS HA 1 54 ARG H . . 3.040 2.359 2.177 2.737 . 0 0 "[ . 1 . 2]" 1
1353 1 53 LYS QB 1 53 LYS QE . . 3.730 3.138 2.101 3.645 . 0 0 "[ . 1 . 2]" 1
1354 1 53 LYS QB 1 54 ARG H . . 4.340 3.386 2.101 4.083 . 0 0 "[ . 1 . 2]" 1
1355 1 53 LYS HG2 1 54 ARG H . . 4.850 4.176 2.796 5.523 0.673 16 1 "[ . 1 .+ 2]" 1
1356 1 54 ARG H 1 54 ARG QB . . 3.150 2.492 2.188 3.158 0.008 17 0 "[ . 1 . 2]" 1
1357 1 54 ARG H 1 54 ARG HD2 . . 5.110 4.806 3.118 5.110 . 0 0 "[ . 1 . 2]" 1
1358 1 54 ARG H 1 54 ARG HD3 . . 5.110 4.574 2.122 5.036 . 0 0 "[ . 1 . 2]" 1
1359 1 54 ARG H 1 54 ARG HG2 . . 3.950 2.738 2.445 3.250 . 0 0 "[ . 1 . 2]" 1
1360 1 54 ARG H 1 54 ARG HG3 . . 4.030 3.196 2.542 3.998 . 0 0 "[ . 1 . 2]" 1
1361 1 54 ARG HA 1 54 ARG HD2 . . 4.340 3.910 2.767 4.368 0.028 20 0 "[ . 1 . 2]" 1
1362 1 54 ARG HA 1 54 ARG HD3 . . 4.260 3.223 2.248 4.335 0.075 11 0 "[ . 1 . 2]" 1
1363 1 54 ARG HA 1 54 ARG HG2 . . 3.910 2.486 2.136 4.212 0.302 11 0 "[ . 1 . 2]" 1
1364 1 54 ARG HA 1 55 GLN H . . 2.840 2.283 2.231 2.350 . 0 0 "[ . 1 . 2]" 1
1365 1 54 ARG QB 1 54 ARG HD2 . . 3.410 2.284 1.953 2.837 . 0 0 "[ . 1 . 2]" 1
1366 1 54 ARG QB 1 54 ARG HD3 . . 3.870 2.664 2.112 3.340 . 0 0 "[ . 1 . 2]" 1
1367 1 54 ARG QB 1 54 ARG HG3 . . 2.790 2.209 2.179 2.550 . 0 0 "[ . 1 . 2]" 1
1368 1 55 GLN H 1 55 GLN HB2 . . 3.460 2.109 2.043 2.252 . 0 0 "[ . 1 . 2]" 1
1369 1 55 GLN H 1 55 GLN HB3 . . 3.850 3.402 3.318 3.500 . 0 0 "[ . 1 . 2]" 1
1370 1 55 GLN H 1 55 GLN HG2 . . 4.090 4.205 3.094 4.332 0.242 16 0 "[ . 1 . 2]" 1
1371 1 55 GLN H 1 55 GLN HG3 . . 4.260 3.669 3.192 4.262 0.002 3 0 "[ . 1 . 2]" 1
1372 1 55 GLN HA 1 55 GLN HG2 . . 4.000 3.269 2.584 3.559 . 0 0 "[ . 1 . 2]" 1
1373 1 55 GLN HA 1 55 GLN HG3 . . 4.000 2.202 1.990 3.550 . 0 0 "[ . 1 . 2]" 1
1374 1 55 GLN HA 1 56 LYS H . . 2.850 2.249 2.202 2.391 . 0 0 "[ . 1 . 2]" 1
1375 1 55 GLN HA 1 56 LYS HA . . 5.110 4.430 4.370 4.535 . 0 0 "[ . 1 . 2]" 1
1376 1 55 GLN HA 1 56 LYS QB . . 4.550 4.021 3.882 4.230 . 0 0 "[ . 1 . 2]" 1
1377 1 55 GLN HB2 1 56 LYS H . . 4.550 4.468 4.199 4.687 0.137 16 0 "[ . 1 . 2]" 1
1378 1 55 GLN HB3 1 56 LYS H . . 4.030 3.477 2.969 4.045 0.015 11 0 "[ . 1 . 2]" 1
1379 1 55 GLN HG2 1 56 LYS H . . 4.870 4.570 4.259 4.882 0.012 3 0 "[ . 1 . 2]" 1
1380 1 55 GLN HG3 1 56 LYS H . . 4.640 3.724 3.097 4.712 0.072 11 0 "[ . 1 . 2]" 1
1381 1 56 LYS H 1 56 LYS QB . . 3.410 2.798 2.550 2.951 . 0 0 "[ . 1 . 2]" 1
1382 1 56 LYS H 1 56 LYS QD . . 5.090 4.378 4.027 4.695 . 0 0 "[ . 1 . 2]" 1
1383 1 56 LYS HA 1 56 LYS QD . . 4.440 3.272 2.629 3.705 . 0 0 "[ . 1 . 2]" 1
1384 1 56 LYS HA 1 56 LYS HG2 . . 4.120 2.265 2.046 4.011 . 0 0 "[ . 1 . 2]" 1
1385 1 56 LYS HA 1 57 GLY H . . 3.000 2.194 2.183 2.222 . 0 0 "[ . 1 . 2]" 1
1386 1 56 LYS HA 1 57 GLY HA2 . . 5.110 4.434 4.419 4.466 . 0 0 "[ . 1 . 2]" 1
1387 1 56 LYS QB 1 56 LYS HE2 . . 4.260 3.713 2.077 4.281 0.021 11 0 "[ . 1 . 2]" 1
1388 1 56 LYS QB 1 56 LYS HE3 . . 4.340 3.299 2.350 4.346 0.006 16 0 "[ . 1 . 2]" 1
1389 1 56 LYS QB 1 57 GLY H . . 3.790 3.793 3.722 3.834 0.044 17 0 "[ . 1 . 2]" 1
1390 1 56 LYS QD 1 57 GLY H . . 4.570 3.026 2.262 3.664 . 0 0 "[ . 1 . 2]" 1
1391 1 56 LYS QD 1 57 GLY HA2 . . 4.690 3.094 2.831 3.355 . 0 0 "[ . 1 . 2]" 1
1392 1 56 LYS QD 1 57 GLY HA3 . . 4.440 4.220 3.954 4.459 0.019 20 0 "[ . 1 . 2]" 1
1393 1 56 LYS HE2 1 56 LYS HG3 . . 4.060 2.949 1.975 3.485 . 0 0 "[ . 1 . 2]" 1
1394 1 56 LYS HE3 1 56 LYS HG3 . . 4.060 2.614 2.000 3.969 . 0 0 "[ . 1 . 2]" 1
1395 1 56 LYS HG2 1 57 GLY H . . 4.450 2.971 2.447 4.716 0.266 11 0 "[ . 1 . 2]" 1
1396 1 56 LYS HG3 1 57 GLY H . . 4.690 4.442 3.578 4.700 0.010 14 0 "[ . 1 . 2]" 1
1397 1 57 GLY H 1 58 TRP H . . 4.960 4.352 4.327 4.367 . 0 0 "[ . 1 . 2]" 1
1398 1 57 GLY HA2 1 58 TRP H . . 3.540 2.704 2.555 2.822 . 0 0 "[ . 1 . 2]" 1
1399 1 57 GLY HA2 1 58 TRP HD1 . . 4.420 3.568 3.382 3.684 . 0 0 "[ . 1 . 2]" 1
1400 1 57 GLY HA2 1 58 TRP HE1 . . 5.500 5.239 5.068 5.397 . 0 0 "[ . 1 . 2]" 1
1401 1 57 GLY HA3 1 58 TRP H . . 3.520 2.540 2.436 2.686 . 0 0 "[ . 1 . 2]" 1
1402 1 57 GLY HA3 1 58 TRP HD1 . . 4.730 4.630 4.470 4.750 0.020 16 0 "[ . 1 . 2]" 1
1403 1 58 TRP H 1 58 TRP HB2 . . 3.570 2.363 2.312 2.402 . 0 0 "[ . 1 . 2]" 1
1404 1 58 TRP H 1 58 TRP HD1 . . 3.610 2.876 2.489 3.030 . 0 0 "[ . 1 . 2]" 1
1405 1 58 TRP H 1 58 TRP HE1 . . 5.500 5.334 5.008 5.486 . 0 0 "[ . 1 . 2]" 1
1406 1 58 TRP H 1 58 TRP HE3 . . 5.500 5.503 5.463 5.550 0.050 10 0 "[ . 1 . 2]" 1
1407 1 58 TRP HA 1 58 TRP HD1 . . 5.110 3.964 3.829 4.015 . 0 0 "[ . 1 . 2]" 1
1408 1 58 TRP HA 1 58 TRP HE3 . . 4.000 3.309 3.215 3.533 . 0 0 "[ . 1 . 2]" 1
1409 1 58 TRP HA 1 59 PHE H . . 3.070 2.250 2.205 2.315 . 0 0 "[ . 1 . 2]" 1
1410 1 58 TRP HA 1 59 PHE QD . . 4.340 3.977 3.642 4.210 . 0 0 "[ . 1 . 2]" 1
1411 1 58 TRP HB2 1 58 TRP HD1 . . 3.840 2.770 2.745 2.836 . 0 0 "[ . 1 . 2]" 1
1412 1 58 TRP HB2 1 59 PHE H . . 4.540 4.300 4.075 4.534 . 0 0 "[ . 1 . 2]" 1
1413 1 58 TRP HB3 1 58 TRP HE3 . . 3.700 2.459 2.397 2.489 . 0 0 "[ . 1 . 2]" 1
1414 1 58 TRP HB3 1 59 PHE H . . 3.740 3.308 2.944 3.775 0.035 20 0 "[ . 1 . 2]" 1
1415 1 58 TRP HE3 1 59 PHE H . . 4.610 3.826 3.370 4.367 . 0 0 "[ . 1 . 2]" 1
1416 1 59 PHE H 1 59 PHE QD . . 4.120 3.116 2.747 3.321 . 0 0 "[ . 1 . 2]" 1
1417 1 59 PHE H 1 59 PHE QE . . 5.300 4.408 4.200 4.575 . 0 0 "[ . 1 . 2]" 1
1418 1 59 PHE H 1 60 PRO HD3 . . 5.170 4.702 4.621 4.776 . 0 0 "[ . 1 . 2]" 1
1419 1 59 PHE HA 1 60 PRO HD2 . . 3.480 2.786 2.733 2.823 . 0 0 "[ . 1 . 2]" 1
1420 1 59 PHE HA 1 60 PRO HD3 . . 3.200 2.041 2.011 2.064 . 0 0 "[ . 1 . 2]" 1
1421 1 59 PHE HA 1 60 PRO HG3 . . 4.690 4.301 4.275 4.321 . 0 0 "[ . 1 . 2]" 1
1422 1 59 PHE HB2 1 60 PRO HD2 . . 3.390 2.053 1.980 2.162 . 0 0 "[ . 1 . 2]" 1
1423 1 59 PHE HB2 1 60 PRO HD3 . . 3.670 3.036 2.968 3.137 . 0 0 "[ . 1 . 2]" 1
1424 1 59 PHE HB2 1 60 PRO HG2 . . 4.870 4.296 4.227 4.399 . 0 0 "[ . 1 . 2]" 1
1425 1 59 PHE HB3 1 60 PRO HD2 . . 4.000 3.625 3.566 3.709 . 0 0 "[ . 1 . 2]" 1
1426 1 59 PHE HB3 1 60 PRO HD3 . . 4.180 4.020 3.967 4.096 . 0 0 "[ . 1 . 2]" 1
1427 1 59 PHE QD 1 61 ALA H . . 5.500 3.990 3.930 4.114 . 0 0 "[ . 1 . 2]" 1
1428 1 59 PHE QD 1 61 ALA HA . . 5.060 3.210 3.195 3.244 . 0 0 "[ . 1 . 2]" 1
1429 1 59 PHE QD 1 63 HIS HB2 . . 5.110 3.823 3.682 3.954 . 0 0 "[ . 1 . 2]" 1
1430 1 59 PHE QD 1 64 VAL MG1 . . 5.060 3.089 2.854 3.290 . 0 0 "[ . 1 . 2]" 1
1431 1 59 PHE QD 1 64 VAL MG2 . . 4.870 3.781 3.559 3.919 . 0 0 "[ . 1 . 2]" 1
1432 1 59 PHE QE 1 60 PRO HA . . 5.470 5.176 5.116 5.273 . 0 0 "[ . 1 . 2]" 1
1433 1 59 PHE QE 1 61 ALA HA . . 3.430 2.388 2.358 2.439 . 0 0 "[ . 1 . 2]" 1
1434 1 59 PHE QE 1 61 ALA MB . . 4.690 3.435 3.306 3.550 . 0 0 "[ . 1 . 2]" 1
1435 1 59 PHE QE 1 63 HIS H . . 5.340 4.896 4.797 5.126 . 0 0 "[ . 1 . 2]" 1
1436 1 59 PHE QE 1 64 VAL H . . 5.450 4.320 4.048 4.662 . 0 0 "[ . 1 . 2]" 1
1437 1 59 PHE QE 1 64 VAL HB . . 5.300 4.335 4.114 4.494 . 0 0 "[ . 1 . 2]" 1
1438 1 59 PHE QE 1 64 VAL MG1 . . 3.240 2.585 2.324 2.826 . 0 0 "[ . 1 . 2]" 1
1439 1 59 PHE QE 1 64 VAL MG2 . . 3.180 2.152 1.942 2.308 . 0 0 "[ . 1 . 2]" 1
1440 1 59 PHE HZ 1 61 ALA HA . . 4.690 4.726 4.710 4.738 0.048 11 0 "[ . 1 . 2]" 1
1441 1 59 PHE HZ 1 64 VAL MG1 . . 4.260 3.480 3.137 3.901 . 0 0 "[ . 1 . 2]" 1
1442 1 59 PHE HZ 1 64 VAL MG2 . . 4.120 3.051 2.792 3.317 . 0 0 "[ . 1 . 2]" 1
1443 1 60 PRO HA 1 61 ALA H . . 2.760 2.167 2.161 2.172 . 0 0 "[ . 1 . 2]" 1
1444 1 60 PRO HA 1 61 ALA HA . . 4.550 4.259 4.255 4.263 . 0 0 "[ . 1 . 2]" 1
1445 1 60 PRO HA 1 61 ALA MB . . 3.950 3.906 3.847 3.931 . 0 0 "[ . 1 . 2]" 1
1446 1 60 PRO HA 1 62 SER H . . 4.550 3.471 3.414 3.590 . 0 0 "[ . 1 . 2]" 1
1447 1 60 PRO HB2 1 61 ALA H . . 4.550 3.591 3.562 3.635 . 0 0 "[ . 1 . 2]" 1
1448 1 60 PRO HB2 1 62 SER H . . 4.000 2.609 2.405 2.910 . 0 0 "[ . 1 . 2]" 1
1449 1 60 PRO HB2 1 63 HIS H . . 4.450 3.179 2.926 3.245 . 0 0 "[ . 1 . 2]" 1
1450 1 60 PRO HB2 1 63 HIS HA . . 5.110 5.154 5.136 5.177 0.067 14 0 "[ . 1 . 2]" 1
1451 1 60 PRO HB2 1 63 HIS HD2 . . 3.540 2.486 2.056 2.950 . 0 0 "[ . 1 . 2]" 1
1452 1 60 PRO HB3 1 61 ALA H . . 4.340 3.927 3.905 3.958 . 0 0 "[ . 1 . 2]" 1
1453 1 60 PRO HB3 1 62 SER H . . 4.480 3.829 3.722 4.024 . 0 0 "[ . 1 . 2]" 1
1454 1 60 PRO HB3 1 63 HIS H . . 5.450 4.851 4.621 4.912 . 0 0 "[ . 1 . 2]" 1
1455 1 60 PRO HB3 1 63 HIS HD2 . . 4.120 3.752 3.403 4.062 . 0 0 "[ . 1 . 2]" 1
1456 1 60 PRO HD2 1 63 HIS H . . 5.500 4.805 4.566 4.910 . 0 0 "[ . 1 . 2]" 1
1457 1 60 PRO HD2 1 63 HIS HB2 . . 4.870 3.413 3.187 3.562 . 0 0 "[ . 1 . 2]" 1
1458 1 60 PRO HD2 1 63 HIS HD2 . . 4.120 4.157 4.134 4.181 0.061 15 0 "[ . 1 . 2]" 1
1459 1 60 PRO HG2 1 62 SER H . . 5.500 4.608 4.335 4.959 . 0 0 "[ . 1 . 2]" 1
1460 1 60 PRO HG2 1 63 HIS H . . 5.250 3.860 3.542 3.975 . 0 0 "[ . 1 . 2]" 1
1461 1 60 PRO HG2 1 63 HIS HB2 . . 4.870 2.850 2.605 2.983 . 0 0 "[ . 1 . 2]" 1
1462 1 60 PRO HG2 1 63 HIS HD2 . . 4.000 1.975 1.968 1.982 . 0 0 "[ . 1 . 2]" 1
1463 1 60 PRO HG3 1 61 ALA H . . 5.500 5.696 5.682 5.715 0.215 8 0 "[ . 1 . 2]" 1
1464 1 60 PRO HG3 1 63 HIS HD2 . . 4.870 3.182 3.116 3.218 . 0 0 "[ . 1 . 2]" 1
1465 1 61 ALA H 1 61 ALA MB . . 3.020 2.128 2.010 2.181 . 0 0 "[ . 1 . 2]" 1
1466 1 61 ALA H 1 62 SER H . . 3.740 2.500 2.466 2.546 . 0 0 "[ . 1 . 2]" 1
1467 1 61 ALA H 1 63 HIS H . . 5.450 4.145 4.085 4.215 . 0 0 "[ . 1 . 2]" 1
1468 1 61 ALA HA 1 63 HIS H . . 4.440 3.341 3.276 3.611 . 0 0 "[ . 1 . 2]" 1
1469 1 61 ALA HA 1 64 VAL H . . 4.550 3.046 2.888 3.328 . 0 0 "[ . 1 . 2]" 1
1470 1 61 ALA HA 1 64 VAL MG1 . . 4.440 3.215 2.648 3.405 . 0 0 "[ . 1 . 2]" 1
1471 1 61 ALA HA 1 64 VAL MG2 . . 3.270 1.975 1.956 1.993 . 0 0 "[ . 1 . 2]" 1
1472 1 61 ALA MB 1 62 SER H . . 3.690 3.094 2.888 3.248 . 0 0 "[ . 1 . 2]" 1
1473 1 61 ALA MB 1 62 SER HA . . 4.440 3.907 3.832 3.972 . 0 0 "[ . 1 . 2]" 1
1474 1 61 ALA MB 1 63 HIS H . . 5.250 4.258 4.198 4.444 . 0 0 "[ . 1 . 2]" 1
1475 1 61 ALA MB 1 64 VAL H . . 5.340 4.074 3.972 4.229 . 0 0 "[ . 1 . 2]" 1
1476 1 61 ALA MB 1 64 VAL MG2 . . 4.060 2.838 2.583 2.956 . 0 0 "[ . 1 . 2]" 1
1477 1 62 SER H 1 62 SER HB2 . . 3.840 2.267 2.050 2.527 . 0 0 "[ . 1 . 2]" 1
1478 1 62 SER H 1 62 SER HB3 . . 3.300 3.320 2.573 3.557 0.257 11 0 "[ . 1 . 2]" 1
1479 1 62 SER H 1 63 HIS H . . 3.660 2.590 2.453 2.710 . 0 0 "[ . 1 . 2]" 1
1480 1 62 SER H 1 63 HIS HA . . 5.500 5.088 4.991 5.227 . 0 0 "[ . 1 . 2]" 1
1481 1 62 SER H 1 63 HIS HB2 . . 5.500 4.433 4.244 4.723 . 0 0 "[ . 1 . 2]" 1
1482 1 62 SER H 1 63 HIS HD2 . . 5.060 4.252 4.073 4.548 . 0 0 "[ . 1 . 2]" 1
1483 1 62 SER H 1 64 VAL MG2 . . 5.500 4.639 4.504 4.722 . 0 0 "[ . 1 . 2]" 1
1484 1 62 SER HA 1 62 SER HB2 . . 3.030 2.932 2.537 3.051 0.021 18 0 "[ . 1 . 2]" 1
1485 1 62 SER HA 1 63 HIS H . . 3.590 3.421 3.389 3.506 . 0 0 "[ . 1 . 2]" 1
1486 1 62 SER HA 1 64 VAL H . . 4.440 3.833 3.539 4.082 . 0 0 "[ . 1 . 2]" 1
1487 1 62 SER HB2 1 63 HIS H . . 4.870 3.578 3.230 4.224 . 0 0 "[ . 1 . 2]" 1
1488 1 62 SER HB3 1 63 HIS H . . 4.850 3.899 3.195 4.308 . 0 0 "[ . 1 . 2]" 1
1489 1 62 SER HB3 1 63 HIS HD2 . . 4.500 3.988 3.116 4.526 0.026 18 0 "[ . 1 . 2]" 1
1490 1 63 HIS H 1 63 HIS HB2 . . 3.270 2.220 2.166 2.280 . 0 0 "[ . 1 . 2]" 1
1491 1 63 HIS H 1 63 HIS HD2 . . 3.940 3.361 3.080 3.579 . 0 0 "[ . 1 . 2]" 1
1492 1 63 HIS H 1 64 VAL HA . . 5.500 4.832 4.778 4.943 . 0 0 "[ . 1 . 2]" 1
1493 1 63 HIS H 1 64 VAL MG1 . . 4.340 3.304 3.188 3.527 . 0 0 "[ . 1 . 2]" 1
1494 1 63 HIS H 1 64 VAL MG2 . . 4.680 3.753 3.652 3.964 . 0 0 "[ . 1 . 2]" 1
1495 1 63 HIS HA 1 63 HIS HD2 . . 4.870 3.708 3.653 3.894 . 0 0 "[ . 1 . 2]" 1
1496 1 63 HIS HA 1 64 VAL MG1 . . 4.870 4.191 4.022 4.309 . 0 0 "[ . 1 . 2]" 1
1497 1 63 HIS HB2 1 64 VAL H . . 4.540 3.436 3.243 3.716 . 0 0 "[ . 1 . 2]" 1
1498 1 63 HIS HB2 1 64 VAL MG1 . . 4.120 2.997 2.930 3.270 . 0 0 "[ . 1 . 2]" 1
1499 1 63 HIS HB3 1 64 VAL H . . 4.220 3.926 3.766 4.226 0.006 9 0 "[ . 1 . 2]" 1
1500 1 63 HIS HB3 1 64 VAL MG1 . . 4.260 3.042 2.822 3.217 . 0 0 "[ . 1 . 2]" 1
1501 1 64 VAL H 1 64 VAL MG1 . . 3.760 2.434 2.263 2.752 . 0 0 "[ . 1 . 2]" 1
1502 1 64 VAL H 1 64 VAL MG2 . . 3.290 2.348 2.206 2.496 . 0 0 "[ . 1 . 2]" 1
1503 1 64 VAL H 1 65 LYS H . . 4.960 4.444 4.400 4.479 . 0 0 "[ . 1 . 2]" 1
1504 1 64 VAL HA 1 64 VAL MG1 . . 3.180 2.542 2.462 2.578 . 0 0 "[ . 1 . 2]" 1
1505 1 64 VAL HA 1 65 LYS H . . 2.970 2.595 2.570 2.612 . 0 0 "[ . 1 . 2]" 1
1506 1 64 VAL HA 1 65 LYS QB . . 4.550 3.966 3.839 4.098 . 0 0 "[ . 1 . 2]" 1
1507 1 64 VAL HB 1 65 LYS H . . 3.190 2.419 2.370 2.475 . 0 0 "[ . 1 . 2]" 1
1508 1 64 VAL MG1 1 65 LYS H . . 3.950 3.935 3.900 3.969 0.019 12 0 "[ . 1 . 2]" 1
1509 1 64 VAL MG2 1 65 LYS H . . 4.000 2.707 2.593 2.781 . 0 0 "[ . 1 . 2]" 1
1510 1 64 VAL MG2 1 66 LEU HA . . 5.110 4.179 4.060 4.273 . 0 0 "[ . 1 . 2]" 1
1511 1 65 LYS H 1 65 LYS QB . . 3.440 2.916 2.600 3.071 . 0 0 "[ . 1 . 2]" 1
1512 1 65 LYS H 1 65 LYS QG . . 3.910 2.770 2.356 3.759 . 0 0 "[ . 1 . 2]" 1
1513 1 65 LYS HA 1 65 LYS QG . . 3.830 3.155 2.693 3.322 . 0 0 "[ . 1 . 2]" 1
1514 1 65 LYS HA 1 66 LEU H . . 2.900 2.196 2.181 2.229 . 0 0 "[ . 1 . 2]" 1
1515 1 65 LYS HA 1 66 LEU HB2 . . 5.110 4.244 4.236 4.263 . 0 0 "[ . 1 . 2]" 1
1516 1 65 LYS HA 1 66 LEU HG . . 4.690 4.682 4.606 4.711 0.021 6 0 "[ . 1 . 2]" 1
1517 1 65 LYS QB 1 66 LEU H . . 3.760 3.396 3.101 3.795 0.035 15 0 "[ . 1 . 2]" 1
1518 1 65 LYS QB 1 67 LEU QD . . 4.440 4.047 3.784 4.452 0.012 18 0 "[ . 1 . 2]" 1
1519 1 65 LYS HD2 1 67 LEU QD . . 5.110 4.513 4.211 5.421 0.311 18 0 "[ . 1 . 2]" 1
1520 1 65 LYS QE 1 65 LYS QG . . 3.440 2.051 1.944 2.240 . 0 0 "[ . 1 . 2]" 1
1521 1 65 LYS QE 1 66 LEU H . . 5.500 5.120 4.473 5.464 . 0 0 "[ . 1 . 2]" 1
1522 1 65 LYS QE 1 67 LEU QD . . 4.000 2.622 2.118 3.614 . 0 0 "[ . 1 . 2]" 1
1523 1 65 LYS QG 1 66 LEU H . . 4.090 3.642 2.834 4.026 . 0 0 "[ . 1 . 2]" 1
1524 1 65 LYS QG 1 67 LEU QD . . 3.790 2.445 2.222 3.040 . 0 0 "[ . 1 . 2]" 1
1525 1 66 LEU H 1 66 LEU HB2 . . 3.190 2.083 2.060 2.099 . 0 0 "[ . 1 . 2]" 1
1526 1 66 LEU H 1 66 LEU HB3 . . 3.570 3.397 3.369 3.415 . 0 0 "[ . 1 . 2]" 1
1527 1 66 LEU H 1 66 LEU MD1 . . 4.260 3.890 3.638 4.013 . 0 0 "[ . 1 . 2]" 1
1528 1 66 LEU H 1 66 LEU MD2 . . 3.950 3.780 3.684 3.964 0.014 6 0 "[ . 1 . 2]" 1
1529 1 66 LEU H 1 66 LEU HG . . 3.430 3.009 2.926 3.197 . 0 0 "[ . 1 . 2]" 1
1530 1 66 LEU HA 1 66 LEU MD1 . . 4.060 3.761 3.749 3.793 . 0 0 "[ . 1 . 2]" 1
1531 1 66 LEU HA 1 66 LEU MD2 . . 3.050 1.950 1.908 1.988 . 0 0 "[ . 1 . 2]" 1
1532 1 66 LEU HA 1 66 LEU HG . . 4.120 2.821 2.608 2.887 . 0 0 "[ . 1 . 2]" 1
1533 1 66 LEU HA 1 67 LEU H . . 2.980 2.223 2.212 2.281 . 0 0 "[ . 1 . 2]" 1
1534 1 66 LEU HB2 1 66 LEU MD1 . . 3.170 2.391 2.274 2.448 . 0 0 "[ . 1 . 2]" 1
1535 1 66 LEU HB2 1 67 LEU H . . 4.550 4.412 4.300 4.434 . 0 0 "[ . 1 . 2]" 1
1536 1 66 LEU HB3 1 66 LEU MD1 . . 3.320 2.339 2.238 2.474 . 0 0 "[ . 1 . 2]" 1
1537 1 66 LEU HB3 1 66 LEU MD2 . . 3.540 2.439 2.377 2.463 . 0 0 "[ . 1 . 2]" 1
1538 1 66 LEU HB3 1 67 LEU H . . 3.350 3.337 3.127 3.381 0.031 18 0 "[ . 1 . 2]" 1
1539 1 66 LEU HB3 1 68 GLY H . . 4.060 2.259 2.219 2.309 . 0 0 "[ . 1 . 2]" 1
1540 1 66 LEU HB3 1 68 GLY QA . . 4.870 3.593 3.318 4.162 . 0 0 "[ . 1 . 2]" 1
1541 1 66 LEU MD1 1 67 LEU H . . 4.690 4.692 4.642 4.738 0.048 6 0 "[ . 1 . 2]" 1
1542 1 66 LEU MD1 1 68 GLY H . . 5.500 3.921 3.861 4.073 . 0 0 "[ . 1 . 2]" 1
1543 1 66 LEU MD2 1 67 LEU H . . 3.690 2.622 2.418 2.722 . 0 0 "[ . 1 . 2]" 1
1544 1 66 LEU HG 1 67 LEU H . . 4.960 4.767 4.494 4.857 . 0 0 "[ . 1 . 2]" 1
1545 1 66 LEU HG 1 68 GLY H . . 5.500 5.066 4.984 5.124 . 0 0 "[ . 1 . 2]" 1
1546 1 67 LEU H 1 67 LEU HB2 . . 3.950 2.341 2.271 2.522 . 0 0 "[ . 1 . 2]" 1
1547 1 67 LEU H 1 67 LEU HB3 . . 3.460 3.565 3.528 3.607 0.147 18 0 "[ . 1 . 2]" 1
1548 1 67 LEU H 1 67 LEU QD . . 4.040 3.102 1.797 3.269 . 0 0 "[ . 1 . 2]" 1
1549 1 67 LEU H 1 67 LEU HG . . 3.640 2.925 2.729 3.385 . 0 0 "[ . 1 . 2]" 1
1550 1 67 LEU H 1 68 GLY H . . 3.920 2.591 2.463 2.654 . 0 0 "[ . 1 . 2]" 1
1551 1 67 LEU HA 1 67 LEU QD . . 2.960 1.937 1.852 2.971 0.011 18 0 "[ . 1 . 2]" 1
1552 1 67 LEU HA 1 67 LEU HG . . 4.000 3.223 2.590 3.318 . 0 0 "[ . 1 . 2]" 1
1553 1 67 LEU HA 1 68 GLY H . . 3.270 3.150 3.125 3.192 . 0 0 "[ . 1 . 2]" 1
1554 1 67 LEU HA 1 68 GLY QA . . 4.260 4.162 4.088 4.287 0.027 2 0 "[ . 1 . 2]" 1
1555 1 67 LEU HB2 1 67 LEU QD . . 3.140 2.421 2.107 2.504 . 0 0 "[ . 1 . 2]" 1
1556 1 67 LEU HB2 1 68 GLY H . . 3.990 3.961 3.887 3.994 0.004 5 0 "[ . 1 . 2]" 1
1557 1 67 LEU HB3 1 67 LEU QD . . 3.130 2.062 1.987 2.195 . 0 0 "[ . 1 . 2]" 1
1558 1 67 LEU QD 1 68 GLY H . . 4.350 4.187 3.845 4.234 . 0 0 "[ . 1 . 2]" 1
1559 1 68 GLY H 1 69 PRO QD . . 4.340 3.739 2.030 4.310 . 0 0 "[ . 1 . 2]" 1
1560 1 68 GLY QA 1 69 PRO QD . . 2.540 1.998 1.846 2.222 . 0 0 "[ . 1 . 2]" 1
1561 1 68 GLY QA 1 69 PRO QG . . 4.120 3.799 3.705 4.051 . 0 0 "[ . 1 . 2]" 1
1562 1 69 PRO HB3 1 70 SER H . . 4.690 4.082 3.304 4.711 0.021 18 0 "[ . 1 . 2]" 1
1563 1 70 SER H 1 71 SER HA . . 4.690 4.360 3.961 4.704 0.014 17 0 "[ . 1 . 2]" 1
1564 1 70 SER H 1 71 SER QB . . 4.340 3.985 3.435 4.342 0.002 8 0 "[ . 1 . 2]" 1
1565 1 71 SER HA 1 72 GLU H . . 3.570 2.546 2.217 3.644 0.074 9 0 "[ . 1 . 2]" 1
1566 1 71 SER QB 1 72 GLU H . . 4.060 3.158 1.940 3.975 . 0 0 "[ . 1 . 2]" 1
1567 1 71 SER QB 1 73 ARG H . . 5.500 4.822 3.547 5.503 0.003 4 0 "[ . 1 . 2]" 1
1568 1 72 GLU H 1 72 GLU HB3 . . 3.920 3.222 2.470 4.094 0.174 15 0 "[ . 1 . 2]" 1
1569 1 72 GLU H 1 72 GLU HG3 . . 4.680 3.763 2.004 4.672 . 0 0 "[ . 1 . 2]" 1
1570 1 72 GLU HA 1 72 GLU HG3 . . 4.180 2.948 2.028 4.123 . 0 0 "[ . 1 . 2]" 1
1571 1 72 GLU HA 1 73 ARG H . . 3.430 2.413 2.202 3.596 0.166 18 0 "[ . 1 . 2]" 1
1572 1 72 GLU HA 1 73 ARG QG . . 3.950 3.817 3.490 3.960 0.010 18 0 "[ . 1 . 2]" 1
1573 1 72 GLU HB2 1 72 GLU HG2 . . 2.980 2.930 2.706 3.056 0.076 18 0 "[ . 1 . 2]" 1
1574 1 72 GLU HB2 1 73 ARG H . . 4.850 4.210 3.020 4.746 . 0 0 "[ . 1 . 2]" 1
1575 1 72 GLU HG2 1 73 ARG H . . 5.450 4.537 3.343 5.555 0.105 7 0 "[ . 1 . 2]" 1
1576 1 73 ARG H 1 73 ARG HB3 . . 3.990 3.445 2.436 4.094 0.104 1 0 "[ . 1 . 2]" 1
1577 1 73 ARG H 1 73 ARG QG . . 4.350 2.533 1.943 3.227 . 0 0 "[ . 1 . 2]" 1
1578 1 73 ARG HA 1 73 ARG QD . . 4.440 3.770 2.096 4.289 . 0 0 "[ . 1 . 2]" 1
1579 1 73 ARG HA 1 74 ALA H . . 3.510 2.506 2.226 3.619 0.109 18 0 "[ . 1 . 2]" 1
1580 1 73 ARG HB2 1 73 ARG QD . . 3.520 2.574 2.113 3.318 . 0 0 "[ . 1 . 2]" 1
1581 1 73 ARG HB2 1 73 ARG QG . . 2.660 2.375 2.180 2.571 . 0 0 "[ . 1 . 2]" 1
1582 1 73 ARG HB2 1 74 ALA H . . 5.090 3.573 2.357 4.616 . 0 0 "[ . 1 . 2]" 1
1583 1 73 ARG HB3 1 73 ARG QD . . 3.410 2.523 2.080 3.322 . 0 0 "[ . 1 . 2]" 1
1584 1 73 ARG HB3 1 74 ALA H . . 5.340 3.695 2.363 4.730 . 0 0 "[ . 1 . 2]" 1
1585 1 74 ALA MB 1 75 SER H . . 4.910 3.155 2.153 3.717 . 0 0 "[ . 1 . 2]" 1
1586 1 75 SER QB 1 76 GLY H . . 5.450 2.981 2.048 4.002 . 0 0 "[ . 1 . 2]" 1
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