NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403373 |
1wjn   |
10091 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjn
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 1550
_Distance_constraint_stats_list.Viol_count 2879
_Distance_constraint_stats_list.Viol_total 14088.218
_Distance_constraint_stats_list.Viol_max 2.475
_Distance_constraint_stats_list.Viol_rms 0.1048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0227
_Distance_constraint_stats_list.Viol_average_violations_only 0.2447
_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 1.671 0.292 12 0 "[ . 1 . 2]"
1 8 GLN 8.228 0.512 9 1 "[ . +1 . 2]"
1 9 LEU 7.875 0.363 1 0 "[ . 1 . 2]"
1 10 LEU 26.679 0.654 12 8 "[*** . * -1*+ . * 2]"
1 11 THR 44.176 0.929 1 20 [+************-******]
1 12 LEU 9.428 0.654 12 4 "[ * . * 1 + . - 2]"
1 13 LYS 15.801 0.656 13 7 "[ * . * 1-*+ .* * 2]"
1 14 ILE 21.200 0.655 16 2 "[ . 1 .+ - 2]"
1 15 LYS 33.531 0.911 8 16 "[**-** *+***** .* ***]"
1 16 CYS 37.564 2.178 9 17 "[******* +*** **** **]"
1 17 SER 0.709 0.328 6 0 "[ . 1 . 2]"
1 18 ASN 0.599 0.217 18 0 "[ . 1 . 2]"
1 19 GLN 9.900 0.630 7 6 "[* .*+ -* *. 2]"
1 20 PRO 0.859 0.259 18 0 "[ . 1 . 2]"
1 21 GLU 0.617 0.145 11 0 "[ . 1 . 2]"
1 22 ARG 5.989 0.480 18 0 "[ . 1 . 2]"
1 23 GLN 4.060 0.884 18 3 "[ - . * 1 . + 2]"
1 24 ILE 59.120 2.178 9 20 [********+***-*******]
1 25 LEU 11.499 0.793 14 8 "[* * * 1 -+.** *2]"
1 26 GLU 2.812 0.510 4 1 "[ +. 1 . 2]"
1 27 LYS 36.521 0.929 1 20 [+**-****************]
1 28 GLN 34.197 0.696 5 6 "[*-* + ** . 2]"
1 29 LEU 18.938 0.490 11 0 "[ . 1 . 2]"
1 30 PRO 3.483 0.448 20 0 "[ . 1 . 2]"
1 31 ASP 19.039 0.788 17 7 "[ . * - * .*+* *]"
1 32 SER 3.071 0.448 20 0 "[ . 1 . 2]"
1 33 MET 34.366 0.884 4 17 "[***+*** *****-**** 2]"
1 34 THR 35.788 1.337 20 12 "[ **** ** ** *- *+]"
1 35 VAL 20.282 1.250 18 4 "[ * . 1- * . + 2]"
1 36 GLN 21.512 0.807 18 7 "[ ** * 1- * . *+ 2]"
1 37 LYS 44.476 1.337 20 20 [**************-****+]
1 38 VAL 6.358 0.267 20 0 "[ . 1 . 2]"
1 39 LYS 22.043 1.250 18 6 "[ * * - 1 . *+ *]"
1 40 GLY 0.352 0.317 20 0 "[ . 1 . 2]"
1 41 LEU 7.662 0.332 18 0 "[ . 1 . 2]"
1 42 LEU 30.634 0.766 3 10 "[**+*.* * 1- .* **]"
1 43 SER 13.466 0.721 20 16 "[* **** *********-+]"
1 44 ARG 13.260 0.651 15 6 "[ . * * -+ * *]"
1 45 LEU 25.988 0.777 1 11 "[+** . * ** -** * *]"
1 46 LEU 18.977 0.699 4 8 "[** +.* * 1- .* *2]"
1 47 LYS 4.863 0.398 10 0 "[ . 1 . 2]"
1 48 VAL 0.443 0.108 4 0 "[ . 1 . 2]"
1 49 PRO 16.213 0.771 20 2 "[ . 1 . - +]"
1 50 VAL 26.293 0.736 17 17 "[* **** ********+*-*]"
1 51 SER 12.680 0.968 13 12 "[* .****1**+ - ** *]"
1 52 GLU 16.099 0.968 13 10 "[* .* **1**+ . -* *]"
1 53 LEU 1.776 0.240 20 0 "[ . 1 . 2]"
1 54 LEU 16.196 0.931 3 6 "[ *+ .- * * . * 2]"
1 55 LEU 37.484 1.299 10 18 "[***** *-*+***** ****]"
1 56 SER 14.201 1.299 10 12 "[***** * + * ** *- 2]"
1 57 TYR 69.445 1.152 5 20 [****+***********-***]
1 58 GLU 2.922 0.322 3 0 "[ . 1 . 2]"
1 59 SER 4.491 0.441 18 0 "[ . 1 . 2]"
1 60 SER 13.764 2.475 18 10 "[ -* * ** * * *+*2]"
1 61 LYS 17.313 2.475 18 10 "[ -* * ** * * *+*2]"
1 62 MET 9.645 0.724 20 5 "[- * . * * . +]"
1 63 PRO 1.886 0.179 1 0 "[ . 1 . 2]"
1 64 GLY 0.119 0.046 6 0 "[ . 1 . 2]"
1 65 ARG 7.977 0.724 20 5 "[- * . * * . +]"
1 66 GLU 11.725 0.502 16 1 "[ . 1 .+ 2]"
1 67 ILE 12.729 0.448 10 0 "[ . 1 . 2]"
1 68 GLU 7.013 0.324 5 0 "[ . 1 . 2]"
1 69 LEU 38.025 1.374 5 20 [-***+***************]
1 70 GLU 15.022 1.374 5 16 "[** *+*********. * *-]"
1 71 ASN 1.247 0.345 13 0 "[ . 1 . 2]"
1 72 ASP 5.116 0.719 2 2 "[ + . 1- . 2]"
1 73 LEU 7.057 0.443 12 0 "[ . 1 . 2]"
1 74 GLN 6.528 0.529 15 1 "[ . 1 + 2]"
1 75 PRO 22.920 1.171 10 10 "[ * * *+** -* **2]"
1 76 LEU 36.224 0.788 17 6 "[* . - .*+* *]"
1 77 GLN 26.712 1.171 10 13 "[ * ***+***-* ***]"
1 78 PHE 4.971 0.529 15 1 "[ . 1 + 2]"
1 79 TYR 10.751 0.473 1 0 "[ . 1 . 2]"
1 80 SER 0.108 0.039 4 0 "[ . 1 . 2]"
1 81 VAL 3.859 0.319 19 0 "[ . 1 . 2]"
1 82 GLU 10.295 0.520 20 6 "[* . - *1 * *+]"
1 83 ASN 3.444 0.705 20 1 "[ . 1 . +]"
1 84 GLY 0.706 0.157 14 0 "[ . 1 . 2]"
1 85 ASP 3.144 0.609 1 1 "[+ . 1 . 2]"
1 86 CYS 10.445 0.627 7 4 "[ * . + 1- .* 2]"
1 87 LEU 28.439 1.023 17 20 [****************+***]
1 88 LEU 16.242 0.564 19 4 "[ . 1 -* +*]"
1 89 VAL 8.108 0.341 5 0 "[ . 1 . 2]"
1 90 ARG 19.320 0.931 3 12 "[**+ .*-*** ** .** 2]"
1 91 TRP 19.452 0.584 9 9 "[*** * - +1 ** .* 2]"
1 92 SER 6.027 0.576 5 2 "[ - + 1 . 2]"
1 93 GLY 7.338 0.265 7 0 "[ . 1 . 2]"
1 94 PRO 7.338 0.265 7 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 HA2 1 8 GLN H . . 3.490 2.219 2.138 2.321 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY HA2 1 8 GLN QG . . 5.410 4.039 3.778 4.527 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 32 SER H . . 4.700 4.280 3.259 4.726 0.026 20 0 "[ . 1 . 2]" 1
4 1 7 GLY HA3 1 8 GLN H . . 3.200 3.093 2.840 3.492 0.292 12 0 "[ . 1 . 2]" 1
5 1 7 GLY HA3 1 8 GLN QG . . 5.210 5.031 4.464 5.430 0.220 7 0 "[ . 1 . 2]" 1
6 1 7 GLY HA3 1 32 SER H . . 4.700 3.786 2.860 4.755 0.055 9 0 "[ . 1 . 2]" 1
7 1 8 GLN H 1 8 GLN HB2 . . 3.960 3.766 3.619 3.941 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLN H 1 8 GLN HB3 . . 3.580 2.968 2.569 3.387 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLN H 1 8 GLN HE21 . . 5.120 4.188 3.216 5.200 0.080 13 0 "[ . 1 . 2]" 1
10 1 8 GLN H 1 8 GLN QG . . 3.910 2.274 1.925 2.841 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLN H 1 10 LEU QD . . 4.880 3.817 3.231 4.011 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLN H 1 31 ASP H . . 4.280 3.667 2.925 4.067 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLN H 1 31 ASP QB . . 5.180 4.033 3.233 4.616 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLN HA 1 8 GLN QG . . 3.880 3.351 3.328 3.448 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLN HA 1 9 LEU H . . 2.860 2.291 2.190 2.410 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLN HB2 1 9 LEU H . . 3.890 2.754 2.439 3.081 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLN HB2 1 10 LEU QD . . 4.130 3.845 3.616 4.011 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLN HB3 1 9 LEU H . . 4.650 3.976 3.773 4.171 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLN HB3 1 10 LEU QD . . 4.170 4.498 4.336 4.682 0.512 9 1 "[ . +1 . 2]" 1
20 1 8 GLN HE22 1 10 LEU QD . . 5.040 4.216 3.135 4.968 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLN QG 1 9 LEU H . . 4.500 3.696 3.360 4.029 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLN QG 1 10 LEU QD . . 3.670 2.122 1.955 2.280 . 0 0 "[ . 1 . 2]" 1
23 1 9 LEU H 1 9 LEU HB2 . . 3.400 2.178 2.152 2.204 . 0 0 "[ . 1 . 2]" 1
24 1 9 LEU H 1 9 LEU HB3 . . 3.700 3.480 3.456 3.490 . 0 0 "[ . 1 . 2]" 1
25 1 9 LEU H 1 9 LEU QD . . 4.100 2.535 2.083 2.714 . 0 0 "[ . 1 . 2]" 1
26 1 9 LEU H 1 9 LEU HG . . 3.830 3.885 3.745 4.157 0.327 15 0 "[ . 1 . 2]" 1
27 1 9 LEU H 1 10 LEU H . . 5.030 4.561 4.526 4.613 . 0 0 "[ . 1 . 2]" 1
28 1 9 LEU HA 1 9 LEU QD . . 3.220 2.728 1.877 2.946 . 0 0 "[ . 1 . 2]" 1
29 1 9 LEU HA 1 9 LEU HG . . 4.240 2.513 2.229 3.656 . 0 0 "[ . 1 . 2]" 1
30 1 9 LEU HA 1 10 LEU H . . 3.020 2.184 2.157 2.232 . 0 0 "[ . 1 . 2]" 1
31 1 9 LEU HA 1 30 PRO HA . . 3.320 2.110 1.992 2.572 . 0 0 "[ . 1 . 2]" 1
32 1 9 LEU HA 1 31 ASP H . . 5.020 3.291 2.871 4.082 . 0 0 "[ . 1 . 2]" 1
33 1 9 LEU HB2 1 9 LEU QD . . 3.170 1.980 1.929 2.166 . 0 0 "[ . 1 . 2]" 1
34 1 9 LEU HB2 1 10 LEU H . . 4.620 4.292 4.191 4.377 . 0 0 "[ . 1 . 2]" 1
35 1 9 LEU HB2 1 28 GLN HB3 . . 4.180 3.782 3.409 4.092 . 0 0 "[ . 1 . 2]" 1
36 1 9 LEU HB3 1 9 LEU QD . . 3.230 2.163 2.083 2.371 . 0 0 "[ . 1 . 2]" 1
37 1 9 LEU HB3 1 9 LEU HG . . 2.980 2.616 2.334 2.683 . 0 0 "[ . 1 . 2]" 1
38 1 9 LEU HB3 1 10 LEU H . . 4.310 3.182 2.991 3.341 . 0 0 "[ . 1 . 2]" 1
39 1 9 LEU HB3 1 28 GLN HB2 . . 4.500 3.956 3.538 4.441 . 0 0 "[ . 1 . 2]" 1
40 1 9 LEU HB3 1 28 GLN HB3 . . 3.910 2.295 1.998 2.688 . 0 0 "[ . 1 . 2]" 1
41 1 9 LEU HB3 1 28 GLN HG2 . . 4.580 3.843 3.046 4.402 . 0 0 "[ . 1 . 2]" 1
42 1 9 LEU HB3 1 28 GLN HG3 . . 4.890 4.900 4.067 5.253 0.363 1 0 "[ . 1 . 2]" 1
43 1 9 LEU QD 1 10 LEU H . . 4.020 3.649 2.489 3.981 . 0 0 "[ . 1 . 2]" 1
44 1 9 LEU QD 1 28 GLN H . . 4.930 4.118 3.835 4.375 . 0 0 "[ . 1 . 2]" 1
45 1 9 LEU QD 1 28 GLN HA . . 4.680 3.543 3.359 3.659 . 0 0 "[ . 1 . 2]" 1
46 1 9 LEU QD 1 28 GLN HB2 . . 3.540 2.867 2.290 3.603 0.063 15 0 "[ . 1 . 2]" 1
47 1 9 LEU QD 1 28 GLN HB3 . . 3.430 2.112 1.887 2.508 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU QD 1 28 GLN HE21 . . 4.900 4.284 3.421 4.771 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU QD 1 28 GLN HE22 . . 4.700 4.440 3.959 4.703 0.003 2 0 "[ . 1 . 2]" 1
50 1 9 LEU QD 1 28 GLN HG2 . . 4.070 4.072 3.943 4.246 0.176 2 0 "[ . 1 . 2]" 1
51 1 9 LEU QD 1 28 GLN HG3 . . 4.660 4.436 4.169 4.751 0.091 15 0 "[ . 1 . 2]" 1
52 1 9 LEU QD 1 29 LEU H . . 4.330 3.212 2.494 3.681 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU QD 1 29 LEU HA . . 4.270 2.542 1.971 3.085 . 0 0 "[ . 1 . 2]" 1
54 1 9 LEU QD 1 30 PRO HB2 . . 4.400 3.999 3.841 4.049 . 0 0 "[ . 1 . 2]" 1
55 1 9 LEU QD 1 30 PRO HB3 . . 3.730 2.561 2.444 2.740 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU QD 1 30 PRO QD . . 3.890 2.515 1.781 2.830 . 0 0 "[ . 1 . 2]" 1
57 1 9 LEU QD 1 30 PRO QG . . 3.380 3.444 3.088 3.582 0.202 4 0 "[ . 1 . 2]" 1
58 1 9 LEU HG 1 10 LEU H . . 5.500 4.001 3.706 4.830 . 0 0 "[ . 1 . 2]" 1
59 1 10 LEU H 1 10 LEU HB2 . . 3.590 2.877 2.805 2.929 . 0 0 "[ . 1 . 2]" 1
60 1 10 LEU H 1 10 LEU HB3 . . 4.150 3.715 3.671 3.777 . 0 0 "[ . 1 . 2]" 1
61 1 10 LEU H 1 10 LEU QD . . 3.600 2.754 2.477 2.979 . 0 0 "[ . 1 . 2]" 1
62 1 10 LEU H 1 10 LEU HG . . 3.620 2.270 2.184 2.404 . 0 0 "[ . 1 . 2]" 1
63 1 10 LEU H 1 11 THR HA . . 4.950 5.042 4.888 5.145 0.195 1 0 "[ . 1 . 2]" 1
64 1 10 LEU H 1 29 LEU H . . 4.010 2.870 2.451 3.085 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU HA 1 10 LEU QD . . 2.880 2.238 2.092 2.453 . 0 0 "[ . 1 . 2]" 1
66 1 10 LEU HA 1 11 THR H . . 3.220 2.210 2.138 2.297 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU HA 1 11 THR HB . . 4.520 4.738 4.548 4.820 0.300 19 0 "[ . 1 . 2]" 1
68 1 10 LEU HA 1 12 LEU MD2 . . 4.470 4.817 4.343 5.124 0.654 12 4 "[ * . * 1 + . - 2]" 1
69 1 10 LEU HA 1 28 GLN HG2 . . 4.700 4.846 4.325 5.294 0.594 1 3 "[+- . 1* . 2]" 1
70 1 10 LEU HA 1 83 ASN HA . . 4.100 3.441 3.032 3.756 . 0 0 "[ . 1 . 2]" 1
71 1 10 LEU HA 1 83 ASN QB . . 4.020 2.453 2.000 2.919 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU HB2 1 10 LEU QD . . 3.080 2.292 2.208 2.388 . 0 0 "[ . 1 . 2]" 1
73 1 10 LEU HB2 1 11 THR H . . 4.510 3.708 3.430 4.153 . 0 0 "[ . 1 . 2]" 1
74 1 10 LEU HB2 1 12 LEU H . . 5.130 4.574 4.263 4.879 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU HB2 1 12 LEU MD1 . . 3.630 2.752 2.405 2.964 . 0 0 "[ . 1 . 2]" 1
76 1 10 LEU HB2 1 12 LEU MD2 . . 3.760 3.376 3.074 3.634 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU HB2 1 12 LEU HG . . 3.890 2.752 2.546 2.905 . 0 0 "[ . 1 . 2]" 1
78 1 10 LEU HB2 1 29 LEU H . . 4.640 4.027 3.515 4.193 . 0 0 "[ . 1 . 2]" 1
79 1 10 LEU HB2 1 83 ASN HA . . 4.440 3.637 3.232 3.922 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU HB3 1 10 LEU QD . . 3.230 2.095 2.034 2.164 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU HB3 1 11 THR H . . 4.070 3.141 2.832 3.620 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU HB3 1 12 LEU HG . . 3.900 3.561 3.264 3.874 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU HB3 1 83 ASN HA . . 4.210 2.417 2.002 2.737 . 0 0 "[ . 1 . 2]" 1
84 1 10 LEU QD 1 11 THR H . . 3.870 3.896 3.769 4.086 0.216 19 0 "[ . 1 . 2]" 1
85 1 10 LEU QD 1 31 ASP H . . 4.930 2.653 2.559 2.769 . 0 0 "[ . 1 . 2]" 1
86 1 10 LEU QD 1 31 ASP HA . . 3.520 2.570 2.114 2.863 . 0 0 "[ . 1 . 2]" 1
87 1 10 LEU QD 1 31 ASP QB . . 3.340 1.934 1.702 2.056 . 0 0 "[ . 1 . 2]" 1
88 1 10 LEU QD 1 81 VAL HB . . 3.690 3.330 3.036 3.551 . 0 0 "[ . 1 . 2]" 1
89 1 10 LEU QD 1 81 VAL MG2 . . 4.400 4.230 4.028 4.368 . 0 0 "[ . 1 . 2]" 1
90 1 10 LEU QD 1 82 GLU HA . . 3.890 2.381 1.963 2.908 . 0 0 "[ . 1 . 2]" 1
91 1 10 LEU QD 1 83 ASN H . . 3.330 2.870 2.374 3.475 0.145 9 0 "[ . 1 . 2]" 1
92 1 10 LEU QD 1 83 ASN HA . . 3.530 3.539 3.250 3.872 0.342 12 0 "[ . 1 . 2]" 1
93 1 10 LEU QD 1 83 ASN QB . . 3.410 3.104 2.739 3.444 0.034 12 0 "[ . 1 . 2]" 1
94 1 10 LEU QD 1 83 ASN HD21 . . 5.160 4.167 2.607 5.354 0.194 10 0 "[ . 1 . 2]" 1
95 1 10 LEU HG 1 31 ASP QB . . 3.960 2.997 2.612 3.459 . 0 0 "[ . 1 . 2]" 1
96 1 11 THR H 1 11 THR HB . . 3.250 2.613 2.456 2.702 . 0 0 "[ . 1 . 2]" 1
97 1 11 THR H 1 11 THR MG . . 3.960 3.814 3.764 3.861 . 0 0 "[ . 1 . 2]" 1
98 1 11 THR H 1 83 ASN HA . . 3.770 2.690 2.312 3.114 . 0 0 "[ . 1 . 2]" 1
99 1 11 THR H 1 83 ASN QB . . 4.550 2.210 1.860 2.537 . 0 0 "[ . 1 . 2]" 1
100 1 11 THR HA 1 11 THR MG . . 3.090 2.257 2.182 2.439 . 0 0 "[ . 1 . 2]" 1
101 1 11 THR HA 1 12 LEU H . . 3.060 2.182 2.146 2.228 . 0 0 "[ . 1 . 2]" 1
102 1 11 THR HA 1 12 LEU MD2 . . 4.810 4.711 4.344 4.859 0.049 12 0 "[ . 1 . 2]" 1
103 1 11 THR HA 1 28 GLN HA . . 3.470 3.010 2.868 3.128 . 0 0 "[ . 1 . 2]" 1
104 1 11 THR HA 1 28 GLN HG2 . . 4.280 2.282 1.991 2.708 . 0 0 "[ . 1 . 2]" 1
105 1 11 THR HA 1 28 GLN HG3 . . 4.220 3.407 2.959 3.895 . 0 0 "[ . 1 . 2]" 1
106 1 11 THR HA 1 29 LEU H . . 4.350 4.486 4.369 4.659 0.309 8 0 "[ . 1 . 2]" 1
107 1 11 THR HB 1 12 LEU H . . 4.780 4.368 4.263 4.499 . 0 0 "[ . 1 . 2]" 1
108 1 11 THR HB 1 12 LEU MD2 . . 5.120 4.826 4.483 5.018 . 0 0 "[ . 1 . 2]" 1
109 1 11 THR HB 1 83 ASN HA . . 4.280 4.143 3.682 4.486 0.206 5 0 "[ . 1 . 2]" 1
110 1 11 THR HB 1 83 ASN QB . . 4.470 3.154 2.545 3.933 . 0 0 "[ . 1 . 2]" 1
111 1 11 THR HB 1 84 GLY H . . 4.270 3.509 3.228 3.864 . 0 0 "[ . 1 . 2]" 1
112 1 11 THR MG 1 12 LEU H . . 3.480 3.126 2.867 3.279 . 0 0 "[ . 1 . 2]" 1
113 1 11 THR MG 1 12 LEU HA . . 4.420 3.888 3.573 4.088 . 0 0 "[ . 1 . 2]" 1
114 1 11 THR MG 1 13 LYS QE . . 4.740 4.801 4.101 5.083 0.343 8 0 "[ . 1 . 2]" 1
115 1 11 THR MG 1 13 LYS QG . . 4.200 4.133 3.986 4.399 0.199 12 0 "[ . 1 . 2]" 1
116 1 11 THR MG 1 26 GLU HA . . 4.580 4.613 4.454 4.800 0.220 7 0 "[ . 1 . 2]" 1
117 1 11 THR MG 1 26 GLU QB . . 4.090 4.002 3.761 4.123 0.033 15 0 "[ . 1 . 2]" 1
118 1 11 THR MG 1 26 GLU QG . . 3.480 2.434 2.185 3.286 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR MG 1 27 LYS H . . 4.390 4.472 3.892 4.712 0.322 12 0 "[ . 1 . 2]" 1
120 1 11 THR MG 1 27 LYS HA . . 4.570 5.340 5.205 5.499 0.929 1 20 [+************-******] 1
121 1 11 THR MG 1 28 GLN H . . 5.110 5.417 5.238 5.509 0.399 19 0 "[ . 1 . 2]" 1
122 1 11 THR MG 1 28 GLN HA . . 4.190 4.405 4.299 4.497 0.307 8 0 "[ . 1 . 2]" 1
123 1 11 THR MG 1 28 GLN HE21 . . 4.400 3.970 3.085 4.429 0.029 12 0 "[ . 1 . 2]" 1
124 1 11 THR MG 1 28 GLN HE22 . . 4.910 4.613 3.953 4.962 0.052 18 0 "[ . 1 . 2]" 1
125 1 11 THR MG 1 28 GLN HG2 . . 3.800 3.163 2.939 3.349 . 0 0 "[ . 1 . 2]" 1
126 1 11 THR MG 1 28 GLN HG3 . . 4.360 3.310 2.947 3.637 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR MG 1 84 GLY H . . 4.350 4.292 4.066 4.391 0.041 16 0 "[ . 1 . 2]" 1
128 1 11 THR MG 1 84 GLY HA2 . . 4.730 4.625 4.137 4.887 0.157 14 0 "[ . 1 . 2]" 1
129 1 12 LEU H 1 12 LEU HB2 . . 3.860 2.784 2.697 2.868 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU H 1 12 LEU HB3 . . 4.180 3.808 3.753 3.854 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU H 1 12 LEU MD1 . . 4.040 3.708 3.558 3.908 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU H 1 12 LEU MD2 . . 4.190 3.822 3.630 3.997 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU H 1 12 LEU HG . . 4.370 2.652 2.458 2.836 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU H 1 13 LYS H . . 5.030 4.465 4.442 4.514 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU H 1 27 LYS H . . 4.150 3.784 3.301 3.975 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU H 1 28 GLN HA . . 4.200 3.579 3.257 3.836 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU H 1 28 GLN HG2 . . 5.010 4.077 3.723 4.570 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU HA 1 12 LEU MD1 . . 4.010 3.983 3.945 4.016 0.006 6 0 "[ . 1 . 2]" 1
139 1 12 LEU HA 1 12 LEU MD2 . . 2.960 2.485 2.184 2.604 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU HA 1 13 LYS H . . 3.100 2.435 2.287 2.572 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU HA 1 83 ASN HA . . 5.040 4.788 4.536 5.056 0.016 3 0 "[ . 1 . 2]" 1
142 1 12 LEU HA 1 84 GLY H . . 4.570 3.459 3.234 3.840 . 0 0 "[ . 1 . 2]" 1
143 1 12 LEU HA 1 86 CYS HA . . 4.990 3.982 3.577 4.232 . 0 0 "[ . 1 . 2]" 1
144 1 12 LEU HB2 1 12 LEU MD1 . . 3.260 2.178 2.019 2.305 . 0 0 "[ . 1 . 2]" 1
145 1 12 LEU HB2 1 13 LYS H . . 3.810 3.333 3.070 3.700 . 0 0 "[ . 1 . 2]" 1
146 1 12 LEU HB3 1 12 LEU MD2 . . 3.310 2.141 2.062 2.301 . 0 0 "[ . 1 . 2]" 1
147 1 12 LEU HB3 1 13 LYS H . . 3.890 2.436 2.150 2.731 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU HB3 1 87 LEU HG . . 4.210 2.216 2.014 2.409 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU MD1 1 13 LYS H . . 4.900 4.541 4.281 4.777 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU MD1 1 81 VAL MG2 . . 4.590 4.098 3.833 4.636 0.046 18 0 "[ . 1 . 2]" 1
151 1 12 LEU MD1 1 87 LEU HG . . 3.540 2.102 1.978 2.337 . 0 0 "[ . 1 . 2]" 1
152 1 12 LEU MD2 1 13 LYS H . . 3.780 3.698 3.580 3.812 0.032 19 0 "[ . 1 . 2]" 1
153 1 12 LEU MD2 1 81 VAL MG2 . . 4.350 4.420 4.037 4.669 0.319 19 0 "[ . 1 . 2]" 1
154 1 12 LEU MD2 1 83 ASN HA . . 3.820 2.573 2.200 2.975 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU MD2 1 83 ASN QB . . 4.540 4.112 3.749 4.413 . 0 0 "[ . 1 . 2]" 1
156 1 12 LEU MD2 1 84 GLY H . . 3.730 2.434 2.037 3.080 . 0 0 "[ . 1 . 2]" 1
157 1 12 LEU MD2 1 84 GLY HA2 . . 4.760 4.081 3.700 4.754 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU MD2 1 85 ASP H . . 3.370 2.541 1.973 3.025 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU MD2 1 85 ASP HA . . 4.400 3.746 3.395 4.112 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU MD2 1 85 ASP QB . . 3.390 2.073 1.797 3.256 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU MD2 1 86 CYS H . . 4.720 3.839 3.510 4.367 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU MD2 1 86 CYS HA . . 4.840 3.692 3.386 4.018 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU HG 1 83 ASN HA . . 5.120 3.634 3.244 3.937 . 0 0 "[ . 1 . 2]" 1
164 1 13 LYS H 1 13 LYS QB . . 3.440 2.448 2.250 2.771 . 0 0 "[ . 1 . 2]" 1
165 1 13 LYS H 1 13 LYS QE . . 5.500 4.993 3.464 5.496 . 0 0 "[ . 1 . 2]" 1
166 1 13 LYS H 1 13 LYS QG . . 4.260 3.005 2.430 3.378 . 0 0 "[ . 1 . 2]" 1
167 1 13 LYS H 1 14 ILE MD . . 5.180 4.343 3.973 4.597 . 0 0 "[ . 1 . 2]" 1
168 1 13 LYS H 1 86 CYS HA . . 3.710 2.477 2.191 2.603 . 0 0 "[ . 1 . 2]" 1
169 1 13 LYS H 1 86 CYS QB . . 5.020 4.350 4.060 4.528 . 0 0 "[ . 1 . 2]" 1
170 1 13 LYS H 1 87 LEU H . . 4.570 2.949 2.702 3.265 . 0 0 "[ . 1 . 2]" 1
171 1 13 LYS HA 1 13 LYS HD2 . . 4.570 4.133 2.011 5.009 0.439 9 0 "[ . 1 . 2]" 1
172 1 13 LYS HA 1 13 LYS HD3 . . 4.560 4.226 2.191 4.793 0.233 15 0 "[ . 1 . 2]" 1
173 1 13 LYS HA 1 14 ILE H . . 3.190 2.155 2.141 2.197 . 0 0 "[ . 1 . 2]" 1
174 1 13 LYS HA 1 14 ILE MD . . 4.570 3.060 2.646 3.332 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS HA 1 24 ILE MG . . 4.040 3.538 3.102 3.831 . 0 0 "[ . 1 . 2]" 1
176 1 13 LYS HA 1 25 LEU H . . 5.120 4.645 4.325 4.864 . 0 0 "[ . 1 . 2]" 1
177 1 13 LYS HA 1 26 GLU HA . . 4.120 2.511 2.101 3.048 . 0 0 "[ . 1 . 2]" 1
178 1 13 LYS HA 1 26 GLU QG . . 4.730 3.378 2.612 3.885 . 0 0 "[ . 1 . 2]" 1
179 1 13 LYS HA 1 27 LYS H . . 4.860 3.620 3.247 4.090 . 0 0 "[ . 1 . 2]" 1
180 1 13 LYS QB 1 24 ILE MG . . 3.660 2.104 1.848 2.435 . 0 0 "[ . 1 . 2]" 1
181 1 13 LYS QB 1 86 CYS HA . . 3.420 3.229 3.074 3.435 0.015 3 0 "[ . 1 . 2]" 1
182 1 13 LYS QB 1 86 CYS QB . . 3.710 3.814 3.464 4.095 0.385 17 0 "[ . 1 . 2]" 1
183 1 13 LYS QB 1 87 LEU H . . 4.800 3.580 3.311 3.915 . 0 0 "[ . 1 . 2]" 1
184 1 13 LYS HD3 1 24 ILE MG . . 4.010 3.111 2.224 4.666 0.656 13 3 "[ . 1 *+ . - 2]" 1
185 1 13 LYS QE 1 24 ILE MD . . 4.720 4.534 3.829 5.062 0.342 8 0 "[ . 1 . 2]" 1
186 1 13 LYS QE 1 24 ILE MG . . 4.150 3.265 2.055 4.130 . 0 0 "[ . 1 . 2]" 1
187 1 13 LYS QG 1 26 GLU HA . . 4.900 3.528 2.969 4.931 0.031 18 0 "[ . 1 . 2]" 1
188 1 13 LYS QG 1 26 GLU QG . . 4.520 2.853 1.984 3.966 . 0 0 "[ . 1 . 2]" 1
189 1 13 LYS QG 1 86 CYS HA . . 4.540 4.537 3.343 5.167 0.627 7 4 "[ * . + 1- .* 2]" 1
190 1 14 ILE H 1 14 ILE HB . . 3.340 2.439 2.347 2.580 . 0 0 "[ . 1 . 2]" 1
191 1 14 ILE H 1 14 ILE MD . . 4.110 2.138 1.877 2.269 . 0 0 "[ . 1 . 2]" 1
192 1 14 ILE H 1 14 ILE HG12 . . 3.970 4.122 3.992 4.235 0.265 20 0 "[ . 1 . 2]" 1
193 1 14 ILE H 1 14 ILE HG13 . . 4.420 3.446 3.210 3.655 . 0 0 "[ . 1 . 2]" 1
194 1 14 ILE H 1 14 ILE MG . . 4.080 3.755 3.711 3.823 . 0 0 "[ . 1 . 2]" 1
195 1 14 ILE H 1 24 ILE HA . . 5.080 5.052 4.699 5.136 0.056 18 0 "[ . 1 . 2]" 1
196 1 14 ILE H 1 24 ILE MG . . 3.590 3.208 2.736 3.427 . 0 0 "[ . 1 . 2]" 1
197 1 14 ILE H 1 25 LEU H . . 4.070 3.300 2.968 3.502 . 0 0 "[ . 1 . 2]" 1
198 1 14 ILE H 1 25 LEU HB2 . . 4.280 3.791 3.310 4.062 . 0 0 "[ . 1 . 2]" 1
199 1 14 ILE H 1 26 GLU HA . . 4.520 3.261 2.981 3.797 . 0 0 "[ . 1 . 2]" 1
200 1 14 ILE HA 1 14 ILE MD . . 3.800 3.223 3.076 3.382 . 0 0 "[ . 1 . 2]" 1
201 1 14 ILE HA 1 14 ILE HG12 . . 3.980 3.515 3.466 3.592 . 0 0 "[ . 1 . 2]" 1
202 1 14 ILE HA 1 14 ILE HG13 . . 4.050 2.278 2.203 2.350 . 0 0 "[ . 1 . 2]" 1
203 1 14 ILE HA 1 14 ILE MG . . 3.180 2.418 2.313 2.484 . 0 0 "[ . 1 . 2]" 1
204 1 14 ILE HA 1 15 LYS H . . 3.120 2.147 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
205 1 14 ILE HA 1 87 LEU H . . 3.890 3.558 3.342 3.690 . 0 0 "[ . 1 . 2]" 1
206 1 14 ILE HA 1 87 LEU QB . . 3.940 2.288 2.080 2.596 . 0 0 "[ . 1 . 2]" 1
207 1 14 ILE HB 1 14 ILE MD . . 3.010 2.159 2.085 2.279 . 0 0 "[ . 1 . 2]" 1
208 1 14 ILE HB 1 25 LEU H . . 4.230 3.467 3.158 4.069 . 0 0 "[ . 1 . 2]" 1
209 1 14 ILE HB 1 25 LEU HB2 . . 3.440 2.990 2.165 3.470 0.030 13 0 "[ . 1 . 2]" 1
210 1 14 ILE HB 1 25 LEU QD . . 3.910 2.951 2.192 3.934 0.024 7 0 "[ . 1 . 2]" 1
211 1 14 ILE MD 1 15 LYS H . . 4.530 4.926 4.807 5.015 0.485 14 0 "[ . 1 . 2]" 1
212 1 14 ILE MD 1 25 LEU H . . 5.200 4.342 4.052 4.760 . 0 0 "[ . 1 . 2]" 1
213 1 14 ILE MD 1 25 LEU HB2 . . 4.390 3.297 2.543 3.929 . 0 0 "[ . 1 . 2]" 1
214 1 14 ILE MD 1 26 GLU H . . 5.290 4.267 3.837 4.900 . 0 0 "[ . 1 . 2]" 1
215 1 14 ILE MD 1 26 GLU HA . . 4.550 3.111 2.544 3.575 . 0 0 "[ . 1 . 2]" 1
216 1 14 ILE MD 1 27 LYS H . . 4.110 2.547 2.068 3.168 . 0 0 "[ . 1 . 2]" 1
217 1 14 ILE MD 1 27 LYS HA . . 4.600 4.099 3.743 4.496 . 0 0 "[ . 1 . 2]" 1
218 1 14 ILE MD 1 27 LYS HB2 . . 2.780 2.404 1.860 3.148 0.368 3 0 "[ . 1 . 2]" 1
219 1 14 ILE MD 1 27 LYS HB3 . . 3.240 2.264 1.951 3.375 0.135 4 0 "[ . 1 . 2]" 1
220 1 14 ILE MD 1 27 LYS QD . . 4.740 4.046 2.986 4.578 . 0 0 "[ . 1 . 2]" 1
221 1 14 ILE MD 1 27 LYS QE . . 4.970 4.763 3.783 5.625 0.655 16 2 "[ . 1 .+ - 2]" 1
222 1 14 ILE MD 1 27 LYS QG . . 3.160 3.364 2.578 3.632 0.472 18 0 "[ . 1 . 2]" 1
223 1 14 ILE MD 1 87 LEU H . . 4.880 4.778 4.436 5.165 0.285 10 0 "[ . 1 . 2]" 1
224 1 14 ILE MD 1 87 LEU QB . . 3.590 3.244 2.955 3.480 . 0 0 "[ . 1 . 2]" 1
225 1 14 ILE HG12 1 14 ILE MG . . 3.200 2.089 2.003 2.223 . 0 0 "[ . 1 . 2]" 1
226 1 14 ILE HG13 1 14 ILE MG . . 3.030 2.653 2.521 2.721 . 0 0 "[ . 1 . 2]" 1
227 1 14 ILE HG13 1 15 LYS H . . 4.700 4.228 4.092 4.363 . 0 0 "[ . 1 . 2]" 1
228 1 14 ILE HG13 1 87 LEU QB . . 4.250 2.342 2.066 2.681 . 0 0 "[ . 1 . 2]" 1
229 1 14 ILE MG 1 15 LYS H . . 3.470 2.554 2.199 2.916 . 0 0 "[ . 1 . 2]" 1
230 1 14 ILE MG 1 16 CYS H . . 5.060 3.836 3.200 4.351 . 0 0 "[ . 1 . 2]" 1
231 1 14 ILE MG 1 25 LEU H . . 4.610 4.135 3.684 4.659 0.049 14 0 "[ . 1 . 2]" 1
232 1 14 ILE MG 1 25 LEU HB2 . . 4.370 4.087 3.503 4.412 0.042 6 0 "[ . 1 . 2]" 1
233 1 14 ILE MG 1 89 VAL H . . 4.760 3.623 3.382 3.897 . 0 0 "[ . 1 . 2]" 1
234 1 14 ILE MG 1 89 VAL HB . . 3.770 3.297 3.041 3.725 . 0 0 "[ . 1 . 2]" 1
235 1 15 LYS H 1 15 LYS QB . . 3.640 2.623 2.484 2.806 . 0 0 "[ . 1 . 2]" 1
236 1 15 LYS H 1 24 ILE MG . . 4.670 4.300 3.819 4.723 0.053 8 0 "[ . 1 . 2]" 1
237 1 15 LYS H 1 87 LEU H . . 4.760 4.339 4.005 4.785 0.025 15 0 "[ . 1 . 2]" 1
238 1 15 LYS H 1 87 LEU QB . . 4.390 3.622 3.310 3.947 . 0 0 "[ . 1 . 2]" 1
239 1 15 LYS H 1 88 LEU HA . . 4.240 3.082 2.923 3.247 . 0 0 "[ . 1 . 2]" 1
240 1 15 LYS H 1 89 VAL H . . 4.470 3.288 2.977 3.640 . 0 0 "[ . 1 . 2]" 1
241 1 15 LYS H 1 89 VAL QG . . 4.110 3.469 3.116 3.820 . 0 0 "[ . 1 . 2]" 1
242 1 15 LYS HA 1 16 CYS H . . 3.000 2.156 2.141 2.201 . 0 0 "[ . 1 . 2]" 1
243 1 15 LYS QB 1 15 LYS QE . . 4.200 3.130 2.010 3.672 . 0 0 "[ . 1 . 2]" 1
244 1 15 LYS QB 1 16 CYS H . . 4.350 3.828 3.688 3.977 . 0 0 "[ . 1 . 2]" 1
245 1 15 LYS QB 1 24 ILE MD . . 3.640 3.013 1.850 4.155 0.515 3 1 "[ + . 1 . 2]" 1
246 1 15 LYS QB 1 24 ILE HG12 . . 4.700 2.589 1.990 5.075 0.375 8 0 "[ . 1 . 2]" 1
247 1 15 LYS QB 1 88 LEU HA . . 4.390 3.535 3.042 3.754 . 0 0 "[ . 1 . 2]" 1
248 1 15 LYS QB 1 88 LEU QD . . 2.920 2.810 2.430 3.199 0.279 6 0 "[ . 1 . 2]" 1
249 1 15 LYS QD 1 16 CYS H . . 5.000 4.837 3.047 5.357 0.357 12 0 "[ . 1 . 2]" 1
250 1 15 LYS QD 1 17 SER HA . . 5.130 4.646 2.476 5.175 0.045 7 0 "[ . 1 . 2]" 1
251 1 15 LYS QD 1 24 ILE MD . . 3.510 2.629 2.150 3.544 0.034 13 0 "[ . 1 . 2]" 1
252 1 15 LYS QD 1 88 LEU QD . . 3.670 3.070 2.372 3.669 . 0 0 "[ . 1 . 2]" 1
253 1 15 LYS QE 1 15 LYS HG2 . . 3.500 2.394 2.146 2.959 . 0 0 "[ . 1 . 2]" 1
254 1 15 LYS QE 1 15 LYS HG3 . . 3.410 2.822 2.229 3.427 0.017 5 0 "[ . 1 . 2]" 1
255 1 15 LYS QE 1 16 CYS H . . 4.960 4.971 4.140 5.321 0.361 4 0 "[ . 1 . 2]" 1
256 1 15 LYS QE 1 17 SER HA . . 4.350 3.562 2.124 4.346 . 0 0 "[ . 1 . 2]" 1
257 1 15 LYS QE 1 24 ILE MD . . 3.910 3.793 3.317 3.955 0.045 15 0 "[ . 1 . 2]" 1
258 1 15 LYS QE 1 24 ILE MG . . 4.540 5.220 4.602 5.451 0.911 8 16 "[****- *+***** .* ***]" 1
259 1 15 LYS QE 1 88 LEU QD . . 3.620 3.322 1.834 4.051 0.431 2 0 "[ . 1 . 2]" 1
260 1 15 LYS HG2 1 16 CYS H . . 4.480 3.142 2.545 3.607 . 0 0 "[ . 1 . 2]" 1
261 1 15 LYS HG2 1 17 SER H . . 5.060 4.639 3.935 5.050 . 0 0 "[ . 1 . 2]" 1
262 1 15 LYS HG2 1 17 SER HA . . 4.340 4.037 3.576 4.668 0.328 6 0 "[ . 1 . 2]" 1
263 1 15 LYS HG3 1 16 CYS H . . 4.250 3.684 3.084 4.272 0.022 12 0 "[ . 1 . 2]" 1
264 1 15 LYS HG3 1 24 ILE MD . . 3.850 3.113 1.902 3.927 0.077 14 0 "[ . 1 . 2]" 1
265 1 15 LYS HG3 1 24 ILE HG12 . . 4.690 2.692 2.112 4.586 . 0 0 "[ . 1 . 2]" 1
266 1 16 CYS H 1 16 CYS QB . . 3.610 2.271 2.149 2.446 . 0 0 "[ . 1 . 2]" 1
267 1 16 CYS H 1 17 SER H . . 5.110 4.431 4.123 4.619 . 0 0 "[ . 1 . 2]" 1
268 1 16 CYS H 1 19 GLN QG . . 4.760 5.130 4.566 5.390 0.630 7 6 "[* .*+ -* *. 2]" 1
269 1 16 CYS H 1 22 ARG HB3 . . 5.130 3.960 2.835 4.456 . 0 0 "[ . 1 . 2]" 1
270 1 16 CYS H 1 24 ILE MD . . 4.640 5.844 3.856 6.818 2.178 9 17 "[******* +*** ***- **]" 1
271 1 16 CYS HA 1 17 SER H . . 3.320 2.166 2.139 2.252 . 0 0 "[ . 1 . 2]" 1
272 1 16 CYS HA 1 89 VAL H . . 4.460 2.940 2.698 3.420 . 0 0 "[ . 1 . 2]" 1
273 1 16 CYS HA 1 89 VAL HB . . 3.620 2.707 2.155 2.895 . 0 0 "[ . 1 . 2]" 1
274 1 16 CYS HA 1 89 VAL QG . . 3.860 3.506 3.126 3.607 . 0 0 "[ . 1 . 2]" 1
275 1 16 CYS QB 1 17 SER H . . 5.020 3.504 2.832 3.847 . 0 0 "[ . 1 . 2]" 1
276 1 16 CYS QB 1 19 GLN H . . 4.460 2.834 1.957 3.822 . 0 0 "[ . 1 . 2]" 1
277 1 16 CYS QB 1 19 GLN HB2 . . 4.340 1.973 1.825 2.251 . 0 0 "[ . 1 . 2]" 1
278 1 16 CYS QB 1 19 GLN HB3 . . 3.970 3.333 2.480 3.749 . 0 0 "[ . 1 . 2]" 1
279 1 16 CYS QB 1 19 GLN QG . . 4.260 2.399 1.958 3.367 . 0 0 "[ . 1 . 2]" 1
280 1 16 CYS QB 1 22 ARG HB2 . . 4.720 3.483 2.552 4.744 0.024 5 0 "[ . 1 . 2]" 1
281 1 16 CYS QB 1 22 ARG HB3 . . 4.340 3.272 2.461 4.288 . 0 0 "[ . 1 . 2]" 1
282 1 16 CYS QB 1 22 ARG HD2 . . 4.600 3.763 2.400 4.527 . 0 0 "[ . 1 . 2]" 1
283 1 16 CYS QB 1 91 TRP HH2 . . 4.400 3.610 3.049 3.971 . 0 0 "[ . 1 . 2]" 1
284 1 16 CYS QB 1 91 TRP HZ3 . . 4.830 3.495 2.893 4.043 . 0 0 "[ . 1 . 2]" 1
285 1 17 SER H 1 17 SER QB . . 3.900 2.310 2.167 2.586 . 0 0 "[ . 1 . 2]" 1
286 1 17 SER H 1 89 VAL H . . 4.270 3.584 2.954 3.961 . 0 0 "[ . 1 . 2]" 1
287 1 17 SER H 1 89 VAL HB . . 4.900 4.247 3.580 4.543 . 0 0 "[ . 1 . 2]" 1
288 1 17 SER HA 1 19 GLN H . . 4.760 3.766 3.326 4.429 . 0 0 "[ . 1 . 2]" 1
289 1 17 SER HA 1 88 LEU QD . . 4.640 4.100 3.482 4.571 . 0 0 "[ . 1 . 2]" 1
290 1 17 SER QB 1 88 LEU HB3 . . 4.240 3.583 2.445 4.196 . 0 0 "[ . 1 . 2]" 1
291 1 17 SER QB 1 88 LEU QD . . 4.510 3.646 2.365 4.118 . 0 0 "[ . 1 . 2]" 1
292 1 17 SER QB 1 90 ARG HA . . 4.750 3.623 2.470 4.631 . 0 0 "[ . 1 . 2]" 1
293 1 17 SER QB 1 90 ARG HB2 . . 4.590 2.862 1.986 4.573 . 0 0 "[ . 1 . 2]" 1
294 1 17 SER QB 1 90 ARG HB3 . . 5.120 3.780 2.133 4.822 . 0 0 "[ . 1 . 2]" 1
295 1 17 SER QB 1 90 ARG QG . . 3.920 2.800 1.883 3.706 . 0 0 "[ . 1 . 2]" 1
296 1 18 ASN H 1 19 GLN H . . 4.350 2.542 2.075 2.841 . 0 0 "[ . 1 . 2]" 1
297 1 18 ASN HA 1 20 PRO HD3 . . 4.720 3.865 3.321 4.732 0.012 6 0 "[ . 1 . 2]" 1
298 1 18 ASN HB3 1 19 GLN H . . 4.220 3.782 2.895 4.437 0.217 18 0 "[ . 1 . 2]" 1
299 1 19 GLN H 1 19 GLN HB2 . . 4.180 2.727 2.436 2.899 . 0 0 "[ . 1 . 2]" 1
300 1 19 GLN H 1 19 GLN HB3 . . 4.180 3.774 3.559 3.874 . 0 0 "[ . 1 . 2]" 1
301 1 19 GLN H 1 19 GLN QG . . 4.550 2.835 2.084 3.639 . 0 0 "[ . 1 . 2]" 1
302 1 19 GLN H 1 20 PRO HD2 . . 4.980 4.310 4.088 4.478 . 0 0 "[ . 1 . 2]" 1
303 1 19 GLN H 1 20 PRO HD3 . . 4.210 3.692 3.357 3.974 . 0 0 "[ . 1 . 2]" 1
304 1 19 GLN HA 1 19 GLN QG . . 3.920 2.801 2.475 3.100 . 0 0 "[ . 1 . 2]" 1
305 1 19 GLN HA 1 20 PRO HD3 . . 3.270 2.674 2.419 2.841 . 0 0 "[ . 1 . 2]" 1
306 1 19 GLN HA 1 20 PRO QG . . 3.910 3.819 3.766 3.881 . 0 0 "[ . 1 . 2]" 1
307 1 19 GLN HB2 1 22 ARG H . . 4.930 3.876 3.230 4.736 . 0 0 "[ . 1 . 2]" 1
308 1 19 GLN HB2 1 22 ARG HD2 . . 4.540 3.822 2.643 5.020 0.480 18 0 "[ . 1 . 2]" 1
309 1 19 GLN HB3 1 20 PRO HD2 . . 4.040 3.957 3.619 4.299 0.259 18 0 "[ . 1 . 2]" 1
310 1 19 GLN QG 1 91 TRP HH2 . . 4.620 2.758 1.995 3.820 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLN QG 1 91 TRP HZ2 . . 4.640 3.831 3.235 4.323 . 0 0 "[ . 1 . 2]" 1
312 1 20 PRO HA 1 22 ARG H . . 4.880 4.464 3.869 4.876 . 0 0 "[ . 1 . 2]" 1
313 1 20 PRO HB2 1 21 GLU H . . 4.520 3.215 2.879 3.696 . 0 0 "[ . 1 . 2]" 1
314 1 20 PRO HB3 1 21 GLU H . . 4.660 4.072 3.879 4.351 . 0 0 "[ . 1 . 2]" 1
315 1 20 PRO HD2 1 21 GLU H . . 4.380 2.686 2.647 2.765 . 0 0 "[ . 1 . 2]" 1
316 1 20 PRO HD3 1 21 GLU H . . 4.880 3.852 3.836 3.904 . 0 0 "[ . 1 . 2]" 1
317 1 20 PRO QG 1 21 GLU H . . 3.720 2.233 1.896 2.834 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU H 1 21 GLU HB2 . . 4.140 2.624 2.198 3.643 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLU H 1 21 GLU HB3 . . 4.090 3.119 2.379 3.607 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLU H 1 21 GLU HG2 . . 4.460 3.502 1.929 4.575 0.115 14 0 "[ . 1 . 2]" 1
321 1 21 GLU H 1 21 GLU HG3 . . 4.700 3.545 1.993 4.629 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLU H 1 22 ARG H . . 3.700 2.622 2.160 2.939 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU HA 1 21 GLU HG2 . . 3.600 3.081 2.258 3.745 0.145 11 0 "[ . 1 . 2]" 1
324 1 21 GLU HA 1 21 GLU HG3 . . 3.810 3.028 2.280 3.814 0.004 6 0 "[ . 1 . 2]" 1
325 1 21 GLU HB2 1 22 ARG H . . 4.360 3.216 2.501 4.041 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU HB3 1 22 ARG H . . 4.130 3.296 2.252 4.106 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLU HG2 1 22 ARG H . . 5.210 4.267 2.105 5.186 . 0 0 "[ . 1 . 2]" 1
328 1 22 ARG H 1 22 ARG HB2 . . 3.380 2.350 2.176 2.574 . 0 0 "[ . 1 . 2]" 1
329 1 22 ARG H 1 22 ARG HB3 . . 3.840 3.123 2.508 3.604 . 0 0 "[ . 1 . 2]" 1
330 1 22 ARG H 1 22 ARG QG . . 3.840 3.359 2.457 4.048 0.208 2 0 "[ . 1 . 2]" 1
331 1 22 ARG H 1 23 GLN H . . 4.970 4.438 4.230 4.600 . 0 0 "[ . 1 . 2]" 1
332 1 22 ARG HA 1 22 ARG HD2 . . 4.460 4.132 3.192 4.686 0.226 14 0 "[ . 1 . 2]" 1
333 1 22 ARG HA 1 22 ARG HD3 . . 4.370 4.102 2.323 4.818 0.448 10 0 "[ . 1 . 2]" 1
334 1 22 ARG HA 1 22 ARG QG . . 3.560 2.360 2.153 2.729 . 0 0 "[ . 1 . 2]" 1
335 1 22 ARG HA 1 23 GLN H . . 3.200 2.178 2.140 2.432 . 0 0 "[ . 1 . 2]" 1
336 1 22 ARG HB2 1 22 ARG HD3 . . 3.780 3.238 2.599 3.673 . 0 0 "[ . 1 . 2]" 1
337 1 22 ARG HB2 1 23 GLN H . . 4.630 4.399 3.944 4.594 . 0 0 "[ . 1 . 2]" 1
338 1 22 ARG HB3 1 22 ARG HD2 . . 3.810 3.134 2.481 3.622 . 0 0 "[ . 1 . 2]" 1
339 1 22 ARG HB3 1 22 ARG HD3 . . 4.020 2.865 2.085 4.145 0.125 4 0 "[ . 1 . 2]" 1
340 1 22 ARG HB3 1 22 ARG QG . . 2.760 2.344 2.144 2.467 . 0 0 "[ . 1 . 2]" 1
341 1 22 ARG HD2 1 46 LEU QD . . 4.450 3.486 2.757 4.316 . 0 0 "[ . 1 . 2]" 1
342 1 22 ARG HD3 1 46 LEU QD . . 4.440 3.636 2.608 4.297 . 0 0 "[ . 1 . 2]" 1
343 1 22 ARG QG 1 23 GLN H . . 4.330 3.452 1.963 4.402 0.072 13 0 "[ . 1 . 2]" 1
344 1 23 GLN H 1 23 GLN QB . . 3.390 2.413 2.159 2.907 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLN H 1 23 GLN QG . . 3.840 2.980 1.929 3.989 0.149 17 0 "[ . 1 . 2]" 1
346 1 23 GLN HA 1 23 GLN QG . . 3.610 3.012 2.144 3.472 . 0 0 "[ . 1 . 2]" 1
347 1 23 GLN HA 1 24 ILE H . . 2.910 2.323 2.197 2.608 . 0 0 "[ . 1 . 2]" 1
348 1 23 GLN HA 1 24 ILE MD . . 5.370 4.606 2.767 4.850 . 0 0 "[ . 1 . 2]" 1
349 1 23 GLN HA 1 24 ILE HG12 . . 5.070 4.834 3.489 5.571 0.501 3 1 "[ + . 1 . 2]" 1
350 1 23 GLN HA 1 24 ILE HG13 . . 4.490 3.753 3.270 5.374 0.884 18 2 "[ . - 1 . + 2]" 1
351 1 23 GLN QB 1 24 ILE H . . 3.680 2.880 2.039 3.609 . 0 0 "[ . 1 . 2]" 1
352 1 23 GLN QB 1 25 LEU QD . . 3.940 3.413 2.606 3.966 0.026 7 0 "[ . 1 . 2]" 1
353 1 23 GLN QG 1 24 ILE H . . 4.620 3.219 2.158 4.394 . 0 0 "[ . 1 . 2]" 1
354 1 23 GLN QG 1 25 LEU QD . . 4.020 2.845 1.924 4.036 0.016 1 0 "[ . 1 . 2]" 1
355 1 24 ILE H 1 24 ILE HB . . 3.230 2.580 2.441 2.734 . 0 0 "[ . 1 . 2]" 1
356 1 24 ILE H 1 24 ILE MD . . 4.130 3.401 1.876 3.962 . 0 0 "[ . 1 . 2]" 1
357 1 24 ILE H 1 24 ILE HG12 . . 4.140 3.432 1.920 4.000 . 0 0 "[ . 1 . 2]" 1
358 1 24 ILE H 1 24 ILE HG13 . . 3.730 2.394 1.931 3.537 . 0 0 "[ . 1 . 2]" 1
359 1 24 ILE H 1 24 ILE MG . . 3.940 3.789 3.755 3.866 . 0 0 "[ . 1 . 2]" 1
360 1 24 ILE H 1 25 LEU H . . 4.810 4.576 4.492 4.634 . 0 0 "[ . 1 . 2]" 1
361 1 24 ILE HA 1 24 ILE MD . . 3.680 3.671 2.069 3.932 0.252 16 0 "[ . 1 . 2]" 1
362 1 24 ILE HA 1 24 ILE HG12 . . 3.740 2.754 2.533 3.507 . 0 0 "[ . 1 . 2]" 1
363 1 24 ILE HA 1 24 ILE HG13 . . 3.810 3.006 2.337 3.802 . 0 0 "[ . 1 . 2]" 1
364 1 24 ILE HA 1 24 ILE MG . . 3.120 2.315 2.199 2.476 . 0 0 "[ . 1 . 2]" 1
365 1 24 ILE HA 1 25 LEU H . . 2.980 2.222 2.154 2.295 . 0 0 "[ . 1 . 2]" 1
366 1 24 ILE HA 1 25 LEU HB2 . . 5.120 4.849 4.256 5.009 . 0 0 "[ . 1 . 2]" 1
367 1 24 ILE HA 1 25 LEU QD . . 4.350 3.207 2.184 4.454 0.104 7 0 "[ . 1 . 2]" 1
368 1 24 ILE HA 1 25 LEU HG . . 4.630 4.140 3.111 5.423 0.793 14 8 "[* * * 1 -+.** *2]" 1
369 1 24 ILE HB 1 24 ILE MD . . 3.160 2.410 2.186 3.217 0.057 8 0 "[ . 1 . 2]" 1
370 1 24 ILE HB 1 25 LEU H . . 4.090 3.917 3.685 4.138 0.048 14 0 "[ . 1 . 2]" 1
371 1 24 ILE MD 1 25 LEU H . . 4.810 4.811 3.583 5.151 0.341 14 0 "[ . 1 . 2]" 1
372 1 24 ILE HG12 1 25 LEU H . . 5.090 4.439 4.123 5.087 . 0 0 "[ . 1 . 2]" 1
373 1 24 ILE MG 1 25 LEU H . . 3.370 2.085 1.874 2.456 . 0 0 "[ . 1 . 2]" 1
374 1 24 ILE MG 1 25 LEU HA . . 4.530 3.686 3.479 3.966 . 0 0 "[ . 1 . 2]" 1
375 1 25 LEU H 1 25 LEU HB2 . . 3.810 2.868 2.253 3.031 . 0 0 "[ . 1 . 2]" 1
376 1 25 LEU H 1 25 LEU HB3 . . 4.060 3.776 3.514 3.876 . 0 0 "[ . 1 . 2]" 1
377 1 25 LEU H 1 25 LEU QD . . 4.280 2.694 1.759 3.686 . 0 0 "[ . 1 . 2]" 1
378 1 25 LEU H 1 25 LEU HG . . 3.550 3.156 2.214 3.991 0.441 14 0 "[ . 1 . 2]" 1
379 1 25 LEU H 1 26 GLU H . . 4.960 4.456 4.392 4.520 . 0 0 "[ . 1 . 2]" 1
380 1 25 LEU HA 1 25 LEU QD . . 3.060 2.457 2.103 2.929 . 0 0 "[ . 1 . 2]" 1
381 1 25 LEU HA 1 25 LEU HG . . 4.140 3.361 2.271 3.935 . 0 0 "[ . 1 . 2]" 1
382 1 25 LEU HA 1 26 GLU H . . 3.190 2.509 2.322 2.653 . 0 0 "[ . 1 . 2]" 1
383 1 25 LEU HB2 1 25 LEU QD . . 3.060 2.108 1.973 2.209 . 0 0 "[ . 1 . 2]" 1
384 1 25 LEU HB2 1 26 GLU H . . 4.190 3.074 2.659 3.593 . 0 0 "[ . 1 . 2]" 1
385 1 25 LEU HB3 1 26 GLU H . . 3.830 2.415 2.017 2.791 . 0 0 "[ . 1 . 2]" 1
386 1 25 LEU QD 1 26 GLU H . . 3.970 3.654 2.748 3.870 . 0 0 "[ . 1 . 2]" 1
387 1 25 LEU HG 1 26 GLU H . . 5.030 4.685 3.523 5.027 . 0 0 "[ . 1 . 2]" 1
388 1 26 GLU H 1 26 GLU QB . . 3.520 2.592 2.380 2.730 . 0 0 "[ . 1 . 2]" 1
389 1 26 GLU H 1 26 GLU QG . . 4.470 4.155 3.871 4.309 . 0 0 "[ . 1 . 2]" 1
390 1 26 GLU H 1 27 LYS H . . 5.010 4.207 4.007 4.414 . 0 0 "[ . 1 . 2]" 1
391 1 26 GLU HA 1 27 LYS H . . 3.470 2.146 2.138 2.219 . 0 0 "[ . 1 . 2]" 1
392 1 26 GLU HA 1 27 LYS HB3 . . 5.110 4.881 4.415 5.620 0.510 4 1 "[ +. 1 . 2]" 1
393 1 26 GLU QB 1 27 LYS H . . 4.370 3.746 3.161 3.872 . 0 0 "[ . 1 . 2]" 1
394 1 26 GLU QG 1 27 LYS H . . 4.610 2.969 2.278 3.572 . 0 0 "[ . 1 . 2]" 1
395 1 27 LYS H 1 27 LYS HB2 . . 3.960 2.957 2.487 3.470 . 0 0 "[ . 1 . 2]" 1
396 1 27 LYS H 1 27 LYS QG . . 4.330 4.070 3.476 4.244 . 0 0 "[ . 1 . 2]" 1
397 1 27 LYS H 1 28 GLN H . . 5.040 4.394 4.226 4.484 . 0 0 "[ . 1 . 2]" 1
398 1 27 LYS HA 1 27 LYS QD . . 3.500 2.527 2.020 3.701 0.201 14 0 "[ . 1 . 2]" 1
399 1 27 LYS HA 1 27 LYS QG . . 3.760 2.568 2.155 2.804 . 0 0 "[ . 1 . 2]" 1
400 1 27 LYS HA 1 28 GLN H . . 3.100 2.236 2.165 2.331 . 0 0 "[ . 1 . 2]" 1
401 1 27 LYS HA 1 28 GLN HB2 . . 4.730 4.369 4.188 4.529 . 0 0 "[ . 1 . 2]" 1
402 1 27 LYS HB2 1 28 GLN H . . 4.140 4.139 3.981 4.397 0.257 18 0 "[ . 1 . 2]" 1
403 1 27 LYS HB2 1 29 LEU QD . . 3.600 3.424 2.845 3.613 0.013 3 0 "[ . 1 . 2]" 1
404 1 27 LYS HB3 1 28 GLN H . . 3.460 3.691 2.774 4.156 0.696 5 3 "[ * + - . 2]" 1
405 1 27 LYS HB3 1 29 LEU QD . . 3.880 2.277 1.911 2.656 . 0 0 "[ . 1 . 2]" 1
406 1 27 LYS QD 1 28 GLN H . . 4.470 3.055 1.854 4.476 0.006 17 0 "[ . 1 . 2]" 1
407 1 27 LYS QD 1 29 LEU QD . . 3.590 2.932 1.591 3.496 . 0 0 "[ . 1 . 2]" 1
408 1 27 LYS QE 1 29 LEU QD . . 3.330 2.627 1.799 3.242 . 0 0 "[ . 1 . 2]" 1
409 1 27 LYS QE 1 41 LEU QD . . 4.290 2.563 1.867 3.414 . 0 0 "[ . 1 . 2]" 1
410 1 27 LYS QG 1 28 GLN H . . 4.310 2.643 2.012 4.102 . 0 0 "[ . 1 . 2]" 1
411 1 27 LYS QG 1 29 LEU QD . . 3.350 2.134 1.630 3.473 0.123 15 0 "[ . 1 . 2]" 1
412 1 28 GLN H 1 28 GLN HB2 . . 3.510 2.425 2.269 2.557 . 0 0 "[ . 1 . 2]" 1
413 1 28 GLN H 1 28 GLN HB3 . . 3.960 3.628 3.503 3.729 . 0 0 "[ . 1 . 2]" 1
414 1 28 GLN H 1 28 GLN HG3 . . 3.990 3.182 2.710 3.679 . 0 0 "[ . 1 . 2]" 1
415 1 28 GLN H 1 29 LEU H . . 4.940 4.332 4.190 4.488 . 0 0 "[ . 1 . 2]" 1
416 1 28 GLN H 1 29 LEU QD . . 4.580 2.792 2.586 3.194 . 0 0 "[ . 1 . 2]" 1
417 1 28 GLN HA 1 28 GLN HG2 . . 3.870 2.365 2.151 2.653 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLN HA 1 28 GLN HG3 . . 3.950 3.036 2.754 3.250 . 0 0 "[ . 1 . 2]" 1
419 1 28 GLN HA 1 29 LEU H . . 3.070 2.142 2.139 2.154 . 0 0 "[ . 1 . 2]" 1
420 1 28 GLN HA 1 29 LEU QD . . 4.660 2.714 2.585 2.887 . 0 0 "[ . 1 . 2]" 1
421 1 28 GLN HA 1 29 LEU HG . . 5.500 5.592 5.466 5.753 0.253 18 0 "[ . 1 . 2]" 1
422 1 28 GLN HB2 1 29 LEU H . . 4.670 4.396 4.251 4.511 . 0 0 "[ . 1 . 2]" 1
423 1 28 GLN HB3 1 29 LEU H . . 4.160 3.493 3.277 3.651 . 0 0 "[ . 1 . 2]" 1
424 1 28 GLN HG2 1 29 LEU H . . 4.680 4.154 3.825 4.379 . 0 0 "[ . 1 . 2]" 1
425 1 28 GLN HG3 1 29 LEU H . . 4.790 5.081 4.848 5.280 0.490 11 0 "[ . 1 . 2]" 1
426 1 29 LEU H 1 29 LEU HB2 . . 3.940 2.774 2.650 2.870 . 0 0 "[ . 1 . 2]" 1
427 1 29 LEU H 1 29 LEU HB3 . . 4.050 3.832 3.777 3.877 . 0 0 "[ . 1 . 2]" 1
428 1 29 LEU H 1 29 LEU QD . . 3.800 2.153 1.961 2.551 . 0 0 "[ . 1 . 2]" 1
429 1 29 LEU H 1 29 LEU HG . . 4.090 4.314 4.175 4.516 0.426 18 0 "[ . 1 . 2]" 1
430 1 29 LEU HA 1 29 LEU QD . . 2.920 1.998 1.915 2.264 . 0 0 "[ . 1 . 2]" 1
431 1 29 LEU HA 1 29 LEU HG . . 4.000 3.811 3.691 3.868 . 0 0 "[ . 1 . 2]" 1
432 1 29 LEU HA 1 30 PRO QD . . 2.990 2.033 1.995 2.076 . 0 0 "[ . 1 . 2]" 1
433 1 29 LEU HA 1 30 PRO QG . . 4.680 3.939 3.897 3.987 . 0 0 "[ . 1 . 2]" 1
434 1 29 LEU HA 1 33 MET ME . . 4.010 4.031 3.730 4.305 0.295 16 0 "[ . 1 . 2]" 1
435 1 29 LEU HB2 1 29 LEU QD . . 3.200 2.168 2.110 2.224 . 0 0 "[ . 1 . 2]" 1
436 1 29 LEU HB2 1 30 PRO QD . . 4.430 3.522 3.312 3.752 . 0 0 "[ . 1 . 2]" 1
437 1 29 LEU HB2 1 33 MET HB3 . . 4.390 4.441 4.081 4.710 0.320 12 0 "[ . 1 . 2]" 1
438 1 29 LEU HB2 1 38 VAL QG . . 4.470 3.607 3.403 4.039 . 0 0 "[ . 1 . 2]" 1
439 1 29 LEU HB3 1 29 LEU QD . . 3.230 2.333 2.253 2.376 . 0 0 "[ . 1 . 2]" 1
440 1 29 LEU HB3 1 30 PRO QD . . 3.770 2.166 1.982 2.386 . 0 0 "[ . 1 . 2]" 1
441 1 29 LEU HB3 1 33 MET ME . . 3.740 2.376 1.978 3.770 0.030 18 0 "[ . 1 . 2]" 1
442 1 29 LEU HB3 1 38 VAL QG . . 4.100 3.554 3.359 3.728 . 0 0 "[ . 1 . 2]" 1
443 1 29 LEU QD 1 30 PRO QD . . 3.710 2.726 2.337 2.956 . 0 0 "[ . 1 . 2]" 1
444 1 29 LEU QD 1 33 MET ME . . 2.890 2.342 1.926 2.748 . 0 0 "[ . 1 . 2]" 1
445 1 30 PRO HB2 1 31 ASP H . . 4.250 3.645 3.426 3.739 . 0 0 "[ . 1 . 2]" 1
446 1 30 PRO HB2 1 32 SER H . . 3.480 2.520 2.463 2.554 . 0 0 "[ . 1 . 2]" 1
447 1 30 PRO HB2 1 32 SER HB2 . . 4.840 3.357 2.399 3.899 . 0 0 "[ . 1 . 2]" 1
448 1 30 PRO HB2 1 32 SER HB3 . . 3.820 2.869 2.484 3.940 0.120 20 0 "[ . 1 . 2]" 1
449 1 30 PRO HB2 1 33 MET H . . 3.020 2.883 2.834 3.027 0.007 19 0 "[ . 1 . 2]" 1
450 1 30 PRO HB3 1 31 ASP H . . 4.140 4.077 3.929 4.143 0.003 3 0 "[ . 1 . 2]" 1
451 1 30 PRO HB3 1 32 SER H . . 4.010 4.020 3.967 4.044 0.034 1 0 "[ . 1 . 2]" 1
452 1 30 PRO HB3 1 32 SER HB3 . . 5.100 4.501 4.124 5.548 0.448 20 0 "[ . 1 . 2]" 1
453 1 30 PRO HB3 1 33 MET H . . 4.620 4.471 4.419 4.610 . 0 0 "[ . 1 . 2]" 1
454 1 30 PRO QD 1 33 MET H . . 4.640 4.157 4.013 4.278 . 0 0 "[ . 1 . 2]" 1
455 1 30 PRO QD 1 33 MET HB2 . . 4.600 2.875 2.678 3.105 . 0 0 "[ . 1 . 2]" 1
456 1 30 PRO QD 1 33 MET HB3 . . 4.520 3.951 3.754 4.079 . 0 0 "[ . 1 . 2]" 1
457 1 30 PRO QD 1 33 MET ME . . 3.230 3.172 3.022 3.212 . 0 0 "[ . 1 . 2]" 1
458 1 30 PRO QD 1 33 MET HG3 . . 5.150 4.581 3.935 5.014 . 0 0 "[ . 1 . 2]" 1
459 1 30 PRO QG 1 32 SER H . . 4.590 3.893 3.822 3.929 . 0 0 "[ . 1 . 2]" 1
460 1 30 PRO QG 1 32 SER HB3 . . 5.020 3.675 3.404 4.640 . 0 0 "[ . 1 . 2]" 1
461 1 30 PRO QG 1 33 MET H . . 4.150 2.542 2.397 2.753 . 0 0 "[ . 1 . 2]" 1
462 1 30 PRO QG 1 33 MET HG3 . . 4.760 3.905 3.565 4.105 . 0 0 "[ . 1 . 2]" 1
463 1 31 ASP H 1 31 ASP QB . . 3.740 2.390 2.129 2.594 . 0 0 "[ . 1 . 2]" 1
464 1 31 ASP H 1 32 SER H . . 3.620 2.827 2.738 2.887 . 0 0 "[ . 1 . 2]" 1
465 1 31 ASP H 1 33 MET H . . 4.950 4.530 4.262 4.633 . 0 0 "[ . 1 . 2]" 1
466 1 31 ASP HA 1 33 MET H . . 4.200 4.238 3.843 4.404 0.204 5 0 "[ . 1 . 2]" 1
467 1 31 ASP HA 1 76 LEU H . . 4.680 3.702 3.478 3.967 . 0 0 "[ . 1 . 2]" 1
468 1 31 ASP HA 1 76 LEU HB2 . . 3.330 2.280 2.005 2.463 . 0 0 "[ . 1 . 2]" 1
469 1 31 ASP HA 1 76 LEU HB3 . . 3.960 3.680 3.415 3.963 0.003 18 0 "[ . 1 . 2]" 1
470 1 31 ASP HA 1 76 LEU MD1 . . 4.450 4.841 4.488 4.979 0.529 18 2 "[ . - . + 2]" 1
471 1 31 ASP HA 1 76 LEU MD2 . . 3.610 3.245 2.910 3.624 0.014 17 0 "[ . 1 . 2]" 1
472 1 31 ASP HA 1 76 LEU HG . . 4.970 3.717 3.199 3.825 . 0 0 "[ . 1 . 2]" 1
473 1 31 ASP HA 1 77 GLN H . . 4.350 3.808 3.375 4.041 . 0 0 "[ . 1 . 2]" 1
474 1 31 ASP HA 1 77 GLN QB . . 3.960 4.300 3.971 4.573 0.613 13 3 "[ . * 1 + . -]" 1
475 1 31 ASP QB 1 32 SER H . . 4.930 3.541 2.967 3.658 . 0 0 "[ . 1 . 2]" 1
476 1 31 ASP QB 1 76 LEU HB2 . . 4.580 3.294 2.787 4.090 . 0 0 "[ . 1 . 2]" 1
477 1 31 ASP QB 1 76 LEU MD2 . . 4.390 4.497 4.169 5.178 0.788 17 2 "[ . 1 .-+ 2]" 1
478 1 31 ASP QB 1 77 GLN H . . 4.210 2.949 2.394 3.851 . 0 0 "[ . 1 . 2]" 1
479 1 31 ASP QB 1 77 GLN HA . . 4.450 3.584 3.112 4.196 . 0 0 "[ . 1 . 2]" 1
480 1 31 ASP QB 1 77 GLN QB . . 3.880 2.247 1.897 2.629 . 0 0 "[ . 1 . 2]" 1
481 1 31 ASP QB 1 77 GLN QG . . 4.780 3.900 3.275 4.265 . 0 0 "[ . 1 . 2]" 1
482 1 32 SER H 1 32 SER HB2 . . 3.610 2.413 2.169 2.727 . 0 0 "[ . 1 . 2]" 1
483 1 32 SER H 1 32 SER HB3 . . 3.570 2.740 2.374 3.482 . 0 0 "[ . 1 . 2]" 1
484 1 32 SER H 1 33 MET H . . 3.330 2.631 2.570 2.694 . 0 0 "[ . 1 . 2]" 1
485 1 32 SER H 1 76 LEU MD2 . . 5.020 4.919 4.680 5.307 0.287 15 0 "[ . 1 . 2]" 1
486 1 32 SER HA 1 75 PRO HB2 . . 3.550 3.301 3.046 3.443 . 0 0 "[ . 1 . 2]" 1
487 1 32 SER HA 1 75 PRO HB3 . . 3.650 2.953 2.707 3.290 . 0 0 "[ . 1 . 2]" 1
488 1 32 SER HA 1 75 PRO QG . . 4.510 4.096 3.884 4.265 . 0 0 "[ . 1 . 2]" 1
489 1 32 SER HA 1 77 GLN H . . 4.840 4.745 4.317 5.022 0.182 18 0 "[ . 1 . 2]" 1
490 1 32 SER HB2 1 33 MET H . . 4.880 3.705 2.838 4.024 . 0 0 "[ . 1 . 2]" 1
491 1 32 SER HB3 1 33 MET H . . 4.860 2.710 2.504 3.310 . 0 0 "[ . 1 . 2]" 1
492 1 33 MET H 1 33 MET HB2 . . 3.610 2.195 2.166 2.280 . 0 0 "[ . 1 . 2]" 1
493 1 33 MET H 1 33 MET HB3 . . 3.580 2.957 2.797 3.035 . 0 0 "[ . 1 . 2]" 1
494 1 33 MET H 1 33 MET HG2 . . 4.730 4.616 4.476 4.651 . 0 0 "[ . 1 . 2]" 1
495 1 33 MET H 1 33 MET HG3 . . 4.570 4.128 4.068 4.244 . 0 0 "[ . 1 . 2]" 1
496 1 33 MET H 1 38 VAL QG . . 5.150 5.213 4.964 5.396 0.246 1 0 "[ . 1 . 2]" 1
497 1 33 MET H 1 76 LEU MD2 . . 4.290 3.933 3.672 4.261 . 0 0 "[ . 1 . 2]" 1
498 1 33 MET HA 1 33 MET HG2 . . 3.970 3.100 2.657 3.215 . 0 0 "[ . 1 . 2]" 1
499 1 33 MET HA 1 33 MET HG3 . . 3.530 2.255 2.168 2.677 . 0 0 "[ . 1 . 2]" 1
500 1 33 MET HA 1 34 THR H . . 2.890 2.163 2.140 2.279 . 0 0 "[ . 1 . 2]" 1
501 1 33 MET HA 1 34 THR MG . . 3.930 3.992 3.812 4.188 0.258 4 0 "[ . 1 . 2]" 1
502 1 33 MET HA 1 38 VAL QG . . 5.000 4.761 4.400 4.943 . 0 0 "[ . 1 . 2]" 1
503 1 33 MET HB2 1 38 VAL QG . . 4.180 4.071 3.805 4.210 0.030 6 0 "[ . 1 . 2]" 1
504 1 33 MET HB2 1 76 LEU MD2 . . 4.450 4.040 3.691 4.349 . 0 0 "[ . 1 . 2]" 1
505 1 33 MET HB3 1 38 VAL QG . . 3.150 2.878 2.568 3.123 . 0 0 "[ . 1 . 2]" 1
506 1 33 MET HB3 1 76 LEU MD2 . . 4.350 2.750 2.326 3.080 . 0 0 "[ . 1 . 2]" 1
507 1 33 MET ME 1 33 MET HG2 . . 3.500 2.274 2.059 2.986 . 0 0 "[ . 1 . 2]" 1
508 1 33 MET ME 1 33 MET HG3 . . 3.190 3.032 2.033 3.287 0.097 11 0 "[ . 1 . 2]" 1
509 1 33 MET ME 1 37 LYS H . . 4.740 5.054 4.728 5.384 0.644 18 2 "[ . 1 -. + 2]" 1
510 1 33 MET ME 1 37 LYS HA . . 4.010 4.634 4.156 4.894 0.884 4 16 "[***+*** ******* *- 2]" 1
511 1 33 MET ME 1 38 VAL H . . 4.140 3.282 2.885 4.182 0.042 18 0 "[ . 1 . 2]" 1
512 1 33 MET ME 1 38 VAL HA . . 3.290 2.517 2.018 3.263 . 0 0 "[ . 1 . 2]" 1
513 1 33 MET ME 1 41 LEU H . . 4.800 4.733 4.397 4.846 0.046 17 0 "[ . 1 . 2]" 1
514 1 33 MET ME 1 41 LEU QD . . 3.350 2.894 2.573 3.200 . 0 0 "[ . 1 . 2]" 1
515 1 33 MET HG2 1 34 THR H . . 4.150 3.376 2.049 3.899 . 0 0 "[ . 1 . 2]" 1
516 1 33 MET HG2 1 37 LYS H . . 4.850 4.170 3.952 4.367 . 0 0 "[ . 1 . 2]" 1
517 1 33 MET HG2 1 37 LYS HB2 . . 3.510 2.051 1.995 2.252 . 0 0 "[ . 1 . 2]" 1
518 1 33 MET HG2 1 37 LYS HB3 . . 4.020 2.525 1.997 3.134 . 0 0 "[ . 1 . 2]" 1
519 1 33 MET HG2 1 38 VAL H . . 4.340 3.144 2.736 3.482 . 0 0 "[ . 1 . 2]" 1
520 1 33 MET HG2 1 38 VAL HA . . 5.030 4.197 3.667 5.081 0.051 16 0 "[ . 1 . 2]" 1
521 1 33 MET HG2 1 38 VAL QG . . 3.270 2.572 2.119 3.089 . 0 0 "[ . 1 . 2]" 1
522 1 33 MET HG2 1 76 LEU MD2 . . 4.130 4.031 3.634 4.332 0.202 14 0 "[ . 1 . 2]" 1
523 1 33 MET HG3 1 34 THR H . . 4.050 3.220 2.857 3.670 . 0 0 "[ . 1 . 2]" 1
524 1 33 MET HG3 1 34 THR MG . . 5.460 5.264 5.041 5.495 0.035 1 0 "[ . 1 . 2]" 1
525 1 33 MET HG3 1 37 LYS H . . 4.960 5.006 4.768 5.499 0.539 16 1 "[ . 1 .+ 2]" 1
526 1 33 MET HG3 1 37 LYS HB2 . . 3.340 2.765 2.443 3.160 . 0 0 "[ . 1 . 2]" 1
527 1 33 MET HG3 1 37 LYS HB3 . . 3.950 2.850 2.520 3.409 . 0 0 "[ . 1 . 2]" 1
528 1 33 MET HG3 1 37 LYS QD . . 4.340 3.345 1.992 4.380 0.040 19 0 "[ . 1 . 2]" 1
529 1 33 MET HG3 1 38 VAL H . . 4.970 4.659 4.227 4.919 . 0 0 "[ . 1 . 2]" 1
530 1 33 MET HG3 1 38 VAL QG . . 3.940 4.005 3.687 4.179 0.239 17 0 "[ . 1 . 2]" 1
531 1 34 THR H 1 34 THR MG . . 3.050 2.590 2.338 2.764 . 0 0 "[ . 1 . 2]" 1
532 1 34 THR H 1 35 VAL H . . 5.100 4.593 4.526 4.629 . 0 0 "[ . 1 . 2]" 1
533 1 34 THR H 1 37 LYS HB2 . . 3.670 3.066 2.736 3.353 . 0 0 "[ . 1 . 2]" 1
534 1 34 THR H 1 37 LYS HB3 . . 4.400 4.455 4.085 4.691 0.291 13 0 "[ . 1 . 2]" 1
535 1 34 THR H 1 37 LYS QD . . 4.270 4.402 3.154 4.783 0.513 20 5 "[ * . * *- +]" 1
536 1 34 THR H 1 37 LYS HG2 . . 4.900 4.238 3.528 5.159 0.259 8 0 "[ . 1 . 2]" 1
537 1 34 THR H 1 37 LYS HG3 . . 5.130 2.995 2.597 3.572 . 0 0 "[ . 1 . 2]" 1
538 1 34 THR H 1 38 VAL QG . . 5.210 4.628 4.295 4.858 . 0 0 "[ . 1 . 2]" 1
539 1 34 THR H 1 75 PRO HA . . 4.860 4.379 4.230 4.463 . 0 0 "[ . 1 . 2]" 1
540 1 34 THR HA 1 35 VAL H . . 3.060 2.207 2.168 2.249 . 0 0 "[ . 1 . 2]" 1
541 1 34 THR HA 1 35 VAL HB . . 4.310 4.684 4.536 4.861 0.551 11 1 "[ . 1+ . 2]" 1
542 1 34 THR HA 1 35 VAL QG . . 3.830 3.801 3.640 3.985 0.155 16 0 "[ . 1 . 2]" 1
543 1 34 THR HA 1 75 PRO HA . . 3.820 2.078 1.996 2.183 . 0 0 "[ . 1 . 2]" 1
544 1 34 THR HA 1 75 PRO HB2 . . 4.490 4.668 4.496 4.816 0.326 15 0 "[ . 1 . 2]" 1
545 1 34 THR HA 1 75 PRO HB3 . . 4.430 3.714 3.439 3.899 . 0 0 "[ . 1 . 2]" 1
546 1 34 THR HA 1 75 PRO HD3 . . 4.540 4.458 4.238 4.586 0.046 16 0 "[ . 1 . 2]" 1
547 1 34 THR HA 1 76 LEU H . . 3.940 4.063 3.779 4.216 0.276 18 0 "[ . 1 . 2]" 1
548 1 34 THR HB 1 35 VAL H . . 4.470 2.983 2.815 3.151 . 0 0 "[ . 1 . 2]" 1
549 1 34 THR HB 1 36 GLN H . . 3.600 2.652 2.466 2.861 . 0 0 "[ . 1 . 2]" 1
550 1 34 THR HB 1 37 LYS H . . 4.500 3.601 3.404 3.742 . 0 0 "[ . 1 . 2]" 1
551 1 34 THR HB 1 72 ASP HA . . 4.750 4.580 4.236 4.802 0.052 2 0 "[ . 1 . 2]" 1
552 1 34 THR HB 1 73 LEU HA . . 4.700 3.194 2.577 3.544 . 0 0 "[ . 1 . 2]" 1
553 1 34 THR MG 1 35 VAL H . . 3.940 3.719 3.643 3.851 . 0 0 "[ . 1 . 2]" 1
554 1 34 THR MG 1 36 GLN H . . 4.400 4.273 4.119 4.438 0.038 10 0 "[ . 1 . 2]" 1
555 1 34 THR MG 1 37 LYS H . . 4.710 4.512 4.358 4.621 . 0 0 "[ . 1 . 2]" 1
556 1 34 THR MG 1 37 LYS QE . . 5.010 5.207 3.422 6.347 1.337 20 8 "[ *** -* * . *+]" 1
557 1 34 THR MG 1 73 LEU HA . . 3.720 2.993 2.629 3.342 . 0 0 "[ . 1 . 2]" 1
558 1 34 THR MG 1 73 LEU QB . . 4.220 4.099 3.550 4.458 0.238 8 0 "[ . 1 . 2]" 1
559 1 34 THR MG 1 74 GLN H . . 4.990 3.930 3.361 4.562 . 0 0 "[ . 1 . 2]" 1
560 1 34 THR MG 1 75 PRO HA . . 3.570 3.150 3.025 3.347 . 0 0 "[ . 1 . 2]" 1
561 1 34 THR MG 1 75 PRO HB2 . . 4.800 4.808 4.725 4.858 0.058 20 0 "[ . 1 . 2]" 1
562 1 34 THR MG 1 75 PRO HB3 . . 3.780 3.434 3.326 3.544 . 0 0 "[ . 1 . 2]" 1
563 1 34 THR MG 1 75 PRO HD2 . . 4.710 4.540 4.206 4.794 0.084 5 0 "[ . 1 . 2]" 1
564 1 34 THR MG 1 75 PRO HD3 . . 4.200 3.272 2.976 3.517 . 0 0 "[ . 1 . 2]" 1
565 1 34 THR MG 1 75 PRO QG . . 4.800 4.311 4.169 4.447 . 0 0 "[ . 1 . 2]" 1
566 1 34 THR MG 1 76 LEU H . . 5.210 5.164 4.961 5.365 0.155 18 0 "[ . 1 . 2]" 1
567 1 35 VAL H 1 35 VAL HB . . 3.420 2.570 2.474 2.757 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL H 1 35 VAL QG . . 2.980 2.169 1.944 2.387 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL H 1 36 GLN H . . 3.940 2.929 2.810 3.061 . 0 0 "[ . 1 . 2]" 1
570 1 35 VAL H 1 72 ASP HA . . 4.330 4.074 3.991 4.117 . 0 0 "[ . 1 . 2]" 1
571 1 35 VAL H 1 74 GLN H . . 4.690 3.883 3.085 4.612 . 0 0 "[ . 1 . 2]" 1
572 1 35 VAL H 1 75 PRO HA . . 3.990 3.118 2.702 3.486 . 0 0 "[ . 1 . 2]" 1
573 1 35 VAL HA 1 35 VAL QG . . 2.980 2.091 2.010 2.163 . 0 0 "[ . 1 . 2]" 1
574 1 35 VAL HA 1 36 GLN HB2 . . 5.500 5.717 5.627 6.016 0.516 13 3 "[ * . 1- + . 2]" 1
575 1 35 VAL HA 1 37 LYS H . . 4.930 4.509 4.283 4.828 . 0 0 "[ . 1 . 2]" 1
576 1 35 VAL HA 1 38 VAL H . . 3.900 3.581 3.357 3.755 . 0 0 "[ . 1 . 2]" 1
577 1 35 VAL HA 1 38 VAL HB . . 3.240 3.052 2.754 3.269 0.029 12 0 "[ . 1 . 2]" 1
578 1 35 VAL HA 1 38 VAL QG . . 3.440 2.765 2.239 3.049 . 0 0 "[ . 1 . 2]" 1
579 1 35 VAL HA 1 39 LYS H . . 4.460 4.345 4.110 4.516 0.056 18 0 "[ . 1 . 2]" 1
580 1 35 VAL HA 1 39 LYS QG . . 4.960 4.458 3.886 6.210 1.250 18 1 "[ . 1 . + 2]" 1
581 1 35 VAL HA 1 72 ASP HA . . 4.700 4.778 4.441 4.946 0.246 10 0 "[ . 1 . 2]" 1
582 1 35 VAL HA 1 76 LEU MD1 . . 3.990 3.262 2.841 3.559 . 0 0 "[ . 1 . 2]" 1
583 1 35 VAL HA 1 76 LEU MD2 . . 4.880 2.888 2.601 3.125 . 0 0 "[ . 1 . 2]" 1
584 1 35 VAL HB 1 36 GLN H . . 3.480 2.762 2.446 2.960 . 0 0 "[ . 1 . 2]" 1
585 1 35 VAL HB 1 72 ASP HA . . 2.980 2.013 1.993 2.222 . 0 0 "[ . 1 . 2]" 1
586 1 35 VAL HB 1 74 GLN H . . 4.540 3.784 3.335 4.289 . 0 0 "[ . 1 . 2]" 1
587 1 35 VAL HB 1 76 LEU MD1 . . 5.130 4.887 4.334 5.381 0.251 20 0 "[ . 1 . 2]" 1
588 1 35 VAL QG 1 36 GLN H . . 3.980 3.210 3.091 3.389 . 0 0 "[ . 1 . 2]" 1
589 1 35 VAL QG 1 36 GLN HA . . 4.150 3.350 3.123 3.731 . 0 0 "[ . 1 . 2]" 1
590 1 35 VAL QG 1 36 GLN HB2 . . 4.470 4.342 4.107 4.695 0.225 11 0 "[ . 1 . 2]" 1
591 1 35 VAL QG 1 38 VAL H . . 4.880 4.345 4.149 4.544 . 0 0 "[ . 1 . 2]" 1
592 1 35 VAL QG 1 38 VAL HB . . 4.080 3.431 3.273 3.620 . 0 0 "[ . 1 . 2]" 1
593 1 35 VAL QG 1 39 LYS H . . 4.360 3.805 3.615 4.012 . 0 0 "[ . 1 . 2]" 1
594 1 35 VAL QG 1 39 LYS HD3 . . 3.560 3.643 2.556 4.007 0.447 11 0 "[ . 1 . 2]" 1
595 1 35 VAL QG 1 39 LYS HE2 . . 3.860 3.379 3.008 3.731 . 0 0 "[ . 1 . 2]" 1
596 1 35 VAL QG 1 39 LYS HE3 . . 3.330 2.125 1.824 3.450 0.120 20 0 "[ . 1 . 2]" 1
597 1 35 VAL QG 1 39 LYS QG . . 3.390 2.731 2.234 4.048 0.658 18 1 "[ . 1 . + 2]" 1
598 1 35 VAL QG 1 69 LEU HA . . 4.620 4.013 3.731 4.259 . 0 0 "[ . 1 . 2]" 1
599 1 35 VAL QG 1 69 LEU HB2 . . 3.540 2.474 2.089 2.844 . 0 0 "[ . 1 . 2]" 1
600 1 35 VAL QG 1 69 LEU HB3 . . 3.740 2.270 1.965 2.491 . 0 0 "[ . 1 . 2]" 1
601 1 35 VAL QG 1 69 LEU QD . . 3.520 2.030 1.759 2.350 . 0 0 "[ . 1 . 2]" 1
602 1 35 VAL QG 1 71 ASN H . . 4.700 4.302 3.660 4.666 . 0 0 "[ . 1 . 2]" 1
603 1 35 VAL QG 1 72 ASP HA . . 3.160 2.585 2.120 2.943 . 0 0 "[ . 1 . 2]" 1
604 1 35 VAL QG 1 72 ASP QB . . 4.560 3.428 3.013 3.989 . 0 0 "[ . 1 . 2]" 1
605 1 35 VAL QG 1 74 GLN H . . 4.740 3.757 3.158 4.200 . 0 0 "[ . 1 . 2]" 1
606 1 35 VAL QG 1 74 GLN HB2 . . 4.110 3.548 2.881 3.781 . 0 0 "[ . 1 . 2]" 1
607 1 35 VAL QG 1 75 PRO HA . . 4.380 3.760 3.492 4.192 . 0 0 "[ . 1 . 2]" 1
608 1 35 VAL QG 1 76 LEU H . . 4.240 4.094 3.788 4.236 . 0 0 "[ . 1 . 2]" 1
609 1 35 VAL QG 1 76 LEU HA . . 4.030 3.216 2.982 3.411 . 0 0 "[ . 1 . 2]" 1
610 1 35 VAL QG 1 79 TYR QD . . 3.740 3.156 2.604 3.451 . 0 0 "[ . 1 . 2]" 1
611 1 35 VAL QG 1 79 TYR QE . . 3.200 2.478 1.956 2.882 . 0 0 "[ . 1 . 2]" 1
612 1 36 GLN H 1 36 GLN HB2 . . 3.540 2.305 2.181 2.761 . 0 0 "[ . 1 . 2]" 1
613 1 36 GLN H 1 36 GLN HB3 . . 3.380 2.790 2.311 2.956 . 0 0 "[ . 1 . 2]" 1
614 1 36 GLN H 1 36 GLN HG2 . . 4.430 4.481 4.294 4.571 0.141 5 0 "[ . 1 . 2]" 1
615 1 36 GLN H 1 36 GLN HG3 . . 4.210 4.210 4.093 4.482 0.272 2 0 "[ . 1 . 2]" 1
616 1 36 GLN H 1 37 LYS H . . 3.870 2.779 2.604 2.957 . 0 0 "[ . 1 . 2]" 1
617 1 36 GLN H 1 72 ASP HA . . 3.650 2.987 2.472 3.339 . 0 0 "[ . 1 . 2]" 1
618 1 36 GLN H 1 72 ASP QB . . 4.380 3.139 2.786 3.569 . 0 0 "[ . 1 . 2]" 1
619 1 36 GLN H 1 73 LEU HA . . 4.960 4.540 3.978 4.853 . 0 0 "[ . 1 . 2]" 1
620 1 36 GLN H 1 73 LEU QD . . 4.870 5.092 4.426 5.313 0.443 12 0 "[ . 1 . 2]" 1
621 1 36 GLN HA 1 36 GLN HG2 . . 3.540 2.855 2.455 3.623 0.083 11 0 "[ . 1 . 2]" 1
622 1 36 GLN HA 1 36 GLN HG3 . . 3.820 2.536 2.342 2.747 . 0 0 "[ . 1 . 2]" 1
623 1 36 GLN HA 1 39 LYS H . . 4.270 3.570 3.426 3.810 . 0 0 "[ . 1 . 2]" 1
624 1 36 GLN HA 1 39 LYS HB2 . . 4.150 2.825 2.519 3.306 . 0 0 "[ . 1 . 2]" 1
625 1 36 GLN HA 1 39 LYS HB3 . . 4.510 4.408 4.100 4.578 0.068 18 0 "[ . 1 . 2]" 1
626 1 36 GLN HA 1 39 LYS HD2 . . 4.470 2.775 2.383 3.919 . 0 0 "[ . 1 . 2]" 1
627 1 36 GLN HA 1 39 LYS HD3 . . 4.300 3.941 3.120 4.180 . 0 0 "[ . 1 . 2]" 1
628 1 36 GLN HA 1 39 LYS QG . . 3.700 3.774 1.998 4.507 0.807 18 4 "[ - * 1 . *+ 2]" 1
629 1 36 GLN HA 1 40 GLY H . . 5.200 4.235 3.995 4.749 . 0 0 "[ . 1 . 2]" 1
630 1 36 GLN HA 1 72 ASP HA . . 4.700 3.948 3.505 4.319 . 0 0 "[ . 1 . 2]" 1
631 1 36 GLN HA 1 72 ASP QB . . 4.090 2.779 2.160 3.466 . 0 0 "[ . 1 . 2]" 1
632 1 36 GLN HB2 1 37 LYS H . . 3.810 3.591 3.439 4.034 0.224 2 0 "[ . 1 . 2]" 1
633 1 36 GLN HB2 1 72 ASP HA . . 4.120 3.473 3.060 3.934 . 0 0 "[ . 1 . 2]" 1
634 1 36 GLN HB2 1 72 ASP QB . . 3.790 2.004 1.913 2.142 . 0 0 "[ . 1 . 2]" 1
635 1 36 GLN HB3 1 37 LYS H . . 4.260 2.474 2.216 2.725 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLN HB3 1 72 ASP QB . . 3.520 3.500 3.270 3.723 0.203 9 0 "[ . 1 . 2]" 1
637 1 36 GLN HE21 1 73 LEU QD . . 4.770 4.024 3.091 5.154 0.384 19 0 "[ . 1 . 2]" 1
638 1 36 GLN HE22 1 73 LEU QD . . 4.540 3.549 2.804 4.274 . 0 0 "[ . 1 . 2]" 1
639 1 36 GLN HG2 1 37 LYS H . . 4.810 4.068 2.945 4.377 . 0 0 "[ . 1 . 2]" 1
640 1 36 GLN HG2 1 50 VAL MG1 . . 4.450 2.931 2.193 4.528 0.078 11 0 "[ . 1 . 2]" 1
641 1 36 GLN HG2 1 50 VAL MG2 . . 4.520 3.837 3.338 4.890 0.370 11 0 "[ . 1 . 2]" 1
642 1 36 GLN HG2 1 72 ASP QB . . 4.110 3.809 3.320 4.829 0.719 2 2 "[ + . 1- . 2]" 1
643 1 36 GLN HG3 1 37 LYS H . . 5.500 4.808 3.791 5.075 . 0 0 "[ . 1 . 2]" 1
644 1 36 GLN HG3 1 72 ASP QB . . 4.160 2.548 1.957 4.167 0.007 2 0 "[ . 1 . 2]" 1
645 1 37 LYS H 1 37 LYS HB2 . . 3.240 2.327 2.182 2.473 . 0 0 "[ . 1 . 2]" 1
646 1 37 LYS H 1 37 LYS HB3 . . 3.750 3.553 3.492 3.588 . 0 0 "[ . 1 . 2]" 1
647 1 37 LYS H 1 37 LYS HG2 . . 3.930 2.860 2.270 3.660 . 0 0 "[ . 1 . 2]" 1
648 1 37 LYS H 1 37 LYS HG3 . . 3.960 3.237 2.654 3.639 . 0 0 "[ . 1 . 2]" 1
649 1 37 LYS H 1 38 VAL H . . 3.430 2.835 2.675 2.964 . 0 0 "[ . 1 . 2]" 1
650 1 37 LYS H 1 38 VAL HB . . 5.130 5.044 4.864 5.179 0.049 20 0 "[ . 1 . 2]" 1
651 1 37 LYS H 1 38 VAL QG . . 4.530 4.087 3.882 4.240 . 0 0 "[ . 1 . 2]" 1
652 1 37 LYS H 1 39 LYS H . . 5.010 4.230 4.048 4.669 . 0 0 "[ . 1 . 2]" 1
653 1 37 LYS HA 1 37 LYS QD . . 3.530 2.913 2.094 3.945 0.415 4 0 "[ . 1 . 2]" 1
654 1 37 LYS HA 1 37 LYS QE . . 4.490 4.001 1.995 4.780 0.290 17 0 "[ . 1 . 2]" 1
655 1 37 LYS HA 1 37 LYS HG2 . . 3.880 2.454 2.166 2.753 . 0 0 "[ . 1 . 2]" 1
656 1 37 LYS HA 1 37 LYS HG3 . . 3.540 3.510 3.099 3.753 0.213 5 0 "[ . 1 . 2]" 1
657 1 37 LYS HA 1 38 VAL HA . . 5.010 4.829 4.782 4.880 . 0 0 "[ . 1 . 2]" 1
658 1 37 LYS HA 1 38 VAL QG . . 4.740 4.735 4.626 4.814 0.074 18 0 "[ . 1 . 2]" 1
659 1 37 LYS HA 1 40 GLY H . . 3.750 3.411 3.177 3.579 . 0 0 "[ . 1 . 2]" 1
660 1 37 LYS HA 1 40 GLY HA3 . . 4.370 3.804 3.589 3.962 . 0 0 "[ . 1 . 2]" 1
661 1 37 LYS HB2 1 37 LYS QD . . 3.760 3.143 2.590 3.447 . 0 0 "[ . 1 . 2]" 1
662 1 37 LYS HB2 1 37 LYS QE . . 4.140 3.658 2.420 4.425 0.285 20 0 "[ . 1 . 2]" 1
663 1 37 LYS HB2 1 38 VAL H . . 3.890 2.555 2.350 2.786 . 0 0 "[ . 1 . 2]" 1
664 1 37 LYS HB3 1 37 LYS QE . . 4.700 3.036 2.039 4.030 . 0 0 "[ . 1 . 2]" 1
665 1 37 LYS HB3 1 38 VAL H . . 4.250 3.254 3.000 3.555 . 0 0 "[ . 1 . 2]" 1
666 1 38 VAL H 1 38 VAL HB . . 3.360 2.613 2.523 2.742 . 0 0 "[ . 1 . 2]" 1
667 1 38 VAL H 1 38 VAL QG . . 2.970 1.942 1.864 2.049 . 0 0 "[ . 1 . 2]" 1
668 1 38 VAL H 1 39 LYS H . . 3.600 2.787 2.636 3.001 . 0 0 "[ . 1 . 2]" 1
669 1 38 VAL HA 1 38 VAL QG . . 3.030 2.153 2.055 2.176 . 0 0 "[ . 1 . 2]" 1
670 1 38 VAL HA 1 40 GLY H . . 4.960 4.421 3.981 4.859 . 0 0 "[ . 1 . 2]" 1
671 1 38 VAL HA 1 41 LEU H . . 3.910 3.570 3.240 3.804 . 0 0 "[ . 1 . 2]" 1
672 1 38 VAL HA 1 41 LEU HB2 . . 3.860 3.631 3.277 3.856 . 0 0 "[ . 1 . 2]" 1
673 1 38 VAL HA 1 41 LEU HB3 . . 3.540 2.960 2.823 3.056 . 0 0 "[ . 1 . 2]" 1
674 1 38 VAL HA 1 41 LEU QD . . 4.130 3.226 3.041 3.384 . 0 0 "[ . 1 . 2]" 1
675 1 38 VAL HA 1 42 LEU H . . 4.910 4.751 4.457 5.177 0.267 20 0 "[ . 1 . 2]" 1
676 1 38 VAL HB 1 39 LYS H . . 3.500 2.585 2.217 2.747 . 0 0 "[ . 1 . 2]" 1
677 1 38 VAL HB 1 39 LYS QG . . 4.420 3.400 2.971 4.610 0.190 18 0 "[ . 1 . 2]" 1
678 1 38 VAL HB 1 76 LEU MD1 . . 4.320 4.234 3.901 4.457 0.137 18 0 "[ . 1 . 2]" 1
679 1 38 VAL HB 1 76 LEU MD2 . . 4.150 4.010 3.806 4.401 0.251 18 0 "[ . 1 . 2]" 1
680 1 38 VAL QG 1 39 LYS H . . 3.890 3.207 2.886 3.299 . 0 0 "[ . 1 . 2]" 1
681 1 38 VAL QG 1 39 LYS HA . . 4.120 3.462 3.144 3.669 . 0 0 "[ . 1 . 2]" 1
682 1 39 LYS H 1 39 LYS HB2 . . 3.390 2.376 2.245 2.865 . 0 0 "[ . 1 . 2]" 1
683 1 39 LYS H 1 39 LYS HB3 . . 3.870 3.567 3.530 3.588 . 0 0 "[ . 1 . 2]" 1
684 1 39 LYS H 1 39 LYS HD2 . . 4.670 3.729 2.122 4.310 . 0 0 "[ . 1 . 2]" 1
685 1 39 LYS H 1 39 LYS HD3 . . 4.690 4.586 3.286 4.727 0.037 13 0 "[ . 1 . 2]" 1
686 1 39 LYS H 1 39 LYS QG . . 3.250 2.498 1.974 3.345 0.095 18 0 "[ . 1 . 2]" 1
687 1 39 LYS H 1 40 GLY H . . 3.710 2.607 2.453 2.871 . 0 0 "[ . 1 . 2]" 1
688 1 39 LYS H 1 50 VAL MG1 . . 4.610 4.280 4.123 4.527 . 0 0 "[ . 1 . 2]" 1
689 1 39 LYS H 1 55 LEU QD . . 4.250 3.613 3.139 3.980 . 0 0 "[ . 1 . 2]" 1
690 1 39 LYS HA 1 39 LYS HD2 . . 4.570 4.561 3.171 4.990 0.420 20 0 "[ . 1 . 2]" 1
691 1 39 LYS HA 1 39 LYS QG . . 3.410 2.392 2.139 2.695 . 0 0 "[ . 1 . 2]" 1
692 1 39 LYS HA 1 42 LEU H . . 4.200 3.698 3.412 3.999 . 0 0 "[ . 1 . 2]" 1
693 1 39 LYS HA 1 42 LEU HB2 . . 3.520 3.614 3.060 3.951 0.431 12 0 "[ . 1 . 2]" 1
694 1 39 LYS HA 1 42 LEU QD . . 3.230 3.474 3.008 3.856 0.626 3 3 "[ + . - 1 . *]" 1
695 1 39 LYS HA 1 43 SER H . . 4.540 4.120 3.842 4.263 . 0 0 "[ . 1 . 2]" 1
696 1 39 LYS HA 1 53 LEU HB3 . . 4.090 3.890 3.288 4.129 0.039 2 0 "[ . 1 . 2]" 1
697 1 39 LYS HA 1 53 LEU MD1 . . 3.520 2.768 2.360 3.022 . 0 0 "[ . 1 . 2]" 1
698 1 39 LYS HA 1 53 LEU MD2 . . 4.240 4.185 3.965 4.283 0.043 3 0 "[ . 1 . 2]" 1
699 1 39 LYS HA 1 55 LEU QD . . 4.200 2.613 2.364 2.940 . 0 0 "[ . 1 . 2]" 1
700 1 39 LYS HB2 1 39 LYS HE3 . . 5.090 4.382 3.996 4.560 . 0 0 "[ . 1 . 2]" 1
701 1 39 LYS HB2 1 40 GLY H . . 3.820 2.736 2.371 3.001 . 0 0 "[ . 1 . 2]" 1
702 1 39 LYS HB2 1 40 GLY HA2 . . 5.270 4.447 3.879 4.727 . 0 0 "[ . 1 . 2]" 1
703 1 39 LYS HB2 1 53 LEU MD1 . . 4.520 3.817 3.153 4.139 . 0 0 "[ . 1 . 2]" 1
704 1 39 LYS HB3 1 39 LYS HE2 . . 5.010 4.168 3.397 4.563 . 0 0 "[ . 1 . 2]" 1
705 1 39 LYS HB3 1 39 LYS HE3 . . 5.050 4.629 2.672 5.080 0.030 18 0 "[ . 1 . 2]" 1
706 1 39 LYS HB3 1 40 GLY H . . 3.960 3.590 3.306 3.770 . 0 0 "[ . 1 . 2]" 1
707 1 39 LYS HB3 1 40 GLY HA2 . . 5.010 4.309 4.047 4.809 . 0 0 "[ . 1 . 2]" 1
708 1 39 LYS HB3 1 40 GLY HA3 . . 5.250 5.115 4.823 5.567 0.317 20 0 "[ . 1 . 2]" 1
709 1 39 LYS HB3 1 50 VAL MG1 . . 3.280 2.234 2.007 2.582 . 0 0 "[ . 1 . 2]" 1
710 1 39 LYS HB3 1 50 VAL MG2 . . 3.170 2.343 1.889 3.002 . 0 0 "[ . 1 . 2]" 1
711 1 39 LYS HB3 1 53 LEU MD1 . . 4.200 2.372 2.186 2.859 . 0 0 "[ . 1 . 2]" 1
712 1 39 LYS HE2 1 50 VAL MG1 . . 4.930 4.350 3.957 4.593 . 0 0 "[ . 1 . 2]" 1
713 1 39 LYS HE2 1 53 LEU HB2 . . 5.020 4.236 3.661 4.616 . 0 0 "[ . 1 . 2]" 1
714 1 39 LYS HE2 1 53 LEU HB3 . . 5.110 3.492 2.997 3.919 . 0 0 "[ . 1 . 2]" 1
715 1 39 LYS HE2 1 54 LEU HA . . 4.790 2.871 2.100 3.702 . 0 0 "[ . 1 . 2]" 1
716 1 39 LYS HE2 1 55 LEU H . . 4.830 2.160 1.899 2.842 . 0 0 "[ . 1 . 2]" 1
717 1 39 LYS HE2 1 55 LEU HB2 . . 4.770 2.747 2.315 3.574 . 0 0 "[ . 1 . 2]" 1
718 1 39 LYS HE2 1 55 LEU HB3 . . 5.280 4.464 4.039 5.276 . 0 0 "[ . 1 . 2]" 1
719 1 39 LYS HE2 1 55 LEU QD . . 3.660 2.284 1.971 2.912 . 0 0 "[ . 1 . 2]" 1
720 1 39 LYS HE2 1 55 LEU HG . . 5.290 4.510 3.592 5.366 0.076 20 0 "[ . 1 . 2]" 1
721 1 39 LYS HE3 1 55 LEU H . . 4.060 2.848 1.978 3.662 . 0 0 "[ . 1 . 2]" 1
722 1 39 LYS HE3 1 55 LEU HB2 . . 5.410 2.299 1.998 2.667 . 0 0 "[ . 1 . 2]" 1
723 1 39 LYS HE3 1 55 LEU HB3 . . 5.060 3.941 3.655 4.310 . 0 0 "[ . 1 . 2]" 1
724 1 39 LYS HE3 1 55 LEU QD . . 4.550 2.705 1.873 3.338 . 0 0 "[ . 1 . 2]" 1
725 1 39 LYS HE3 1 55 LEU HG . . 5.210 4.179 3.225 5.289 0.079 19 0 "[ . 1 . 2]" 1
726 1 39 LYS QG 1 53 LEU HB3 . . 4.270 2.652 1.986 4.510 0.240 20 0 "[ . 1 . 2]" 1
727 1 40 GLY H 1 41 LEU H . . 3.590 2.601 2.461 2.752 . 0 0 "[ . 1 . 2]" 1
728 1 40 GLY H 1 50 VAL MG2 . . 3.750 2.705 2.468 2.977 . 0 0 "[ . 1 . 2]" 1
729 1 40 GLY H 1 53 LEU MD1 . . 4.890 4.489 4.168 4.637 . 0 0 "[ . 1 . 2]" 1
730 1 40 GLY HA2 1 43 SER H . . 4.550 3.328 3.112 3.608 . 0 0 "[ . 1 . 2]" 1
731 1 40 GLY HA2 1 50 VAL MG2 . . 3.710 2.129 1.880 2.370 . 0 0 "[ . 1 . 2]" 1
732 1 40 GLY HA3 1 41 LEU H . . 3.640 2.987 2.802 3.233 . 0 0 "[ . 1 . 2]" 1
733 1 40 GLY HA3 1 41 LEU HB3 . . 5.300 5.245 5.162 5.335 0.035 4 0 "[ . 1 . 2]" 1
734 1 40 GLY HA3 1 43 SER H . . 4.970 4.567 4.368 4.797 . 0 0 "[ . 1 . 2]" 1
735 1 40 GLY HA3 1 50 VAL MG2 . . 4.010 2.859 2.581 3.134 . 0 0 "[ . 1 . 2]" 1
736 1 41 LEU H 1 41 LEU HB2 . . 3.250 2.750 2.577 2.934 . 0 0 "[ . 1 . 2]" 1
737 1 41 LEU H 1 41 LEU HB3 . . 3.230 2.304 2.237 2.433 . 0 0 "[ . 1 . 2]" 1
738 1 41 LEU H 1 41 LEU QD . . 4.260 3.718 3.698 3.750 . 0 0 "[ . 1 . 2]" 1
739 1 41 LEU H 1 41 LEU HG . . 4.100 4.335 4.253 4.432 0.332 18 0 "[ . 1 . 2]" 1
740 1 41 LEU H 1 42 LEU H . . 3.500 2.664 2.368 2.997 . 0 0 "[ . 1 . 2]" 1
741 1 41 LEU H 1 43 SER H . . 4.600 3.769 3.415 4.073 . 0 0 "[ . 1 . 2]" 1
742 1 41 LEU H 1 50 VAL MG2 . . 4.800 4.372 4.172 4.651 . 0 0 "[ . 1 . 2]" 1
743 1 41 LEU HA 1 41 LEU QD . . 3.320 2.512 2.332 2.678 . 0 0 "[ . 1 . 2]" 1
744 1 41 LEU HA 1 41 LEU HG . . 3.630 3.080 3.001 3.202 . 0 0 "[ . 1 . 2]" 1
745 1 41 LEU HB2 1 42 LEU H . . 3.830 3.953 3.701 4.083 0.253 9 0 "[ . 1 . 2]" 1
746 1 41 LEU HB3 1 41 LEU HG . . 3.000 2.631 2.569 2.664 . 0 0 "[ . 1 . 2]" 1
747 1 41 LEU HB3 1 42 LEU H . . 3.730 2.599 2.213 2.822 . 0 0 "[ . 1 . 2]" 1
748 1 41 LEU QD 1 42 LEU H . . 4.950 3.531 3.285 3.763 . 0 0 "[ . 1 . 2]" 1
749 1 42 LEU H 1 42 LEU HB2 . . 2.990 2.451 2.368 2.558 . 0 0 "[ . 1 . 2]" 1
750 1 42 LEU H 1 42 LEU HB3 . . 3.900 3.611 3.584 3.641 . 0 0 "[ . 1 . 2]" 1
751 1 42 LEU H 1 42 LEU QD . . 3.580 3.171 2.967 3.325 . 0 0 "[ . 1 . 2]" 1
752 1 42 LEU H 1 42 LEU HG . . 3.600 2.510 2.178 2.757 . 0 0 "[ . 1 . 2]" 1
753 1 42 LEU H 1 43 SER H . . 3.570 2.344 2.193 2.541 . 0 0 "[ . 1 . 2]" 1
754 1 42 LEU HA 1 42 LEU QD . . 2.820 2.348 2.078 2.563 . 0 0 "[ . 1 . 2]" 1
755 1 42 LEU HA 1 42 LEU HG . . 4.230 2.917 2.792 3.139 . 0 0 "[ . 1 . 2]" 1
756 1 42 LEU HA 1 45 LEU H . . 4.010 2.948 2.769 3.167 . 0 0 "[ . 1 . 2]" 1
757 1 42 LEU HA 1 45 LEU HB2 . . 3.440 2.599 2.023 3.653 0.213 10 0 "[ . 1 . 2]" 1
758 1 42 LEU HA 1 45 LEU HB3 . . 3.650 3.373 2.209 3.916 0.266 1 0 "[ . 1 . 2]" 1
759 1 42 LEU HA 1 45 LEU MD2 . . 3.780 3.337 2.028 4.546 0.766 3 3 "[ *+ . 1 .- 2]" 1
760 1 42 LEU HA 1 45 LEU HG . . 4.340 4.029 2.612 4.644 0.304 17 0 "[ . 1 . 2]" 1
761 1 42 LEU HA 1 46 LEU H . . 4.530 3.821 3.551 4.124 . 0 0 "[ . 1 . 2]" 1
762 1 42 LEU HA 1 46 LEU QD . . 4.240 4.357 3.926 4.734 0.494 8 0 "[ . 1 . 2]" 1
763 1 42 LEU HA 1 46 LEU HG . . 4.410 4.812 4.340 5.109 0.699 4 8 "[** +.* * 1- .* *2]" 1
764 1 42 LEU HB2 1 43 SER H . . 3.710 2.902 2.592 3.152 . 0 0 "[ . 1 . 2]" 1
765 1 42 LEU HB2 1 43 SER HA . . 4.350 4.245 4.061 4.387 0.037 10 0 "[ . 1 . 2]" 1
766 1 42 LEU HB3 1 42 LEU QD . . 3.000 2.042 1.962 2.142 . 0 0 "[ . 1 . 2]" 1
767 1 42 LEU HB3 1 43 SER H . . 4.300 3.877 3.655 4.033 . 0 0 "[ . 1 . 2]" 1
768 1 42 LEU HB3 1 43 SER HA . . 4.870 4.582 4.428 4.680 . 0 0 "[ . 1 . 2]" 1
769 1 43 SER H 1 43 SER QB . . 3.060 2.228 2.156 2.290 . 0 0 "[ . 1 . 2]" 1
770 1 43 SER H 1 43 SER HG . . 4.390 4.373 4.275 4.447 0.057 7 0 "[ . 1 . 2]" 1
771 1 43 SER H 1 44 ARG H . . 3.660 2.883 2.651 3.091 . 0 0 "[ . 1 . 2]" 1
772 1 43 SER H 1 50 VAL MG2 . . 3.950 3.894 3.676 4.029 0.079 18 0 "[ . 1 . 2]" 1
773 1 43 SER H 1 53 LEU MD1 . . 3.670 2.851 2.346 3.123 . 0 0 "[ . 1 . 2]" 1
774 1 43 SER HA 1 43 SER QB . . 2.610 2.251 2.223 2.277 . 0 0 "[ . 1 . 2]" 1
775 1 43 SER HA 1 43 SER HG . . 3.690 2.742 2.511 2.964 . 0 0 "[ . 1 . 2]" 1
776 1 43 SER HA 1 46 LEU H . . 4.640 4.036 3.843 4.273 . 0 0 "[ . 1 . 2]" 1
777 1 43 SER HA 1 46 LEU HB2 . . 4.480 3.981 3.434 4.409 . 0 0 "[ . 1 . 2]" 1
778 1 43 SER HA 1 47 LYS H . . 4.520 4.351 4.005 4.552 0.032 17 0 "[ . 1 . 2]" 1
779 1 43 SER HA 1 48 VAL H . . 3.340 2.664 2.405 2.882 . 0 0 "[ . 1 . 2]" 1
780 1 43 SER HA 1 48 VAL MG2 . . 4.420 4.266 4.076 4.462 0.042 6 0 "[ . 1 . 2]" 1
781 1 43 SER HA 1 53 LEU MD1 . . 3.530 2.158 1.966 2.514 . 0 0 "[ . 1 . 2]" 1
782 1 43 SER HA 1 53 LEU MD2 . . 4.240 3.676 3.087 3.954 . 0 0 "[ . 1 . 2]" 1
783 1 43 SER QB 1 44 ARG H . . 3.440 2.761 2.594 2.972 . 0 0 "[ . 1 . 2]" 1
784 1 43 SER QB 1 44 ARG QB . . 4.510 4.524 4.459 4.562 0.052 15 0 "[ . 1 . 2]" 1
785 1 43 SER QB 1 44 ARG HG2 . . 4.760 3.687 3.412 5.114 0.354 4 0 "[ . 1 . 2]" 1
786 1 43 SER QB 1 44 ARG HG3 . . 5.150 4.788 3.770 5.154 0.004 8 0 "[ . 1 . 2]" 1
787 1 43 SER QB 1 48 VAL H . . 4.490 4.305 4.008 4.506 0.016 14 0 "[ . 1 . 2]" 1
788 1 43 SER QB 1 50 VAL H . . 4.320 3.183 2.896 3.478 . 0 0 "[ . 1 . 2]" 1
789 1 43 SER QB 1 50 VAL HA . . 3.510 3.355 3.154 3.544 0.034 17 0 "[ . 1 . 2]" 1
790 1 43 SER QB 1 50 VAL HB . . 3.860 4.443 4.342 4.581 0.721 20 16 "[* **** *********-+]" 1
791 1 43 SER QB 1 50 VAL MG2 . . 2.880 2.093 1.940 2.248 . 0 0 "[ . 1 . 2]" 1
792 1 43 SER QB 1 53 LEU MD1 . . 3.390 2.069 1.828 2.235 . 0 0 "[ . 1 . 2]" 1
793 1 43 SER QB 1 53 LEU MD2 . . 4.520 4.360 3.879 4.519 . 0 0 "[ . 1 . 2]" 1
794 1 43 SER QB 1 53 LEU HG . . 4.590 4.141 3.654 4.347 . 0 0 "[ . 1 . 2]" 1
795 1 43 SER HG 1 44 ARG H . . 4.840 4.211 3.766 4.599 . 0 0 "[ . 1 . 2]" 1
796 1 43 SER HG 1 48 VAL H . . 4.500 3.605 2.974 4.030 . 0 0 "[ . 1 . 2]" 1
797 1 43 SER HG 1 49 PRO HA . . 3.910 2.849 2.398 3.260 . 0 0 "[ . 1 . 2]" 1
798 1 43 SER HG 1 50 VAL H . . 4.260 3.387 2.933 4.007 . 0 0 "[ . 1 . 2]" 1
799 1 43 SER HG 1 50 VAL MG2 . . 4.080 3.560 3.148 3.991 . 0 0 "[ . 1 . 2]" 1
800 1 43 SER HG 1 53 LEU MD1 . . 4.640 3.432 3.083 3.750 . 0 0 "[ . 1 . 2]" 1
801 1 44 ARG H 1 44 ARG QB . . 3.090 2.348 2.247 2.433 . 0 0 "[ . 1 . 2]" 1
802 1 44 ARG H 1 44 ARG HD2 . . 4.950 4.712 2.012 5.104 0.154 15 0 "[ . 1 . 2]" 1
803 1 44 ARG H 1 44 ARG HD3 . . 5.090 4.386 2.035 5.124 0.034 10 0 "[ . 1 . 2]" 1
804 1 44 ARG H 1 44 ARG HG2 . . 3.690 2.716 2.289 3.820 0.130 4 0 "[ . 1 . 2]" 1
805 1 44 ARG H 1 44 ARG HG3 . . 4.130 3.506 2.530 3.854 . 0 0 "[ . 1 . 2]" 1
806 1 44 ARG H 1 45 LEU H . . 3.440 2.450 2.241 2.679 . 0 0 "[ . 1 . 2]" 1
807 1 44 ARG H 1 46 LEU H . . 4.510 4.469 3.958 4.744 0.234 1 0 "[ . 1 . 2]" 1
808 1 44 ARG H 1 53 LEU MD1 . . 4.830 4.713 4.400 4.876 0.046 7 0 "[ . 1 . 2]" 1
809 1 44 ARG HA 1 44 ARG HD2 . . 4.230 3.414 2.209 4.295 0.065 10 0 "[ . 1 . 2]" 1
810 1 44 ARG HA 1 44 ARG HD3 . . 4.230 2.827 2.042 3.918 . 0 0 "[ . 1 . 2]" 1
811 1 44 ARG HA 1 44 ARG HG2 . . 3.770 2.738 2.294 3.687 . 0 0 "[ . 1 . 2]" 1
812 1 44 ARG HA 1 44 ARG HG3 . . 3.450 3.640 2.477 3.768 0.318 20 0 "[ . 1 . 2]" 1
813 1 44 ARG HA 1 47 LYS H . . 4.310 3.602 3.237 3.951 . 0 0 "[ . 1 . 2]" 1
814 1 44 ARG HA 1 47 LYS HA . . 4.530 3.238 2.927 3.711 . 0 0 "[ . 1 . 2]" 1
815 1 44 ARG HA 1 48 VAL H . . 5.220 4.574 4.232 4.954 . 0 0 "[ . 1 . 2]" 1
816 1 44 ARG QB 1 44 ARG HD2 . . 3.610 2.521 2.106 3.313 . 0 0 "[ . 1 . 2]" 1
817 1 44 ARG QB 1 44 ARG HD3 . . 3.590 2.718 2.090 3.429 . 0 0 "[ . 1 . 2]" 1
818 1 44 ARG QB 1 45 LEU H . . 3.570 2.823 2.350 3.231 . 0 0 "[ . 1 . 2]" 1
819 1 44 ARG QB 1 45 LEU MD1 . . 4.550 4.162 2.682 5.201 0.651 15 6 "[ . * * -+ * *]" 1
820 1 45 LEU H 1 45 LEU HB2 . . 3.140 2.382 2.163 2.913 . 0 0 "[ . 1 . 2]" 1
821 1 45 LEU H 1 45 LEU HB3 . . 3.440 3.135 2.244 3.587 0.147 9 0 "[ . 1 . 2]" 1
822 1 45 LEU H 1 45 LEU MD1 . . 4.220 3.349 2.076 4.208 . 0 0 "[ . 1 . 2]" 1
823 1 45 LEU H 1 45 LEU MD2 . . 4.160 3.887 2.342 4.298 0.138 10 0 "[ . 1 . 2]" 1
824 1 45 LEU H 1 45 LEU HG . . 3.620 3.796 2.495 4.308 0.688 20 6 "[ . * * *- * +]" 1
825 1 45 LEU H 1 46 LEU H . . 3.490 2.730 2.447 2.938 . 0 0 "[ . 1 . 2]" 1
826 1 45 LEU HA 1 45 LEU MD1 . . 3.110 2.758 1.977 3.887 0.777 1 5 "[+*- . *1 .* 2]" 1
827 1 45 LEU HB2 1 45 LEU MD2 . . 3.180 2.571 2.162 3.182 0.002 3 0 "[ . 1 . 2]" 1
828 1 45 LEU HB2 1 46 LEU H . . 3.690 2.853 2.140 3.995 0.305 15 0 "[ . 1 . 2]" 1
829 1 45 LEU HB3 1 45 LEU MD2 . . 2.990 2.364 1.988 3.192 0.202 8 0 "[ . 1 . 2]" 1
830 1 45 LEU HB3 1 46 LEU H . . 3.690 2.756 2.249 3.217 . 0 0 "[ . 1 . 2]" 1
831 1 45 LEU MD1 1 46 LEU H . . 5.030 4.093 3.780 4.474 . 0 0 "[ . 1 . 2]" 1
832 1 46 LEU H 1 46 LEU HB2 . . 3.510 2.427 2.323 2.494 . 0 0 "[ . 1 . 2]" 1
833 1 46 LEU H 1 46 LEU HB3 . . 3.850 3.613 3.585 3.646 . 0 0 "[ . 1 . 2]" 1
834 1 46 LEU H 1 46 LEU QD . . 3.560 3.189 3.088 3.298 . 0 0 "[ . 1 . 2]" 1
835 1 46 LEU H 1 46 LEU HG . . 3.210 2.599 2.377 3.046 . 0 0 "[ . 1 . 2]" 1
836 1 46 LEU H 1 47 LYS H . . 3.320 2.565 2.353 2.797 . 0 0 "[ . 1 . 2]" 1
837 1 46 LEU H 1 47 LYS HA . . 4.450 4.686 4.519 4.848 0.398 10 0 "[ . 1 . 2]" 1
838 1 46 LEU H 1 48 VAL H . . 4.700 3.750 3.614 4.018 . 0 0 "[ . 1 . 2]" 1
839 1 46 LEU H 1 48 VAL MG2 . . 4.940 4.312 4.019 4.698 . 0 0 "[ . 1 . 2]" 1
840 1 46 LEU HA 1 46 LEU QD . . 2.830 2.358 2.167 2.498 . 0 0 "[ . 1 . 2]" 1
841 1 46 LEU HA 1 46 LEU HG . . 3.620 2.858 2.643 2.936 . 0 0 "[ . 1 . 2]" 1
842 1 46 LEU HA 1 48 VAL MG2 . . 4.860 3.932 3.729 4.111 . 0 0 "[ . 1 . 2]" 1
843 1 46 LEU HB2 1 47 LYS H . . 4.380 3.685 3.433 3.972 . 0 0 "[ . 1 . 2]" 1
844 1 46 LEU HB2 1 48 VAL H . . 4.490 3.279 2.898 3.745 . 0 0 "[ . 1 . 2]" 1
845 1 46 LEU HB2 1 48 VAL HB . . 4.520 3.207 2.979 3.422 . 0 0 "[ . 1 . 2]" 1
846 1 46 LEU HB2 1 48 VAL MG1 . . 4.580 4.525 4.376 4.688 0.108 4 0 "[ . 1 . 2]" 1
847 1 46 LEU HB2 1 48 VAL MG2 . . 3.630 2.451 2.112 2.872 . 0 0 "[ . 1 . 2]" 1
848 1 46 LEU HB3 1 46 LEU QD . . 3.040 2.046 1.978 2.121 . 0 0 "[ . 1 . 2]" 1
849 1 46 LEU HB3 1 47 LYS H . . 4.920 4.306 4.160 4.391 . 0 0 "[ . 1 . 2]" 1
850 1 46 LEU HB3 1 48 VAL H . . 4.890 4.159 3.566 4.539 . 0 0 "[ . 1 . 2]" 1
851 1 46 LEU HB3 1 48 VAL MG2 . . 3.460 2.209 1.972 2.582 . 0 0 "[ . 1 . 2]" 1
852 1 46 LEU QD 1 47 LYS H . . 4.650 4.488 4.398 4.546 . 0 0 "[ . 1 . 2]" 1
853 1 46 LEU QD 1 48 VAL MG2 . . 3.450 3.009 2.752 3.216 . 0 0 "[ . 1 . 2]" 1
854 1 46 LEU QD 1 89 VAL HB . . 4.380 3.757 3.068 3.996 . 0 0 "[ . 1 . 2]" 1
855 1 46 LEU QD 1 89 VAL QG . . 3.340 2.439 1.850 2.874 . 0 0 "[ . 1 . 2]" 1
856 1 46 LEU QD 1 91 TRP HH2 . . 3.890 2.443 1.839 2.878 . 0 0 "[ . 1 . 2]" 1
857 1 46 LEU QD 1 91 TRP HZ2 . . 4.900 3.786 3.183 4.184 . 0 0 "[ . 1 . 2]" 1
858 1 46 LEU QD 1 91 TRP HZ3 . . 3.920 2.182 1.911 2.599 . 0 0 "[ . 1 . 2]" 1
859 1 47 LYS H 1 47 LYS HB3 . . 4.190 3.913 2.932 4.059 . 0 0 "[ . 1 . 2]" 1
860 1 47 LYS H 1 47 LYS QD . . 5.480 2.459 2.265 2.699 . 0 0 "[ . 1 . 2]" 1
861 1 47 LYS H 1 47 LYS QG . . 3.690 2.873 2.626 3.565 . 0 0 "[ . 1 . 2]" 1
862 1 47 LYS H 1 48 VAL MG2 . . 4.700 4.163 3.852 4.378 . 0 0 "[ . 1 . 2]" 1
863 1 47 LYS HA 1 47 LYS QD . . 4.150 3.005 2.072 3.569 . 0 0 "[ . 1 . 2]" 1
864 1 47 LYS HA 1 47 LYS QG . . 3.390 2.744 2.367 3.447 0.057 17 0 "[ . 1 . 2]" 1
865 1 47 LYS HA 1 48 VAL H . . 3.330 2.825 2.655 2.986 . 0 0 "[ . 1 . 2]" 1
866 1 47 LYS HA 1 48 VAL MG2 . . 4.760 4.467 4.333 4.620 . 0 0 "[ . 1 . 2]" 1
867 1 47 LYS HB2 1 47 LYS QD . . 3.910 2.677 2.067 3.434 . 0 0 "[ . 1 . 2]" 1
868 1 47 LYS HB2 1 48 VAL H . . 5.120 4.185 4.019 4.395 . 0 0 "[ . 1 . 2]" 1
869 1 47 LYS HB2 1 48 VAL MG2 . . 4.980 3.875 3.694 4.444 . 0 0 "[ . 1 . 2]" 1
870 1 47 LYS HB3 1 48 VAL H . . 4.860 4.506 4.425 4.655 . 0 0 "[ . 1 . 2]" 1
871 1 48 VAL H 1 48 VAL HB . . 3.660 2.613 2.518 2.737 . 0 0 "[ . 1 . 2]" 1
872 1 48 VAL H 1 48 VAL MG2 . . 3.530 2.757 2.531 3.015 . 0 0 "[ . 1 . 2]" 1
873 1 48 VAL H 1 49 PRO QD . . 5.070 4.310 4.277 4.336 . 0 0 "[ . 1 . 2]" 1
874 1 48 VAL HA 1 48 VAL MG1 . . 3.310 2.446 2.356 2.486 . 0 0 "[ . 1 . 2]" 1
875 1 48 VAL HA 1 48 VAL MG2 . . 3.280 2.317 2.259 2.434 . 0 0 "[ . 1 . 2]" 1
876 1 48 VAL HA 1 49 PRO QD . . 2.930 1.969 1.959 1.974 . 0 0 "[ . 1 . 2]" 1
877 1 48 VAL HA 1 49 PRO HG3 . . 4.610 4.357 4.350 4.361 . 0 0 "[ . 1 . 2]" 1
878 1 48 VAL HB 1 49 PRO QD . . 4.300 3.773 3.731 3.827 . 0 0 "[ . 1 . 2]" 1
879 1 48 VAL HB 1 53 LEU MD1 . . 4.030 2.881 2.623 3.202 . 0 0 "[ . 1 . 2]" 1
880 1 48 VAL HB 1 53 LEU MD2 . . 3.820 2.485 2.018 2.835 . 0 0 "[ . 1 . 2]" 1
881 1 48 VAL HB 1 53 LEU HG . . 4.660 2.735 2.469 2.982 . 0 0 "[ . 1 . 2]" 1
882 1 48 VAL MG1 1 49 PRO QD . . 3.390 1.807 1.795 1.857 . 0 0 "[ . 1 . 2]" 1
883 1 48 VAL MG1 1 49 PRO HG2 . . 4.530 2.956 2.920 3.026 . 0 0 "[ . 1 . 2]" 1
884 1 48 VAL MG1 1 52 GLU H . . 4.510 3.644 3.445 3.875 . 0 0 "[ . 1 . 2]" 1
885 1 48 VAL MG1 1 52 GLU HB2 . . 4.000 2.474 2.210 2.809 . 0 0 "[ . 1 . 2]" 1
886 1 48 VAL MG1 1 52 GLU HB3 . . 4.070 3.320 3.017 3.712 . 0 0 "[ . 1 . 2]" 1
887 1 48 VAL MG1 1 53 LEU H . . 4.760 3.256 2.758 3.737 . 0 0 "[ . 1 . 2]" 1
888 1 48 VAL MG1 1 53 LEU HA . . 4.380 3.117 2.688 3.432 . 0 0 "[ . 1 . 2]" 1
889 1 48 VAL MG1 1 53 LEU HB2 . . 4.910 3.892 3.657 4.094 . 0 0 "[ . 1 . 2]" 1
890 1 48 VAL MG1 1 53 LEU MD1 . . 3.720 3.159 2.904 3.527 . 0 0 "[ . 1 . 2]" 1
891 1 48 VAL MG1 1 53 LEU MD2 . . 3.250 2.292 1.931 2.801 . 0 0 "[ . 1 . 2]" 1
892 1 48 VAL MG1 1 53 LEU HG . . 3.390 2.031 1.835 2.345 . 0 0 "[ . 1 . 2]" 1
893 1 48 VAL MG1 1 91 TRP HB2 . . 3.940 2.587 1.957 3.057 . 0 0 "[ . 1 . 2]" 1
894 1 48 VAL MG1 1 91 TRP HB3 . . 3.850 2.557 2.127 3.041 . 0 0 "[ . 1 . 2]" 1
895 1 48 VAL MG1 1 91 TRP HD1 . . 3.880 3.574 2.939 3.843 . 0 0 "[ . 1 . 2]" 1
896 1 48 VAL MG1 1 91 TRP HE1 . . 5.160 4.556 4.082 4.806 . 0 0 "[ . 1 . 2]" 1
897 1 48 VAL MG1 1 91 TRP HE3 . . 4.760 3.803 3.287 4.295 . 0 0 "[ . 1 . 2]" 1
898 1 48 VAL MG2 1 49 PRO QD . . 4.380 3.249 3.148 3.404 . 0 0 "[ . 1 . 2]" 1
899 1 48 VAL MG2 1 53 LEU MD1 . . 4.450 4.124 3.944 4.420 . 0 0 "[ . 1 . 2]" 1
900 1 48 VAL MG2 1 53 LEU MD2 . . 3.590 3.152 2.952 3.375 . 0 0 "[ . 1 . 2]" 1
901 1 48 VAL MG2 1 53 LEU HG . . 4.160 3.995 3.808 4.227 0.067 5 0 "[ . 1 . 2]" 1
902 1 48 VAL MG2 1 91 TRP HB2 . . 5.040 3.956 3.261 4.458 . 0 0 "[ . 1 . 2]" 1
903 1 48 VAL MG2 1 91 TRP HB3 . . 5.080 3.848 3.157 4.356 . 0 0 "[ . 1 . 2]" 1
904 1 48 VAL MG2 1 91 TRP HD1 . . 4.470 3.869 3.035 4.248 . 0 0 "[ . 1 . 2]" 1
905 1 48 VAL MG2 1 91 TRP HE1 . . 4.530 3.667 2.919 3.984 . 0 0 "[ . 1 . 2]" 1
906 1 48 VAL MG2 1 91 TRP HH2 . . 4.880 4.371 4.006 4.617 . 0 0 "[ . 1 . 2]" 1
907 1 48 VAL MG2 1 91 TRP HZ2 . . 4.340 3.952 3.436 4.130 . 0 0 "[ . 1 . 2]" 1
908 1 48 VAL MG2 1 91 TRP HZ3 . . 5.070 4.340 3.885 4.740 . 0 0 "[ . 1 . 2]" 1
909 1 49 PRO HA 1 50 VAL H . . 2.920 2.160 2.151 2.180 . 0 0 "[ . 1 . 2]" 1
910 1 49 PRO HA 1 50 VAL HB . . 4.420 4.526 4.467 4.599 0.179 20 0 "[ . 1 . 2]" 1
911 1 49 PRO HA 1 50 VAL MG2 . . 3.650 3.943 3.810 4.074 0.424 13 0 "[ . 1 . 2]" 1
912 1 49 PRO HA 1 51 SER H . . 5.120 3.686 3.615 3.835 . 0 0 "[ . 1 . 2]" 1
913 1 49 PRO HB2 1 50 VAL H . . 3.920 3.497 3.337 3.644 . 0 0 "[ . 1 . 2]" 1
914 1 49 PRO HB2 1 51 SER H . . 4.330 2.493 2.376 2.669 . 0 0 "[ . 1 . 2]" 1
915 1 49 PRO HB2 1 52 GLU H . . 4.810 2.888 2.705 3.199 . 0 0 "[ . 1 . 2]" 1
916 1 49 PRO HB3 1 50 VAL H . . 4.270 3.977 3.871 4.077 . 0 0 "[ . 1 . 2]" 1
917 1 49 PRO HB3 1 51 SER H . . 4.120 4.029 3.944 4.129 0.009 12 0 "[ . 1 . 2]" 1
918 1 49 PRO HB3 1 52 GLU H . . 4.220 4.467 4.334 4.803 0.583 17 1 "[ . 1 . + 2]" 1
919 1 49 PRO QD 1 52 GLU H . . 4.970 4.136 3.841 4.487 . 0 0 "[ . 1 . 2]" 1
920 1 49 PRO QD 1 52 GLU HB2 . . 4.580 2.821 2.457 3.228 . 0 0 "[ . 1 . 2]" 1
921 1 49 PRO QD 1 52 GLU HG2 . . 4.580 4.486 3.792 5.351 0.771 20 1 "[ . 1 . +]" 1
922 1 49 PRO HG3 1 52 GLU HG3 . . 4.550 3.176 2.703 3.939 . 0 0 "[ . 1 . 2]" 1
923 1 50 VAL H 1 50 VAL HB . . 3.170 2.462 2.401 2.530 . 0 0 "[ . 1 . 2]" 1
924 1 50 VAL H 1 50 VAL MG2 . . 3.140 2.310 2.146 2.480 . 0 0 "[ . 1 . 2]" 1
925 1 50 VAL H 1 51 SER H . . 3.800 2.785 2.674 2.882 . 0 0 "[ . 1 . 2]" 1
926 1 50 VAL HA 1 50 VAL MG1 . . 3.280 2.502 2.424 2.541 . 0 0 "[ . 1 . 2]" 1
927 1 50 VAL HA 1 50 VAL MG2 . . 2.890 2.273 2.125 2.345 . 0 0 "[ . 1 . 2]" 1
928 1 50 VAL HA 1 52 GLU H . . 4.470 4.235 3.641 4.449 . 0 0 "[ . 1 . 2]" 1
929 1 50 VAL HA 1 53 LEU H . . 4.170 3.247 2.937 3.560 . 0 0 "[ . 1 . 2]" 1
930 1 50 VAL HA 1 53 LEU HB2 . . 3.940 2.051 1.997 2.114 . 0 0 "[ . 1 . 2]" 1
931 1 50 VAL HA 1 53 LEU HB3 . . 4.390 3.561 3.468 3.722 . 0 0 "[ . 1 . 2]" 1
932 1 50 VAL HA 1 53 LEU MD1 . . 3.300 2.163 1.967 2.594 . 0 0 "[ . 1 . 2]" 1
933 1 50 VAL HA 1 53 LEU MD2 . . 4.580 4.380 4.218 4.630 0.050 18 0 "[ . 1 . 2]" 1
934 1 50 VAL HA 1 53 LEU HG . . 4.260 3.414 3.033 3.610 . 0 0 "[ . 1 . 2]" 1
935 1 50 VAL HB 1 51 SER H . . 3.760 3.050 2.947 3.179 . 0 0 "[ . 1 . 2]" 1
936 1 50 VAL MG1 1 51 SER H . . 3.540 3.506 3.404 3.602 0.062 7 0 "[ . 1 . 2]" 1
937 1 50 VAL MG1 1 51 SER HA . . 3.740 3.321 3.241 3.474 . 0 0 "[ . 1 . 2]" 1
938 1 50 VAL MG1 1 51 SER HB2 . . 4.690 4.911 4.466 5.426 0.736 17 4 "[ . * *1 - + 2]" 1
939 1 50 VAL MG1 1 52 GLU H . . 5.320 4.894 4.428 5.079 . 0 0 "[ . 1 . 2]" 1
940 1 50 VAL MG1 1 53 LEU H . . 5.070 4.373 4.167 4.709 . 0 0 "[ . 1 . 2]" 1
941 1 51 SER H 1 51 SER HB2 . . 3.530 2.566 2.182 3.596 0.066 9 0 "[ . 1 . 2]" 1
942 1 51 SER H 1 51 SER HB3 . . 3.810 3.020 2.322 3.539 . 0 0 "[ . 1 . 2]" 1
943 1 51 SER H 1 52 GLU H . . 3.660 2.610 2.499 2.721 . 0 0 "[ . 1 . 2]" 1
944 1 51 SER H 1 52 GLU HG2 . . 5.130 5.182 4.381 6.098 0.968 13 9 "[* .* -*1**+ . * *]" 1
945 1 51 SER H 1 53 LEU H . . 4.960 3.802 3.650 4.095 . 0 0 "[ . 1 . 2]" 1
946 1 51 SER HB2 1 52 GLU H . . 4.860 3.367 2.718 4.110 . 0 0 "[ . 1 . 2]" 1
947 1 51 SER HB3 1 52 GLU H . . 4.740 3.249 2.456 4.080 . 0 0 "[ . 1 . 2]" 1
948 1 52 GLU H 1 52 GLU HB2 . . 3.370 2.439 2.349 2.510 . 0 0 "[ . 1 . 2]" 1
949 1 52 GLU H 1 52 GLU HB3 . . 4.010 3.626 3.587 3.694 . 0 0 "[ . 1 . 2]" 1
950 1 52 GLU H 1 52 GLU HG2 . . 3.760 3.064 2.352 3.958 0.198 12 0 "[ . 1 . 2]" 1
951 1 52 GLU H 1 52 GLU HG3 . . 3.970 3.285 2.291 4.000 0.030 14 0 "[ . 1 . 2]" 1
952 1 52 GLU H 1 53 LEU H . . 3.150 2.338 2.021 2.602 . 0 0 "[ . 1 . 2]" 1
953 1 52 GLU HA 1 52 GLU HG2 . . 3.740 2.759 2.310 3.194 . 0 0 "[ . 1 . 2]" 1
954 1 52 GLU HA 1 52 GLU HG3 . . 3.720 3.455 2.980 3.790 0.070 15 0 "[ . 1 . 2]" 1
955 1 52 GLU HB2 1 53 LEU H . . 4.260 3.135 2.582 3.847 . 0 0 "[ . 1 . 2]" 1
956 1 52 GLU HB2 1 91 TRP HB2 . . 4.750 3.381 2.931 3.896 . 0 0 "[ . 1 . 2]" 1
957 1 52 GLU HB3 1 53 LEU H . . 4.880 3.976 3.553 4.395 . 0 0 "[ . 1 . 2]" 1
958 1 52 GLU HB3 1 91 TRP HA . . 5.060 3.997 3.163 4.621 . 0 0 "[ . 1 . 2]" 1
959 1 52 GLU HB3 1 91 TRP HB2 . . 4.320 2.711 2.233 3.021 . 0 0 "[ . 1 . 2]" 1
960 1 52 GLU HB3 1 92 SER H . . 4.630 2.894 1.907 3.885 . 0 0 "[ . 1 . 2]" 1
961 1 53 LEU H 1 53 LEU HB2 . . 3.340 2.261 2.184 2.351 . 0 0 "[ . 1 . 2]" 1
962 1 53 LEU H 1 53 LEU HB3 . . 3.790 3.534 3.495 3.578 . 0 0 "[ . 1 . 2]" 1
963 1 53 LEU H 1 53 LEU MD1 . . 4.240 3.721 3.500 4.139 . 0 0 "[ . 1 . 2]" 1
964 1 53 LEU H 1 54 LEU H . . 4.970 4.427 4.028 4.639 . 0 0 "[ . 1 . 2]" 1
965 1 53 LEU HA 1 53 LEU MD1 . . 4.630 3.830 3.778 3.866 . 0 0 "[ . 1 . 2]" 1
966 1 53 LEU HA 1 53 LEU MD2 . . 3.130 2.112 1.973 2.257 . 0 0 "[ . 1 . 2]" 1
967 1 53 LEU HA 1 53 LEU HG . . 4.250 2.790 2.674 2.928 . 0 0 "[ . 1 . 2]" 1
968 1 53 LEU HA 1 54 LEU H . . 3.010 2.188 2.140 2.273 . 0 0 "[ . 1 . 2]" 1
969 1 53 LEU HA 1 91 TRP HA . . 4.000 3.224 2.707 3.648 . 0 0 "[ . 1 . 2]" 1
970 1 53 LEU HA 1 91 TRP HB2 . . 4.240 3.284 2.947 3.706 . 0 0 "[ . 1 . 2]" 1
971 1 53 LEU HA 1 91 TRP HB3 . . 4.250 2.362 2.035 2.765 . 0 0 "[ . 1 . 2]" 1
972 1 53 LEU HB2 1 53 LEU MD1 . . 3.430 2.269 2.136 2.428 . 0 0 "[ . 1 . 2]" 1
973 1 53 LEU HB2 1 53 LEU MD2 . . 3.540 3.183 3.169 3.194 . 0 0 "[ . 1 . 2]" 1
974 1 53 LEU HB2 1 54 LEU H . . 4.670 4.371 4.074 4.579 . 0 0 "[ . 1 . 2]" 1
975 1 53 LEU HB3 1 53 LEU MD1 . . 3.520 2.408 2.203 2.524 . 0 0 "[ . 1 . 2]" 1
976 1 53 LEU HB3 1 53 LEU MD2 . . 3.640 2.271 2.172 2.368 . 0 0 "[ . 1 . 2]" 1
977 1 53 LEU HB3 1 54 LEU H . . 4.190 3.439 2.816 3.991 . 0 0 "[ . 1 . 2]" 1
978 1 53 LEU MD2 1 54 LEU H . . 3.870 3.265 2.825 3.788 . 0 0 "[ . 1 . 2]" 1
979 1 53 LEU MD2 1 91 TRP HA . . 4.280 4.195 3.781 4.475 0.195 9 0 "[ . 1 . 2]" 1
980 1 53 LEU MD2 1 91 TRP HB2 . . 4.070 3.621 3.294 4.007 . 0 0 "[ . 1 . 2]" 1
981 1 53 LEU MD2 1 91 TRP HB3 . . 3.590 2.310 1.984 2.598 . 0 0 "[ . 1 . 2]" 1
982 1 53 LEU MD2 1 91 TRP HE3 . . 3.500 2.547 1.934 3.121 . 0 0 "[ . 1 . 2]" 1
983 1 53 LEU MD2 1 91 TRP HZ3 . . 4.610 3.905 3.385 4.535 . 0 0 "[ . 1 . 2]" 1
984 1 53 LEU HG 1 91 TRP HB3 . . 5.050 3.765 3.235 4.170 . 0 0 "[ . 1 . 2]" 1
985 1 54 LEU H 1 54 LEU HB2 . . 3.430 2.634 2.276 2.907 . 0 0 "[ . 1 . 2]" 1
986 1 54 LEU H 1 54 LEU HB3 . . 3.790 3.733 3.551 3.912 0.122 18 0 "[ . 1 . 2]" 1
987 1 54 LEU H 1 54 LEU QD . . 3.750 3.238 1.732 3.818 0.068 10 0 "[ . 1 . 2]" 1
988 1 54 LEU H 1 54 LEU HG . . 3.920 3.161 2.500 3.820 . 0 0 "[ . 1 . 2]" 1
989 1 54 LEU H 1 89 VAL QG . . 4.350 3.938 2.931 4.324 . 0 0 "[ . 1 . 2]" 1
990 1 54 LEU H 1 90 ARG H . . 3.960 3.349 2.393 3.751 . 0 0 "[ . 1 . 2]" 1
991 1 54 LEU H 1 91 TRP HA . . 4.270 3.035 2.301 3.769 . 0 0 "[ . 1 . 2]" 1
992 1 54 LEU H 1 91 TRP HB3 . . 4.470 3.416 3.024 4.000 . 0 0 "[ . 1 . 2]" 1
993 1 54 LEU HA 1 55 LEU H . . 2.980 2.161 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
994 1 54 LEU HA 1 55 LEU HB2 . . 4.830 4.284 4.247 4.356 . 0 0 "[ . 1 . 2]" 1
995 1 54 LEU HA 1 55 LEU HB3 . . 5.150 5.581 5.563 5.618 0.468 20 0 "[ . 1 . 2]" 1
996 1 54 LEU HB3 1 54 LEU QD . . 3.190 2.115 2.014 2.362 . 0 0 "[ . 1 . 2]" 1
997 1 54 LEU QD 1 90 ARG HB3 . . 4.670 3.911 2.502 5.601 0.931 3 3 "[ + .- * . 2]" 1
998 1 54 LEU QD 1 90 ARG HD2 . . 4.950 4.376 2.176 5.690 0.740 2 3 "[ + . * 1 . - 2]" 1
999 1 54 LEU QD 1 90 ARG HD3 . . 4.900 4.061 2.355 5.426 0.526 6 1 "[ .+ 1 . 2]" 1
1000 1 54 LEU QD 1 90 ARG QG . . 4.910 3.795 2.922 4.644 . 0 0 "[ . 1 . 2]" 1
1001 1 54 LEU QD 1 91 TRP H . . 5.200 4.418 3.144 4.901 . 0 0 "[ . 1 . 2]" 1
1002 1 54 LEU QD 1 91 TRP HA . . 4.190 2.887 1.863 3.679 . 0 0 "[ . 1 . 2]" 1
1003 1 54 LEU QD 1 92 SER H . . 5.180 3.245 2.590 3.960 . 0 0 "[ . 1 . 2]" 1
1004 1 54 LEU QD 1 92 SER HA . . 4.860 4.634 4.193 4.873 0.013 12 0 "[ . 1 . 2]" 1
1005 1 54 LEU QD 1 92 SER QB . . 4.090 3.083 2.099 3.558 . 0 0 "[ . 1 . 2]" 1
1006 1 54 LEU HG 1 91 TRP HA . . 4.180 3.437 2.322 4.470 0.290 15 0 "[ . 1 . 2]" 1
1007 1 54 LEU HG 1 92 SER QB . . 5.010 4.716 3.676 4.893 . 0 0 "[ . 1 . 2]" 1
1008 1 55 LEU H 1 55 LEU HB2 . . 3.510 2.176 2.156 2.200 . 0 0 "[ . 1 . 2]" 1
1009 1 55 LEU H 1 55 LEU HB3 . . 3.530 3.444 3.429 3.450 . 0 0 "[ . 1 . 2]" 1
1010 1 55 LEU H 1 55 LEU HG . . 4.300 4.275 4.123 4.359 0.059 11 0 "[ . 1 . 2]" 1
1011 1 55 LEU HA 1 55 LEU QD . . 3.350 2.081 1.916 2.354 . 0 0 "[ . 1 . 2]" 1
1012 1 55 LEU HA 1 56 SER H . . 2.980 2.170 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
1013 1 55 LEU HA 1 69 LEU QD . . 5.130 4.075 3.715 4.225 . 0 0 "[ . 1 . 2]" 1
1014 1 55 LEU HA 1 89 VAL HA . . 3.700 2.898 2.608 3.053 . 0 0 "[ . 1 . 2]" 1
1015 1 55 LEU HA 1 89 VAL QG . . 4.700 3.584 3.230 3.886 . 0 0 "[ . 1 . 2]" 1
1016 1 55 LEU HA 1 90 ARG H . . 4.290 3.532 3.203 4.104 . 0 0 "[ . 1 . 2]" 1
1017 1 55 LEU HB2 1 56 SER H . . 4.510 4.357 4.252 4.491 . 0 0 "[ . 1 . 2]" 1
1018 1 55 LEU HB2 1 69 LEU H . . 5.200 4.657 4.399 4.928 . 0 0 "[ . 1 . 2]" 1
1019 1 55 LEU HB2 1 69 LEU QD . . 4.140 2.622 2.300 2.908 . 0 0 "[ . 1 . 2]" 1
1020 1 55 LEU HB2 1 89 VAL HA . . 5.240 5.447 5.053 5.503 0.263 7 0 "[ . 1 . 2]" 1
1021 1 55 LEU HB3 1 89 VAL HA . . 5.040 5.210 4.690 5.381 0.341 5 0 "[ . 1 . 2]" 1
1022 1 55 LEU QD 1 56 SER H . . 3.890 3.200 2.533 3.939 0.049 19 0 "[ . 1 . 2]" 1
1023 1 55 LEU QD 1 87 LEU QB . . 3.650 3.368 2.718 4.379 0.729 19 5 "[ . -*1* * . +2]" 1
1024 1 55 LEU QD 1 88 LEU H . . 4.660 4.086 3.136 5.224 0.564 19 2 "[ . 1 . +-]" 1
1025 1 55 LEU HG 1 56 SER H . . 3.930 4.525 3.594 5.229 1.299 10 12 "[***** * + * ** *- 2]" 1
1026 1 55 LEU HG 1 69 LEU QD . . 4.140 3.718 3.385 4.012 . 0 0 "[ . 1 . 2]" 1
1027 1 56 SER H 1 57 TYR H . . 5.180 4.141 4.084 4.250 . 0 0 "[ . 1 . 2]" 1
1028 1 56 SER H 1 69 LEU H . . 5.050 4.796 4.636 4.926 . 0 0 "[ . 1 . 2]" 1
1029 1 56 SER H 1 69 LEU QD . . 4.520 3.948 3.487 4.180 . 0 0 "[ . 1 . 2]" 1
1030 1 56 SER H 1 88 LEU HB2 . . 4.330 3.067 2.843 3.249 . 0 0 "[ . 1 . 2]" 1
1031 1 56 SER H 1 88 LEU HB3 . . 4.810 4.483 4.319 4.573 . 0 0 "[ . 1 . 2]" 1
1032 1 56 SER HA 1 57 TYR H . . 3.490 2.139 2.138 2.144 . 0 0 "[ . 1 . 2]" 1
1033 1 56 SER HA 1 57 TYR QD . . 4.890 3.815 3.727 3.975 . 0 0 "[ . 1 . 2]" 1
1034 1 56 SER HA 1 67 ILE H . . 5.240 4.186 3.834 4.491 . 0 0 "[ . 1 . 2]" 1
1035 1 56 SER HA 1 68 GLU H . . 4.900 4.838 4.553 4.956 0.056 17 0 "[ . 1 . 2]" 1
1036 1 56 SER HA 1 68 GLU HA . . 3.310 2.860 2.654 2.975 . 0 0 "[ . 1 . 2]" 1
1037 1 56 SER HA 1 69 LEU H . . 3.460 2.811 2.585 2.944 . 0 0 "[ . 1 . 2]" 1
1038 1 56 SER HA 1 69 LEU QD . . 3.780 3.161 2.877 3.298 . 0 0 "[ . 1 . 2]" 1
1039 1 56 SER HA 1 69 LEU HG . . 3.820 2.595 2.379 2.786 . 0 0 "[ . 1 . 2]" 1
1040 1 56 SER QB 1 57 TYR H . . 3.320 3.327 3.238 3.386 0.066 12 0 "[ . 1 . 2]" 1
1041 1 56 SER QB 1 57 TYR QD . . 4.950 4.875 4.676 5.066 0.116 16 0 "[ . 1 . 2]" 1
1042 1 56 SER QB 1 66 GLU QB . . 3.630 2.213 2.055 2.391 . 0 0 "[ . 1 . 2]" 1
1043 1 56 SER QB 1 66 GLU HG2 . . 4.710 3.690 2.649 4.719 0.009 13 0 "[ . 1 . 2]" 1
1044 1 56 SER QB 1 66 GLU HG3 . . 5.050 3.513 2.419 4.933 . 0 0 "[ . 1 . 2]" 1
1045 1 56 SER QB 1 67 ILE H . . 4.400 3.438 3.091 3.844 . 0 0 "[ . 1 . 2]" 1
1046 1 56 SER QB 1 67 ILE HB . . 5.500 4.908 4.673 5.084 . 0 0 "[ . 1 . 2]" 1
1047 1 56 SER QB 1 68 GLU HA . . 3.420 2.223 2.020 2.450 . 0 0 "[ . 1 . 2]" 1
1048 1 56 SER QB 1 68 GLU QB . . 4.670 3.390 3.018 3.978 . 0 0 "[ . 1 . 2]" 1
1049 1 56 SER QB 1 68 GLU QG . . 4.950 4.071 2.412 4.913 . 0 0 "[ . 1 . 2]" 1
1050 1 56 SER QB 1 69 LEU H . . 4.160 3.507 3.316 3.769 . 0 0 "[ . 1 . 2]" 1
1051 1 56 SER QB 1 69 LEU HG . . 4.640 4.225 4.026 4.419 . 0 0 "[ . 1 . 2]" 1
1052 1 56 SER QB 1 88 LEU HB2 . . 4.680 3.328 2.957 3.668 . 0 0 "[ . 1 . 2]" 1
1053 1 56 SER QB 1 88 LEU QD . . 4.290 2.828 2.458 3.193 . 0 0 "[ . 1 . 2]" 1
1054 1 57 TYR H 1 57 TYR QD . . 3.610 2.128 1.997 2.307 . 0 0 "[ . 1 . 2]" 1
1055 1 57 TYR H 1 58 GLU H . . 4.930 4.542 4.494 4.559 . 0 0 "[ . 1 . 2]" 1
1056 1 57 TYR H 1 66 GLU HA . . 4.760 5.042 4.706 5.262 0.502 16 1 "[ . 1 .+ 2]" 1
1057 1 57 TYR H 1 66 GLU QB . . 4.770 4.324 3.958 4.519 . 0 0 "[ . 1 . 2]" 1
1058 1 57 TYR H 1 67 ILE H . . 3.700 3.362 2.945 3.521 . 0 0 "[ . 1 . 2]" 1
1059 1 57 TYR H 1 67 ILE HB . . 4.350 3.585 3.390 3.789 . 0 0 "[ . 1 . 2]" 1
1060 1 57 TYR H 1 67 ILE MG . . 4.660 4.391 4.042 4.566 . 0 0 "[ . 1 . 2]" 1
1061 1 57 TYR H 1 68 GLU HA . . 4.560 4.578 4.378 4.656 0.096 12 0 "[ . 1 . 2]" 1
1062 1 57 TYR H 1 69 LEU H . . 4.760 4.355 4.119 4.516 . 0 0 "[ . 1 . 2]" 1
1063 1 57 TYR H 1 69 LEU QD . . 4.520 2.958 2.796 3.133 . 0 0 "[ . 1 . 2]" 1
1064 1 57 TYR H 1 69 LEU HG . . 4.440 3.197 3.034 3.330 . 0 0 "[ . 1 . 2]" 1
1065 1 57 TYR H 1 88 LEU QD . . 4.780 4.447 4.241 4.700 . 0 0 "[ . 1 . 2]" 1
1066 1 57 TYR HA 1 57 TYR QD . . 4.030 3.698 3.678 3.706 . 0 0 "[ . 1 . 2]" 1
1067 1 57 TYR HA 1 58 GLU H . . 3.150 2.225 2.162 2.269 . 0 0 "[ . 1 . 2]" 1
1068 1 57 TYR HA 1 69 LEU QD . . 4.970 4.502 4.310 4.602 . 0 0 "[ . 1 . 2]" 1
1069 1 57 TYR HA 1 87 LEU HA . . 3.570 2.779 2.495 2.995 . 0 0 "[ . 1 . 2]" 1
1070 1 57 TYR HA 1 87 LEU MD2 . . 4.030 3.202 2.866 3.459 . 0 0 "[ . 1 . 2]" 1
1071 1 57 TYR HA 1 88 LEU H . . 3.710 3.086 2.812 3.320 . 0 0 "[ . 1 . 2]" 1
1072 1 57 TYR HA 1 88 LEU HB2 . . 4.480 4.438 4.270 4.712 0.232 6 0 "[ . 1 . 2]" 1
1073 1 57 TYR HA 1 88 LEU QD . . 3.850 3.510 3.257 3.788 . 0 0 "[ . 1 . 2]" 1
1074 1 57 TYR HA 1 88 LEU HG . . 4.000 3.651 3.451 3.838 . 0 0 "[ . 1 . 2]" 1
1075 1 57 TYR QB 1 58 GLU H . . 3.670 2.993 2.864 3.219 . 0 0 "[ . 1 . 2]" 1
1076 1 57 TYR QB 1 69 LEU QD . . 3.750 2.877 2.676 2.984 . 0 0 "[ . 1 . 2]" 1
1077 1 57 TYR QB 1 81 VAL MG1 . . 4.530 3.152 2.791 3.508 . 0 0 "[ . 1 . 2]" 1
1078 1 57 TYR QB 1 81 VAL MG2 . . 4.250 2.705 2.424 3.010 . 0 0 "[ . 1 . 2]" 1
1079 1 57 TYR QB 1 87 LEU HA . . 4.160 3.459 3.183 3.646 . 0 0 "[ . 1 . 2]" 1
1080 1 57 TYR QB 1 87 LEU MD2 . . 3.380 2.565 2.257 2.820 . 0 0 "[ . 1 . 2]" 1
1081 1 57 TYR QB 1 88 LEU H . . 4.850 4.341 4.127 4.440 . 0 0 "[ . 1 . 2]" 1
1082 1 57 TYR QB 1 88 LEU QD . . 4.420 4.754 4.592 4.970 0.550 15 2 "[ . 1 -+ 2]" 1
1083 1 57 TYR QD 1 58 GLU H . . 3.700 3.574 3.329 3.714 0.014 5 0 "[ . 1 . 2]" 1
1084 1 57 TYR QD 1 58 GLU HA . . 4.810 4.397 4.183 4.566 . 0 0 "[ . 1 . 2]" 1
1085 1 57 TYR QD 1 59 SER H . . 4.810 4.310 3.957 4.535 . 0 0 "[ . 1 . 2]" 1
1086 1 57 TYR QD 1 59 SER HA . . 4.490 3.569 3.347 3.736 . 0 0 "[ . 1 . 2]" 1
1087 1 57 TYR QD 1 59 SER QB . . 4.570 4.527 4.013 4.936 0.366 7 0 "[ . 1 . 2]" 1
1088 1 57 TYR QD 1 67 ILE H . . 4.620 3.755 3.559 4.105 . 0 0 "[ . 1 . 2]" 1
1089 1 57 TYR QD 1 67 ILE HB . . 3.660 2.596 2.394 2.787 . 0 0 "[ . 1 . 2]" 1
1090 1 57 TYR QD 1 67 ILE MD . . 3.680 3.532 3.336 3.798 0.118 5 0 "[ . 1 . 2]" 1
1091 1 57 TYR QD 1 67 ILE MG . . 3.780 3.393 2.953 3.576 . 0 0 "[ . 1 . 2]" 1
1092 1 57 TYR QD 1 69 LEU QD . . 3.090 2.215 1.985 2.532 . 0 0 "[ . 1 . 2]" 1
1093 1 57 TYR QD 1 69 LEU HG . . 3.760 3.471 3.301 3.570 . 0 0 "[ . 1 . 2]" 1
1094 1 57 TYR QD 1 79 TYR HB2 . . 5.060 4.457 4.112 4.800 . 0 0 "[ . 1 . 2]" 1
1095 1 57 TYR QD 1 79 TYR QD . . 4.810 4.353 4.019 4.690 . 0 0 "[ . 1 . 2]" 1
1096 1 57 TYR QD 1 81 VAL HA . . 4.210 3.739 3.455 3.998 . 0 0 "[ . 1 . 2]" 1
1097 1 57 TYR QD 1 81 VAL MG1 . . 3.710 3.384 3.132 3.739 0.029 12 0 "[ . 1 . 2]" 1
1098 1 57 TYR QD 1 81 VAL MG2 . . 3.380 2.839 2.619 3.042 . 0 0 "[ . 1 . 2]" 1
1099 1 57 TYR QD 1 85 ASP QB . . 3.540 2.580 2.228 3.356 . 0 0 "[ . 1 . 2]" 1
1100 1 57 TYR QD 1 86 CYS H . . 4.260 4.005 3.687 4.271 0.011 17 0 "[ . 1 . 2]" 1
1101 1 57 TYR QD 1 87 LEU HA . . 4.610 5.431 5.173 5.633 1.023 17 20 [****************+**-] 1
1102 1 57 TYR QD 1 87 LEU MD2 . . 4.120 4.345 4.029 4.620 0.500 17 1 "[ . 1 . + 2]" 1
1103 1 57 TYR QE 1 59 SER H . . 4.890 4.129 3.775 4.393 . 0 0 "[ . 1 . 2]" 1
1104 1 57 TYR QE 1 59 SER HA . . 4.150 3.000 2.560 3.442 . 0 0 "[ . 1 . 2]" 1
1105 1 57 TYR QE 1 59 SER QB . . 3.900 3.184 2.474 3.594 . 0 0 "[ . 1 . 2]" 1
1106 1 57 TYR QE 1 67 ILE HB . . 3.440 2.152 2.000 2.461 . 0 0 "[ . 1 . 2]" 1
1107 1 57 TYR QE 1 67 ILE MD . . 3.510 2.774 2.454 3.027 . 0 0 "[ . 1 . 2]" 1
1108 1 57 TYR QE 1 67 ILE HG12 . . 4.990 3.119 2.801 3.423 . 0 0 "[ . 1 . 2]" 1
1109 1 57 TYR QE 1 67 ILE HG13 . . 4.700 4.339 4.094 4.624 . 0 0 "[ . 1 . 2]" 1
1110 1 57 TYR QE 1 67 ILE MG . . 3.080 2.445 2.233 2.802 . 0 0 "[ . 1 . 2]" 1
1111 1 57 TYR QE 1 69 LEU QD . . 3.400 3.051 2.822 3.276 . 0 0 "[ . 1 . 2]" 1
1112 1 57 TYR QE 1 69 LEU HG . . 4.090 5.097 4.833 5.242 1.152 5 20 [****+***-***********] 1
1113 1 57 TYR QE 1 79 TYR HA . . 4.980 4.394 4.081 4.695 . 0 0 "[ . 1 . 2]" 1
1114 1 57 TYR QE 1 79 TYR HB2 . . 4.240 4.021 3.724 4.265 0.025 7 0 "[ . 1 . 2]" 1
1115 1 57 TYR QE 1 79 TYR HB3 . . 3.680 2.475 2.245 2.732 . 0 0 "[ . 1 . 2]" 1
1116 1 57 TYR QE 1 79 TYR QD . . 4.440 3.081 2.470 3.602 . 0 0 "[ . 1 . 2]" 1
1117 1 57 TYR QE 1 81 VAL HA . . 3.610 3.287 3.097 3.432 . 0 0 "[ . 1 . 2]" 1
1118 1 57 TYR QE 1 82 GLU H . . 4.050 4.483 4.256 4.570 0.520 20 6 "[* . - *1 * *+]" 1
1119 1 57 TYR QE 1 85 ASP QB . . 4.000 4.098 3.652 4.609 0.609 1 1 "[+ . 1 . 2]" 1
1120 1 58 GLU H 1 58 GLU HB2 . . 3.840 2.705 2.546 2.856 . 0 0 "[ . 1 . 2]" 1
1121 1 58 GLU H 1 58 GLU HB3 . . 3.930 2.707 2.567 2.905 . 0 0 "[ . 1 . 2]" 1
1122 1 58 GLU H 1 58 GLU QG . . 4.730 4.056 4.022 4.109 . 0 0 "[ . 1 . 2]" 1
1123 1 58 GLU H 1 86 CYS H . . 4.190 2.986 2.661 3.254 . 0 0 "[ . 1 . 2]" 1
1124 1 58 GLU H 1 86 CYS QB . . 4.350 3.191 2.833 3.393 . 0 0 "[ . 1 . 2]" 1
1125 1 58 GLU H 1 87 LEU HA . . 4.620 4.164 3.899 4.381 . 0 0 "[ . 1 . 2]" 1
1126 1 58 GLU H 1 87 LEU MD2 . . 4.580 4.612 4.155 4.902 0.322 3 0 "[ . 1 . 2]" 1
1127 1 58 GLU H 1 88 LEU QD . . 4.060 3.455 3.108 3.787 . 0 0 "[ . 1 . 2]" 1
1128 1 58 GLU H 1 88 LEU HG . . 4.640 3.933 3.723 4.196 . 0 0 "[ . 1 . 2]" 1
1129 1 58 GLU HA 1 59 SER H . . 3.050 2.144 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
1130 1 58 GLU HA 1 67 ILE MD . . 4.420 3.291 2.959 3.617 . 0 0 "[ . 1 . 2]" 1
1131 1 58 GLU HB2 1 59 SER H . . 4.500 4.427 4.304 4.555 0.055 17 0 "[ . 1 . 2]" 1
1132 1 58 GLU HB2 1 86 CYS H . . 5.280 4.758 4.456 5.216 . 0 0 "[ . 1 . 2]" 1
1133 1 58 GLU HB2 1 88 LEU QD . . 5.100 2.333 2.077 2.705 . 0 0 "[ . 1 . 2]" 1
1134 1 58 GLU HB3 1 59 SER H . . 4.510 4.172 4.035 4.310 . 0 0 "[ . 1 . 2]" 1
1135 1 58 GLU HB3 1 86 CYS H . . 4.970 3.593 3.279 3.991 . 0 0 "[ . 1 . 2]" 1
1136 1 58 GLU HB3 1 86 CYS QB . . 3.950 2.657 2.311 2.947 . 0 0 "[ . 1 . 2]" 1
1137 1 58 GLU HB3 1 88 LEU QD . . 5.140 3.613 3.358 3.848 . 0 0 "[ . 1 . 2]" 1
1138 1 58 GLU QG 1 59 SER H . . 4.490 2.960 2.649 3.375 . 0 0 "[ . 1 . 2]" 1
1139 1 58 GLU QG 1 64 GLY H . . 4.700 3.009 2.320 3.745 . 0 0 "[ . 1 . 2]" 1
1140 1 58 GLU QG 1 65 ARG H . . 4.230 3.061 2.369 3.568 . 0 0 "[ . 1 . 2]" 1
1141 1 58 GLU QG 1 67 ILE MD . . 4.550 4.404 4.024 4.764 0.214 8 0 "[ . 1 . 2]" 1
1142 1 58 GLU QG 1 86 CYS QB . . 4.620 4.560 4.300 4.702 0.082 17 0 "[ . 1 . 2]" 1
1143 1 58 GLU QG 1 88 LEU QD . . 3.740 3.553 3.315 3.871 0.131 6 0 "[ . 1 . 2]" 1
1144 1 59 SER H 1 59 SER QB . . 3.360 2.440 2.142 2.761 . 0 0 "[ . 1 . 2]" 1
1145 1 59 SER H 1 62 MET H . . 4.980 4.792 4.470 4.976 . 0 0 "[ . 1 . 2]" 1
1146 1 59 SER H 1 67 ILE MD . . 4.590 2.967 2.562 3.439 . 0 0 "[ . 1 . 2]" 1
1147 1 59 SER HA 1 60 SER H . . 3.230 2.201 2.137 2.541 . 0 0 "[ . 1 . 2]" 1
1148 1 59 SER HA 1 60 SER QB . . 4.870 4.281 4.058 4.596 . 0 0 "[ . 1 . 2]" 1
1149 1 59 SER HA 1 61 LYS H . . 4.670 4.098 3.669 4.435 . 0 0 "[ . 1 . 2]" 1
1150 1 59 SER HA 1 62 MET H . . 5.150 4.476 4.126 4.898 . 0 0 "[ . 1 . 2]" 1
1151 1 59 SER HA 1 86 CYS H . . 4.930 4.949 4.262 5.371 0.441 18 0 "[ . 1 . 2]" 1
1152 1 59 SER QB 1 60 SER H . . 5.090 3.308 2.749 3.788 . 0 0 "[ . 1 . 2]" 1
1153 1 59 SER QB 1 61 LYS H . . 4.560 3.333 2.124 4.099 . 0 0 "[ . 1 . 2]" 1
1154 1 59 SER QB 1 61 LYS QD . . 4.840 3.826 2.003 4.797 . 0 0 "[ . 1 . 2]" 1
1155 1 59 SER QB 1 62 MET H . . 3.870 2.624 2.134 3.045 . 0 0 "[ . 1 . 2]" 1
1156 1 59 SER QB 1 62 MET QB . . 4.150 2.972 2.089 3.735 . 0 0 "[ . 1 . 2]" 1
1157 1 59 SER QB 1 67 ILE MD . . 4.420 3.038 2.579 3.766 . 0 0 "[ . 1 . 2]" 1
1158 1 60 SER H 1 60 SER QB . . 3.510 2.445 2.148 2.882 . 0 0 "[ . 1 . 2]" 1
1159 1 60 SER H 1 61 LYS H . . 3.790 2.726 2.105 3.157 . 0 0 "[ . 1 . 2]" 1
1160 1 60 SER H 1 61 LYS QB . . 5.500 4.792 4.390 5.128 . 0 0 "[ . 1 . 2]" 1
1161 1 60 SER H 1 61 LYS QE . . 5.070 5.596 3.262 7.545 2.475 18 10 "[ -* * ** * * *+*2]" 1
1162 1 60 SER H 1 62 MET H . . 4.960 4.099 3.714 4.491 . 0 0 "[ . 1 . 2]" 1
1163 1 60 SER HA 1 60 SER QB . . 2.780 2.300 2.172 2.472 . 0 0 "[ . 1 . 2]" 1
1164 1 60 SER QB 1 61 LYS H . . 4.140 2.883 2.058 3.876 . 0 0 "[ . 1 . 2]" 1
1165 1 61 LYS H 1 61 LYS QB . . 3.320 2.545 2.261 2.945 . 0 0 "[ . 1 . 2]" 1
1166 1 61 LYS H 1 61 LYS QD . . 4.380 3.655 1.843 4.256 . 0 0 "[ . 1 . 2]" 1
1167 1 61 LYS H 1 61 LYS QG . . 3.490 2.203 1.881 2.620 . 0 0 "[ . 1 . 2]" 1
1168 1 61 LYS H 1 62 MET H . . 3.160 2.632 1.905 2.995 . 0 0 "[ . 1 . 2]" 1
1169 1 61 LYS H 1 63 PRO HD3 . . 5.200 4.882 4.216 5.184 . 0 0 "[ . 1 . 2]" 1
1170 1 61 LYS HA 1 61 LYS QD . . 4.210 4.091 3.510 4.417 0.207 20 0 "[ . 1 . 2]" 1
1171 1 61 LYS HA 1 61 LYS QG . . 3.300 3.149 2.371 3.439 0.139 13 0 "[ . 1 . 2]" 1
1172 1 61 LYS HA 1 63 PRO HD3 . . 4.200 3.852 3.311 4.023 . 0 0 "[ . 1 . 2]" 1
1173 1 61 LYS QB 1 62 MET H . . 3.940 3.275 2.379 3.680 . 0 0 "[ . 1 . 2]" 1
1174 1 61 LYS QD 1 62 MET QB . . 4.530 3.900 1.867 5.002 0.472 18 0 "[ . 1 . 2]" 1
1175 1 61 LYS QE 1 61 LYS QG . . 3.300 2.223 2.040 2.678 . 0 0 "[ . 1 . 2]" 1
1176 1 61 LYS QG 1 62 MET H . . 4.570 2.678 1.974 4.119 . 0 0 "[ . 1 . 2]" 1
1177 1 62 MET H 1 62 MET QB . . 3.780 2.553 2.377 2.876 . 0 0 "[ . 1 . 2]" 1
1178 1 62 MET H 1 62 MET HG3 . . 4.780 4.534 3.639 4.839 0.059 18 0 "[ . 1 . 2]" 1
1179 1 62 MET H 1 63 PRO HA . . 4.740 4.666 4.529 4.779 0.039 20 0 "[ . 1 . 2]" 1
1180 1 62 MET H 1 63 PRO HD2 . . 4.150 4.230 4.067 4.329 0.179 1 0 "[ . 1 . 2]" 1
1181 1 62 MET H 1 63 PRO HD3 . . 3.760 3.568 3.362 3.720 . 0 0 "[ . 1 . 2]" 1
1182 1 62 MET QB 1 65 ARG H . . 4.440 4.558 3.570 5.164 0.724 20 5 "[- * . * * . +]" 1
1183 1 62 MET QB 1 65 ARG HB3 . . 4.280 3.115 2.131 3.426 . 0 0 "[ . 1 . 2]" 1
1184 1 62 MET QB 1 65 ARG QD . . 4.250 3.397 2.525 4.039 . 0 0 "[ . 1 . 2]" 1
1185 1 62 MET HG2 1 65 ARG QD . . 5.060 3.229 1.999 4.686 . 0 0 "[ . 1 . 2]" 1
1186 1 62 MET HG3 1 65 ARG HB3 . . 4.380 3.607 2.180 4.796 0.416 17 0 "[ . 1 . 2]" 1
1187 1 62 MET HG3 1 65 ARG QD . . 5.090 3.458 2.608 4.565 . 0 0 "[ . 1 . 2]" 1
1188 1 63 PRO HA 1 64 GLY H . . 3.020 2.239 2.159 2.360 . 0 0 "[ . 1 . 2]" 1
1189 1 63 PRO HA 1 65 ARG H . . 4.130 3.479 3.192 3.751 . 0 0 "[ . 1 . 2]" 1
1190 1 63 PRO HB2 1 64 GLY H . . 4.040 3.145 2.731 3.546 . 0 0 "[ . 1 . 2]" 1
1191 1 63 PRO HB3 1 64 GLY H . . 4.210 3.759 3.517 4.011 . 0 0 "[ . 1 . 2]" 1
1192 1 63 PRO QG 1 64 GLY H . . 4.620 4.476 4.245 4.666 0.046 6 0 "[ . 1 . 2]" 1
1193 1 64 GLY H 1 65 ARG H . . 3.550 2.658 2.198 3.287 . 0 0 "[ . 1 . 2]" 1
1194 1 65 ARG H 1 65 ARG HB2 . . 3.440 2.892 2.363 3.312 . 0 0 "[ . 1 . 2]" 1
1195 1 65 ARG H 1 65 ARG HB3 . . 3.590 2.878 2.491 3.214 . 0 0 "[ . 1 . 2]" 1
1196 1 65 ARG H 1 65 ARG QD . . 5.320 4.781 4.402 5.135 . 0 0 "[ . 1 . 2]" 1
1197 1 65 ARG H 1 65 ARG HG2 . . 4.850 4.587 4.424 4.757 . 0 0 "[ . 1 . 2]" 1
1198 1 65 ARG H 1 65 ARG HG3 . . 4.600 4.661 4.351 4.884 0.284 12 0 "[ . 1 . 2]" 1
1199 1 65 ARG H 1 66 GLU H . . 4.710 4.104 3.825 4.472 . 0 0 "[ . 1 . 2]" 1
1200 1 65 ARG HA 1 65 ARG QD . . 4.250 4.067 3.931 4.195 . 0 0 "[ . 1 . 2]" 1
1201 1 65 ARG HA 1 65 ARG HG2 . . 3.700 2.795 2.487 3.166 . 0 0 "[ . 1 . 2]" 1
1202 1 65 ARG HA 1 65 ARG HG3 . . 4.090 2.589 2.399 2.835 . 0 0 "[ . 1 . 2]" 1
1203 1 65 ARG HA 1 66 GLU H . . 2.920 2.186 2.140 2.308 . 0 0 "[ . 1 . 2]" 1
1204 1 65 ARG HB2 1 65 ARG QD . . 3.590 2.614 2.374 3.021 . 0 0 "[ . 1 . 2]" 1
1205 1 65 ARG HB2 1 66 GLU H . . 4.640 4.475 4.300 4.648 0.008 14 0 "[ . 1 . 2]" 1
1206 1 65 ARG HB3 1 65 ARG QD . . 3.640 2.308 2.116 2.634 . 0 0 "[ . 1 . 2]" 1
1207 1 65 ARG HB3 1 66 GLU H . . 4.720 4.197 3.844 4.460 . 0 0 "[ . 1 . 2]" 1
1208 1 65 ARG HG2 1 66 GLU H . . 4.580 3.342 2.606 4.139 . 0 0 "[ . 1 . 2]" 1
1209 1 65 ARG HG3 1 66 GLU H . . 4.720 3.956 3.280 4.499 . 0 0 "[ . 1 . 2]" 1
1210 1 66 GLU H 1 66 GLU QB . . 3.710 2.727 2.451 3.033 . 0 0 "[ . 1 . 2]" 1
1211 1 66 GLU H 1 66 GLU HG2 . . 4.040 3.014 1.905 4.323 0.283 1 0 "[ . 1 . 2]" 1
1212 1 66 GLU H 1 66 GLU HG3 . . 4.510 3.279 2.051 3.947 . 0 0 "[ . 1 . 2]" 1
1213 1 66 GLU HA 1 66 GLU HG2 . . 4.120 3.674 2.871 4.255 0.135 8 0 "[ . 1 . 2]" 1
1214 1 66 GLU HA 1 66 GLU HG3 . . 4.060 3.725 2.345 4.250 0.190 10 0 "[ . 1 . 2]" 1
1215 1 66 GLU HA 1 67 ILE H . . 3.130 2.256 2.191 2.334 . 0 0 "[ . 1 . 2]" 1
1216 1 66 GLU HA 1 67 ILE HB . . 4.790 4.568 4.430 4.614 . 0 0 "[ . 1 . 2]" 1
1217 1 66 GLU HA 1 67 ILE MD . . 4.540 2.765 2.566 2.914 . 0 0 "[ . 1 . 2]" 1
1218 1 66 GLU QB 1 67 ILE H . . 4.010 2.780 2.557 2.995 . 0 0 "[ . 1 . 2]" 1
1219 1 66 GLU QB 1 67 ILE HA . . 4.730 4.471 4.179 4.662 . 0 0 "[ . 1 . 2]" 1
1220 1 66 GLU QB 1 88 LEU QD . . 4.480 2.312 1.999 2.924 . 0 0 "[ . 1 . 2]" 1
1221 1 66 GLU HG2 1 67 ILE H . . 5.500 4.462 3.637 5.065 . 0 0 "[ . 1 . 2]" 1
1222 1 66 GLU HG3 1 67 ILE H . . 4.540 4.532 3.749 4.988 0.448 10 0 "[ . 1 . 2]" 1
1223 1 66 GLU HG3 1 88 LEU QD . . 3.950 3.376 2.579 4.164 0.214 8 0 "[ . 1 . 2]" 1
1224 1 67 ILE H 1 67 ILE HB . . 3.400 2.537 2.445 2.636 . 0 0 "[ . 1 . 2]" 1
1225 1 67 ILE H 1 67 ILE MD . . 3.950 2.136 1.884 2.393 . 0 0 "[ . 1 . 2]" 1
1226 1 67 ILE H 1 67 ILE HG12 . . 4.260 4.262 4.123 4.457 0.197 19 0 "[ . 1 . 2]" 1
1227 1 67 ILE H 1 67 ILE HG13 . . 4.050 3.555 3.337 3.815 . 0 0 "[ . 1 . 2]" 1
1228 1 67 ILE HA 1 67 ILE MD . . 3.610 3.252 3.142 3.359 . 0 0 "[ . 1 . 2]" 1
1229 1 67 ILE HA 1 67 ILE HG12 . . 3.710 3.530 3.486 3.580 . 0 0 "[ . 1 . 2]" 1
1230 1 67 ILE HA 1 67 ILE HG13 . . 3.790 2.310 2.216 2.352 . 0 0 "[ . 1 . 2]" 1
1231 1 67 ILE HA 1 67 ILE MG . . 3.040 2.409 2.349 2.466 . 0 0 "[ . 1 . 2]" 1
1232 1 67 ILE HA 1 68 GLU H . . 2.900 2.154 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
1233 1 67 ILE HA 1 68 GLU QB . . 4.330 4.508 4.302 4.654 0.324 5 0 "[ . 1 . 2]" 1
1234 1 67 ILE HB 1 67 ILE MD . . 3.200 2.230 2.098 2.305 . 0 0 "[ . 1 . 2]" 1
1235 1 67 ILE HB 1 68 GLU H . . 4.970 4.357 4.192 4.496 . 0 0 "[ . 1 . 2]" 1
1236 1 67 ILE MD 1 67 ILE MG . . 3.210 3.174 3.150 3.208 . 0 0 "[ . 1 . 2]" 1
1237 1 67 ILE MD 1 68 GLU H . . 5.090 4.944 4.856 5.015 . 0 0 "[ . 1 . 2]" 1
1238 1 67 ILE HG13 1 67 ILE MG . . 3.250 2.626 2.556 2.675 . 0 0 "[ . 1 . 2]" 1
1239 1 67 ILE HG13 1 68 GLU H . . 4.890 4.376 4.191 4.485 . 0 0 "[ . 1 . 2]" 1
1240 1 67 ILE MG 1 68 GLU H . . 3.270 2.769 2.258 3.043 . 0 0 "[ . 1 . 2]" 1
1241 1 67 ILE MG 1 68 GLU QB . . 4.350 4.341 3.723 4.589 0.239 14 0 "[ . 1 . 2]" 1
1242 1 67 ILE MG 1 68 GLU QG . . 5.000 3.832 3.334 4.783 . 0 0 "[ . 1 . 2]" 1
1243 1 67 ILE MG 1 69 LEU H . . 5.090 4.150 3.695 4.338 . 0 0 "[ . 1 . 2]" 1
1244 1 67 ILE MG 1 69 LEU QD . . 3.830 2.586 2.116 3.046 . 0 0 "[ . 1 . 2]" 1
1245 1 67 ILE MG 1 79 TYR HB2 . . 4.800 4.842 4.536 5.149 0.349 5 0 "[ . 1 . 2]" 1
1246 1 67 ILE MG 1 79 TYR HB3 . . 4.360 3.515 3.215 3.925 . 0 0 "[ . 1 . 2]" 1
1247 1 67 ILE MG 1 79 TYR QD . . 3.700 2.230 1.963 2.495 . 0 0 "[ . 1 . 2]" 1
1248 1 67 ILE MG 1 79 TYR QE . . 4.450 2.990 2.567 3.597 . 0 0 "[ . 1 . 2]" 1
1249 1 68 GLU H 1 68 GLU QB . . 3.220 2.599 2.306 2.881 . 0 0 "[ . 1 . 2]" 1
1250 1 68 GLU H 1 68 GLU QG . . 3.790 2.163 1.884 3.204 . 0 0 "[ . 1 . 2]" 1
1251 1 68 GLU H 1 69 LEU H . . 4.950 4.398 4.289 4.460 . 0 0 "[ . 1 . 2]" 1
1252 1 68 GLU HA 1 69 LEU H . . 2.990 2.148 2.139 2.173 . 0 0 "[ . 1 . 2]" 1
1253 1 68 GLU HA 1 69 LEU QD . . 4.700 4.170 4.043 4.328 . 0 0 "[ . 1 . 2]" 1
1254 1 68 GLU HA 1 69 LEU HG . . 4.510 3.685 3.544 3.853 . 0 0 "[ . 1 . 2]" 1
1255 1 68 GLU QB 1 69 LEU H . . 4.020 3.453 3.317 3.607 . 0 0 "[ . 1 . 2]" 1
1256 1 68 GLU QG 1 69 LEU H . . 4.530 4.389 4.195 4.569 0.039 5 0 "[ . 1 . 2]" 1
1257 1 69 LEU H 1 69 LEU HB2 . . 3.670 2.659 2.528 2.729 . 0 0 "[ . 1 . 2]" 1
1258 1 69 LEU H 1 69 LEU HB3 . . 4.060 3.603 3.581 3.635 . 0 0 "[ . 1 . 2]" 1
1259 1 69 LEU H 1 69 LEU QD . . 3.970 2.972 2.888 3.120 . 0 0 "[ . 1 . 2]" 1
1260 1 69 LEU H 1 69 LEU HG . . 3.910 2.026 1.909 2.238 . 0 0 "[ . 1 . 2]" 1
1261 1 69 LEU H 1 70 GLU H . . 4.700 4.250 3.830 4.455 . 0 0 "[ . 1 . 2]" 1
1262 1 69 LEU H 1 70 GLU QG . . 4.820 5.539 4.753 6.194 1.374 5 16 "[** *+*********. * *-]" 1
1263 1 69 LEU HA 1 69 LEU QD . . 3.020 2.262 2.082 2.558 . 0 0 "[ . 1 . 2]" 1
1264 1 69 LEU HA 1 69 LEU HG . . 4.250 3.184 3.008 3.288 . 0 0 "[ . 1 . 2]" 1
1265 1 69 LEU HA 1 70 GLU H . . 3.140 2.200 2.140 2.389 . 0 0 "[ . 1 . 2]" 1
1266 1 69 LEU HA 1 70 GLU HA . . 4.680 4.440 4.392 4.554 . 0 0 "[ . 1 . 2]" 1
1267 1 69 LEU HA 1 71 ASN H . . 4.840 3.637 3.234 4.309 . 0 0 "[ . 1 . 2]" 1
1268 1 69 LEU HA 1 79 TYR QE . . 4.080 2.813 2.480 3.266 . 0 0 "[ . 1 . 2]" 1
1269 1 69 LEU HB2 1 69 LEU QD . . 3.090 2.134 2.060 2.285 . 0 0 "[ . 1 . 2]" 1
1270 1 69 LEU HB3 1 70 GLU H . . 4.700 3.828 3.515 4.220 . 0 0 "[ . 1 . 2]" 1
1271 1 69 LEU HB3 1 79 TYR QE . . 4.520 3.240 2.837 3.466 . 0 0 "[ . 1 . 2]" 1
1272 1 69 LEU QD 1 70 GLU H . . 4.550 4.026 3.879 4.169 . 0 0 "[ . 1 . 2]" 1
1273 1 69 LEU QD 1 76 LEU HG . . 4.730 4.862 4.559 5.360 0.630 20 2 "[- . 1 . +]" 1
1274 1 69 LEU QD 1 78 PHE QD . . 5.220 4.621 4.060 5.098 . 0 0 "[ . 1 . 2]" 1
1275 1 69 LEU QD 1 79 TYR H . . 4.880 4.406 4.048 4.718 . 0 0 "[ . 1 . 2]" 1
1276 1 69 LEU QD 1 79 TYR HA . . 4.530 4.271 4.097 4.504 . 0 0 "[ . 1 . 2]" 1
1277 1 69 LEU QD 1 79 TYR HB2 . . 3.680 2.789 2.541 3.145 . 0 0 "[ . 1 . 2]" 1
1278 1 69 LEU QD 1 79 TYR HB3 . . 3.630 2.739 2.492 3.007 . 0 0 "[ . 1 . 2]" 1
1279 1 69 LEU QD 1 79 TYR QD . . 3.330 2.405 2.264 2.627 . 0 0 "[ . 1 . 2]" 1
1280 1 69 LEU QD 1 79 TYR QE . . 3.970 2.664 2.422 2.953 . 0 0 "[ . 1 . 2]" 1
1281 1 70 GLU H 1 70 GLU HB2 . . 3.700 3.444 2.599 3.712 0.012 8 0 "[ . 1 . 2]" 1
1282 1 70 GLU H 1 70 GLU HB3 . . 3.670 3.003 2.608 3.663 . 0 0 "[ . 1 . 2]" 1
1283 1 70 GLU H 1 70 GLU QG . . 3.750 2.037 1.888 2.362 . 0 0 "[ . 1 . 2]" 1
1284 1 70 GLU H 1 71 ASN H . . 3.570 2.338 2.005 2.661 . 0 0 "[ . 1 . 2]" 1
1285 1 70 GLU HA 1 70 GLU QG . . 3.760 3.231 2.556 3.438 . 0 0 "[ . 1 . 2]" 1
1286 1 70 GLU HB2 1 71 ASN H . . 4.680 3.549 2.091 4.233 . 0 0 "[ . 1 . 2]" 1
1287 1 70 GLU HB3 1 71 ASN H . . 4.530 3.985 3.343 4.439 . 0 0 "[ . 1 . 2]" 1
1288 1 70 GLU QG 1 71 ASN H . . 4.660 2.583 1.837 3.776 . 0 0 "[ . 1 . 2]" 1
1289 1 70 GLU QG 1 71 ASN HB2 . . 5.160 3.823 2.705 5.339 0.179 18 0 "[ . 1 . 2]" 1
1290 1 70 GLU QG 1 79 TYR QE . . 4.750 3.987 3.426 4.346 . 0 0 "[ . 1 . 2]" 1
1291 1 71 ASN H 1 71 ASN HB2 . . 3.680 2.282 2.181 2.466 . 0 0 "[ . 1 . 2]" 1
1292 1 71 ASN H 1 71 ASN HB3 . . 3.580 3.268 2.766 3.613 0.033 5 0 "[ . 1 . 2]" 1
1293 1 71 ASN H 1 74 GLN HB2 . . 5.180 4.840 4.603 4.925 . 0 0 "[ . 1 . 2]" 1
1294 1 71 ASN H 1 79 TYR QE . . 4.280 3.716 3.319 3.964 . 0 0 "[ . 1 . 2]" 1
1295 1 71 ASN HA 1 73 LEU H . . 4.430 3.590 3.207 4.207 . 0 0 "[ . 1 . 2]" 1
1296 1 71 ASN HB2 1 74 GLN HG2 . . 4.220 4.044 3.602 4.265 0.045 14 0 "[ . 1 . 2]" 1
1297 1 71 ASN HB2 1 74 GLN HG3 . . 4.540 3.225 2.921 3.677 . 0 0 "[ . 1 . 2]" 1
1298 1 71 ASN HB3 1 74 GLN H . . 4.460 3.357 2.729 4.071 . 0 0 "[ . 1 . 2]" 1
1299 1 71 ASN HB3 1 74 GLN HB2 . . 4.410 2.281 1.999 2.606 . 0 0 "[ . 1 . 2]" 1
1300 1 71 ASN HB3 1 74 GLN HG2 . . 3.940 2.805 2.228 3.448 . 0 0 "[ . 1 . 2]" 1
1301 1 71 ASN HB3 1 74 GLN HG3 . . 4.100 2.530 2.041 2.947 . 0 0 "[ . 1 . 2]" 1
1302 1 71 ASN HB3 1 79 TYR QE . . 4.490 3.544 2.817 4.252 . 0 0 "[ . 1 . 2]" 1
1303 1 71 ASN QD 1 73 LEU QB . . 4.850 3.351 2.024 4.498 . 0 0 "[ . 1 . 2]" 1
1304 1 71 ASN QD 1 74 GLN HE21 . . 4.920 3.258 2.548 4.005 . 0 0 "[ . 1 . 2]" 1
1305 1 71 ASN QD 1 74 GLN HE22 . . 5.170 4.697 3.927 5.515 0.345 13 0 "[ . 1 . 2]" 1
1306 1 71 ASN QD 1 74 GLN HG2 . . 4.720 2.511 2.075 3.162 . 0 0 "[ . 1 . 2]" 1
1307 1 72 ASP H 1 72 ASP QB . . 3.720 2.712 2.189 3.000 . 0 0 "[ . 1 . 2]" 1
1308 1 72 ASP H 1 73 LEU H . . 3.760 2.296 2.114 2.530 . 0 0 "[ . 1 . 2]" 1
1309 1 72 ASP HA 1 74 GLN H . . 4.880 3.529 3.405 3.730 . 0 0 "[ . 1 . 2]" 1
1310 1 72 ASP QB 1 73 LEU H . . 3.850 3.059 2.430 3.628 . 0 0 "[ . 1 . 2]" 1
1311 1 72 ASP QB 1 73 LEU HA . . 4.820 3.984 3.769 4.210 . 0 0 "[ . 1 . 2]" 1
1312 1 72 ASP QB 1 73 LEU QB . . 4.860 4.607 4.340 4.916 0.056 14 0 "[ . 1 . 2]" 1
1313 1 72 ASP QB 1 73 LEU QD . . 3.740 3.419 1.939 3.690 . 0 0 "[ . 1 . 2]" 1
1314 1 72 ASP QB 1 73 LEU HG . . 4.410 3.726 3.214 4.729 0.319 16 0 "[ . 1 . 2]" 1
1315 1 73 LEU H 1 73 LEU QB . . 2.950 2.382 2.254 2.800 . 0 0 "[ . 1 . 2]" 1
1316 1 73 LEU H 1 73 LEU QD . . 3.930 3.071 1.621 3.558 . 0 0 "[ . 1 . 2]" 1
1317 1 73 LEU H 1 73 LEU HG . . 3.560 2.776 2.176 3.430 . 0 0 "[ . 1 . 2]" 1
1318 1 73 LEU H 1 74 GLN H . . 3.350 2.711 2.385 3.053 . 0 0 "[ . 1 . 2]" 1
1319 1 73 LEU H 1 74 GLN HG2 . . 4.670 3.982 3.578 4.433 . 0 0 "[ . 1 . 2]" 1
1320 1 73 LEU HA 1 73 LEU QD . . 2.860 2.195 1.949 2.983 0.123 12 0 "[ . 1 . 2]" 1
1321 1 73 LEU HA 1 73 LEU HG . . 3.870 3.024 2.306 3.810 . 0 0 "[ . 1 . 2]" 1
1322 1 73 LEU QB 1 74 GLN H . . 3.990 3.486 3.004 3.808 . 0 0 "[ . 1 . 2]" 1
1323 1 73 LEU QD 1 74 GLN H . . 5.010 4.254 3.089 4.424 . 0 0 "[ . 1 . 2]" 1
1324 1 74 GLN H 1 74 GLN HB2 . . 4.100 2.549 2.378 2.745 . 0 0 "[ . 1 . 2]" 1
1325 1 74 GLN H 1 74 GLN HG2 . . 3.320 3.011 2.469 3.470 0.150 14 0 "[ . 1 . 2]" 1
1326 1 74 GLN H 1 74 GLN HG3 . . 4.670 4.083 3.528 4.576 . 0 0 "[ . 1 . 2]" 1
1327 1 74 GLN H 1 75 PRO HD2 . . 5.030 4.827 4.785 4.843 . 0 0 "[ . 1 . 2]" 1
1328 1 74 GLN H 1 75 PRO HD3 . . 4.590 4.827 4.633 4.944 0.354 5 0 "[ . 1 . 2]" 1
1329 1 74 GLN HA 1 75 PRO HD2 . . 3.180 2.192 2.131 2.240 . 0 0 "[ . 1 . 2]" 1
1330 1 74 GLN HA 1 75 PRO HD3 . . 2.800 2.253 2.251 2.256 . 0 0 "[ . 1 . 2]" 1
1331 1 74 GLN HB2 1 75 PRO HD2 . . 4.320 3.991 3.870 4.094 . 0 0 "[ . 1 . 2]" 1
1332 1 74 GLN HB2 1 78 PHE QE . . 5.130 4.438 3.799 4.873 . 0 0 "[ . 1 . 2]" 1
1333 1 74 GLN HB2 1 79 TYR QD . . 4.720 4.428 4.297 4.490 . 0 0 "[ . 1 . 2]" 1
1334 1 74 GLN HB2 1 79 TYR QE . . 3.550 2.733 2.474 2.906 . 0 0 "[ . 1 . 2]" 1
1335 1 74 GLN HB3 1 75 PRO HD2 . . 3.800 2.535 2.377 2.679 . 0 0 "[ . 1 . 2]" 1
1336 1 74 GLN HB3 1 78 PHE HB2 . . 4.120 3.117 2.835 3.561 . 0 0 "[ . 1 . 2]" 1
1337 1 74 GLN HB3 1 78 PHE HB3 . . 4.200 2.569 2.287 2.723 . 0 0 "[ . 1 . 2]" 1
1338 1 74 GLN HB3 1 78 PHE QD . . 4.350 2.748 2.237 3.350 . 0 0 "[ . 1 . 2]" 1
1339 1 74 GLN HB3 1 79 TYR QD . . 4.820 4.240 3.966 4.398 . 0 0 "[ . 1 . 2]" 1
1340 1 74 GLN HB3 1 79 TYR QE . . 3.810 3.462 2.867 3.621 . 0 0 "[ . 1 . 2]" 1
1341 1 74 GLN HE22 1 78 PHE QE . . 5.180 4.210 3.034 5.709 0.529 15 1 "[ . 1 + 2]" 1
1342 1 74 GLN HG3 1 78 PHE QD . . 4.790 3.507 3.007 4.033 . 0 0 "[ . 1 . 2]" 1
1343 1 74 GLN HG3 1 78 PHE QE . . 4.730 3.334 2.786 3.892 . 0 0 "[ . 1 . 2]" 1
1344 1 74 GLN HG3 1 79 TYR QE . . 4.510 4.301 4.094 4.510 0.000 18 0 "[ . 1 . 2]" 1
1345 1 75 PRO HA 1 76 LEU H . . 3.310 2.444 2.236 2.594 . 0 0 "[ . 1 . 2]" 1
1346 1 75 PRO HA 1 77 GLN H . . 4.910 4.293 3.991 4.468 . 0 0 "[ . 1 . 2]" 1
1347 1 75 PRO HB2 1 76 LEU H . . 4.000 2.520 2.167 3.094 . 0 0 "[ . 1 . 2]" 1
1348 1 75 PRO HB2 1 77 GLN H . . 3.550 2.434 2.341 2.528 . 0 0 "[ . 1 . 2]" 1
1349 1 75 PRO HB2 1 78 PHE H . . 4.340 3.234 3.053 3.421 . 0 0 "[ . 1 . 2]" 1
1350 1 75 PRO HB3 1 76 LEU H . . 4.180 3.413 3.247 3.721 . 0 0 "[ . 1 . 2]" 1
1351 1 75 PRO HB3 1 77 GLN H . . 4.230 4.158 4.073 4.234 0.004 5 0 "[ . 1 . 2]" 1
1352 1 75 PRO HB3 1 78 PHE H . . 4.550 4.704 4.552 4.839 0.289 18 0 "[ . 1 . 2]" 1
1353 1 75 PRO HD2 1 78 PHE H . . 4.820 4.066 3.907 4.208 . 0 0 "[ . 1 . 2]" 1
1354 1 75 PRO HD2 1 78 PHE HB2 . . 3.380 2.510 2.231 2.705 . 0 0 "[ . 1 . 2]" 1
1355 1 75 PRO HD2 1 78 PHE HB3 . . 4.250 3.196 2.788 3.442 . 0 0 "[ . 1 . 2]" 1
1356 1 75 PRO HD2 1 78 PHE QD . . 5.130 3.953 3.536 4.244 . 0 0 "[ . 1 . 2]" 1
1357 1 75 PRO HD3 1 78 PHE H . . 5.230 5.188 5.058 5.313 0.083 3 0 "[ . 1 . 2]" 1
1358 1 75 PRO HD3 1 78 PHE HB2 . . 4.450 4.152 3.889 4.359 . 0 0 "[ . 1 . 2]" 1
1359 1 75 PRO QG 1 77 GLN H . . 4.820 3.550 3.305 3.804 . 0 0 "[ . 1 . 2]" 1
1360 1 75 PRO QG 1 77 GLN QE . . 4.620 3.499 1.875 5.432 0.812 7 2 "[ . + 1 -. 2]" 1
1361 1 75 PRO QG 1 77 GLN QG . . 3.340 3.249 2.068 4.511 1.171 10 9 "[ * *+** -* **2]" 1
1362 1 75 PRO QG 1 78 PHE H . . 3.560 2.475 2.305 2.623 . 0 0 "[ . 1 . 2]" 1
1363 1 75 PRO QG 1 78 PHE HA . . 4.910 3.875 3.745 4.047 . 0 0 "[ . 1 . 2]" 1
1364 1 75 PRO QG 1 78 PHE HB2 . . 4.130 2.360 2.206 2.656 . 0 0 "[ . 1 . 2]" 1
1365 1 75 PRO QG 1 78 PHE HB3 . . 4.370 3.200 2.632 3.524 . 0 0 "[ . 1 . 2]" 1
1366 1 76 LEU H 1 76 LEU HB2 . . 3.050 2.322 2.238 2.373 . 0 0 "[ . 1 . 2]" 1
1367 1 76 LEU H 1 76 LEU HB3 . . 4.030 3.561 3.529 3.575 . 0 0 "[ . 1 . 2]" 1
1368 1 76 LEU H 1 76 LEU MD1 . . 3.770 3.612 3.456 3.672 . 0 0 "[ . 1 . 2]" 1
1369 1 76 LEU H 1 76 LEU MD2 . . 3.680 1.961 1.817 2.203 . 0 0 "[ . 1 . 2]" 1
1370 1 76 LEU H 1 77 GLN H . . 3.840 2.541 2.393 2.770 . 0 0 "[ . 1 . 2]" 1
1371 1 76 LEU H 1 77 GLN HA . . 4.940 5.154 5.035 5.340 0.400 15 0 "[ . 1 . 2]" 1
1372 1 76 LEU HA 1 76 LEU MD1 . . 2.850 2.006 1.951 2.117 . 0 0 "[ . 1 . 2]" 1
1373 1 76 LEU HA 1 76 LEU MD2 . . 4.260 2.713 2.489 2.928 . 0 0 "[ . 1 . 2]" 1
1374 1 76 LEU HA 1 79 TYR H . . 4.510 3.624 3.456 3.803 . 0 0 "[ . 1 . 2]" 1
1375 1 76 LEU HA 1 79 TYR HB2 . . 4.530 3.460 3.206 3.636 . 0 0 "[ . 1 . 2]" 1
1376 1 76 LEU HA 1 79 TYR HB3 . . 4.890 5.172 4.909 5.363 0.473 1 0 "[ . 1 . 2]" 1
1377 1 76 LEU HA 1 79 TYR QD . . 3.460 3.038 2.814 3.290 . 0 0 "[ . 1 . 2]" 1
1378 1 76 LEU HA 1 79 TYR QE . . 4.770 4.832 4.545 5.093 0.323 9 0 "[ . 1 . 2]" 1
1379 1 76 LEU HA 1 81 VAL HB . . 5.150 3.756 3.521 3.963 . 0 0 "[ . 1 . 2]" 1
1380 1 76 LEU HA 1 81 VAL MG2 . . 3.870 3.218 2.810 3.561 . 0 0 "[ . 1 . 2]" 1
1381 1 76 LEU HB2 1 76 LEU MD2 . . 2.960 2.311 2.157 2.415 . 0 0 "[ . 1 . 2]" 1
1382 1 76 LEU HB2 1 77 GLN H . . 3.060 2.835 2.748 2.908 . 0 0 "[ . 1 . 2]" 1
1383 1 76 LEU HB2 1 81 VAL HB . . 4.440 3.793 3.524 4.029 . 0 0 "[ . 1 . 2]" 1
1384 1 76 LEU HB3 1 77 GLN H . . 4.250 3.649 3.503 3.774 . 0 0 "[ . 1 . 2]" 1
1385 1 76 LEU HB3 1 81 VAL H . . 5.060 4.440 4.269 4.663 . 0 0 "[ . 1 . 2]" 1
1386 1 76 LEU HB3 1 81 VAL HB . . 3.800 2.321 2.005 2.488 . 0 0 "[ . 1 . 2]" 1
1387 1 76 LEU HB3 1 81 VAL MG1 . . 3.390 2.698 2.327 2.952 . 0 0 "[ . 1 . 2]" 1
1388 1 76 LEU HB3 1 81 VAL MG2 . . 3.610 3.086 2.649 3.433 . 0 0 "[ . 1 . 2]" 1
1389 1 76 LEU MD1 1 77 GLN H . . 4.490 4.714 4.621 4.775 0.285 17 0 "[ . 1 . 2]" 1
1390 1 76 LEU MD1 1 79 TYR QD . . 4.190 3.832 3.575 4.000 . 0 0 "[ . 1 . 2]" 1
1391 1 76 LEU MD2 1 77 GLN H . . 4.900 3.908 3.812 4.023 . 0 0 "[ . 1 . 2]" 1
1392 1 77 GLN H 1 77 GLN QB . . 3.340 2.292 2.128 2.538 . 0 0 "[ . 1 . 2]" 1
1393 1 77 GLN H 1 77 GLN QG . . 4.250 3.129 2.140 4.036 . 0 0 "[ . 1 . 2]" 1
1394 1 77 GLN H 1 78 PHE H . . 4.000 2.619 2.532 2.694 . 0 0 "[ . 1 . 2]" 1
1395 1 77 GLN H 1 79 TYR H . . 5.220 4.207 4.061 4.372 . 0 0 "[ . 1 . 2]" 1
1396 1 77 GLN HA 1 77 GLN QG . . 3.780 3.041 2.536 3.432 . 0 0 "[ . 1 . 2]" 1
1397 1 77 GLN HA 1 79 TYR H . . 4.760 3.783 3.437 4.171 . 0 0 "[ . 1 . 2]" 1
1398 1 77 GLN HA 1 80 SER H . . 4.360 3.681 3.315 3.897 . 0 0 "[ . 1 . 2]" 1
1399 1 77 GLN HA 1 80 SER HA . . 4.500 3.961 3.778 4.200 . 0 0 "[ . 1 . 2]" 1
1400 1 77 GLN HA 1 81 VAL H . . 4.330 2.805 2.545 3.191 . 0 0 "[ . 1 . 2]" 1
1401 1 77 GLN QB 1 78 PHE H . . 4.250 3.239 2.772 3.657 . 0 0 "[ . 1 . 2]" 1
1402 1 77 GLN QE 1 78 PHE H . . 4.990 4.286 2.915 4.566 . 0 0 "[ . 1 . 2]" 1
1403 1 77 GLN QG 1 78 PHE H . . 4.270 2.963 2.025 3.890 . 0 0 "[ . 1 . 2]" 1
1404 1 77 GLN QG 1 78 PHE HA . . 4.790 3.329 2.912 3.973 . 0 0 "[ . 1 . 2]" 1
1405 1 78 PHE H 1 78 PHE HB2 . . 3.520 2.610 2.463 2.882 . 0 0 "[ . 1 . 2]" 1
1406 1 78 PHE H 1 78 PHE HB3 . . 3.410 2.463 2.233 2.597 . 0 0 "[ . 1 . 2]" 1
1407 1 78 PHE H 1 78 PHE QD . . 4.530 4.161 3.985 4.190 . 0 0 "[ . 1 . 2]" 1
1408 1 78 PHE H 1 79 TYR H . . 3.100 2.643 2.528 2.763 . 0 0 "[ . 1 . 2]" 1
1409 1 78 PHE H 1 79 TYR QD . . 4.320 4.106 3.828 4.328 0.008 13 0 "[ . 1 . 2]" 1
1410 1 78 PHE HA 1 78 PHE QD . . 3.650 2.710 2.371 3.047 . 0 0 "[ . 1 . 2]" 1
1411 1 78 PHE HA 1 78 PHE QE . . 5.080 4.643 4.511 4.923 . 0 0 "[ . 1 . 2]" 1
1412 1 78 PHE HB2 1 79 TYR H . . 4.520 4.126 3.964 4.277 . 0 0 "[ . 1 . 2]" 1
1413 1 78 PHE HB2 1 79 TYR QD . . 4.850 4.797 4.542 5.255 0.405 7 0 "[ . 1 . 2]" 1
1414 1 78 PHE HB3 1 79 TYR H . . 4.110 3.006 2.667 3.327 . 0 0 "[ . 1 . 2]" 1
1415 1 78 PHE HB3 1 79 TYR QD . . 4.580 3.119 2.862 3.622 . 0 0 "[ . 1 . 2]" 1
1416 1 78 PHE HB3 1 79 TYR QE . . 4.890 3.933 3.619 4.446 . 0 0 "[ . 1 . 2]" 1
1417 1 78 PHE QD 1 79 TYR H . . 4.340 3.895 3.260 4.339 . 0 0 "[ . 1 . 2]" 1
1418 1 78 PHE QD 1 79 TYR HA . . 4.550 3.922 3.283 4.389 . 0 0 "[ . 1 . 2]" 1
1419 1 78 PHE QD 1 79 TYR QD . . 4.370 3.142 2.641 3.812 . 0 0 "[ . 1 . 2]" 1
1420 1 78 PHE QD 1 79 TYR QE . . 4.200 3.030 2.539 3.639 . 0 0 "[ . 1 . 2]" 1
1421 1 79 TYR H 1 79 TYR HB2 . . 3.450 2.368 2.302 2.412 . 0 0 "[ . 1 . 2]" 1
1422 1 79 TYR H 1 79 TYR HB3 . . 3.920 3.608 3.571 3.632 . 0 0 "[ . 1 . 2]" 1
1423 1 79 TYR H 1 80 SER H . . 3.480 2.602 2.195 2.863 . 0 0 "[ . 1 . 2]" 1
1424 1 79 TYR H 1 81 VAL H . . 4.830 3.351 3.036 3.637 . 0 0 "[ . 1 . 2]" 1
1425 1 79 TYR H 1 81 VAL MG2 . . 4.310 3.508 3.299 3.743 . 0 0 "[ . 1 . 2]" 1
1426 1 79 TYR HA 1 79 TYR QD . . 3.380 2.895 2.658 3.005 . 0 0 "[ . 1 . 2]" 1
1427 1 79 TYR HA 1 79 TYR QE . . 4.660 4.552 4.456 4.609 . 0 0 "[ . 1 . 2]" 1
1428 1 79 TYR HB2 1 80 SER H . . 4.570 3.947 3.713 4.086 . 0 0 "[ . 1 . 2]" 1
1429 1 79 TYR HB2 1 81 VAL H . . 4.680 3.656 3.356 4.063 . 0 0 "[ . 1 . 2]" 1
1430 1 79 TYR HB2 1 81 VAL MG2 . . 3.380 2.173 1.980 2.371 . 0 0 "[ . 1 . 2]" 1
1431 1 79 TYR HB3 1 80 SER H . . 4.630 4.331 4.181 4.410 . 0 0 "[ . 1 . 2]" 1
1432 1 79 TYR HB3 1 81 VAL MG2 . . 3.590 2.697 2.378 2.930 . 0 0 "[ . 1 . 2]" 1
1433 1 79 TYR QD 1 80 SER H . . 4.920 4.882 4.767 4.959 0.039 4 0 "[ . 1 . 2]" 1
1434 1 79 TYR QD 1 81 VAL MG2 . . 4.300 3.716 3.526 4.026 . 0 0 "[ . 1 . 2]" 1
1435 1 80 SER H 1 80 SER HB2 . . 4.040 3.248 2.967 3.613 . 0 0 "[ . 1 . 2]" 1
1436 1 80 SER H 1 81 VAL H . . 3.620 2.705 2.495 2.812 . 0 0 "[ . 1 . 2]" 1
1437 1 80 SER H 1 81 VAL HB . . 5.300 4.937 4.748 5.040 . 0 0 "[ . 1 . 2]" 1
1438 1 80 SER H 1 81 VAL MG2 . . 4.490 4.064 3.836 4.272 . 0 0 "[ . 1 . 2]" 1
1439 1 80 SER HA 1 81 VAL H . . 3.480 2.856 2.676 2.982 . 0 0 "[ . 1 . 2]" 1
1440 1 80 SER HB2 1 81 VAL H . . 4.730 4.388 4.027 4.648 . 0 0 "[ . 1 . 2]" 1
1441 1 81 VAL H 1 81 VAL HB . . 3.300 2.476 2.401 2.564 . 0 0 "[ . 1 . 2]" 1
1442 1 81 VAL H 1 81 VAL MG1 . . 3.860 3.770 3.717 3.797 . 0 0 "[ . 1 . 2]" 1
1443 1 81 VAL H 1 81 VAL MG2 . . 2.940 2.520 2.230 2.902 . 0 0 "[ . 1 . 2]" 1
1444 1 81 VAL H 1 82 GLU H . . 4.830 4.473 4.383 4.571 . 0 0 "[ . 1 . 2]" 1
1445 1 81 VAL HA 1 81 VAL MG1 . . 3.250 2.390 2.323 2.467 . 0 0 "[ . 1 . 2]" 1
1446 1 81 VAL HA 1 81 VAL MG2 . . 3.170 2.334 2.135 2.463 . 0 0 "[ . 1 . 2]" 1
1447 1 81 VAL HA 1 82 GLU H . . 2.910 2.154 2.141 2.183 . 0 0 "[ . 1 . 2]" 1
1448 1 81 VAL HA 1 82 GLU QB . . 4.650 4.340 4.165 4.569 . 0 0 "[ . 1 . 2]" 1
1449 1 81 VAL HA 1 82 GLU QG . . 4.720 3.926 3.256 4.479 . 0 0 "[ . 1 . 2]" 1
1450 1 81 VAL HA 1 85 ASP QB . . 4.810 4.009 3.685 4.220 . 0 0 "[ . 1 . 2]" 1
1451 1 81 VAL HB 1 82 GLU H . . 4.800 4.232 4.086 4.343 . 0 0 "[ . 1 . 2]" 1
1452 1 81 VAL MG1 1 82 GLU H . . 3.290 2.502 2.153 2.857 . 0 0 "[ . 1 . 2]" 1
1453 1 81 VAL MG1 1 85 ASP H . . 4.470 4.395 4.205 4.491 0.021 9 0 "[ . 1 . 2]" 1
1454 1 81 VAL MG1 1 85 ASP QB . . 3.500 2.800 2.455 3.352 . 0 0 "[ . 1 . 2]" 1
1455 1 81 VAL MG2 1 82 GLU H . . 3.940 4.011 3.828 4.177 0.237 10 0 "[ . 1 . 2]" 1
1456 1 81 VAL MG2 1 85 ASP QB . . 4.480 4.091 3.781 4.392 . 0 0 "[ . 1 . 2]" 1
1457 1 82 GLU H 1 82 GLU QB . . 3.630 2.844 2.392 3.178 . 0 0 "[ . 1 . 2]" 1
1458 1 82 GLU H 1 82 GLU QG . . 4.070 2.671 1.904 3.462 . 0 0 "[ . 1 . 2]" 1
1459 1 82 GLU H 1 83 ASN H . . 4.680 4.449 4.377 4.492 . 0 0 "[ . 1 . 2]" 1
1460 1 82 GLU H 1 85 ASP QB . . 4.220 3.383 2.918 3.796 . 0 0 "[ . 1 . 2]" 1
1461 1 82 GLU HA 1 82 GLU QG . . 3.580 2.968 2.173 3.339 . 0 0 "[ . 1 . 2]" 1
1462 1 82 GLU HA 1 83 ASN H . . 3.120 2.397 2.293 2.657 . 0 0 "[ . 1 . 2]" 1
1463 1 82 GLU QB 1 83 ASN H . . 3.450 2.437 1.899 2.655 . 0 0 "[ . 1 . 2]" 1
1464 1 82 GLU QB 1 83 ASN QB . . 4.450 4.306 3.836 4.481 0.031 11 0 "[ . 1 . 2]" 1
1465 1 82 GLU QG 1 83 ASN H . . 4.340 3.678 3.351 3.947 . 0 0 "[ . 1 . 2]" 1
1466 1 83 ASN H 1 83 ASN QB . . 2.990 2.470 2.170 2.760 . 0 0 "[ . 1 . 2]" 1
1467 1 83 ASN H 1 83 ASN HD22 . . 5.090 3.931 2.961 5.795 0.705 20 1 "[ . 1 . +]" 1
1468 1 83 ASN H 1 84 GLY H . . 4.790 4.603 4.553 4.638 . 0 0 "[ . 1 . 2]" 1
1469 1 83 ASN HA 1 84 GLY H . . 3.010 2.202 2.157 2.255 . 0 0 "[ . 1 . 2]" 1
1470 1 83 ASN HA 1 85 ASP H . . 4.350 3.660 3.330 3.954 . 0 0 "[ . 1 . 2]" 1
1471 1 83 ASN QB 1 83 ASN HD22 . . 3.810 3.266 3.213 3.376 . 0 0 "[ . 1 . 2]" 1
1472 1 83 ASN QB 1 84 GLY H . . 3.970 3.043 2.788 3.735 . 0 0 "[ . 1 . 2]" 1
1473 1 84 GLY H 1 85 ASP H . . 3.730 2.865 2.577 3.149 . 0 0 "[ . 1 . 2]" 1
1474 1 85 ASP H 1 85 ASP QB . . 3.740 2.351 2.129 2.718 . 0 0 "[ . 1 . 2]" 1
1475 1 85 ASP HA 1 86 CYS H . . 3.430 2.531 2.380 2.641 . 0 0 "[ . 1 . 2]" 1
1476 1 85 ASP QB 1 86 CYS H . . 3.140 2.337 1.975 3.279 0.139 9 0 "[ . 1 . 2]" 1
1477 1 86 CYS H 1 86 CYS QB . . 3.610 2.467 2.320 2.570 . 0 0 "[ . 1 . 2]" 1
1478 1 86 CYS HA 1 87 LEU H . . 3.090 2.237 2.143 2.390 . 0 0 "[ . 1 . 2]" 1
1479 1 86 CYS HA 1 87 LEU HA . . 5.000 4.384 4.369 4.433 . 0 0 "[ . 1 . 2]" 1
1480 1 86 CYS HA 1 87 LEU QB . . 4.780 4.258 4.126 4.381 . 0 0 "[ . 1 . 2]" 1
1481 1 86 CYS HA 1 87 LEU HG . . 5.330 4.038 3.714 4.360 . 0 0 "[ . 1 . 2]" 1
1482 1 86 CYS QB 1 87 LEU H . . 4.490 2.881 2.471 3.299 . 0 0 "[ . 1 . 2]" 1
1483 1 86 CYS QB 1 87 LEU HA . . 4.890 4.248 4.066 4.440 . 0 0 "[ . 1 . 2]" 1
1484 1 86 CYS QB 1 88 LEU QD . . 4.310 3.184 3.055 3.289 . 0 0 "[ . 1 . 2]" 1
1485 1 87 LEU H 1 87 LEU QB . . 3.700 2.379 2.272 2.526 . 0 0 "[ . 1 . 2]" 1
1486 1 87 LEU H 1 87 LEU MD1 . . 4.000 3.999 3.667 4.381 0.381 18 0 "[ . 1 . 2]" 1
1487 1 87 LEU H 1 87 LEU MD2 . . 4.380 3.850 3.568 4.044 . 0 0 "[ . 1 . 2]" 1
1488 1 87 LEU H 1 87 LEU HG . . 3.690 3.067 2.618 3.554 . 0 0 "[ . 1 . 2]" 1
1489 1 87 LEU H 1 88 LEU H . . 4.550 4.383 4.220 4.504 . 0 0 "[ . 1 . 2]" 1
1490 1 87 LEU HA 1 87 LEU MD2 . . 3.150 1.994 1.914 2.081 . 0 0 "[ . 1 . 2]" 1
1491 1 87 LEU HA 1 88 LEU H . . 3.180 2.148 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
1492 1 87 LEU HA 1 88 LEU QD . . 4.630 4.234 4.162 4.331 . 0 0 "[ . 1 . 2]" 1
1493 1 87 LEU HA 1 88 LEU HG . . 4.760 3.701 3.586 3.806 . 0 0 "[ . 1 . 2]" 1
1494 1 87 LEU QB 1 87 LEU MD1 . . 3.200 2.075 2.005 2.096 . 0 0 "[ . 1 . 2]" 1
1495 1 87 LEU QB 1 88 LEU H . . 4.190 3.267 3.068 3.430 . 0 0 "[ . 1 . 2]" 1
1496 1 87 LEU MD2 1 88 LEU H . . 3.930 3.361 3.037 3.591 . 0 0 "[ . 1 . 2]" 1
1497 1 88 LEU H 1 88 LEU HB2 . . 3.660 2.635 2.587 2.690 . 0 0 "[ . 1 . 2]" 1
1498 1 88 LEU H 1 88 LEU HB3 . . 4.070 3.732 3.679 3.778 . 0 0 "[ . 1 . 2]" 1
1499 1 88 LEU H 1 88 LEU QD . . 3.940 3.289 3.173 3.409 . 0 0 "[ . 1 . 2]" 1
1500 1 88 LEU H 1 88 LEU HG . . 3.900 2.641 2.426 2.868 . 0 0 "[ . 1 . 2]" 1
1501 1 88 LEU HA 1 88 LEU QD . . 3.860 2.390 2.213 2.517 . 0 0 "[ . 1 . 2]" 1
1502 1 88 LEU HA 1 88 LEU HG . . 4.150 3.000 2.916 3.080 . 0 0 "[ . 1 . 2]" 1
1503 1 88 LEU HA 1 89 VAL H . . 3.040 2.150 2.139 2.163 . 0 0 "[ . 1 . 2]" 1
1504 1 88 LEU HA 1 89 VAL QG . . 3.870 3.711 3.478 3.822 . 0 0 "[ . 1 . 2]" 1
1505 1 88 LEU HB2 1 88 LEU QD . . 2.870 2.083 1.991 2.205 . 0 0 "[ . 1 . 2]" 1
1506 1 88 LEU HB2 1 89 VAL H . . 4.570 4.287 4.173 4.342 . 0 0 "[ . 1 . 2]" 1
1507 1 88 LEU HB3 1 89 VAL H . . 4.180 3.622 3.364 3.737 . 0 0 "[ . 1 . 2]" 1
1508 1 88 LEU QD 1 89 VAL H . . 4.630 3.940 3.705 4.029 . 0 0 "[ . 1 . 2]" 1
1509 1 89 VAL H 1 89 VAL HB . . 3.630 2.523 2.450 2.652 . 0 0 "[ . 1 . 2]" 1
1510 1 89 VAL H 1 89 VAL QG . . 3.340 2.434 2.152 2.703 . 0 0 "[ . 1 . 2]" 1
1511 1 89 VAL HB 1 90 ARG H . . 4.900 4.275 3.921 4.467 . 0 0 "[ . 1 . 2]" 1
1512 1 89 VAL HB 1 91 TRP HZ3 . . 4.650 3.843 3.378 4.193 . 0 0 "[ . 1 . 2]" 1
1513 1 89 VAL QG 1 90 ARG H . . 3.450 2.670 1.937 3.188 . 0 0 "[ . 1 . 2]" 1
1514 1 89 VAL QG 1 90 ARG HA . . 4.090 3.531 3.206 3.830 . 0 0 "[ . 1 . 2]" 1
1515 1 89 VAL QG 1 91 TRP HB3 . . 4.740 4.103 3.708 4.586 . 0 0 "[ . 1 . 2]" 1
1516 1 89 VAL QG 1 91 TRP HE3 . . 3.290 2.579 2.198 2.880 . 0 0 "[ . 1 . 2]" 1
1517 1 89 VAL QG 1 91 TRP HH2 . . 4.740 4.523 4.260 4.688 . 0 0 "[ . 1 . 2]" 1
1518 1 89 VAL QG 1 91 TRP HZ3 . . 3.440 2.472 2.169 2.757 . 0 0 "[ . 1 . 2]" 1
1519 1 90 ARG H 1 90 ARG HB3 . . 3.750 3.001 2.493 3.702 . 0 0 "[ . 1 . 2]" 1
1520 1 90 ARG H 1 90 ARG QG . . 4.520 3.806 2.183 4.251 . 0 0 "[ . 1 . 2]" 1
1521 1 90 ARG H 1 91 TRP H . . 4.860 4.397 4.227 4.491 . 0 0 "[ . 1 . 2]" 1
1522 1 90 ARG H 1 91 TRP HA . . 4.480 4.909 4.599 5.064 0.584 9 7 "[** . - +1 ** .* 2]" 1
1523 1 90 ARG HA 1 91 TRP HE3 . . 4.400 3.172 2.614 3.636 . 0 0 "[ . 1 . 2]" 1
1524 1 90 ARG HB2 1 90 ARG HD2 . . 4.130 3.046 2.081 3.722 . 0 0 "[ . 1 . 2]" 1
1525 1 90 ARG HB2 1 90 ARG HD3 . . 3.930 3.029 2.104 3.955 0.025 9 0 "[ . 1 . 2]" 1
1526 1 90 ARG HB2 1 91 TRP H . . 3.830 3.790 2.653 4.173 0.343 1 0 "[ . 1 . 2]" 1
1527 1 90 ARG HB3 1 90 ARG HD2 . . 3.750 3.096 2.106 4.207 0.457 10 0 "[ . 1 . 2]" 1
1528 1 90 ARG HB3 1 90 ARG HD3 . . 3.740 2.914 2.325 3.597 . 0 0 "[ . 1 . 2]" 1
1529 1 90 ARG HB3 1 91 TRP H . . 3.900 3.586 2.205 4.115 0.215 18 0 "[ . 1 . 2]" 1
1530 1 90 ARG QG 1 91 TRP H . . 5.070 2.609 1.799 4.077 . 0 0 "[ . 1 . 2]" 1
1531 1 91 TRP H 1 91 TRP HE3 . . 4.400 3.382 2.571 4.103 . 0 0 "[ . 1 . 2]" 1
1532 1 91 TRP H 1 92 SER H . . 4.480 4.338 4.160 4.458 . 0 0 "[ . 1 . 2]" 1
1533 1 91 TRP HA 1 91 TRP HE3 . . 4.930 4.353 3.926 4.587 . 0 0 "[ . 1 . 2]" 1
1534 1 91 TRP HA 1 92 SER H . . 3.350 2.297 2.188 2.587 . 0 0 "[ . 1 . 2]" 1
1535 1 91 TRP HA 1 92 SER HA . . 5.150 4.385 4.339 4.556 . 0 0 "[ . 1 . 2]" 1
1536 1 91 TRP HA 1 92 SER QB . . 4.860 4.026 3.860 4.094 . 0 0 "[ . 1 . 2]" 1
1537 1 91 TRP HB2 1 91 TRP HD1 . . 3.620 2.704 2.601 2.801 . 0 0 "[ . 1 . 2]" 1
1538 1 91 TRP HB2 1 92 SER H . . 3.880 2.750 2.050 3.082 . 0 0 "[ . 1 . 2]" 1
1539 1 91 TRP HB3 1 91 TRP HE3 . . 3.730 2.534 2.444 2.695 . 0 0 "[ . 1 . 2]" 1
1540 1 91 TRP HB3 1 92 SER H . . 4.340 3.958 3.467 4.121 . 0 0 "[ . 1 . 2]" 1
1541 1 91 TRP HD1 1 92 SER H . . 4.410 3.818 3.337 4.190 . 0 0 "[ . 1 . 2]" 1
1542 1 91 TRP HD1 1 92 SER HA . . 4.710 3.962 3.241 4.625 . 0 0 "[ . 1 . 2]" 1
1543 1 91 TRP HD1 1 92 SER QB . . 4.730 5.030 4.731 5.306 0.576 5 2 "[ - + 1 . 2]" 1
1544 1 92 SER H 1 92 SER QB . . 3.870 2.419 2.242 2.949 . 0 0 "[ . 1 . 2]" 1
1545 1 92 SER H 1 93 GLY H . . 5.050 4.174 2.428 4.584 . 0 0 "[ . 1 . 2]" 1
1546 1 92 SER QB 1 93 GLY H . . 5.030 3.509 2.222 4.024 . 0 0 "[ . 1 . 2]" 1
1547 1 93 GLY HA2 1 94 PRO QD . . 3.230 2.241 1.900 3.457 0.227 1 0 "[ . 1 . 2]" 1
1548 1 93 GLY HA2 1 94 PRO QG . . 5.080 4.106 3.800 5.225 0.145 1 0 "[ . 1 . 2]" 1
1549 1 93 GLY HA3 1 94 PRO QD . . 3.200 3.217 2.132 3.465 0.265 7 0 "[ . 1 . 2]" 1
1550 1 93 GLY HA3 1 94 PRO QG . . 4.990 4.971 4.047 5.204 0.214 7 0 "[ . 1 . 2]" 1
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