NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549656 |
2lqo   |
18322 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqo
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 1698
_Distance_constraint_stats_list.Viol_count 4788
_Distance_constraint_stats_list.Viol_total 21555.027
_Distance_constraint_stats_list.Viol_max 2.070
_Distance_constraint_stats_list.Viol_rms 0.1394
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0317
_Distance_constraint_stats_list.Viol_average_violations_only 0.2251
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 15.314 1.635 15 6 "[ * *. *-* + 2]"
1 3 THR 15.470 0.959 15 14 "[* * ***-** +*****]"
1 4 ALA 17.747 1.635 15 16 "[** ** ***-** +*****]"
1 5 ALA 1.498 0.379 9 0 "[ . 1 . 2]"
1 6 LEU 32.947 1.007 8 13 "[ * * *+*1** **** -*]"
1 7 THR 10.687 1.007 8 7 "[ * . *+ 1* - * *]"
1 8 ILE 28.508 0.576 9 1 "[ . +1 . 2]"
1 9 TYR 8.004 0.739 5 1 "[ + 1 . 2]"
1 10 THR 38.096 1.316 5 20 [****+****-**********]
1 11 THR 27.101 1.316 5 19 [****+***-1**********]
1 12 SER 20.716 1.481 20 8 "[* * * *1 .-** +]"
1 13 TRP 16.434 1.001 9 5 "[ * * +1 .- *]"
1 14 CYS 19.961 1.213 6 14 "[* ***+*- * **** * *]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 41.123 1.173 4 20 [***+*-**************]
1 17 CYS 13.282 1.032 9 11 "[ *****+*- * * * 2]"
1 18 LEU 43.046 2.001 7 13 "[ * ***+**** * - * *]"
1 19 ARG 79.636 2.001 7 20 [******+***-*********]
1 20 LEU 67.423 1.796 19 20 [**********-*******+*]
1 21 LYS 24.504 1.282 4 18 "[***+*-** * *********]"
1 22 THR 9.975 0.670 12 6 "[ - *. * 1 +* . * 2]"
1 23 ALA 33.558 0.913 11 13 "[ * *. ***1+** * -***]"
1 24 LEU 26.293 1.000 19 4 "[ * .* - . +2]"
1 25 THR 7.806 1.019 12 1 "[ . 1 + . 2]"
1 26 ALA 10.296 1.019 12 1 "[ . 1 + . 2]"
1 27 ASN 30.032 0.948 12 6 "[ -* . *1 + * *2]"
1 28 ARG 22.683 0.940 9 4 "[ * . +- * 2]"
1 29 ILE 23.834 1.000 19 2 "[ - . 1 . +2]"
1 30 ALA 3.751 0.434 3 0 "[ . 1 . 2]"
1 31 TYR 21.956 0.688 6 3 "[ .+ * . -2]"
1 32 ASP 8.080 0.348 4 0 "[ . 1 . 2]"
1 33 GLU 22.183 0.576 9 2 "[ . +1 . -2]"
1 34 VAL 7.827 0.371 17 0 "[ . 1 . 2]"
1 35 ASP 5.924 0.568 10 4 "[ . +* * - 2]"
1 36 ILE 31.105 1.044 5 14 "[ ***+** *1****.- * *]"
1 37 GLU 30.989 1.481 20 15 "[****** *1** *.-***+]"
1 38 HIS 14.889 1.464 15 7 "[* * .* *1 * + -2]"
1 39 ASN 24.574 1.464 15 7 "[* * .* * - + *2]"
1 40 ARG 2.624 0.298 8 0 "[ . 1 . 2]"
1 41 ALA 5.233 0.738 16 1 "[ . 1 .+ 2]"
1 42 ALA 12.023 0.562 7 3 "[ . + 1 . - *]"
1 43 ALA 0.891 0.215 20 0 "[ . 1 . 2]"
1 44 GLU 30.214 1.044 5 20 [****+**********-****]
1 45 PHE 8.704 0.857 12 2 "[ . 1 + . -]"
1 46 VAL 21.008 0.857 12 1 "[ . 1 + . 2]"
1 47 GLY 17.014 1.562 11 9 "[ * * *1+ *-* **]"
1 48 SER 14.519 0.737 12 12 "[* *******+ . -**]"
1 49 VAL 6.675 0.329 12 0 "[ . 1 . 2]"
1 50 ASN 61.896 1.608 12 20 [-**********+********]
1 51 GLY 14.387 1.461 8 7 "[ ** + ** .* -]"
1 52 GLY 8.943 0.907 16 7 "[ * -* ** .+ *]"
1 53 ASN 63.047 2.070 16 20 [******-********+****]
1 54 ARG 41.676 1.806 18 16 "[ * *** *******-*+**]"
1 55 THR 18.682 0.788 3 19 "[**+ **********-*****]"
1 56 VAL 21.383 0.788 3 19 "[-*+ ****************]"
1 57 PRO 47.442 1.213 6 20 [*****+*************-]
1 58 THR 36.885 1.608 12 20 [***********+-*******]
1 59 VAL 47.326 0.951 11 20 [**********+**-******]
1 60 LYS 23.971 1.260 5 6 "[ -+ * 1 * . **2]"
1 61 PHE 32.569 0.942 2 18 "[*+*********** **-* *]"
1 62 ALA 0.047 0.027 14 0 "[ . 1 . 2]"
1 63 ASP 0.838 0.179 12 0 "[ . 1 . 2]"
1 64 GLY 11.744 1.260 5 6 "[ -+ * 1 * . **2]"
1 65 SER 12.990 0.579 16 4 "[ - . * 1 * .+ 2]"
1 66 THR 19.183 0.942 2 9 "[ +**. ***1 * .*- 2]"
1 67 LEU 37.126 0.951 11 20 [**********+-********]
1 68 THR 32.855 2.070 16 19 "[***************+-* *]"
1 69 ASN 20.009 0.937 13 14 "[ **** ****+-. ****]"
1 70 PRO 8.799 0.573 5 1 "[ + 1 . 2]"
1 71 SER 32.404 1.311 7 12 "[ ** .*+ ***-**. ** 2]"
1 72 ALA 48.690 1.796 19 18 "[*** * **********-*+*]"
1 73 ASP 40.981 1.311 7 17 "[ **** +***- ********]"
1 74 GLU 26.221 0.998 8 5 "[ - .* + 1 * . * 2]"
1 75 VAL 16.522 0.464 8 0 "[ . 1 . 2]"
1 76 LYS 16.906 0.727 2 2 "[ + . 1 . - 2]"
1 77 ALA 5.013 0.244 11 0 "[ . 1 . 2]"
1 78 LYS 32.765 0.868 14 10 "[ *- * 1** +*** *2]"
1 79 LEU 8.768 0.429 15 0 "[ . 1 . 2]"
1 80 VAL 42.213 2.023 19 17 "[***** ** *-***.***+*]"
1 81 LYS 16.823 0.868 14 6 "[ *- * 1 +** 2]"
1 82 ILE 26.712 0.831 15 17 "[* *********** + *-**]"
1 83 ALA 14.579 1.996 1 5 "[+- . * . **2]"
1 84 GLY 18.185 1.496 12 11 "[* -* ***+ .****2]"
1 85 LEU 49.912 2.023 19 11 "[* -* **** .* *+*]"
1 86 GLU 50.915 1.572 8 19 "[***** *+************]"
1 87 HIS 8.173 1.286 17 6 "[ - . 1 ** * +* 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL HA 1 2 VAL QG 3.040 2.040 4.040 2.264 2.148 2.362 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL HA 1 3 THR H 2.130 . 3.130 2.205 1.801 3.511 0.381 11 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 THR MG 3.700 2.700 4.700 4.241 3.642 4.958 0.258 14 0 "[ . 1 . 2]" 1
4 1 2 VAL HB 1 3 THR H 3.390 2.390 4.390 3.828 1.855 4.551 0.535 11 1 "[ . 1+ . 2]" 1
5 1 2 VAL QG 1 3 THR H 4.070 3.070 4.430 3.260 2.323 3.749 0.747 15 3 "[ . *- + 2]" 1
6 1 2 VAL QG 1 4 ALA H 4.500 3.500 5.500 3.270 1.865 4.675 1.635 15 6 "[ - *. *** + 2]" 1
7 1 2 VAL QG 1 82 ILE HB 3.710 2.710 4.710 3.967 3.055 4.729 0.019 2 0 "[ . 1 . 2]" 1
8 1 2 VAL QG 1 83 ALA H 3.510 2.510 4.510 4.279 3.663 5.194 0.684 2 1 "[ + . 1 . 2]" 1
9 1 2 VAL QG 1 83 ALA MB 3.110 2.110 4.110 2.951 2.102 4.144 0.034 11 0 "[ . 1 . 2]" 1
10 1 3 THR H 1 3 THR HB 2.820 . 3.820 2.852 2.539 3.735 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR H 1 3 THR MG 3.150 2.150 4.150 2.589 1.910 3.607 0.240 8 0 "[ . 1 . 2]" 1
12 1 3 THR H 1 4 ALA H 1.800 . 2.800 2.229 1.914 2.654 . 0 0 "[ . 1 . 2]" 1
13 1 3 THR HA 1 3 THR MG 2.290 . 3.290 2.844 2.070 3.279 . 0 0 "[ . 1 . 2]" 1
14 1 3 THR HB 1 4 ALA H 2.420 . 3.420 3.613 2.262 4.379 0.959 15 13 "[* * **1-** +*****]" 1
15 1 3 THR MG 1 4 ALA H 3.080 2.080 4.080 2.983 2.024 4.141 0.061 2 0 "[ . 1 . 2]" 1
16 1 3 THR MG 1 4 ALA HA 3.980 2.980 4.980 4.190 3.770 4.974 . 0 0 "[ . 1 . 2]" 1
17 1 4 ALA H 1 4 ALA MB 1.820 . 2.820 2.465 2.313 2.596 . 0 0 "[ . 1 . 2]" 1
18 1 4 ALA HA 1 5 ALA H 1.880 . 2.880 2.195 2.093 2.427 . 0 0 "[ . 1 . 2]" 1
19 1 4 ALA HA 1 5 ALA MB 3.060 2.060 4.060 3.982 3.917 4.078 0.018 9 0 "[ . 1 . 2]" 1
20 1 4 ALA MB 1 5 ALA H 2.510 . 3.510 3.186 2.526 3.627 0.117 2 0 "[ . 1 . 2]" 1
21 1 4 ALA MB 1 32 ASP HB2 3.690 2.690 4.690 3.629 2.666 4.532 0.024 18 0 "[ . 1 . 2]" 1
22 1 4 ALA MB 1 32 ASP QB 2.960 . 3.960 3.252 2.242 3.970 0.010 15 0 "[ . 1 . 2]" 1
23 1 4 ALA MB 1 32 ASP HB3 3.690 2.690 4.690 3.719 2.411 4.631 0.279 18 0 "[ . 1 . 2]" 1
24 1 5 ALA H 1 5 ALA HA 1.930 . 2.930 2.861 2.786 2.952 0.022 11 0 "[ . 1 . 2]" 1
25 1 5 ALA H 1 5 ALA MB 1.940 . 2.940 2.247 2.188 2.368 . 0 0 "[ . 1 . 2]" 1
26 1 5 ALA H 1 6 LEU H 2.330 . 3.330 2.646 2.296 2.902 . 0 0 "[ . 1 . 2]" 1
27 1 5 ALA H 1 6 LEU HA 4.130 3.130 5.130 4.819 4.303 5.150 0.020 14 0 "[ . 1 . 2]" 1
28 1 5 ALA H 1 31 TYR HA 3.590 2.590 4.590 4.294 3.950 4.630 0.040 8 0 "[ . 1 . 2]" 1
29 1 5 ALA HA 1 61 PHE QD 4.420 3.420 5.420 5.268 4.778 5.454 0.034 3 0 "[ . 1 . 2]" 1
30 1 5 ALA HA 1 79 LEU QD 3.400 2.400 4.400 2.959 2.468 3.514 . 0 0 "[ . 1 . 2]" 1
31 1 5 ALA MB 1 6 LEU H 2.090 . 3.090 2.160 2.007 2.305 . 0 0 "[ . 1 . 2]" 1
32 1 5 ALA MB 1 6 LEU HA 3.950 2.950 4.950 4.196 4.135 4.251 . 0 0 "[ . 1 . 2]" 1
33 1 5 ALA MB 1 6 LEU QD 2.710 . 3.710 2.035 1.909 2.202 . 0 0 "[ . 1 . 2]" 1
34 1 5 ALA MB 1 29 ILE MG 3.340 2.340 4.340 3.783 3.199 4.336 . 0 0 "[ . 1 . 2]" 1
35 1 5 ALA MB 1 30 ALA H 3.640 2.640 4.640 4.296 3.966 5.019 0.379 9 0 "[ . 1 . 2]" 1
36 1 5 ALA MB 1 31 TYR HA 3.630 2.630 4.630 2.970 2.606 3.242 0.024 13 0 "[ . 1 . 2]" 1
37 1 5 ALA MB 1 31 TYR QD 4.500 3.500 5.500 5.490 5.238 5.581 0.081 8 0 "[ . 1 . 2]" 1
38 1 5 ALA MB 1 61 PHE QD 4.110 3.110 5.110 4.640 4.215 4.977 . 0 0 "[ . 1 . 2]" 1
39 1 5 ALA MB 1 79 LEU QD 2.290 . 3.290 1.901 1.783 2.384 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU H 1 6 LEU HB2 3.140 2.140 4.140 3.973 3.923 4.041 . 0 0 "[ . 1 . 2]" 1
41 1 6 LEU H 1 6 LEU HB3 2.480 . 3.480 3.506 3.417 3.665 0.185 7 0 "[ . 1 . 2]" 1
42 1 6 LEU H 1 6 LEU QD 3.660 2.660 3.900 2.194 2.066 2.312 0.594 12 6 "[ * * 1 + *.* -2]" 1
43 1 6 LEU H 1 7 THR H 3.500 2.500 4.500 4.110 4.036 4.206 . 0 0 "[ . 1 . 2]" 1
44 1 6 LEU H 1 31 TYR HA 2.770 . 3.770 2.987 2.751 3.224 . 0 0 "[ . 1 . 2]" 1
45 1 6 LEU H 1 31 TYR HB2 3.720 2.720 4.720 4.562 4.213 4.901 0.181 19 0 "[ . 1 . 2]" 1
46 1 6 LEU H 1 32 ASP H 3.190 2.190 4.190 3.426 3.084 3.734 . 0 0 "[ . 1 . 2]" 1
47 1 6 LEU H 1 32 ASP QB 3.660 2.660 4.660 3.812 3.196 4.416 . 0 0 "[ . 1 . 2]" 1
48 1 6 LEU H 1 79 LEU QD 3.750 2.750 4.750 4.047 3.848 4.285 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU HA 1 6 LEU QD 3.510 2.510 3.570 3.334 3.241 3.396 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU HA 1 7 THR H 1.820 . 2.820 2.106 2.031 2.224 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU HA 1 32 ASP H 4.500 3.500 5.500 5.029 4.800 5.292 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU HA 1 61 PHE HA 3.260 2.260 4.260 2.236 2.187 2.348 0.073 12 0 "[ . 1 . 2]" 1
53 1 6 LEU HA 1 62 ALA H 3.420 2.420 4.420 3.536 3.280 4.098 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU HB2 1 7 THR H 2.830 . 3.830 2.956 2.693 3.126 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU HB2 1 7 THR HB 4.500 3.500 5.500 5.379 5.251 5.514 0.014 9 0 "[ . 1 . 2]" 1
56 1 6 LEU HB2 1 32 ASP H 4.340 3.340 5.340 5.227 5.015 5.570 0.230 17 0 "[ . 1 . 2]" 1
57 1 6 LEU HB2 1 59 VAL QG 3.140 2.140 4.140 2.902 2.073 3.499 0.067 5 0 "[ . 1 . 2]" 1
58 1 6 LEU HB2 1 61 PHE HA 3.770 2.770 4.770 3.110 2.724 3.581 0.046 20 0 "[ . 1 . 2]" 1
59 1 6 LEU HB2 1 61 PHE QE 3.580 2.580 4.580 4.305 3.874 4.601 0.021 6 0 "[ . 1 . 2]" 1
60 1 6 LEU HB3 1 7 THR H 3.040 2.040 4.040 3.969 3.853 4.057 0.017 9 0 "[ . 1 . 2]" 1
61 1 6 LEU HB3 1 59 VAL QG 4.120 3.120 5.120 3.847 3.169 4.368 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU HB3 1 61 PHE QD 3.320 2.320 4.320 2.752 2.224 3.268 0.096 15 0 "[ . 1 . 2]" 1
63 1 6 LEU QD 1 7 THR H . 3.380 4.120 3.958 3.322 4.304 0.184 16 0 "[ . 1 . 2]" 1
64 1 6 LEU QD 1 24 LEU QD 2.920 . 3.920 2.348 1.933 2.672 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QD 1 31 TYR HA 3.420 2.420 4.420 2.462 2.330 2.720 0.090 7 0 "[ . 1 . 2]" 1
66 1 6 LEU QD 1 31 TYR HB2 3.720 2.720 4.720 2.882 2.586 3.183 0.134 15 0 "[ . 1 . 2]" 1
67 1 6 LEU QD 1 31 TYR HB3 3.630 2.630 3.990 2.367 2.168 2.700 0.462 12 0 "[ . 1 . 2]" 1
68 1 6 LEU QD 1 31 TYR QD 3.960 2.960 4.290 3.677 3.420 3.893 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU QD 1 31 TYR QE 4.440 3.440 5.440 5.199 4.912 5.432 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU QD 1 32 ASP H 3.870 2.870 4.170 3.464 2.851 3.962 0.019 7 0 "[ . 1 . 2]" 1
71 1 6 LEU QD 1 59 VAL H 4.440 3.440 5.440 5.326 4.956 5.969 0.529 9 1 "[ . +1 . 2]" 1
72 1 6 LEU QD 1 59 VAL HA 3.730 2.730 4.730 4.037 3.564 4.800 0.070 9 0 "[ . 1 . 2]" 1
73 1 6 LEU QD 1 59 VAL QG 1.710 . 2.710 1.958 1.764 2.213 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU QD 1 60 LYS H 3.650 2.650 4.650 4.485 3.901 5.100 0.450 16 0 "[ . 1 . 2]" 1
75 1 6 LEU QD 1 61 PHE HA 3.950 2.950 4.280 4.070 3.765 4.294 0.014 13 0 "[ . 1 . 2]" 1
76 1 6 LEU QD 1 61 PHE QD 3.300 2.300 3.710 3.439 3.005 3.722 0.012 18 0 "[ . 1 . 2]" 1
77 1 6 LEU QD 1 61 PHE QE 3.000 . 4.000 3.097 2.422 3.453 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU QD 1 75 VAL HB 3.840 2.840 4.840 2.910 2.723 3.294 0.117 4 0 "[ . 1 . 2]" 1
79 1 6 LEU QD 1 75 VAL MG1 2.210 . 3.210 2.843 2.374 3.230 0.020 17 0 "[ . 1 . 2]" 1
80 1 6 LEU QD 1 79 LEU HA 4.130 3.130 5.130 4.695 4.299 5.115 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU QD 1 79 LEU QD 2.210 . 3.210 2.059 1.807 2.383 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU QD 1 79 LEU HG 4.410 3.410 5.410 4.423 4.107 4.828 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU HG 1 7 THR H 3.330 2.330 4.330 4.625 4.057 5.337 1.007 8 7 "[ * . *+ 1* - * *]" 1
84 1 6 LEU HG 1 31 TYR HA 4.100 3.100 5.100 3.799 3.056 5.151 0.051 15 0 "[ . 1 . 2]" 1
85 1 6 LEU HG 1 59 VAL QG 4.000 3.000 5.000 3.471 2.972 3.898 0.028 8 0 "[ . 1 . 2]" 1
86 1 7 THR H 1 7 THR HB 2.470 . 3.470 2.572 2.503 2.647 . 0 0 "[ . 1 . 2]" 1
87 1 7 THR H 1 7 THR MG 3.590 2.590 4.590 3.796 3.772 3.862 . 0 0 "[ . 1 . 2]" 1
88 1 7 THR H 1 8 ILE H 3.630 2.630 4.630 4.278 4.153 4.375 . 0 0 "[ . 1 . 2]" 1
89 1 7 THR H 1 59 VAL QG 4.390 3.390 4.620 4.181 3.105 4.790 0.285 5 0 "[ . 1 . 2]" 1
90 1 7 THR H 1 60 LYS H 2.710 . 3.710 2.933 2.661 3.332 . 0 0 "[ . 1 . 2]" 1
91 1 7 THR H 1 60 LYS HB2 4.210 3.210 5.210 4.569 3.484 4.959 . 0 0 "[ . 1 . 2]" 1
92 1 7 THR H 1 60 LYS HB3 3.160 2.160 4.160 3.253 2.971 4.092 . 0 0 "[ . 1 . 2]" 1
93 1 7 THR H 1 60 LYS QE 4.340 3.340 5.340 4.169 3.595 5.372 0.032 6 0 "[ . 1 . 2]" 1
94 1 7 THR H 1 61 PHE H 4.290 3.290 5.290 4.739 4.616 4.912 . 0 0 "[ . 1 . 2]" 1
95 1 7 THR HA 1 7 THR MG 2.100 . 3.100 2.325 2.261 2.445 . 0 0 "[ . 1 . 2]" 1
96 1 7 THR HA 1 8 ILE H 1.860 . 2.860 2.082 2.022 2.133 . 0 0 "[ . 1 . 2]" 1
97 1 7 THR HA 1 8 ILE MD 4.500 3.500 5.500 5.057 4.867 5.245 . 0 0 "[ . 1 . 2]" 1
98 1 7 THR HA 1 8 ILE HG13 3.820 2.820 4.820 3.903 3.653 4.200 . 0 0 "[ . 1 . 2]" 1
99 1 7 THR HA 1 32 ASP H 2.560 . 3.560 2.996 2.669 3.583 0.023 13 0 "[ . 1 . 2]" 1
100 1 7 THR HA 1 32 ASP QB 2.420 . 3.420 2.441 2.138 2.821 . 0 0 "[ . 1 . 2]" 1
101 1 7 THR HB 1 8 ILE H 3.700 2.700 4.700 4.137 4.025 4.289 . 0 0 "[ . 1 . 2]" 1
102 1 7 THR HB 1 9 TYR QE 3.250 2.250 4.250 3.828 2.980 4.264 0.014 5 0 "[ . 1 . 2]" 1
103 1 7 THR HB 1 34 VAL MG1 3.730 2.730 4.730 4.337 4.052 4.667 . 0 0 "[ . 1 . 2]" 1
104 1 7 THR HB 1 60 LYS H 3.110 2.110 4.110 3.393 2.934 3.793 . 0 0 "[ . 1 . 2]" 1
105 1 7 THR HB 1 60 LYS HB2 3.170 2.170 4.170 3.790 2.326 4.178 0.008 15 0 "[ . 1 . 2]" 1
106 1 7 THR HB 1 60 LYS HB3 3.550 2.550 4.550 2.568 2.240 3.620 0.310 1 0 "[ . 1 . 2]" 1
107 1 7 THR HB 1 60 LYS QE 3.500 2.500 4.500 2.893 2.450 4.471 0.050 1 0 "[ . 1 . 2]" 1
108 1 7 THR MG 1 8 ILE H 2.130 . 3.130 2.806 2.570 3.101 . 0 0 "[ . 1 . 2]" 1
109 1 7 THR MG 1 8 ILE HA 3.920 2.920 4.920 4.155 3.942 4.327 . 0 0 "[ . 1 . 2]" 1
110 1 7 THR MG 1 9 TYR QD 3.620 2.620 4.620 3.775 3.288 4.068 . 0 0 "[ . 1 . 2]" 1
111 1 7 THR MG 1 9 TYR QE 2.620 . 3.620 3.210 2.562 3.600 . 0 0 "[ . 1 . 2]" 1
112 1 7 THR MG 1 32 ASP H 4.000 3.000 5.000 4.529 4.084 5.189 0.189 13 0 "[ . 1 . 2]" 1
113 1 7 THR MG 1 32 ASP HB2 3.400 2.400 4.400 4.076 3.009 4.443 0.043 19 0 "[ . 1 . 2]" 1
114 1 7 THR MG 1 32 ASP QB 2.690 . 3.690 2.875 2.430 3.291 . 0 0 "[ . 1 . 2]" 1
115 1 7 THR MG 1 32 ASP HB3 3.400 2.400 4.400 2.972 2.521 3.610 . 0 0 "[ . 1 . 2]" 1
116 1 7 THR MG 1 33 GLU HA 3.410 2.410 4.410 3.396 2.842 4.009 . 0 0 "[ . 1 . 2]" 1
117 1 7 THR MG 1 34 VAL HB 2.960 . 3.960 3.368 3.023 3.665 . 0 0 "[ . 1 . 2]" 1
118 1 7 THR MG 1 60 LYS H 4.150 3.150 5.150 4.356 4.181 4.557 . 0 0 "[ . 1 . 2]" 1
119 1 7 THR MG 1 60 LYS QE 4.030 3.030 5.030 3.696 3.197 4.977 . 0 0 "[ . 1 . 2]" 1
120 1 8 ILE H 1 8 ILE HB 2.530 . 3.530 2.349 2.260 2.420 . 0 0 "[ . 1 . 2]" 1
121 1 8 ILE H 1 8 ILE MD 3.600 2.600 4.600 3.776 3.637 3.940 . 0 0 "[ . 1 . 2]" 1
122 1 8 ILE H 1 8 ILE HG12 3.390 2.390 4.390 3.826 3.723 3.945 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE H 1 8 ILE HG13 2.740 . 3.740 2.644 2.509 2.832 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE H 1 9 TYR H 3.720 2.720 4.720 4.384 4.278 4.498 . 0 0 "[ . 1 . 2]" 1
125 1 8 ILE H 1 9 TYR HA 4.280 3.280 5.280 5.219 5.112 5.374 0.094 5 0 "[ . 1 . 2]" 1
126 1 8 ILE H 1 32 ASP H 3.290 2.290 4.290 3.640 3.337 3.830 . 0 0 "[ . 1 . 2]" 1
127 1 8 ILE H 1 32 ASP HB2 4.320 3.320 5.320 5.002 3.768 5.638 0.318 4 0 "[ . 1 . 2]" 1
128 1 8 ILE H 1 32 ASP QB 3.450 2.450 4.450 3.840 3.552 4.129 . 0 0 "[ . 1 . 2]" 1
129 1 8 ILE H 1 32 ASP HB3 4.320 3.320 5.320 4.142 3.670 4.586 . 0 0 "[ . 1 . 2]" 1
130 1 8 ILE H 1 33 GLU H 3.780 2.780 4.780 4.515 4.334 4.697 . 0 0 "[ . 1 . 2]" 1
131 1 8 ILE H 1 33 GLU HA 2.670 . 3.670 2.498 2.222 2.759 . 0 0 "[ . 1 . 2]" 1
132 1 8 ILE H 1 33 GLU QB 4.030 3.030 5.030 3.868 3.422 4.707 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE H 1 34 VAL H 2.710 . 3.710 3.874 3.674 4.081 0.371 17 0 "[ . 1 . 2]" 1
134 1 8 ILE H 1 59 VAL QG 4.210 3.210 5.210 4.276 3.806 4.516 . 0 0 "[ . 1 . 2]" 1
135 1 8 ILE H 1 60 LYS H 4.490 3.490 5.490 4.801 4.677 4.912 . 0 0 "[ . 1 . 2]" 1
136 1 8 ILE HA 1 8 ILE MD 3.390 2.390 4.390 3.818 3.783 3.861 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE HA 1 8 ILE MG 2.430 . 3.430 2.514 2.412 2.596 . 0 0 "[ . 1 . 2]" 1
138 1 8 ILE HA 1 9 TYR H 1.990 . 2.990 2.097 2.039 2.150 . 0 0 "[ . 1 . 2]" 1
139 1 8 ILE HA 1 9 TYR QD 3.790 2.790 4.790 4.461 3.884 4.767 . 0 0 "[ . 1 . 2]" 1
140 1 8 ILE HA 1 33 GLU HA 3.800 2.800 4.800 4.589 4.402 4.803 0.003 10 0 "[ . 1 . 2]" 1
141 1 8 ILE HA 1 57 PRO QB 4.500 3.500 5.500 4.755 4.412 5.127 . 0 0 "[ . 1 . 2]" 1
142 1 8 ILE HA 1 59 VAL H 4.220 3.220 5.220 4.901 4.695 5.057 . 0 0 "[ . 1 . 2]" 1
143 1 8 ILE HA 1 59 VAL QG 3.800 2.800 4.800 2.813 2.743 3.144 0.057 1 0 "[ . 1 . 2]" 1
144 1 8 ILE HA 1 60 LYS H 3.080 2.080 4.080 3.675 3.248 4.033 . 0 0 "[ . 1 . 2]" 1
145 1 8 ILE HB 1 9 TYR H 3.350 2.350 4.350 4.297 4.158 4.437 0.087 6 0 "[ . 1 . 2]" 1
146 1 8 ILE HB 1 31 TYR QD 3.380 2.380 4.380 3.760 3.378 4.099 . 0 0 "[ . 1 . 2]" 1
147 1 8 ILE HB 1 32 ASP H 4.190 3.190 5.190 4.853 4.548 5.143 . 0 0 "[ . 1 . 2]" 1
148 1 8 ILE HB 1 33 GLU H 4.190 3.190 5.190 4.825 4.691 4.974 . 0 0 "[ . 1 . 2]" 1
149 1 8 ILE HB 1 33 GLU HA 3.490 2.490 4.490 2.456 2.403 2.512 0.087 7 0 "[ . 1 . 2]" 1
150 1 8 ILE HB 1 33 GLU QB 3.580 2.580 4.580 2.645 2.013 3.683 0.567 9 1 "[ . +1 . 2]" 1
151 1 8 ILE HB 1 34 VAL H 3.080 2.080 4.080 3.895 3.685 4.123 0.043 17 0 "[ . 1 . 2]" 1
152 1 8 ILE MD 1 8 ILE MG 1.830 . 2.830 1.891 1.827 1.925 . 0 0 "[ . 1 . 2]" 1
153 1 8 ILE MD 1 10 THR MG 3.420 2.420 4.420 4.036 3.723 4.363 . 0 0 "[ . 1 . 2]" 1
154 1 8 ILE MD 1 20 LEU QD 2.070 . 3.070 2.589 2.204 3.100 0.030 18 0 "[ . 1 . 2]" 1
155 1 8 ILE MD 1 21 LYS H 4.060 3.060 5.060 4.774 4.374 5.318 0.258 6 0 "[ . 1 . 2]" 1
156 1 8 ILE MD 1 21 LYS HA 3.680 2.680 4.680 3.826 3.344 4.336 . 0 0 "[ . 1 . 2]" 1
157 1 8 ILE MD 1 21 LYS QB 4.070 3.070 5.070 4.856 4.400 5.121 0.051 6 0 "[ . 1 . 2]" 1
158 1 8 ILE MD 1 21 LYS QE 3.570 2.570 4.570 2.780 2.489 3.135 0.081 6 0 "[ . 1 . 2]" 1
159 1 8 ILE MD 1 21 LYS HG2 3.740 2.740 4.740 4.512 4.169 4.741 0.001 13 0 "[ . 1 . 2]" 1
160 1 8 ILE MD 1 24 LEU HB3 4.500 3.500 5.500 4.606 4.420 4.763 . 0 0 "[ . 1 . 2]" 1
161 1 8 ILE MD 1 24 LEU QD 2.160 . 3.160 1.894 1.739 2.009 . 0 0 "[ . 1 . 2]" 1
162 1 8 ILE MD 1 31 TYR HB3 3.450 2.450 4.450 3.501 3.127 4.001 . 0 0 "[ . 1 . 2]" 1
163 1 8 ILE MD 1 31 TYR QD 3.060 2.060 4.060 2.395 2.184 2.632 . 0 0 "[ . 1 . 2]" 1
164 1 8 ILE MD 1 31 TYR QE 3.680 2.680 4.680 3.203 2.671 3.759 0.009 4 0 "[ . 1 . 2]" 1
165 1 8 ILE MD 1 32 ASP HA 4.500 3.500 5.500 5.392 5.049 5.520 0.020 4 0 "[ . 1 . 2]" 1
166 1 8 ILE MD 1 57 PRO QB 4.500 3.500 5.500 4.282 3.743 5.005 . 0 0 "[ . 1 . 2]" 1
167 1 8 ILE MD 1 59 VAL HA 4.500 3.500 5.500 5.130 4.879 5.378 . 0 0 "[ . 1 . 2]" 1
168 1 8 ILE MD 1 59 VAL QG 2.510 . 3.510 3.278 3.080 3.531 0.021 16 0 "[ . 1 . 2]" 1
169 1 8 ILE HG12 1 8 ILE MG 2.370 . 3.370 2.420 2.301 2.474 . 0 0 "[ . 1 . 2]" 1
170 1 8 ILE HG12 1 9 TYR H 3.190 2.190 4.190 4.273 4.108 4.464 0.274 7 0 "[ . 1 . 2]" 1
171 1 8 ILE HG12 1 21 LYS QE 4.030 3.030 5.030 5.032 4.893 5.118 0.088 5 0 "[ . 1 . 2]" 1
172 1 8 ILE HG12 1 59 VAL H 4.500 3.500 5.500 5.524 5.325 5.815 0.315 6 0 "[ . 1 . 2]" 1
173 1 8 ILE HG13 1 9 TYR H 4.000 3.000 5.000 4.952 4.854 5.021 0.021 17 0 "[ . 1 . 2]" 1
174 1 8 ILE HG13 1 24 LEU QD 3.660 2.660 4.660 3.594 3.396 3.803 . 0 0 "[ . 1 . 2]" 1
175 1 8 ILE HG13 1 31 TYR QD 3.610 2.610 4.610 3.668 3.236 4.122 . 0 0 "[ . 1 . 2]" 1
176 1 8 ILE HG13 1 32 ASP H 4.370 3.370 5.370 3.866 3.513 4.269 . 0 0 "[ . 1 . 2]" 1
177 1 8 ILE HG13 1 33 GLU QB 4.500 3.500 5.500 4.375 4.020 5.613 0.113 17 0 "[ . 1 . 2]" 1
178 1 8 ILE HG13 1 59 VAL HA 3.750 2.750 4.750 4.357 4.097 4.586 . 0 0 "[ . 1 . 2]" 1
179 1 8 ILE HG13 1 59 VAL HB 3.910 2.910 4.910 4.455 3.867 4.788 . 0 0 "[ . 1 . 2]" 1
180 1 8 ILE MG 1 9 TYR H 2.710 . 3.710 2.828 2.526 3.132 . 0 0 "[ . 1 . 2]" 1
181 1 8 ILE MG 1 9 TYR HA 4.200 3.200 5.200 3.574 3.468 3.709 . 0 0 "[ . 1 . 2]" 1
182 1 8 ILE MG 1 10 THR H 3.760 2.760 4.760 3.494 3.042 3.815 . 0 0 "[ . 1 . 2]" 1
183 1 8 ILE MG 1 10 THR MG 1.660 . 2.660 2.041 1.880 2.321 . 0 0 "[ . 1 . 2]" 1
184 1 8 ILE MG 1 20 LEU QB 4.110 3.110 5.110 4.216 3.717 4.868 . 0 0 "[ . 1 . 2]" 1
185 1 8 ILE MG 1 21 LYS QE 3.730 2.730 4.730 2.763 2.627 3.256 0.103 10 0 "[ . 1 . 2]" 1
186 1 8 ILE MG 1 31 TYR QD 4.280 3.280 5.280 4.555 4.303 4.856 . 0 0 "[ . 1 . 2]" 1
187 1 8 ILE MG 1 31 TYR QE 4.500 3.500 5.500 4.895 4.408 5.512 0.012 7 0 "[ . 1 . 2]" 1
188 1 8 ILE MG 1 33 GLU H 4.500 3.500 5.500 5.811 5.642 5.982 0.482 12 0 "[ . 1 . 2]" 1
189 1 8 ILE MG 1 33 GLU HA 2.520 . 3.520 3.625 3.580 3.655 0.135 12 0 "[ . 1 . 2]" 1
190 1 8 ILE MG 1 33 GLU QB . 3.290 4.190 3.190 2.714 3.794 0.576 9 1 "[ . +1 . 2]" 1
191 1 8 ILE MG 1 57 PRO QB 3.130 2.130 3.900 2.754 2.445 3.119 . 0 0 "[ . 1 . 2]" 1
192 1 8 ILE MG 1 57 PRO HG3 3.680 2.680 4.680 4.642 4.223 5.068 0.388 5 0 "[ . 1 . 2]" 1
193 1 8 ILE MG 1 58 THR H 3.800 2.800 4.800 3.770 3.415 4.189 . 0 0 "[ . 1 . 2]" 1
194 1 8 ILE MG 1 59 VAL H 4.500 3.500 5.500 5.476 5.089 5.872 0.372 6 0 "[ . 1 . 2]" 1
195 1 8 ILE MG 1 59 VAL HA 4.260 3.260 5.260 4.230 3.777 4.644 . 0 0 "[ . 1 . 2]" 1
196 1 9 TYR H 1 9 TYR HB2 2.700 . 3.700 2.476 2.418 2.534 . 0 0 "[ . 1 . 2]" 1
197 1 9 TYR H 1 9 TYR HB3 3.020 2.020 4.020 3.659 3.613 3.693 . 0 0 "[ . 1 . 2]" 1
198 1 9 TYR H 1 9 TYR QD 2.880 . 3.880 3.192 2.859 3.517 . 0 0 "[ . 1 . 2]" 1
199 1 9 TYR H 1 9 TYR QE 4.450 3.450 5.450 4.899 4.729 5.150 . 0 0 "[ . 1 . 2]" 1
200 1 9 TYR H 1 10 THR H 3.440 2.440 4.440 4.253 4.085 4.351 . 0 0 "[ . 1 . 2]" 1
201 1 9 TYR H 1 36 ILE MG 3.920 2.920 4.920 4.687 4.393 4.999 0.079 6 0 "[ . 1 . 2]" 1
202 1 9 TYR H 1 46 VAL QG 3.730 2.730 4.730 4.112 3.755 4.325 . 0 0 "[ . 1 . 2]" 1
203 1 9 TYR H 1 57 PRO HA 3.900 2.900 4.900 4.441 4.212 4.732 . 0 0 "[ . 1 . 2]" 1
204 1 9 TYR H 1 57 PRO QB 3.750 2.750 4.750 4.390 4.009 4.646 . 0 0 "[ . 1 . 2]" 1
205 1 9 TYR H 1 58 THR H 2.800 . 3.800 2.953 2.736 3.237 . 0 0 "[ . 1 . 2]" 1
206 1 9 TYR H 1 58 THR HB 3.920 2.920 4.920 3.941 3.720 4.377 . 0 0 "[ . 1 . 2]" 1
207 1 9 TYR H 1 58 THR MG 4.120 3.120 5.120 4.761 4.585 5.041 . 0 0 "[ . 1 . 2]" 1
208 1 9 TYR H 1 59 VAL HA 3.170 2.170 4.170 3.258 2.961 3.446 . 0 0 "[ . 1 . 2]" 1
209 1 9 TYR H 1 59 VAL QG 3.820 2.820 4.820 4.075 3.901 4.502 . 0 0 "[ . 1 . 2]" 1
210 1 9 TYR HA 1 9 TYR QD 2.840 . 3.840 2.461 2.163 2.774 . 0 0 "[ . 1 . 2]" 1
211 1 9 TYR HA 1 10 THR H 1.860 . 2.860 2.133 2.054 2.234 . 0 0 "[ . 1 . 2]" 1
212 1 9 TYR HA 1 34 VAL H 3.240 2.240 4.240 3.688 3.431 4.014 . 0 0 "[ . 1 . 2]" 1
213 1 9 TYR HA 1 34 VAL MG1 4.460 3.460 5.460 3.389 3.348 3.448 0.112 7 0 "[ . 1 . 2]" 1
214 1 9 TYR HA 1 36 ILE MG 3.280 2.280 4.280 2.685 2.488 2.928 . 0 0 "[ . 1 . 2]" 1
215 1 9 TYR HA 1 46 VAL QG 4.500 3.500 4.610 3.983 3.705 4.213 . 0 0 "[ . 1 . 2]" 1
216 1 9 TYR HB2 1 10 THR H 3.590 2.590 4.590 4.321 4.153 4.414 . 0 0 "[ . 1 . 2]" 1
217 1 9 TYR HB2 1 34 VAL MG1 4.230 3.230 5.230 5.224 5.123 5.289 0.059 16 0 "[ . 1 . 2]" 1
218 1 9 TYR HB2 1 36 ILE MG 2.750 . 3.750 3.403 3.140 3.717 . 0 0 "[ . 1 . 2]" 1
219 1 9 TYR HB2 1 46 VAL HB 3.060 2.060 4.060 2.685 2.193 4.055 . 0 0 "[ . 1 . 2]" 1
220 1 9 TYR HB2 1 46 VAL QG 2.560 . 3.560 2.365 1.884 2.541 . 0 0 "[ . 1 . 2]" 1
221 1 9 TYR HB2 1 58 THR H 2.900 . 3.900 2.909 2.652 3.167 . 0 0 "[ . 1 . 2]" 1
222 1 9 TYR HB2 1 58 THR HB 3.160 2.160 4.160 2.713 2.416 3.091 . 0 0 "[ . 1 . 2]" 1
223 1 9 TYR HB2 1 58 THR MG 3.470 2.470 4.470 4.206 3.904 4.513 0.043 10 0 "[ . 1 . 2]" 1
224 1 9 TYR HB3 1 10 THR H 3.220 2.220 4.220 3.555 3.286 3.789 . 0 0 "[ . 1 . 2]" 1
225 1 9 TYR HB3 1 36 ILE MG 2.420 . 3.420 2.008 1.799 2.281 . 0 0 "[ . 1 . 2]" 1
226 1 9 TYR HB3 1 46 VAL QG 2.800 . 3.800 2.256 2.060 2.453 . 0 0 "[ . 1 . 2]" 1
227 1 9 TYR HB3 1 58 THR H 3.690 2.690 4.690 4.200 3.997 4.540 . 0 0 "[ . 1 . 2]" 1
228 1 9 TYR HB3 1 58 THR HB 4.050 3.050 5.050 4.213 3.807 4.585 . 0 0 "[ . 1 . 2]" 1
229 1 9 TYR QD 1 10 THR H 3.690 2.690 4.690 4.096 3.799 4.502 . 0 0 "[ . 1 . 2]" 1
230 1 9 TYR QD 1 34 VAL MG1 3.050 2.050 4.050 2.417 2.136 2.710 . 0 0 "[ . 1 . 2]" 1
231 1 9 TYR QD 1 36 ILE H 4.170 3.170 5.170 4.927 4.585 5.305 0.135 12 0 "[ . 1 . 2]" 1
232 1 9 TYR QD 1 36 ILE MG 2.270 . 3.270 2.412 2.000 3.123 . 0 0 "[ . 1 . 2]" 1
233 1 9 TYR QD 1 42 ALA HA 4.370 3.370 5.370 4.659 3.916 5.098 . 0 0 "[ . 1 . 2]" 1
234 1 9 TYR QD 1 42 ALA MB 2.180 . 3.180 2.571 1.990 3.022 . 0 0 "[ . 1 . 2]" 1
235 1 9 TYR QD 1 45 PHE QD 3.200 2.200 4.200 3.401 3.061 3.708 . 0 0 "[ . 1 . 2]" 1
236 1 9 TYR QD 1 46 VAL QG 2.920 . 3.340 3.229 2.079 3.347 0.007 5 0 "[ . 1 . 2]" 1
237 1 9 TYR QD 1 49 VAL MG2 3.630 2.630 4.630 4.350 4.075 4.663 0.033 9 0 "[ . 1 . 2]" 1
238 1 9 TYR QD 1 58 THR HB 3.160 2.160 4.160 2.946 2.601 3.250 . 0 0 "[ . 1 . 2]" 1
239 1 9 TYR QD 1 58 THR MG 2.750 . 3.750 3.564 3.310 3.689 . 0 0 "[ . 1 . 2]" 1
240 1 9 TYR QD 1 59 VAL HA 3.750 2.750 4.750 4.124 3.354 4.763 0.013 12 0 "[ . 1 . 2]" 1
241 1 9 TYR QD 1 60 LYS HB2 3.590 2.590 4.590 3.409 2.681 4.659 0.069 5 0 "[ . 1 . 2]" 1
242 1 9 TYR QD 1 66 THR MG 3.590 2.590 4.590 3.675 3.265 4.028 . 0 0 "[ . 1 . 2]" 1
243 1 9 TYR QE 1 34 VAL HB 3.970 2.970 4.970 4.908 4.663 5.025 0.055 7 0 "[ . 1 . 2]" 1
244 1 9 TYR QE 1 34 VAL MG1 2.690 . 3.690 2.334 2.186 2.445 . 0 0 "[ . 1 . 2]" 1
245 1 9 TYR QE 1 34 VAL MG2 3.060 2.060 4.060 4.079 3.961 4.127 0.067 14 0 "[ . 1 . 2]" 1
246 1 9 TYR QE 1 36 ILE MG 3.740 2.740 4.740 4.049 3.714 4.685 . 0 0 "[ . 1 . 2]" 1
247 1 9 TYR QE 1 39 ASN HB2 4.460 3.460 5.460 5.092 4.521 5.521 0.061 15 0 "[ . 1 . 2]" 1
248 1 9 TYR QE 1 42 ALA HA 3.680 2.680 4.680 3.992 3.085 4.688 0.008 7 0 "[ . 1 . 2]" 1
249 1 9 TYR QE 1 42 ALA MB 2.430 . 3.430 2.393 2.096 3.235 . 0 0 "[ . 1 . 2]" 1
250 1 9 TYR QE 1 45 PHE QE 2.610 . 3.610 2.347 2.021 2.771 . 0 0 "[ . 1 . 2]" 1
251 1 9 TYR QE 1 46 VAL QG 3.430 2.430 4.430 4.468 3.561 4.576 0.146 15 0 "[ . 1 . 2]" 1
252 1 9 TYR QE 1 49 VAL MG2 4.500 3.500 5.500 5.006 4.534 5.518 0.018 4 0 "[ . 1 . 2]" 1
253 1 9 TYR QE 1 58 THR MG 4.020 3.020 5.020 4.714 4.377 5.040 0.020 16 0 "[ . 1 . 2]" 1
254 1 9 TYR QE 1 60 LYS H 3.710 2.710 4.710 3.970 3.231 4.559 . 0 0 "[ . 1 . 2]" 1
255 1 9 TYR QE 1 60 LYS HA 4.100 3.100 5.100 4.497 4.262 4.776 . 0 0 "[ . 1 . 2]" 1
256 1 9 TYR QE 1 60 LYS HB2 2.660 . 3.660 2.090 1.854 3.262 . 0 0 "[ . 1 . 2]" 1
257 1 9 TYR QE 1 60 LYS HB3 2.780 . 3.780 2.988 2.427 4.519 0.739 5 1 "[ + 1 . 2]" 1
258 1 9 TYR QE 1 60 LYS QD 2.890 . 3.890 2.757 1.979 4.010 0.120 12 0 "[ . 1 . 2]" 1
259 1 9 TYR QE 1 60 LYS HE2 4.100 3.100 5.100 3.726 3.014 4.987 0.086 5 0 "[ . 1 . 2]" 1
260 1 9 TYR QE 1 60 LYS QE 3.270 2.270 4.270 3.401 2.763 4.165 . 0 0 "[ . 1 . 2]" 1
261 1 9 TYR QE 1 60 LYS HE3 4.100 3.100 5.100 4.404 2.857 5.014 0.243 4 0 "[ . 1 . 2]" 1
262 1 9 TYR QE 1 66 THR MG 3.550 2.550 4.550 3.475 3.201 3.844 . 0 0 "[ . 1 . 2]" 1
263 1 10 THR H 1 10 THR MG 2.920 . 3.920 2.594 2.356 2.962 . 0 0 "[ . 1 . 2]" 1
264 1 10 THR H 1 11 THR H 3.870 2.870 4.870 4.255 4.122 4.454 . 0 0 "[ . 1 . 2]" 1
265 1 10 THR H 1 35 ASP HA 2.690 . 3.690 3.315 2.714 4.041 0.351 4 0 "[ . 1 . 2]" 1
266 1 10 THR H 1 36 ILE H 3.160 2.160 4.160 3.478 3.127 3.868 . 0 0 "[ . 1 . 2]" 1
267 1 10 THR H 1 36 ILE HB 4.500 3.500 5.500 5.466 5.123 5.916 0.416 5 0 "[ . 1 . 2]" 1
268 1 10 THR H 1 36 ILE MD 3.610 2.610 4.610 3.965 3.476 4.291 . 0 0 "[ . 1 . 2]" 1
269 1 10 THR H 1 36 ILE MG 2.720 . 3.720 2.540 2.124 3.025 . 0 0 "[ . 1 . 2]" 1
270 1 10 THR H 1 57 PRO HA 4.400 3.400 5.400 4.835 4.602 5.192 . 0 0 "[ . 1 . 2]" 1
271 1 10 THR H 1 57 PRO QB 4.130 3.130 5.130 5.024 4.614 5.166 0.036 17 0 "[ . 1 . 2]" 1
272 1 10 THR HA 1 11 THR H 2.090 . 3.090 2.465 2.208 2.778 . 0 0 "[ . 1 . 2]" 1
273 1 10 THR HA 1 14 CYS QB 3.870 2.870 4.870 4.290 3.959 4.602 . 0 0 "[ . 1 . 2]" 1
274 1 10 THR HA 1 17 CYS QB 4.340 3.340 5.340 4.889 4.220 5.122 . 0 0 "[ . 1 . 2]" 1
275 1 10 THR HA 1 36 ILE MD 2.650 . 3.650 2.973 2.304 3.698 0.048 10 0 "[ . 1 . 2]" 1
276 1 10 THR HA 1 57 PRO HA 2.860 . 3.860 3.076 2.779 3.689 . 0 0 "[ . 1 . 2]" 1
277 1 10 THR HA 1 58 THR H 4.000 3.000 5.000 4.304 3.933 4.823 . 0 0 "[ . 1 . 2]" 1
278 1 10 THR HB 1 11 THR H 1.870 . 2.870 3.715 2.618 4.186 1.316 5 19 [****+****1*******-**] 1
279 1 10 THR HB 1 14 CYS QB 3.420 2.420 4.420 4.333 4.052 4.486 0.066 18 0 "[ . 1 . 2]" 1
280 1 10 THR HB 1 17 CYS HA 3.090 2.090 4.090 4.056 3.540 4.199 0.109 4 0 "[ . 1 . 2]" 1
281 1 10 THR HB 1 17 CYS QB 3.720 2.720 4.010 3.808 2.199 4.030 0.521 10 1 "[ . + . 2]" 1
282 1 10 THR HB 1 36 ILE MD 4.350 3.350 5.350 5.073 4.370 5.398 0.048 19 0 "[ . 1 . 2]" 1
283 1 10 THR HB 1 57 PRO QB 3.850 2.850 4.850 2.066 1.863 3.549 0.987 5 19 [*-**+****1**********] 1
284 1 10 THR HB 1 57 PRO HG3 3.450 2.450 4.450 4.187 4.032 4.837 0.387 10 0 "[ . 1 . 2]" 1
285 1 10 THR MG 1 11 THR H 3.070 2.070 4.070 3.219 2.734 3.761 . 0 0 "[ . 1 . 2]" 1
286 1 10 THR MG 1 57 PRO QB 3.240 2.240 4.240 2.983 1.855 3.710 0.385 10 0 "[ . 1 . 2]" 1
287 1 11 THR H 1 12 SER H 3.890 2.890 4.890 4.383 4.209 4.483 . 0 0 "[ . 1 . 2]" 1
288 1 11 THR H 1 14 CYS H 3.740 2.740 4.740 3.824 3.543 4.189 . 0 0 "[ . 1 . 2]" 1
289 1 11 THR H 1 14 CYS HB2 3.650 2.650 4.650 3.194 2.645 4.299 0.005 1 0 "[ . 1 . 2]" 1
290 1 11 THR H 1 14 CYS QB 2.850 . 3.850 2.963 2.498 4.129 0.279 5 0 "[ . 1 . 2]" 1
291 1 11 THR H 1 14 CYS HB3 3.650 2.650 4.650 3.750 2.839 5.335 0.685 5 1 "[ + 1 . 2]" 1
292 1 11 THR H 1 17 CYS QB 4.120 3.120 5.120 3.870 3.066 4.647 0.054 13 0 "[ . 1 . 2]" 1
293 1 11 THR H 1 36 ILE H 4.500 3.500 5.500 5.019 4.367 5.871 0.371 9 0 "[ . 1 . 2]" 1
294 1 11 THR H 1 36 ILE MD 3.260 2.260 4.260 3.581 2.482 4.306 0.046 15 0 "[ . 1 . 2]" 1
295 1 11 THR H 1 36 ILE MG 3.920 2.920 4.920 4.763 4.063 5.380 0.460 13 0 "[ . 1 . 2]" 1
296 1 11 THR HA 1 12 SER H 1.990 . 2.990 2.380 2.149 2.617 . 0 0 "[ . 1 . 2]" 1
297 1 11 THR HA 1 12 SER QB 3.800 2.800 4.800 4.429 4.116 4.601 . 0 0 "[ . 1 . 2]" 1
298 1 11 THR HA 1 13 TRP H 3.590 2.590 4.590 4.097 3.787 4.335 . 0 0 "[ . 1 . 2]" 1
299 1 11 THR HA 1 13 TRP HE1 4.170 3.170 5.170 5.121 4.411 5.286 0.116 20 0 "[ . 1 . 2]" 1
300 1 11 THR HA 1 36 ILE H 3.350 2.350 4.350 3.663 3.021 4.993 0.643 9 1 "[ . +1 . 2]" 1
301 1 11 THR HA 1 36 ILE MD 3.300 2.300 4.300 4.242 3.393 4.432 0.132 13 0 "[ . 1 . 2]" 1
302 1 11 THR HA 1 36 ILE QG 4.110 3.110 5.110 3.388 3.008 4.224 0.102 10 0 "[ . 1 . 2]" 1
303 1 11 THR HA 1 37 GLU H 4.050 3.050 5.050 4.452 3.626 5.808 0.758 9 1 "[ . +1 . 2]" 1
304 1 11 THR HB 1 12 SER H 2.170 . 3.170 2.938 2.389 3.830 0.660 3 2 "[ + . -1 . 2]" 1
305 1 11 THR HB 1 12 SER QB 4.400 3.500 5.400 4.500 4.118 5.188 . 0 0 "[ . 1 . 2]" 1
306 1 11 THR HB 1 13 TRP H 2.550 . 3.550 2.470 2.153 3.332 . 0 0 "[ . 1 . 2]" 1
307 1 11 THR HB 1 13 TRP HD1 3.150 2.150 4.150 3.104 2.376 3.796 . 0 0 "[ . 1 . 2]" 1
308 1 11 THR HB 1 13 TRP HE1 2.690 . 3.690 2.926 2.159 3.472 . 0 0 "[ . 1 . 2]" 1
309 1 11 THR HB 1 14 CYS H 3.720 2.720 4.720 3.628 3.159 4.501 . 0 0 "[ . 1 . 2]" 1
310 1 11 THR MG 1 13 TRP H 3.830 2.830 4.830 3.499 2.268 4.100 0.562 3 1 "[ + . 1 . 2]" 1
311 1 11 THR MG 1 13 TRP HD1 3.150 2.150 4.150 3.360 2.154 4.168 0.018 15 0 "[ . 1 . 2]" 1
312 1 11 THR MG 1 37 GLU HA 4.110 3.110 5.110 4.090 3.060 5.143 0.050 6 0 "[ . 1 . 2]" 1
313 1 12 SER H 1 12 SER QB 2.400 . 3.400 2.343 2.143 2.466 . 0 0 "[ . 1 . 2]" 1
314 1 12 SER H 1 13 TRP H 2.500 . 3.500 2.693 2.420 3.091 . 0 0 "[ . 1 . 2]" 1
315 1 12 SER H 1 13 TRP HA 4.150 3.150 5.150 5.224 5.026 5.484 0.334 9 0 "[ . 1 . 2]" 1
316 1 12 SER H 1 13 TRP HD1 3.560 2.560 4.560 4.082 2.917 4.817 0.257 20 0 "[ . 1 . 2]" 1
317 1 12 SER H 1 13 TRP HE1 3.810 2.810 4.810 5.101 3.939 5.811 1.001 9 5 "[ * * +1 .- *]" 1
318 1 12 SER H 1 14 CYS H 3.800 2.800 4.800 4.287 4.049 4.604 . 0 0 "[ . 1 . 2]" 1
319 1 12 SER H 1 14 CYS QB 4.340 3.340 5.340 5.340 4.911 5.788 0.448 9 0 "[ . 1 . 2]" 1
320 1 12 SER H 1 37 GLU QB 4.080 3.080 5.080 5.121 3.779 6.561 1.481 20 7 "[* * * *1 . *- +]" 1
321 1 12 SER HA 1 14 CYS H 3.640 2.640 4.640 3.700 3.516 4.372 . 0 0 "[ . 1 . 2]" 1
322 1 12 SER QB 1 13 TRP H 3.690 2.890 4.690 3.078 2.765 3.339 0.125 1 0 "[ . 1 . 2]" 1
323 1 12 SER QB 1 13 TRP HD1 3.740 2.740 4.740 4.102 2.824 4.861 0.121 5 0 "[ . 1 . 2]" 1
324 1 12 SER QB 1 14 CYS H 4.260 3.260 5.260 4.671 4.545 4.900 . 0 0 "[ . 1 . 2]" 1
325 1 13 TRP H 1 13 TRP HB2 3.000 . 4.000 3.660 3.636 3.690 . 0 0 "[ . 1 . 2]" 1
326 1 13 TRP H 1 13 TRP HB3 2.830 . 3.830 2.952 2.764 3.140 . 0 0 "[ . 1 . 2]" 1
327 1 13 TRP H 1 13 TRP HD1 2.870 . 3.870 2.774 2.383 3.190 . 0 0 "[ . 1 . 2]" 1
328 1 13 TRP H 1 13 TRP HE1 3.460 2.460 4.460 4.300 3.937 4.517 0.057 7 0 "[ . 1 . 2]" 1
329 1 13 TRP H 1 13 TRP HE3 3.650 2.650 4.650 4.664 4.207 5.064 0.414 9 0 "[ . 1 . 2]" 1
330 1 13 TRP H 1 14 CYS H 2.130 . 3.130 2.514 2.269 2.722 . 0 0 "[ . 1 . 2]" 1
331 1 13 TRP H 1 14 CYS HA 4.500 3.500 5.500 4.954 4.668 5.092 . 0 0 "[ . 1 . 2]" 1
332 1 13 TRP H 1 14 CYS QB 3.330 2.330 4.330 4.362 3.813 4.700 0.370 4 0 "[ . 1 . 2]" 1
333 1 13 TRP HA 1 13 TRP HE3 3.820 2.820 4.820 4.392 4.287 4.608 . 0 0 "[ . 1 . 2]" 1
334 1 13 TRP HB2 1 13 TRP HE3 3.050 2.050 4.050 2.699 2.516 2.865 . 0 0 "[ . 1 . 2]" 1
335 1 13 TRP HB2 1 14 CYS H 3.420 2.420 4.420 4.233 4.129 4.404 . 0 0 "[ . 1 . 2]" 1
336 1 13 TRP HB2 1 14 CYS HA 3.750 2.750 4.750 4.610 4.429 4.756 0.006 1 0 "[ . 1 . 2]" 1
337 1 13 TRP HB3 1 14 CYS H 3.780 2.780 4.780 4.485 4.303 4.592 . 0 0 "[ . 1 . 2]" 1
338 1 13 TRP HD1 1 14 CYS H 4.430 3.430 5.430 4.983 4.316 5.383 . 0 0 "[ . 1 . 2]" 1
339 1 13 TRP HE1 1 37 GLU QB 4.340 3.340 5.340 4.138 3.307 5.415 0.075 10 0 "[ . 1 . 2]" 1
340 1 13 TRP HE1 1 37 GLU QG 4.500 3.500 5.500 4.213 3.445 5.539 0.055 15 0 "[ . 1 . 2]" 1
341 1 13 TRP HE3 1 14 CYS H 3.750 2.750 4.750 4.128 3.661 4.952 0.202 1 0 "[ . 1 . 2]" 1
342 1 13 TRP HE3 1 14 CYS HA 2.840 . 3.840 3.111 2.712 3.843 0.003 1 0 "[ . 1 . 2]" 1
343 1 13 TRP HE3 1 14 CYS QB 4.340 3.340 5.340 4.401 3.342 5.259 . 0 0 "[ . 1 . 2]" 1
344 1 13 TRP HH2 1 54 ARG QD 4.410 3.410 5.410 4.825 3.674 5.466 0.056 7 0 "[ . 1 . 2]" 1
345 1 13 TRP HZ2 1 54 ARG QG 3.910 2.910 4.910 3.699 2.897 4.834 0.013 3 0 "[ . 1 . 2]" 1
346 1 13 TRP HZ3 1 14 CYS HA 4.060 3.060 5.060 4.117 3.635 4.881 . 0 0 "[ . 1 . 2]" 1
347 1 14 CYS H 1 14 CYS HB2 2.630 . 3.630 2.592 2.383 2.844 . 0 0 "[ . 1 . 2]" 1
348 1 14 CYS H 1 14 CYS QB 1.940 . 2.940 2.352 2.248 2.479 . 0 0 "[ . 1 . 2]" 1
349 1 14 CYS H 1 14 CYS HB3 2.630 . 3.630 3.026 2.396 3.624 . 0 0 "[ . 1 . 2]" 1
350 1 14 CYS H 1 15 GLY H 4.300 3.300 5.300 4.502 4.352 4.609 . 0 0 "[ . 1 . 2]" 1
351 1 14 CYS H 1 17 CYS H 4.500 3.500 5.500 4.784 4.411 5.018 . 0 0 "[ . 1 . 2]" 1
352 1 14 CYS HA 1 57 PRO QD 3.300 2.300 4.300 4.975 4.291 5.513 1.213 6 13 "[* **.+*- * **** * *]" 1
353 1 14 CYS QB 1 16 TYR QB 3.420 2.420 4.420 4.091 3.465 4.464 0.044 18 0 "[ . 1 . 2]" 1
354 1 14 CYS QB 1 17 CYS H 3.560 2.560 4.560 2.960 2.733 3.220 . 0 0 "[ . 1 . 2]" 1
355 1 14 CYS QB 1 18 LEU H 4.340 3.340 5.340 5.005 4.602 5.406 0.066 8 0 "[ . 1 . 2]" 1
356 1 15 GLY H 1 16 TYR H 3.170 2.170 4.170 2.565 2.321 2.869 . 0 0 "[ . 1 . 2]" 1
357 1 16 TYR H 1 16 TYR HB2 2.760 . 3.760 2.407 2.296 2.508 . 0 0 "[ . 1 . 2]" 1
358 1 16 TYR H 1 16 TYR QB 2.280 . 3.280 2.375 2.271 2.466 . 0 0 "[ . 1 . 2]" 1
359 1 16 TYR H 1 16 TYR HB3 2.760 . 3.760 3.634 3.581 3.671 . 0 0 "[ . 1 . 2]" 1
360 1 16 TYR H 1 16 TYR QD 2.720 . 3.720 3.257 2.771 3.497 . 0 0 "[ . 1 . 2]" 1
361 1 16 TYR H 1 16 TYR QE 4.040 3.040 5.040 4.877 4.674 4.992 . 0 0 "[ . 1 . 2]" 1
362 1 16 TYR H 1 17 CYS H 2.340 . 3.340 2.612 2.438 2.819 . 0 0 "[ . 1 . 2]" 1
363 1 16 TYR H 1 17 CYS HA 4.080 3.080 5.080 4.985 4.859 5.178 0.098 18 0 "[ . 1 . 2]" 1
364 1 16 TYR H 1 17 CYS QB 3.670 2.670 4.670 4.481 4.284 4.901 0.231 9 0 "[ . 1 . 2]" 1
365 1 16 TYR H 1 18 LEU H 4.180 3.180 5.180 5.136 4.799 5.561 0.381 9 0 "[ . 1 . 2]" 1
366 1 16 TYR H 1 19 ARG QG 4.210 3.210 5.210 5.315 4.011 5.936 0.726 8 10 "[ *-*+*** * * * 2]" 1
367 1 16 TYR H 1 57 PRO QD 4.500 3.500 4.720 3.681 3.332 4.039 0.168 5 0 "[ . 1 . 2]" 1
368 1 16 TYR HA 1 16 TYR QD 2.620 . 3.620 2.238 1.969 2.666 . 0 0 "[ . 1 . 2]" 1
369 1 16 TYR HA 1 16 TYR QE 4.500 3.500 5.500 4.333 4.184 4.518 . 0 0 "[ . 1 . 2]" 1
370 1 16 TYR HA 1 18 LEU H 3.500 2.500 4.500 4.535 4.178 4.677 0.177 11 0 "[ . 1 . 2]" 1
371 1 16 TYR HA 1 19 ARG H 3.060 2.060 4.060 3.246 3.063 3.523 . 0 0 "[ . 1 . 2]" 1
372 1 16 TYR HA 1 19 ARG QB 2.650 . 3.650 2.209 1.910 2.685 . 0 0 "[ . 1 . 2]" 1
373 1 16 TYR HA 1 19 ARG QG 2.560 . 3.560 2.975 1.963 3.438 . 0 0 "[ . 1 . 2]" 1
374 1 16 TYR HA 1 57 PRO QD 4.500 3.500 5.500 4.729 4.450 4.917 . 0 0 "[ . 1 . 2]" 1
375 1 16 TYR QB 1 57 PRO QD 3.050 2.050 3.850 2.279 1.930 2.498 0.120 8 0 "[ . 1 . 2]" 1
376 1 16 TYR QB 1 57 PRO HG3 3.770 2.770 4.770 2.649 2.307 3.172 0.463 16 0 "[ . 1 . 2]" 1
377 1 16 TYR QB 1 69 ASN HD22 4.000 3.000 5.000 3.852 2.953 5.009 0.047 17 0 "[ . 1 . 2]" 1
378 1 16 TYR HB2 1 17 CYS H 3.180 2.180 4.180 3.522 3.212 3.700 . 0 0 "[ . 1 . 2]" 1
379 1 16 TYR HB2 1 57 PRO QD 3.620 2.620 4.410 2.344 1.965 2.534 0.655 8 1 "[ . + 1 . 2]" 1
380 1 16 TYR HB2 1 69 ASN HD21 3.570 2.570 4.570 4.256 3.845 4.592 0.022 15 0 "[ . 1 . 2]" 1
381 1 16 TYR HB3 1 17 CYS H 3.180 2.180 4.180 4.121 3.821 4.294 0.114 19 0 "[ . 1 . 2]" 1
382 1 16 TYR HB3 1 57 PRO QD 3.410 2.620 4.410 3.209 2.447 3.894 0.173 7 0 "[ . 1 . 2]" 1
383 1 16 TYR HB3 1 69 ASN HD21 3.570 2.570 4.570 3.812 3.101 4.290 . 0 0 "[ . 1 . 2]" 1
384 1 16 TYR QD 1 17 CYS H 3.920 2.920 4.920 4.844 4.712 4.970 0.050 9 0 "[ . 1 . 2]" 1
385 1 16 TYR QD 1 19 ARG HA 4.500 3.500 5.500 5.436 5.086 5.594 0.094 14 0 "[ . 1 . 2]" 1
386 1 16 TYR QD 1 19 ARG QB 3.920 3.500 4.920 2.698 2.327 2.948 1.173 4 20 [***+*******-********] 1
387 1 16 TYR QD 1 56 VAL MG2 3.730 2.730 4.730 4.655 4.375 4.798 0.068 14 0 "[ . 1 . 2]" 1
388 1 16 TYR QD 1 57 PRO QD 3.830 3.110 4.830 3.150 2.710 3.785 0.400 16 0 "[ . 1 . 2]" 1
389 1 16 TYR QD 1 69 ASN HD21 2.260 . 3.260 3.269 2.921 3.343 0.083 12 0 "[ . 1 . 2]" 1
390 1 16 TYR QD 1 69 ASN HD22 3.410 2.410 4.410 3.503 2.632 4.167 . 0 0 "[ . 1 . 2]" 1
391 1 16 TYR QE 1 56 VAL MG2 4.500 3.500 5.500 5.274 4.902 5.538 0.038 18 0 "[ . 1 . 2]" 1
392 1 16 TYR QE 1 69 ASN HD22 3.880 2.880 4.880 3.765 3.015 4.250 . 0 0 "[ . 1 . 2]" 1
393 1 17 CYS H 1 17 CYS QB 2.820 . 3.820 2.377 2.163 2.600 . 0 0 "[ . 1 . 2]" 1
394 1 17 CYS H 1 18 LEU H 2.630 . 3.630 2.927 2.736 3.126 . 0 0 "[ . 1 . 2]" 1
395 1 17 CYS H 1 18 LEU HB3 4.500 3.500 5.500 5.582 5.344 5.776 0.276 17 0 "[ . 1 . 2]" 1
396 1 17 CYS H 1 18 LEU QD 3.670 2.670 4.670 3.757 3.124 5.702 1.032 9 1 "[ . +1 . 2]" 1
397 1 17 CYS H 1 19 ARG H 4.240 3.240 5.240 3.830 3.598 4.084 . 0 0 "[ . 1 . 2]" 1
398 1 17 CYS H 1 19 ARG QG 4.500 3.500 5.500 5.488 3.951 6.219 0.719 7 11 "[ ***+***- * * * 2]" 1
399 1 17 CYS H 1 20 LEU H 4.500 3.500 5.500 4.765 4.599 4.908 . 0 0 "[ . 1 . 2]" 1
400 1 17 CYS H 1 57 PRO QD 3.210 2.210 4.210 3.784 3.411 4.085 . 0 0 "[ . 1 . 2]" 1
401 1 17 CYS H 1 57 PRO HG3 3.650 2.650 4.650 3.912 3.347 4.311 . 0 0 "[ . 1 . 2]" 1
402 1 17 CYS HA 1 18 LEU QD 4.060 3.060 5.060 4.813 4.453 5.221 0.161 7 0 "[ . 1 . 2]" 1
403 1 17 CYS HA 1 20 LEU H 3.590 2.590 4.590 3.894 3.701 4.140 . 0 0 "[ . 1 . 2]" 1
404 1 17 CYS HA 1 20 LEU QB 3.620 2.620 4.620 3.310 2.985 3.950 . 0 0 "[ . 1 . 2]" 1
405 1 17 CYS HA 1 57 PRO QB 3.390 2.530 4.390 3.161 2.880 3.453 . 0 0 "[ . 1 . 2]" 1
406 1 17 CYS HA 1 57 PRO HG3 2.630 . 3.630 2.811 2.187 3.419 . 0 0 "[ . 1 . 2]" 1
407 1 17 CYS QB 1 18 LEU H 3.110 2.110 4.110 2.589 2.111 3.250 . 0 0 "[ . 1 . 2]" 1
408 1 17 CYS QB 1 18 LEU HA 3.720 2.720 4.720 4.178 3.803 4.340 . 0 0 "[ . 1 . 2]" 1
409 1 17 CYS QB 1 18 LEU QD 3.690 2.690 4.690 3.704 2.818 4.498 . 0 0 "[ . 1 . 2]" 1
410 1 18 LEU H 1 18 LEU HB3 2.790 . 3.790 2.719 2.534 2.924 . 0 0 "[ . 1 . 2]" 1
411 1 18 LEU H 1 18 LEU QD 2.680 . 3.680 2.208 1.675 3.499 0.005 17 0 "[ . 1 . 2]" 1
412 1 18 LEU H 1 18 LEU HG 2.580 . 3.580 3.049 1.777 4.503 0.923 9 1 "[ . +1 . 2]" 1
413 1 18 LEU H 1 19 ARG H 2.300 . 3.300 2.527 2.349 2.652 . 0 0 "[ . 1 . 2]" 1
414 1 18 LEU H 1 19 ARG HA 4.370 3.370 5.370 5.134 4.942 5.254 . 0 0 "[ . 1 . 2]" 1
415 1 18 LEU H 1 19 ARG QB 3.800 2.800 4.800 4.390 4.060 4.851 0.051 1 0 "[ . 1 . 2]" 1
416 1 18 LEU H 1 19 ARG QG 3.250 2.250 4.250 5.401 3.774 6.251 2.001 7 13 "[ - ***+**** * * * *]" 1
417 1 18 LEU H 1 20 LEU H 3.290 2.290 4.290 4.328 4.194 4.472 0.182 1 0 "[ . 1 . 2]" 1
418 1 18 LEU HA 1 18 LEU QD 2.620 . 3.620 3.287 1.874 3.421 . 0 0 "[ . 1 . 2]" 1
419 1 18 LEU HA 1 18 LEU HG 3.240 2.240 4.240 3.843 3.642 4.283 0.043 17 0 "[ . 1 . 2]" 1
420 1 18 LEU HA 1 19 ARG H 2.560 . 3.560 3.402 3.324 3.468 . 0 0 "[ . 1 . 2]" 1
421 1 18 LEU HA 1 21 LYS H 2.800 . 3.800 3.121 2.950 3.257 . 0 0 "[ . 1 . 2]" 1
422 1 18 LEU HA 1 21 LYS QB 2.620 . 3.620 2.543 2.294 2.865 . 0 0 "[ . 1 . 2]" 1
423 1 18 LEU HA 1 21 LYS QE 3.950 2.950 4.950 4.364 3.624 5.027 0.077 9 0 "[ . 1 . 2]" 1
424 1 18 LEU HB2 1 18 LEU QD 2.260 . 3.260 2.219 2.118 2.344 . 0 0 "[ . 1 . 2]" 1
425 1 18 LEU HB2 1 19 ARG H 3.510 2.510 4.510 3.991 3.668 4.175 . 0 0 "[ . 1 . 2]" 1
426 1 18 LEU HB2 1 21 LYS HG2 4.030 3.030 5.030 4.721 4.273 5.068 0.038 2 0 "[ . 1 . 2]" 1
427 1 18 LEU HB3 1 18 LEU QD 2.670 . 3.670 2.217 2.118 2.442 . 0 0 "[ . 1 . 2]" 1
428 1 18 LEU HB3 1 19 ARG H 2.990 . 3.990 4.115 3.002 4.391 0.401 16 0 "[ . 1 . 2]" 1
429 1 18 LEU HB3 1 21 LYS HG2 4.500 3.500 5.500 4.568 4.253 4.924 . 0 0 "[ . 1 . 2]" 1
430 1 18 LEU QD 1 19 ARG H 2.790 . 3.790 2.254 2.053 3.868 0.078 9 0 "[ . 1 . 2]" 1
431 1 18 LEU QD 1 19 ARG HA 2.820 . 3.820 3.321 2.488 3.891 0.071 10 0 "[ . 1 . 2]" 1
432 1 18 LEU HG 1 19 ARG H 2.950 . 3.950 3.486 2.750 5.337 1.387 9 4 "[ .* +1 - * 2]" 1
433 1 19 ARG H 1 19 ARG QB 1.890 . 2.890 2.320 2.147 2.619 . 0 0 "[ . 1 . 2]" 1
434 1 19 ARG H 1 19 ARG QD 3.970 2.970 4.970 4.015 3.106 4.688 . 0 0 "[ . 1 . 2]" 1
435 1 19 ARG H 1 19 ARG QG . 2.250 2.910 3.400 2.097 4.060 1.150 6 13 "[ - **+***** * * * *]" 1
436 1 19 ARG H 1 20 LEU H 2.480 . 3.480 2.603 2.487 2.747 . 0 0 "[ . 1 . 2]" 1
437 1 19 ARG HA 1 19 ARG QG 3.030 2.030 4.030 3.003 2.780 3.132 . 0 0 "[ . 1 . 2]" 1
438 1 19 ARG QB 1 19 ARG HD2 3.090 2.090 4.090 2.893 2.353 3.522 . 0 0 "[ . 1 . 2]" 1
439 1 19 ARG QB 1 19 ARG QD 2.440 . 3.440 2.494 2.271 2.876 . 0 0 "[ . 1 . 2]" 1
440 1 19 ARG QB 1 19 ARG HD3 3.090 2.090 4.090 2.950 2.364 3.545 . 0 0 "[ . 1 . 2]" 1
441 1 19 ARG QB 1 20 LEU H 2.280 . 3.280 2.384 2.198 2.649 . 0 0 "[ . 1 . 2]" 1
442 1 20 LEU H 1 20 LEU QB 2.380 . 3.050 2.175 2.115 2.246 . 0 0 "[ . 1 . 2]" 1
443 1 20 LEU H 1 20 LEU QD 3.360 2.360 4.360 3.713 3.644 3.772 . 0 0 "[ . 1 . 2]" 1
444 1 20 LEU H 1 20 LEU HG 3.560 2.560 4.560 4.342 4.240 4.484 . 0 0 "[ . 1 . 2]" 1
445 1 20 LEU H 1 21 LYS H 2.170 . 3.170 2.585 2.376 2.727 . 0 0 "[ . 1 . 2]" 1
446 1 20 LEU H 1 21 LYS QD 3.980 2.980 4.980 5.198 4.460 5.552 0.572 1 2 "[+ - . 1 . 2]" 1
447 1 20 LEU H 1 57 PRO HG2 4.500 3.500 5.500 5.589 5.177 6.014 0.514 20 1 "[ . 1 . +]" 1
448 1 20 LEU HA 1 20 LEU QD 3.240 2.240 3.320 2.208 2.173 2.228 0.067 6 0 "[ . 1 . 2]" 1
449 1 20 LEU QB 1 20 LEU QD 2.640 . 3.640 1.946 1.917 1.978 . 0 0 "[ . 1 . 2]" 1
450 1 20 LEU QB 1 21 LYS H 2.480 . 3.480 2.683 2.492 2.952 . 0 0 "[ . 1 . 2]" 1
451 1 20 LEU QB 1 21 LYS QD 2.180 . 3.180 3.928 3.319 4.462 1.282 4 18 "[***+*-** * *********]" 1
452 1 20 LEU QB 1 21 LYS HG2 . 3.490 4.030 3.772 3.606 3.983 . 0 0 "[ . 1 . 2]" 1
453 1 20 LEU QB 1 24 LEU H 4.500 3.500 5.500 5.265 5.037 5.658 0.158 8 0 "[ . 1 . 2]" 1
454 1 20 LEU QB 1 24 LEU QD 3.600 2.600 4.600 4.130 3.540 4.251 . 0 0 "[ . 1 . 2]" 1
455 1 20 LEU QD 1 21 LYS H 3.760 2.760 4.760 3.945 3.695 4.263 . 0 0 "[ . 1 . 2]" 1
456 1 20 LEU QD 1 21 LYS QD 3.680 2.680 4.680 3.955 3.540 4.665 . 0 0 "[ . 1 . 2]" 1
457 1 20 LEU QD 1 21 LYS QE 4.440 3.440 5.440 4.215 3.452 5.459 0.019 18 0 "[ . 1 . 2]" 1
458 1 20 LEU QD 1 23 ALA H 3.710 2.710 4.710 4.273 3.913 4.595 . 0 0 "[ . 1 . 2]" 1
459 1 20 LEU QD 1 23 ALA MB 2.570 . 3.570 2.653 2.131 3.078 . 0 0 "[ . 1 . 2]" 1
460 1 20 LEU QD 1 24 LEU H 3.020 2.020 4.020 3.706 3.428 4.189 0.169 6 0 "[ . 1 . 2]" 1
461 1 20 LEU QD 1 24 LEU HB2 4.150 3.150 5.150 4.448 4.236 4.829 . 0 0 "[ . 1 . 2]" 1
462 1 20 LEU QD 1 24 LEU QD 1.940 . 2.940 2.293 2.147 2.524 . 0 0 "[ . 1 . 2]" 1
463 1 20 LEU QD 1 57 PRO HG2 3.870 2.870 4.870 2.931 2.824 3.233 0.046 7 0 "[ . 1 . 2]" 1
464 1 20 LEU QD 1 59 VAL QG 3.770 2.770 4.770 2.770 2.546 3.233 0.224 14 0 "[ . 1 . 2]" 1
465 1 20 LEU QD 1 69 ASN H 4.110 3.110 5.110 4.927 4.718 5.354 0.244 4 0 "[ . 1 . 2]" 1
466 1 20 LEU QD 1 69 ASN HA 3.160 2.160 4.160 3.215 3.013 3.588 . 0 0 "[ . 1 . 2]" 1
467 1 20 LEU QD 1 70 PRO HA 4.440 3.440 5.440 4.662 4.254 4.915 . 0 0 "[ . 1 . 2]" 1
468 1 20 LEU QD 1 70 PRO QD 3.140 2.140 4.140 2.463 2.104 2.666 0.036 5 0 "[ . 1 . 2]" 1
469 1 20 LEU QD 1 70 PRO QG 2.660 . 3.660 3.428 2.834 3.572 . 0 0 "[ . 1 . 2]" 1
470 1 20 LEU QD 1 71 SER HA 3.130 2.130 4.130 3.116 2.118 3.719 0.012 6 0 "[ . 1 . 2]" 1
471 1 20 LEU QD 1 72 ALA H 2.880 . 3.880 3.957 3.284 4.417 0.537 3 1 "[ + . 1 . 2]" 1
472 1 20 LEU QD 1 72 ALA HA 3.060 2.060 4.060 3.938 3.643 4.109 0.049 6 0 "[ . 1 . 2]" 1
473 1 20 LEU QD 1 73 ASP H 4.440 3.440 5.440 5.869 5.277 6.252 0.812 14 10 "[ * * ***- *+.* *2]" 1
474 1 20 LEU QD 1 75 VAL H 4.390 3.390 5.390 5.213 5.039 5.415 0.025 9 0 "[ . 1 . 2]" 1
475 1 20 LEU QD 1 75 VAL MG1 2.330 . 3.330 3.305 3.119 3.399 0.069 16 0 "[ . 1 . 2]" 1
476 1 20 LEU HG 1 21 LYS H 4.270 3.270 5.270 3.762 3.396 4.360 . 0 0 "[ . 1 . 2]" 1
477 1 20 LEU HG 1 24 LEU H 4.500 3.500 5.500 4.403 3.711 4.825 . 0 0 "[ . 1 . 2]" 1
478 1 20 LEU HG 1 24 LEU HB2 4.500 3.500 5.500 4.630 4.405 4.879 . 0 0 "[ . 1 . 2]" 1
479 1 20 LEU HG 1 24 LEU QD 3.900 2.900 4.900 2.798 2.742 2.859 0.158 4 0 "[ . 1 . 2]" 1
480 1 20 LEU HG 1 72 ALA H 4.500 3.500 5.500 6.728 5.160 7.296 1.796 19 18 "[*** * ***********-+*]" 1
481 1 21 LYS H 1 21 LYS QB 2.150 . 3.150 2.583 2.512 2.650 . 0 0 "[ . 1 . 2]" 1
482 1 21 LYS H 1 21 LYS QD 3.350 2.350 4.150 3.191 2.785 3.527 . 0 0 "[ . 1 . 2]" 1
483 1 21 LYS H 1 21 LYS QE 4.300 3.300 5.300 4.155 3.842 4.939 . 0 0 "[ . 1 . 2]" 1
484 1 21 LYS H 1 21 LYS HG2 2.510 . 3.510 2.159 1.988 2.365 . 0 0 "[ . 1 . 2]" 1
485 1 21 LYS H 1 21 LYS HG3 2.810 . 3.810 3.660 3.559 3.802 . 0 0 "[ . 1 . 2]" 1
486 1 21 LYS H 1 23 ALA H 3.160 2.160 4.160 4.184 3.991 4.410 0.250 8 0 "[ . 1 . 2]" 1
487 1 21 LYS HA 1 21 LYS QD 2.950 . 3.950 2.176 2.012 2.333 . 0 0 "[ . 1 . 2]" 1
488 1 21 LYS HA 1 21 LYS HG2 2.960 . 3.960 3.207 2.983 3.389 . 0 0 "[ . 1 . 2]" 1
489 1 21 LYS HA 1 21 LYS HG3 2.830 . 3.830 3.817 3.727 3.911 0.081 11 0 "[ . 1 . 2]" 1
490 1 21 LYS HA 1 23 ALA MB 4.260 3.260 5.260 5.032 4.858 5.156 . 0 0 "[ . 1 . 2]" 1
491 1 21 LYS HA 1 24 LEU H 3.130 2.130 4.130 3.707 3.331 3.881 . 0 0 "[ . 1 . 2]" 1
492 1 21 LYS HA 1 24 LEU HB2 3.270 2.270 4.270 3.266 2.567 3.548 . 0 0 "[ . 1 . 2]" 1
493 1 21 LYS HA 1 24 LEU HB3 4.200 3.200 5.200 4.929 4.214 5.225 0.025 11 0 "[ . 1 . 2]" 1
494 1 21 LYS HA 1 24 LEU QD 2.970 . 3.970 3.295 2.580 3.533 . 0 0 "[ . 1 . 2]" 1
495 1 21 LYS HA 1 25 THR H 3.610 2.610 4.610 4.081 3.707 4.346 . 0 0 "[ . 1 . 2]" 1
496 1 21 LYS HA 1 31 TYR QE 3.250 2.250 4.250 3.872 3.469 4.252 0.002 6 0 "[ . 1 . 2]" 1
497 1 21 LYS QB 1 21 LYS QD 2.840 . 3.840 2.452 2.321 2.882 . 0 0 "[ . 1 . 2]" 1
498 1 21 LYS QB 1 21 LYS QE 3.830 2.830 4.830 3.640 2.695 3.889 0.135 18 0 "[ . 1 . 2]" 1
499 1 21 LYS QB 1 22 THR H 2.190 . 3.190 2.394 2.161 2.672 . 0 0 "[ . 1 . 2]" 1
500 1 21 LYS QB 1 23 ALA H 3.860 2.860 4.860 4.632 4.474 4.815 . 0 0 "[ . 1 . 2]" 1
501 1 21 LYS QB 1 31 TYR QE 3.530 2.530 4.530 4.105 3.761 4.484 . 0 0 "[ . 1 . 2]" 1
502 1 21 LYS QD 1 24 LEU QD 3.650 2.650 4.650 3.529 2.454 4.121 0.196 6 0 "[ . 1 . 2]" 1
503 1 21 LYS QD 1 31 TYR QE 3.260 2.260 4.260 2.730 2.191 3.736 0.069 15 0 "[ . 1 . 2]" 1
504 1 21 LYS QE 1 31 TYR QE 2.840 . 3.840 3.111 1.915 3.890 0.050 5 0 "[ . 1 . 2]" 1
505 1 21 LYS HG2 1 22 THR H 3.360 2.360 4.360 4.102 3.690 4.366 0.006 6 0 "[ . 1 . 2]" 1
506 1 21 LYS HG2 1 31 TYR QE 4.500 3.500 5.500 5.355 4.985 5.575 0.075 11 0 "[ . 1 . 2]" 1
507 1 21 LYS HG3 1 22 THR H 4.140 3.140 5.140 4.752 4.513 5.052 . 0 0 "[ . 1 . 2]" 1
508 1 21 LYS HG3 1 31 TYR QE 4.090 3.090 5.090 4.906 4.612 5.260 0.170 4 0 "[ . 1 . 2]" 1
509 1 22 THR H 1 22 THR HB 1.990 . 2.990 2.863 2.488 3.643 0.653 8 6 "[ - *. + 1 ** . * 2]" 1
510 1 22 THR H 1 22 THR MG 2.840 . 3.840 3.329 2.224 3.767 . 0 0 "[ . 1 . 2]" 1
511 1 22 THR H 1 23 ALA H 2.250 . 3.250 2.697 2.546 2.853 . 0 0 "[ . 1 . 2]" 1
512 1 22 THR H 1 23 ALA MB 3.500 2.500 4.500 4.355 4.232 4.522 0.022 8 0 "[ . 1 . 2]" 1
513 1 22 THR H 1 24 LEU H 3.780 2.780 4.780 4.281 4.160 4.376 . 0 0 "[ . 1 . 2]" 1
514 1 22 THR H 1 25 THR H 4.010 3.010 5.010 4.796 4.670 4.993 . 0 0 "[ . 1 . 2]" 1
515 1 22 THR HA 1 22 THR MG 2.030 . 3.030 2.336 2.216 2.431 . 0 0 "[ . 1 . 2]" 1
516 1 22 THR HA 1 25 THR H 3.530 2.530 4.530 3.656 3.401 4.034 . 0 0 "[ . 1 . 2]" 1
517 1 22 THR HA 1 25 THR HB 2.460 . 3.460 2.864 2.440 3.483 0.023 12 0 "[ . 1 . 2]" 1
518 1 22 THR HA 1 26 ALA H 3.200 2.200 4.200 4.014 3.771 4.233 0.033 10 0 "[ . 1 . 2]" 1
519 1 22 THR HB 1 23 ALA H 2.050 . 3.050 2.842 2.299 3.720 0.670 12 5 "[ *. * 1 +* . - 2]" 1
520 1 22 THR HB 1 24 LEU H 4.500 3.500 5.500 5.224 4.796 5.734 0.234 4 0 "[ . 1 . 2]" 1
521 1 22 THR MG 1 23 ALA H 2.810 . 3.810 3.682 3.303 4.169 0.359 17 0 "[ . 1 . 2]" 1
522 1 22 THR MG 1 24 LEU H 4.500 3.500 5.500 5.294 5.068 5.628 0.128 13 0 "[ . 1 . 2]" 1
523 1 23 ALA H 1 23 ALA MB 1.670 . 2.670 2.227 2.204 2.240 . 0 0 "[ . 1 . 2]" 1
524 1 23 ALA H 1 24 LEU H 2.250 . 3.250 2.705 2.510 2.841 . 0 0 "[ . 1 . 2]" 1
525 1 23 ALA H 1 24 LEU HB2 3.740 2.740 4.740 5.007 4.777 5.133 0.393 15 0 "[ . 1 . 2]" 1
526 1 23 ALA H 1 24 LEU HG 4.240 3.240 5.240 4.574 4.259 4.739 . 0 0 "[ . 1 . 2]" 1
527 1 23 ALA H 1 25 THR H 3.630 2.630 4.630 4.185 4.059 4.344 . 0 0 "[ . 1 . 2]" 1
528 1 23 ALA H 1 26 ALA H 3.600 2.600 4.600 4.751 4.653 4.848 0.248 16 0 "[ . 1 . 2]" 1
529 1 23 ALA H 1 72 ALA MB 3.490 2.490 4.490 4.908 4.461 5.403 0.913 11 7 "[ * . 1+ * * -* *]" 1
530 1 23 ALA HA 1 24 LEU QD 4.440 3.440 5.440 5.002 4.884 5.289 . 0 0 "[ . 1 . 2]" 1
531 1 23 ALA HA 1 26 ALA H 3.670 2.670 4.670 3.703 3.525 3.949 . 0 0 "[ . 1 . 2]" 1
532 1 23 ALA HA 1 27 ASN QD 3.340 2.340 4.340 3.470 3.158 4.027 . 0 0 "[ . 1 . 2]" 1
533 1 23 ALA MB 1 24 LEU H 2.200 . 3.200 2.501 2.375 2.645 . 0 0 "[ . 1 . 2]" 1
534 1 23 ALA MB 1 24 LEU HA 3.010 2.010 4.010 3.840 3.755 3.891 . 0 0 "[ . 1 . 2]" 1
535 1 23 ALA MB 1 24 LEU QD . 3.200 3.790 3.222 3.110 3.561 0.090 16 0 "[ . 1 . 2]" 1
536 1 23 ALA MB 1 24 LEU HG 3.180 2.180 4.180 3.388 3.243 3.505 . 0 0 "[ . 1 . 2]" 1
537 1 23 ALA MB 1 25 THR H 3.920 2.920 4.920 4.558 4.443 4.725 . 0 0 "[ . 1 . 2]" 1
538 1 23 ALA MB 1 71 SER HA 3.990 2.990 4.990 3.780 3.130 4.320 . 0 0 "[ . 1 . 2]" 1
539 1 23 ALA MB 1 72 ALA H 3.530 2.530 4.530 2.806 2.123 3.313 0.407 5 0 "[ . 1 . 2]" 1
540 1 23 ALA MB 1 72 ALA HA 3.410 2.410 4.410 3.984 3.617 4.405 . 0 0 "[ . 1 . 2]" 1
541 1 23 ALA MB 1 72 ALA MB 1.670 . 2.670 2.252 1.917 2.677 0.007 11 0 "[ . 1 . 2]" 1
542 1 23 ALA MB 1 73 ASP H 3.440 2.440 4.440 4.844 4.178 5.343 0.903 11 11 "[ * *. * *1+ * * -***]" 1
543 1 24 LEU H 1 24 LEU HB2 2.300 . 3.300 2.549 2.498 2.587 . 0 0 "[ . 1 . 2]" 1
544 1 24 LEU H 1 24 LEU HB3 2.700 . 3.700 3.641 3.626 3.663 . 0 0 "[ . 1 . 2]" 1
545 1 24 LEU H 1 24 LEU QD 2.900 . 3.320 3.069 2.983 3.188 . 0 0 "[ . 1 . 2]" 1
546 1 24 LEU H 1 24 LEU HG 2.170 . 3.170 2.416 2.328 2.489 . 0 0 "[ . 1 . 2]" 1
547 1 24 LEU H 1 25 THR H 2.330 . 3.330 2.613 2.498 2.745 . 0 0 "[ . 1 . 2]" 1
548 1 24 LEU H 1 25 THR HA 4.500 3.500 5.500 5.208 5.125 5.305 . 0 0 "[ . 1 . 2]" 1
549 1 24 LEU H 1 26 ALA H 3.540 2.540 4.540 4.094 3.886 4.249 . 0 0 "[ . 1 . 2]" 1
550 1 24 LEU H 1 29 ILE HB 4.500 3.500 5.500 5.252 5.069 5.691 0.191 19 0 "[ . 1 . 2]" 1
551 1 24 LEU H 1 31 TYR QE 4.010 3.010 5.010 4.987 4.397 5.366 0.356 6 0 "[ . 1 . 2]" 1
552 1 24 LEU H 1 72 ALA MB 3.080 2.080 4.080 3.754 3.502 4.037 . 0 0 "[ . 1 . 2]" 1
553 1 24 LEU HA 1 24 LEU QD . 2.370 3.110 2.261 2.233 2.284 0.137 3 0 "[ . 1 . 2]" 1
554 1 24 LEU HA 1 27 ASN H 2.960 . 3.960 3.432 3.308 3.641 . 0 0 "[ . 1 . 2]" 1
555 1 24 LEU HA 1 27 ASN HB2 3.070 2.070 4.070 2.964 2.680 3.257 . 0 0 "[ . 1 . 2]" 1
556 1 24 LEU HA 1 27 ASN HB3 3.660 2.660 4.660 4.564 4.197 4.863 0.203 3 0 "[ . 1 . 2]" 1
557 1 24 LEU HA 1 27 ASN QD 3.510 2.510 4.510 3.712 3.463 4.340 . 0 0 "[ . 1 . 2]" 1
558 1 24 LEU HA 1 29 ILE HB 3.260 2.260 4.260 2.957 2.766 3.438 . 0 0 "[ . 1 . 2]" 1
559 1 24 LEU HA 1 29 ILE MD 2.630 . 3.630 1.998 1.867 2.308 . 0 0 "[ . 1 . 2]" 1
560 1 24 LEU HA 1 29 ILE HG13 3.220 2.220 4.220 3.585 3.203 5.220 1.000 19 2 "[ - . 1 . +2]" 1
561 1 24 LEU HA 1 72 ALA MB 3.300 2.300 4.300 2.758 2.476 3.133 . 0 0 "[ . 1 . 2]" 1
562 1 24 LEU HA 1 75 VAL MG2 4.040 3.040 5.040 4.427 4.204 4.648 . 0 0 "[ . 1 . 2]" 1
563 1 24 LEU HB2 1 25 THR H 2.640 . 3.640 2.599 2.486 2.700 . 0 0 "[ . 1 . 2]" 1
564 1 24 LEU HB2 1 25 THR HB 3.920 2.920 4.920 4.905 4.181 4.971 0.051 7 0 "[ . 1 . 2]" 1
565 1 24 LEU HB2 1 26 ALA H 3.900 2.900 4.900 5.022 4.915 5.145 0.245 4 0 "[ . 1 . 2]" 1
566 1 24 LEU HB2 1 27 ASN H 4.350 3.350 5.350 5.422 5.307 5.558 0.208 19 0 "[ . 1 . 2]" 1
567 1 24 LEU HB2 1 29 ILE MD 4.500 3.500 5.500 4.238 3.932 4.458 . 0 0 "[ . 1 . 2]" 1
568 1 24 LEU HB2 1 31 TYR QE 2.770 . 3.770 2.824 2.303 3.178 . 0 0 "[ . 1 . 2]" 1
569 1 24 LEU HB2 1 75 VAL MG2 4.500 3.500 5.500 5.487 5.340 5.573 0.073 6 0 "[ . 1 . 2]" 1
570 1 24 LEU HB3 1 24 LEU QD 2.860 . 3.140 2.093 2.071 2.114 . 0 0 "[ . 1 . 2]" 1
571 1 24 LEU HB3 1 25 THR H 2.930 . 3.930 3.656 3.519 3.743 . 0 0 "[ . 1 . 2]" 1
572 1 24 LEU HB3 1 31 TYR H 4.500 3.500 5.500 5.661 5.206 6.188 0.688 6 2 "[ .+ - . 2]" 1
573 1 24 LEU HB3 1 31 TYR QD 2.730 . 3.730 2.695 2.443 2.963 . 0 0 "[ . 1 . 2]" 1
574 1 24 LEU HB3 1 31 TYR QE 3.040 2.040 4.040 3.287 2.739 3.853 . 0 0 "[ . 1 . 2]" 1
575 1 24 LEU QD 1 25 THR H 3.830 2.830 4.210 4.108 4.012 4.174 . 0 0 "[ . 1 . 2]" 1
576 1 24 LEU QD 1 29 ILE HA 3.830 2.830 4.830 4.817 4.644 4.872 0.042 16 0 "[ . 1 . 2]" 1
577 1 24 LEU QD 1 29 ILE HB 2.140 . 3.140 2.689 2.433 2.895 . 0 0 "[ . 1 . 2]" 1
578 1 24 LEU QD 1 29 ILE HG13 3.280 2.280 4.280 3.906 3.797 4.143 . 0 0 "[ . 1 . 2]" 1
579 1 24 LEU QD 1 31 TYR QD 2.940 . 3.940 2.638 2.464 2.890 . 0 0 "[ . 1 . 2]" 1
580 1 24 LEU QD 1 31 TYR QE 3.410 2.410 4.410 3.394 3.026 3.730 . 0 0 "[ . 1 . 2]" 1
581 1 24 LEU QD 1 72 ALA H 3.820 2.820 4.820 3.824 3.523 4.301 . 0 0 "[ . 1 . 2]" 1
582 1 24 LEU QD 1 72 ALA HA 2.620 . 3.620 2.212 1.966 2.573 . 0 0 "[ . 1 . 2]" 1
583 1 24 LEU QD 1 72 ALA MB 2.140 . 3.140 2.424 2.220 2.827 . 0 0 "[ . 1 . 2]" 1
584 1 24 LEU QD 1 75 VAL H 3.750 2.750 4.750 4.428 4.208 4.660 . 0 0 "[ . 1 . 2]" 1
585 1 24 LEU QD 1 75 VAL HB 3.190 2.190 4.190 3.698 3.497 3.918 . 0 0 "[ . 1 . 2]" 1
586 1 24 LEU QD 1 75 VAL MG1 2.980 . 3.980 3.029 2.806 3.371 . 0 0 "[ . 1 . 2]" 1
587 1 24 LEU QD 1 75 VAL MG2 . . 2.580 1.908 1.832 1.980 0.048 19 0 "[ . 1 . 2]" 1
588 1 24 LEU QD 1 76 LYS H 3.850 2.850 4.850 4.648 4.513 4.855 0.005 4 0 "[ . 1 . 2]" 1
589 1 24 LEU QD 1 76 LYS HG3 3.960 2.960 4.960 4.226 3.961 4.528 . 0 0 "[ . 1 . 2]" 1
590 1 24 LEU HG 1 25 THR H 3.480 2.480 4.480 4.315 4.162 4.406 . 0 0 "[ . 1 . 2]" 1
591 1 24 LEU HG 1 29 ILE MD 3.650 2.650 4.650 4.159 3.982 4.670 0.020 3 0 "[ . 1 . 2]" 1
592 1 24 LEU HG 1 72 ALA MB 3.090 2.090 4.090 4.114 3.985 4.171 0.081 2 0 "[ . 1 . 2]" 1
593 1 24 LEU HG 1 75 VAL MG2 3.240 2.240 4.240 4.213 4.113 4.267 0.027 20 0 "[ . 1 . 2]" 1
594 1 25 THR H 1 25 THR HB 1.990 . 2.990 2.505 2.404 2.610 . 0 0 "[ . 1 . 2]" 1
595 1 25 THR H 1 25 THR MG 2.800 . 3.800 3.676 2.435 3.761 . 0 0 "[ . 1 . 2]" 1
596 1 25 THR H 1 26 ALA H 2.260 . 3.260 2.683 2.589 2.765 . 0 0 "[ . 1 . 2]" 1
597 1 25 THR H 1 26 ALA MB 4.260 3.260 5.260 4.348 4.264 4.449 . 0 0 "[ . 1 . 2]" 1
598 1 25 THR H 1 27 ASN H 3.430 2.430 4.430 4.047 3.867 4.233 . 0 0 "[ . 1 . 2]" 1
599 1 25 THR H 1 28 ARG H 4.500 3.500 5.500 5.039 4.727 5.386 . 0 0 "[ . 1 . 2]" 1
600 1 25 THR H 1 31 TYR QE 2.960 . 3.960 3.578 3.064 4.195 0.235 6 0 "[ . 1 . 2]" 1
601 1 25 THR H 1 72 ALA MB 4.160 3.160 5.160 5.212 4.971 5.511 0.351 2 0 "[ . 1 . 2]" 1
602 1 25 THR HA 1 31 TYR QE 3.890 2.890 4.890 3.403 2.891 3.848 . 0 0 "[ . 1 . 2]" 1
603 1 25 THR HB 1 26 ALA H 1.990 . 2.990 2.795 2.504 4.009 1.019 12 1 "[ . 1 + . 2]" 1
604 1 25 THR HB 1 27 ASN H 3.820 2.820 4.820 4.995 4.806 5.768 0.948 12 1 "[ . 1 + . 2]" 1
605 1 25 THR MG 1 26 ALA H 2.590 . 3.590 3.541 2.399 3.719 0.129 8 0 "[ . 1 . 2]" 1
606 1 26 ALA H 1 26 ALA MB 1.550 . 2.550 2.231 2.197 2.259 . 0 0 "[ . 1 . 2]" 1
607 1 26 ALA H 1 27 ASN H 2.070 . 3.070 2.610 2.440 2.712 . 0 0 "[ . 1 . 2]" 1
608 1 26 ALA H 1 27 ASN HA 4.280 3.280 5.280 5.244 5.095 5.332 0.052 19 0 "[ . 1 . 2]" 1
609 1 26 ALA H 1 27 ASN HB2 3.760 2.760 4.760 4.772 4.506 4.971 0.211 5 0 "[ . 1 . 2]" 1
610 1 26 ALA H 1 28 ARG H 3.160 2.160 4.160 3.980 3.806 4.230 0.070 2 0 "[ . 1 . 2]" 1
611 1 26 ALA H 1 29 ILE MD 4.500 3.500 5.500 5.530 5.154 5.809 0.309 11 0 "[ . 1 . 2]" 1
612 1 26 ALA HA 1 28 ARG H 3.290 2.290 4.290 3.739 3.606 4.008 . 0 0 "[ . 1 . 2]" 1
613 1 26 ALA MB 1 27 ASN H 2.230 . 3.230 2.801 2.487 3.147 . 0 0 "[ . 1 . 2]" 1
614 1 26 ALA MB 1 27 ASN HA 3.380 2.380 4.380 3.976 3.831 4.126 . 0 0 "[ . 1 . 2]" 1
615 1 26 ALA MB 1 27 ASN QD 2.430 2.090 3.430 2.729 2.309 3.063 . 0 0 "[ . 1 . 2]" 1
616 1 27 ASN H 1 27 ASN HB2 2.200 . 3.200 2.436 2.321 2.525 . 0 0 "[ . 1 . 2]" 1
617 1 27 ASN H 1 27 ASN HB3 2.710 . 3.710 3.653 3.580 3.715 0.005 14 0 "[ . 1 . 2]" 1
618 1 27 ASN H 1 27 ASN QD 2.650 . 3.650 2.686 2.278 2.988 . 0 0 "[ . 1 . 2]" 1
619 1 27 ASN H 1 28 ARG H 2.040 . 3.040 2.379 2.180 2.580 . 0 0 "[ . 1 . 2]" 1
620 1 27 ASN H 1 29 ILE H 2.990 . 3.990 3.719 3.308 4.319 0.329 19 0 "[ . 1 . 2]" 1
621 1 27 ASN H 1 29 ILE MD 3.340 2.340 4.340 3.987 3.375 4.166 . 0 0 "[ . 1 . 2]" 1
622 1 27 ASN H 1 72 ALA MB 3.830 2.830 4.830 4.064 3.704 4.405 . 0 0 "[ . 1 . 2]" 1
623 1 27 ASN HA 1 27 ASN QD 3.610 2.610 4.610 3.375 2.659 3.519 . 0 0 "[ . 1 . 2]" 1
624 1 27 ASN HA 1 28 ARG QG 4.190 3.190 5.190 3.791 3.181 4.485 0.009 12 0 "[ . 1 . 2]" 1
625 1 27 ASN HA 1 29 ILE MD 3.640 2.640 4.640 4.617 3.919 4.726 0.086 8 0 "[ . 1 . 2]" 1
626 1 27 ASN HB2 1 28 ARG H 3.500 2.500 4.500 3.801 3.466 4.004 . 0 0 "[ . 1 . 2]" 1
627 1 27 ASN HB2 1 29 ILE H 3.650 2.650 4.650 3.901 3.500 4.400 . 0 0 "[ . 1 . 2]" 1
628 1 27 ASN HB2 1 29 ILE MD 2.790 . 3.790 2.360 2.131 2.529 . 0 0 "[ . 1 . 2]" 1
629 1 27 ASN HB2 1 29 ILE HG12 3.680 2.680 4.680 3.993 3.441 4.689 0.009 19 0 "[ . 1 . 2]" 1
630 1 27 ASN HB2 1 29 ILE HG13 3.450 2.450 4.450 2.754 2.200 4.730 0.280 19 0 "[ . 1 . 2]" 1
631 1 27 ASN HB3 1 28 ARG H 3.770 2.770 4.770 4.250 4.099 4.366 . 0 0 "[ . 1 . 2]" 1
632 1 27 ASN HB3 1 28 ARG QB 3.880 2.880 4.880 4.956 4.575 5.820 0.940 9 3 "[ - . +1 * 2]" 1
633 1 27 ASN HB3 1 29 ILE H 3.630 2.630 4.630 4.484 3.936 5.117 0.487 9 0 "[ . 1 . 2]" 1
634 1 27 ASN HB3 1 29 ILE MD 2.650 . 3.650 2.666 2.408 2.857 . 0 0 "[ . 1 . 2]" 1
635 1 27 ASN HB3 1 29 ILE HG13 2.800 . 3.800 2.893 2.318 4.593 0.793 3 2 "[ + . 1 . -2]" 1
636 1 27 ASN QD 1 28 ARG H 3.400 2.400 4.400 4.707 4.245 4.891 0.491 16 0 "[ . 1 . 2]" 1
637 1 27 ASN QD 1 72 ALA MB 3.370 2.710 4.370 2.366 2.215 2.815 0.495 8 0 "[ . 1 . 2]" 1
638 1 28 ARG H 1 28 ARG HA 1.760 . 2.760 2.242 2.203 2.279 . 0 0 "[ . 1 . 2]" 1
639 1 28 ARG H 1 28 ARG QB 2.590 . 3.590 3.263 2.939 3.444 . 0 0 "[ . 1 . 2]" 1
640 1 28 ARG H 1 28 ARG HD2 4.030 3.030 5.030 5.054 3.342 5.864 0.834 2 4 "[ + . *- * 2]" 1
641 1 28 ARG H 1 28 ARG HD3 4.030 3.030 5.030 4.837 2.565 5.714 0.684 9 1 "[ . +1 . 2]" 1
642 1 28 ARG H 1 28 ARG QG 2.390 . 3.390 2.875 2.502 3.589 0.199 2 0 "[ . 1 . 2]" 1
643 1 28 ARG H 1 29 ILE H 1.770 . 2.770 2.819 2.640 3.117 0.347 9 0 "[ . 1 . 2]" 1
644 1 28 ARG H 1 29 ILE MD 3.970 2.970 4.970 4.758 3.344 5.058 0.088 2 0 "[ . 1 . 2]" 1
645 1 28 ARG HA 1 28 ARG QG 2.220 . 3.220 2.679 2.283 3.323 0.103 2 0 "[ . 1 . 2]" 1
646 1 28 ARG HA 1 29 ILE H 2.390 . 3.390 2.662 2.294 2.999 . 0 0 "[ . 1 . 2]" 1
647 1 28 ARG QB 1 28 ARG QD 2.300 . 3.300 2.302 2.046 2.818 . 0 0 "[ . 1 . 2]" 1
648 1 28 ARG QB 1 29 ILE HA 3.830 2.830 4.830 4.340 4.181 4.779 . 0 0 "[ . 1 . 2]" 1
649 1 28 ARG QB 1 29 ILE HG13 4.340 3.340 5.340 4.689 4.200 5.447 0.107 3 0 "[ . 1 . 2]" 1
650 1 28 ARG HB2 1 29 ILE H 3.390 2.390 4.390 4.276 3.992 4.545 0.155 2 0 "[ . 1 . 2]" 1
651 1 28 ARG HB3 1 29 ILE H 3.390 2.390 4.390 4.412 4.227 4.658 0.268 2 0 "[ . 1 . 2]" 1
652 1 29 ILE H 1 29 ILE HB 2.430 . 3.430 2.506 2.416 2.589 . 0 0 "[ . 1 . 2]" 1
653 1 29 ILE H 1 29 ILE MD 2.460 . 3.460 3.513 2.190 3.852 0.392 11 0 "[ . 1 . 2]" 1
654 1 29 ILE H 1 29 ILE HG12 2.890 . 3.890 3.751 3.544 4.385 0.495 19 0 "[ . 1 . 2]" 1
655 1 29 ILE H 1 29 ILE HG13 2.480 . 3.480 2.533 2.177 3.859 0.379 19 0 "[ . 1 . 2]" 1
656 1 29 ILE H 1 29 ILE MG 2.790 . 3.790 3.783 3.753 3.828 0.038 3 0 "[ . 1 . 2]" 1
657 1 29 ILE H 1 30 ALA H 3.800 2.800 4.800 4.431 4.189 4.549 . 0 0 "[ . 1 . 2]" 1
658 1 29 ILE HA 1 29 ILE HG12 2.770 . 3.770 2.716 2.526 3.730 . 0 0 "[ . 1 . 2]" 1
659 1 29 ILE HA 1 29 ILE HG13 2.570 . 3.570 2.906 2.424 3.010 . 0 0 "[ . 1 . 2]" 1
660 1 29 ILE HA 1 29 ILE MG 2.160 . 3.160 2.412 2.355 2.566 . 0 0 "[ . 1 . 2]" 1
661 1 29 ILE HA 1 30 ALA H 1.650 . 2.650 2.139 2.073 2.238 . 0 0 "[ . 1 . 2]" 1
662 1 29 ILE HB 1 29 ILE MD 2.450 . 3.450 2.396 2.310 2.433 . 0 0 "[ . 1 . 2]" 1
663 1 29 ILE HB 1 30 ALA H 3.460 2.460 4.460 4.134 4.034 4.269 . 0 0 "[ . 1 . 2]" 1
664 1 29 ILE HB 1 31 TYR QD 2.640 . 3.640 3.301 2.926 3.649 0.009 2 0 "[ . 1 . 2]" 1
665 1 29 ILE MD 1 31 TYR HB3 4.500 3.500 5.500 5.365 5.110 5.692 0.192 3 0 "[ . 1 . 2]" 1
666 1 29 ILE MD 1 76 LYS H 3.190 2.190 4.190 3.692 3.453 4.453 0.263 19 0 "[ . 1 . 2]" 1
667 1 29 ILE MD 1 76 LYS HA 3.350 2.350 4.350 3.991 3.684 4.425 0.075 3 0 "[ . 1 . 2]" 1
668 1 29 ILE MD 1 76 LYS HB2 3.240 2.240 4.240 4.161 3.962 4.333 0.093 19 0 "[ . 1 . 2]" 1
669 1 29 ILE MD 1 76 LYS HB3 4.240 3.240 5.240 4.495 4.344 4.668 . 0 0 "[ . 1 . 2]" 1
670 1 29 ILE MD 1 76 LYS HD2 2.280 . 3.280 2.301 1.975 2.771 . 0 0 "[ . 1 . 2]" 1
671 1 29 ILE MD 1 76 LYS HG2 2.420 . 3.420 2.750 2.452 3.074 . 0 0 "[ . 1 . 2]" 1
672 1 29 ILE MD 1 76 LYS HG3 2.500 . 3.500 2.120 1.980 2.341 . 0 0 "[ . 1 . 2]" 1
673 1 29 ILE HG12 1 30 ALA H 3.760 2.760 4.760 4.479 4.253 5.194 0.434 3 0 "[ . 1 . 2]" 1
674 1 29 ILE HG12 1 72 ALA HA 4.500 3.500 5.500 5.440 3.859 5.606 0.106 10 0 "[ . 1 . 2]" 1
675 1 29 ILE HG12 1 76 LYS HD2 2.980 . 3.980 3.413 2.591 4.015 0.035 19 0 "[ . 1 . 2]" 1
676 1 29 ILE HG12 1 76 LYS HG3 2.460 . 3.460 3.307 2.799 3.815 0.355 5 0 "[ . 1 . 2]" 1
677 1 29 ILE HG13 1 29 ILE MG 2.560 . 3.560 3.146 2.518 3.222 . 0 0 "[ . 1 . 2]" 1
678 1 29 ILE HG13 1 30 ALA H 3.940 2.940 4.940 4.888 4.199 4.995 0.055 6 0 "[ . 1 . 2]" 1
679 1 29 ILE MG 1 30 ALA H 2.200 . 3.200 2.601 2.452 2.839 . 0 0 "[ . 1 . 2]" 1
680 1 29 ILE MG 1 30 ALA HA 3.180 2.180 4.180 3.928 3.754 4.084 . 0 0 "[ . 1 . 2]" 1
681 1 29 ILE MG 1 30 ALA MB 2.610 . 3.610 3.680 3.608 3.759 0.149 9 0 "[ . 1 . 2]" 1
682 1 29 ILE MG 1 31 TYR H 3.610 2.610 4.610 4.234 3.740 4.512 . 0 0 "[ . 1 . 2]" 1
683 1 29 ILE MG 1 31 TYR QD 3.210 2.210 4.210 3.122 2.572 3.507 . 0 0 "[ . 1 . 2]" 1
684 1 29 ILE MG 1 75 VAL HB 3.640 2.640 4.640 4.072 3.521 4.656 0.016 12 0 "[ . 1 . 2]" 1
685 1 29 ILE MG 1 75 VAL MG2 2.790 . 3.790 3.155 2.757 3.707 . 0 0 "[ . 1 . 2]" 1
686 1 29 ILE MG 1 76 LYS HG2 3.260 2.260 4.260 3.914 3.342 4.297 0.037 19 0 "[ . 1 . 2]" 1
687 1 29 ILE MG 1 79 LEU QD 3.050 2.050 4.050 2.203 2.004 2.423 0.046 20 0 "[ . 1 . 2]" 1
688 1 30 ALA H 1 30 ALA MB 1.720 . 2.720 2.196 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
689 1 30 ALA H 1 31 TYR H 3.560 2.560 4.560 4.446 4.260 4.557 . 0 0 "[ . 1 . 2]" 1
690 1 30 ALA H 1 79 LEU QD 4.080 3.080 5.080 3.542 2.701 4.002 0.379 7 0 "[ . 1 . 2]" 1
691 1 30 ALA HA 1 31 TYR H 1.640 . 2.640 2.197 2.113 2.296 . 0 0 "[ . 1 . 2]" 1
692 1 30 ALA HA 1 31 TYR QD 3.390 2.390 4.390 3.677 3.387 3.913 . 0 0 "[ . 1 . 2]" 1
693 1 30 ALA MB 1 31 TYR H 2.300 . 3.300 3.144 2.822 3.350 0.050 8 0 "[ . 1 . 2]" 1
694 1 30 ALA MB 1 31 TYR HA 3.190 2.190 4.190 3.992 3.867 4.131 . 0 0 "[ . 1 . 2]" 1
695 1 31 TYR H 1 31 TYR HB2 3.170 2.170 4.170 3.867 3.721 3.971 . 0 0 "[ . 1 . 2]" 1
696 1 31 TYR H 1 31 TYR HB3 3.200 2.200 4.200 3.344 3.169 3.499 . 0 0 "[ . 1 . 2]" 1
697 1 31 TYR H 1 31 TYR QD 2.760 . 3.760 2.985 2.629 3.304 . 0 0 "[ . 1 . 2]" 1
698 1 31 TYR H 1 32 ASP H 3.740 2.740 4.740 4.371 4.286 4.424 . 0 0 "[ . 1 . 2]" 1
699 1 31 TYR HA 1 31 TYR QD 3.760 2.760 4.760 3.758 3.732 3.787 . 0 0 "[ . 1 . 2]" 1
700 1 31 TYR HA 1 32 ASP H 1.970 . 2.970 2.353 2.180 2.519 . 0 0 "[ . 1 . 2]" 1
701 1 31 TYR HA 1 32 ASP HA 3.520 2.520 4.520 4.407 4.302 4.485 . 0 0 "[ . 1 . 2]" 1
702 1 31 TYR HA 1 32 ASP QB 3.010 2.010 4.010 3.996 3.937 4.077 0.067 9 0 "[ . 1 . 2]" 1
703 1 31 TYR HB2 1 32 ASP H 2.570 . 3.570 2.361 2.150 2.620 . 0 0 "[ . 1 . 2]" 1
704 1 31 TYR HB3 1 32 ASP H 2.920 . 3.920 3.666 3.520 3.818 . 0 0 "[ . 1 . 2]" 1
705 1 31 TYR QD 1 32 ASP H 3.080 2.080 4.080 3.390 3.103 3.805 . 0 0 "[ . 1 . 2]" 1
706 1 31 TYR QD 1 32 ASP HA 3.670 2.670 4.670 3.713 3.387 4.127 . 0 0 "[ . 1 . 2]" 1
707 1 31 TYR QD 1 33 GLU H 3.550 2.550 4.550 4.031 3.429 4.421 . 0 0 "[ . 1 . 2]" 1
708 1 31 TYR QE 1 33 GLU H 4.060 3.060 5.060 5.043 4.407 5.620 0.560 19 1 "[ . 1 . +2]" 1
709 1 31 TYR QE 1 33 GLU QB 2.980 2.730 3.980 3.236 2.254 4.406 0.476 10 0 "[ . 1 . 2]" 1
710 1 31 TYR QE 1 33 GLU HG2 3.820 2.820 4.820 3.447 2.820 3.981 0.000 12 0 "[ . 1 . 2]" 1
711 1 31 TYR QE 1 33 GLU QG 2.950 . 3.950 3.272 2.580 3.861 . 0 0 "[ . 1 . 2]" 1
712 1 31 TYR QE 1 33 GLU HG3 3.820 2.820 4.820 4.500 2.653 5.199 0.379 19 0 "[ . 1 . 2]" 1
713 1 32 ASP H 1 32 ASP HB2 2.330 . 3.330 2.874 2.332 3.198 . 0 0 "[ . 1 . 2]" 1
714 1 32 ASP H 1 32 ASP QB 1.910 . 2.910 2.451 2.304 2.615 . 0 0 "[ . 1 . 2]" 1
715 1 32 ASP H 1 32 ASP HB3 2.330 . 3.330 2.930 2.404 3.674 0.344 13 0 "[ . 1 . 2]" 1
716 1 32 ASP H 1 33 GLU H 3.570 2.570 4.570 4.327 4.175 4.433 . 0 0 "[ . 1 . 2]" 1
717 1 32 ASP H 1 33 GLU HA 3.910 2.910 4.910 4.703 4.488 4.874 . 0 0 "[ . 1 . 2]" 1
718 1 32 ASP H 1 59 VAL QG 4.440 3.440 5.440 5.425 4.908 5.788 0.348 4 0 "[ . 1 . 2]" 1
719 1 32 ASP HA 1 33 GLU H 1.770 . 2.770 2.248 2.157 2.312 . 0 0 "[ . 1 . 2]" 1
720 1 32 ASP HA 1 33 GLU QB 3.780 2.780 4.780 4.350 4.239 4.571 . 0 0 "[ . 1 . 2]" 1
721 1 32 ASP QB 1 33 GLU H 2.590 . 3.590 3.486 2.925 3.820 0.230 10 0 "[ . 1 . 2]" 1
722 1 32 ASP HB2 1 33 GLU H 3.370 2.370 4.370 4.178 4.071 4.379 0.009 7 0 "[ . 1 . 2]" 1
723 1 32 ASP HB3 1 33 GLU H 3.370 2.370 4.370 3.779 2.997 4.265 . 0 0 "[ . 1 . 2]" 1
724 1 33 GLU H 1 33 GLU QB 2.780 . 3.390 3.000 2.438 3.213 . 0 0 "[ . 1 . 2]" 1
725 1 33 GLU H 1 33 GLU HG2 2.610 . 3.610 2.585 2.138 4.019 0.409 6 0 "[ . 1 . 2]" 1
726 1 33 GLU H 1 33 GLU QG 2.110 . 3.110 2.318 2.100 2.905 . 0 0 "[ . 1 . 2]" 1
727 1 33 GLU H 1 33 GLU HG3 2.610 . 3.610 2.954 2.430 3.274 . 0 0 "[ . 1 . 2]" 1
728 1 33 GLU H 1 34 VAL HB 4.300 3.300 5.300 4.934 4.592 5.305 0.005 13 0 "[ . 1 . 2]" 1
729 1 33 GLU H 1 34 VAL MG1 4.500 3.500 5.500 5.193 4.858 5.505 0.005 13 0 "[ . 1 . 2]" 1
730 1 33 GLU HA 1 33 GLU QG 2.690 . 3.690 3.269 2.444 3.466 . 0 0 "[ . 1 . 2]" 1
731 1 33 GLU HA 1 34 VAL H 2.030 . 3.030 2.163 2.094 2.229 . 0 0 "[ . 1 . 2]" 1
732 1 33 GLU QB 1 34 VAL H 3.340 2.340 3.870 3.006 2.803 3.276 . 0 0 "[ . 1 . 2]" 1
733 1 33 GLU QB 1 34 VAL HA 3.830 2.830 4.830 4.144 3.699 4.343 . 0 0 "[ . 1 . 2]" 1
734 1 34 VAL H 1 34 VAL HB 2.280 . 3.280 3.246 3.105 3.339 0.059 7 0 "[ . 1 . 2]" 1
735 1 34 VAL H 1 34 VAL MG1 2.400 . 3.400 2.381 2.291 2.437 . 0 0 "[ . 1 . 2]" 1
736 1 34 VAL H 1 34 VAL MG2 3.250 2.250 4.250 3.946 3.899 3.973 . 0 0 "[ . 1 . 2]" 1
737 1 34 VAL H 1 35 ASP H 3.490 2.490 4.490 4.281 4.159 4.391 . 0 0 "[ . 1 . 2]" 1
738 1 34 VAL H 1 35 ASP HA 4.020 3.020 5.020 4.481 4.306 4.750 . 0 0 "[ . 1 . 2]" 1
739 1 34 VAL HA 1 34 VAL MG1 2.340 . 3.340 3.253 3.237 3.265 . 0 0 "[ . 1 . 2]" 1
740 1 34 VAL HA 1 34 VAL MG2 2.210 . 3.210 2.401 2.372 2.441 . 0 0 "[ . 1 . 2]" 1
741 1 34 VAL HA 1 35 ASP H 1.660 . 2.660 2.282 2.123 2.409 . 0 0 "[ . 1 . 2]" 1
742 1 34 VAL HA 1 35 ASP QB 3.530 2.530 4.530 4.159 3.929 4.517 . 0 0 "[ . 1 . 2]" 1
743 1 34 VAL HB 1 35 ASP H 3.340 2.340 4.340 4.166 4.060 4.285 . 0 0 "[ . 1 . 2]" 1
744 1 34 VAL MG1 1 35 ASP H 2.790 . 3.790 3.799 3.649 4.022 0.232 6 0 "[ . 1 . 2]" 1
745 1 34 VAL MG1 1 36 ILE MG 3.140 2.140 4.140 3.580 3.333 4.099 . 0 0 "[ . 1 . 2]" 1
746 1 34 VAL MG1 1 39 ASN QD 2.740 . 3.740 3.302 2.823 3.567 . 0 0 "[ . 1 . 2]" 1
747 1 34 VAL MG2 1 35 ASP H 2.320 . 3.320 2.421 2.193 2.713 . 0 0 "[ . 1 . 2]" 1
748 1 34 VAL MG2 1 36 ILE H 4.200 3.200 5.200 5.023 4.733 5.257 0.057 5 0 "[ . 1 . 2]" 1
749 1 34 VAL MG2 1 39 ASN H 4.370 3.370 5.370 4.743 3.775 5.682 0.312 9 0 "[ . 1 . 2]" 1
750 1 34 VAL MG2 1 39 ASN HB2 3.890 2.890 4.890 3.590 2.787 4.032 0.103 15 0 "[ . 1 . 2]" 1
751 1 34 VAL MG2 1 39 ASN QD 2.440 . 3.440 2.026 1.823 2.375 . 0 0 "[ . 1 . 2]" 1
752 1 35 ASP H 1 35 ASP HB2 2.210 . 3.210 2.997 2.458 3.778 0.568 10 4 "[ . +* * - 2]" 1
753 1 35 ASP H 1 35 ASP HB3 2.210 . 3.210 2.600 2.165 3.661 0.451 20 0 "[ . 1 . 2]" 1
754 1 35 ASP H 1 36 ILE H 3.730 2.730 4.730 4.512 4.447 4.602 . 0 0 "[ . 1 . 2]" 1
755 1 35 ASP HA 1 36 ILE H 1.940 . 2.940 2.150 2.065 2.228 . 0 0 "[ . 1 . 2]" 1
756 1 35 ASP HA 1 36 ILE MG 3.140 2.140 4.140 3.389 3.208 3.804 . 0 0 "[ . 1 . 2]" 1
757 1 35 ASP HA 1 37 GLU H 3.200 2.200 4.200 3.907 3.603 4.173 . 0 0 "[ . 1 . 2]" 1
758 1 35 ASP HA 1 38 HIS H 4.420 3.420 5.420 5.118 4.543 5.794 0.374 7 0 "[ . 1 . 2]" 1
759 1 35 ASP QB 1 36 ILE H 2.940 . 3.940 3.271 2.673 3.596 . 0 0 "[ . 1 . 2]" 1
760 1 35 ASP QB 1 38 HIS H 3.670 2.670 4.670 3.545 2.928 4.343 . 0 0 "[ . 1 . 2]" 1
761 1 35 ASP HB2 1 36 ILE H 3.560 2.560 4.560 3.648 2.720 4.147 . 0 0 "[ . 1 . 2]" 1
762 1 35 ASP HB3 1 36 ILE H 3.560 2.560 4.560 3.913 2.859 4.210 . 0 0 "[ . 1 . 2]" 1
763 1 36 ILE H 1 36 ILE MD 2.770 . 3.770 3.640 3.404 3.816 0.046 1 0 "[ . 1 . 2]" 1
764 1 36 ILE H 1 36 ILE HG12 2.490 . 3.490 2.009 1.797 2.217 . 0 0 "[ . 1 . 2]" 1
765 1 36 ILE H 1 36 ILE QG 1.870 . 2.870 1.983 1.781 2.179 . 0 0 "[ . 1 . 2]" 1
766 1 36 ILE H 1 36 ILE HG13 2.490 . 3.490 3.069 2.930 3.221 . 0 0 "[ . 1 . 2]" 1
767 1 36 ILE H 1 36 ILE MG 2.070 . 3.070 2.319 2.176 2.591 . 0 0 "[ . 1 . 2]" 1
768 1 36 ILE H 1 37 GLU H 2.400 . 3.400 2.502 2.325 2.657 . 0 0 "[ . 1 . 2]" 1
769 1 36 ILE H 1 37 GLU QG 4.500 3.500 5.500 5.063 3.113 6.205 0.705 2 8 "[ +**.* 1** *.- 2]" 1
770 1 36 ILE H 1 38 HIS H 4.310 3.310 5.310 4.388 3.824 4.795 . 0 0 "[ . 1 . 2]" 1
771 1 36 ILE H 1 39 ASN H 4.500 3.500 5.500 4.941 4.625 5.392 . 0 0 "[ . 1 . 2]" 1
772 1 36 ILE H 1 42 ALA MB 3.790 2.790 4.790 4.896 4.429 5.352 0.562 7 3 "[ . + 1 . - *]" 1
773 1 36 ILE H 1 43 ALA MB 4.500 3.500 5.500 5.057 4.805 5.360 . 0 0 "[ . 1 . 2]" 1
774 1 36 ILE HA 1 36 ILE MD 3.400 2.400 4.400 4.182 4.146 4.213 . 0 0 "[ . 1 . 2]" 1
775 1 36 ILE HA 1 36 ILE MG 2.100 . 3.100 2.304 2.266 2.353 . 0 0 "[ . 1 . 2]" 1
776 1 36 ILE HA 1 38 HIS H 3.210 2.210 4.210 4.125 3.454 4.810 0.600 9 1 "[ . +1 . 2]" 1
777 1 36 ILE HA 1 39 ASN H 2.680 . 3.680 3.186 2.870 3.687 0.007 9 0 "[ . 1 . 2]" 1
778 1 36 ILE HA 1 39 ASN HB2 3.490 2.490 4.490 2.879 2.446 4.018 0.044 10 0 "[ . 1 . 2]" 1
779 1 36 ILE HA 1 42 ALA MB 2.400 . 3.400 2.679 2.265 3.230 . 0 0 "[ . 1 . 2]" 1
780 1 36 ILE HA 1 43 ALA H 3.340 2.340 4.340 3.735 3.257 4.408 0.068 7 0 "[ . 1 . 2]" 1
781 1 36 ILE HA 1 43 ALA MB 3.390 2.390 4.390 3.495 3.238 3.976 . 0 0 "[ . 1 . 2]" 1
782 1 36 ILE HB 1 37 GLU H 3.170 2.170 4.170 4.171 3.956 4.351 0.181 13 0 "[ . 1 . 2]" 1
783 1 36 ILE HB 1 43 ALA H 2.900 . 3.900 3.328 2.917 3.798 . 0 0 "[ . 1 . 2]" 1
784 1 36 ILE HB 1 43 ALA HA 2.440 . 3.440 2.191 2.017 2.476 . 0 0 "[ . 1 . 2]" 1
785 1 36 ILE HB 1 43 ALA MB 2.080 . 3.080 2.252 1.962 2.912 . 0 0 "[ . 1 . 2]" 1
786 1 36 ILE HB 1 44 GLU H 4.380 3.380 5.380 5.135 4.816 5.543 0.163 20 0 "[ . 1 . 2]" 1
787 1 36 ILE MD 1 36 ILE MG 1.810 . 2.810 1.950 1.846 2.065 . 0 0 "[ . 1 . 2]" 1
788 1 36 ILE MD 1 37 GLU H 3.460 2.460 4.460 4.422 4.069 4.701 0.241 13 0 "[ . 1 . 2]" 1
789 1 36 ILE MD 1 37 GLU HA 3.690 2.690 4.690 4.700 4.523 4.760 0.070 3 0 "[ . 1 . 2]" 1
790 1 36 ILE MD 1 43 ALA H 4.500 3.500 5.500 4.954 4.159 5.555 0.055 5 0 "[ . 1 . 2]" 1
791 1 36 ILE MD 1 43 ALA HA 2.640 . 3.640 2.874 2.032 3.657 0.017 5 0 "[ . 1 . 2]" 1
792 1 36 ILE MD 1 44 GLU H 4.500 3.500 5.500 5.808 4.910 6.544 1.044 5 6 "[ * + *1 * .- *]" 1
793 1 36 ILE QG 1 37 GLU H 2.610 . 3.610 2.762 2.430 3.084 . 0 0 "[ . 1 . 2]" 1
794 1 36 ILE QG 1 37 GLU HA 3.230 2.230 4.230 3.300 3.128 3.402 . 0 0 "[ . 1 . 2]" 1
795 1 36 ILE QG 1 37 GLU QB 3.250 2.250 4.250 3.492 2.741 4.334 0.084 7 0 "[ . 1 . 2]" 1
796 1 36 ILE QG 1 43 ALA H 4.340 3.340 5.340 5.162 4.900 5.479 0.139 5 0 "[ . 1 . 2]" 1
797 1 36 ILE QG 1 43 ALA HA 3.380 2.380 4.380 3.927 3.664 4.371 . 0 0 "[ . 1 . 2]" 1
798 1 36 ILE QG 1 43 ALA MB 3.020 2.020 4.020 3.255 2.910 3.543 . 0 0 "[ . 1 . 2]" 1
799 1 36 ILE HG12 1 37 GLU H 3.230 2.230 4.230 3.277 2.736 3.612 . 0 0 "[ . 1 . 2]" 1
800 1 36 ILE HG13 1 37 GLU H 3.230 2.230 4.230 2.978 2.616 3.386 . 0 0 "[ . 1 . 2]" 1
801 1 36 ILE MG 1 39 ASN H 4.200 3.200 5.200 4.953 4.672 5.388 0.188 9 0 "[ . 1 . 2]" 1
802 1 36 ILE MG 1 39 ASN HB2 4.110 3.110 5.110 4.204 3.542 5.130 0.020 15 0 "[ . 1 . 2]" 1
803 1 36 ILE MG 1 42 ALA H 4.420 3.420 5.420 5.030 4.423 5.724 0.304 20 0 "[ . 1 . 2]" 1
804 1 36 ILE MG 1 42 ALA MB 1.990 . 2.990 2.502 1.961 3.019 0.029 18 0 "[ . 1 . 2]" 1
805 1 36 ILE MG 1 43 ALA H 3.320 2.320 4.320 3.813 3.332 4.535 0.215 20 0 "[ . 1 . 2]" 1
806 1 36 ILE MG 1 43 ALA HA 2.670 . 3.670 2.947 2.576 3.548 . 0 0 "[ . 1 . 2]" 1
807 1 36 ILE MG 1 46 VAL H 3.840 2.840 4.840 4.245 3.886 4.573 . 0 0 "[ . 1 . 2]" 1
808 1 36 ILE MG 1 46 VAL HB 3.470 2.470 4.470 3.371 3.125 4.414 . 0 0 "[ . 1 . 2]" 1
809 1 36 ILE MG 1 46 VAL QG 2.830 . 3.000 1.839 1.778 2.167 0.052 19 0 "[ . 1 . 2]" 1
810 1 37 GLU H 1 37 GLU HB2 2.610 . 3.610 2.669 1.981 3.679 0.069 1 0 "[ . 1 . 2]" 1
811 1 37 GLU H 1 37 GLU QB 1.900 . 2.900 2.367 1.962 2.947 0.047 1 0 "[ . 1 . 2]" 1
812 1 37 GLU H 1 37 GLU HB3 2.610 . 3.610 2.887 2.377 3.657 0.047 15 0 "[ . 1 . 2]" 1
813 1 37 GLU H 1 37 GLU QG 2.650 . 3.650 3.236 1.911 4.066 0.416 2 0 "[ . 1 . 2]" 1
814 1 37 GLU H 1 38 HIS H 2.320 . 3.320 2.440 2.184 2.816 . 0 0 "[ . 1 . 2]" 1
815 1 37 GLU H 1 38 HIS QB 3.750 2.750 4.750 4.402 3.925 4.954 0.204 2 0 "[ . 1 . 2]" 1
816 1 37 GLU H 1 39 ASN H 3.250 2.250 4.250 3.733 3.145 4.285 0.035 20 0 "[ . 1 . 2]" 1
817 1 37 GLU HA 1 37 GLU QG 3.040 2.040 4.040 2.801 2.280 3.347 . 0 0 "[ . 1 . 2]" 1
818 1 37 GLU HA 1 39 ASN H 3.350 2.350 4.350 4.132 3.468 4.672 0.322 10 0 "[ . 1 . 2]" 1
819 1 37 GLU QB 1 38 HIS H 2.760 . 3.760 2.845 2.349 3.821 0.061 20 0 "[ . 1 . 2]" 1
820 1 37 GLU QB 1 39 ASN H 3.770 2.770 4.770 4.650 4.231 5.391 0.621 1 2 "[+ . 1 . -2]" 1
821 1 37 GLU HB2 1 38 HIS H 3.290 2.290 4.290 3.584 2.611 4.206 . 0 0 "[ . 1 . 2]" 1
822 1 37 GLU HB2 1 39 ASN H 4.500 3.500 5.500 5.378 4.822 5.956 0.456 1 0 "[ . 1 . 2]" 1
823 1 37 GLU HB3 1 38 HIS H 3.290 2.290 4.290 3.224 2.385 4.402 0.112 1 0 "[ . 1 . 2]" 1
824 1 37 GLU HB3 1 39 ASN H 4.500 3.500 5.500 5.173 4.508 6.179 0.679 19 2 "[- . 1 . +2]" 1
825 1 37 GLU QG 1 38 HIS H 3.810 2.810 4.810 3.722 2.297 4.394 0.513 19 1 "[ . 1 . +2]" 1
826 1 38 HIS H 1 38 HIS QB 3.000 . 3.630 2.360 2.194 2.788 . 0 0 "[ . 1 . 2]" 1
827 1 38 HIS H 1 39 ASN H 2.220 . 3.220 2.424 2.231 2.665 . 0 0 "[ . 1 . 2]" 1
828 1 38 HIS H 1 39 ASN HA 4.500 3.500 5.500 5.057 4.877 5.238 . 0 0 "[ . 1 . 2]" 1
829 1 38 HIS H 1 39 ASN HB2 3.870 2.870 4.870 4.634 4.345 5.036 0.166 3 0 "[ . 1 . 2]" 1
830 1 38 HIS H 1 39 ASN QD 4.140 3.140 5.140 4.793 3.589 6.604 1.464 15 6 "[* * .* 1 * + -2]" 1
831 1 38 HIS HA 1 39 ASN H 2.520 . 3.520 3.410 3.017 3.562 0.042 19 0 "[ . 1 . 2]" 1
832 1 38 HIS QB 1 39 ASN H 2.390 2.340 3.390 3.015 2.393 3.664 0.274 2 0 "[ . 1 . 2]" 1
833 1 38 HIS QB 1 39 ASN QD 3.350 2.350 4.350 3.869 2.717 5.399 1.049 15 4 "[* .* 1 - + 2]" 1
834 1 39 ASN H 1 39 ASN HB2 2.530 . 3.530 2.599 2.406 2.782 . 0 0 "[ . 1 . 2]" 1
835 1 39 ASN H 1 39 ASN HB3 2.970 . 3.970 3.685 2.593 3.864 . 0 0 "[ . 1 . 2]" 1
836 1 39 ASN H 1 39 ASN QD 3.980 2.980 4.980 3.569 2.439 4.647 0.541 10 1 "[ . + . 2]" 1
837 1 39 ASN H 1 40 ARG H 3.540 2.540 4.540 4.001 3.706 4.189 . 0 0 "[ . 1 . 2]" 1
838 1 39 ASN H 1 42 ALA MB 3.110 2.110 4.110 4.090 3.676 4.382 0.272 7 0 "[ . 1 . 2]" 1
839 1 39 ASN HA 1 39 ASN QD 3.760 2.760 4.760 3.829 3.657 4.119 . 0 0 "[ . 1 . 2]" 1
840 1 39 ASN HA 1 40 ARG H 2.320 . 3.320 2.142 1.955 2.232 . 0 0 "[ . 1 . 2]" 1
841 1 39 ASN HA 1 40 ARG HB2 4.500 3.500 5.500 4.621 4.374 4.889 . 0 0 "[ . 1 . 2]" 1
842 1 39 ASN HA 1 40 ARG HB3 4.500 3.500 5.500 4.582 4.103 4.768 . 0 0 "[ . 1 . 2]" 1
843 1 39 ASN HA 1 41 ALA H 4.140 3.140 5.140 3.785 3.461 4.098 . 0 0 "[ . 1 . 2]" 1
844 1 39 ASN HA 1 42 ALA MB 3.910 2.910 4.910 4.275 4.090 4.472 . 0 0 "[ . 1 . 2]" 1
845 1 39 ASN HB2 1 39 ASN QD 2.640 . 3.640 2.253 2.064 2.796 . 0 0 "[ . 1 . 2]" 1
846 1 39 ASN HB2 1 42 ALA H 3.640 2.640 4.640 3.607 3.246 4.514 . 0 0 "[ . 1 . 2]" 1
847 1 39 ASN HB2 1 42 ALA MB 2.730 . 3.730 2.278 2.009 3.529 . 0 0 "[ . 1 . 2]" 1
848 1 39 ASN HB3 1 39 ASN QD 3.070 2.070 4.070 2.904 2.123 3.270 . 0 0 "[ . 1 . 2]" 1
849 1 39 ASN HB3 1 40 ARG H 4.250 3.250 5.250 3.848 3.581 4.403 . 0 0 "[ . 1 . 2]" 1
850 1 39 ASN HB3 1 42 ALA H 3.230 2.230 4.230 2.671 2.434 3.437 . 0 0 "[ . 1 . 2]" 1
851 1 39 ASN HB3 1 42 ALA MB 2.570 . 3.570 2.409 2.095 2.749 . 0 0 "[ . 1 . 2]" 1
852 1 39 ASN HB3 1 43 ALA H 3.900 2.900 4.900 4.110 3.858 4.362 . 0 0 "[ . 1 . 2]" 1
853 1 39 ASN QD 1 42 ALA H 4.020 3.020 5.020 4.906 3.627 5.497 0.477 17 0 "[ . 1 . 2]" 1
854 1 39 ASN QD 1 42 ALA MB 3.510 2.510 4.100 3.249 2.733 3.596 . 0 0 "[ . 1 . 2]" 1
855 1 40 ARG H 1 40 ARG HB2 2.800 . 3.800 2.549 2.317 2.719 . 0 0 "[ . 1 . 2]" 1
856 1 40 ARG H 1 40 ARG QB 2.330 . 3.330 2.264 2.126 2.378 . 0 0 "[ . 1 . 2]" 1
857 1 40 ARG H 1 40 ARG HB3 2.800 . 3.800 2.546 2.310 2.647 . 0 0 "[ . 1 . 2]" 1
858 1 40 ARG H 1 40 ARG QG 4.340 3.340 5.340 3.975 3.905 4.023 . 0 0 "[ . 1 . 2]" 1
859 1 40 ARG H 1 41 ALA H 3.120 2.120 4.120 2.748 2.510 3.048 . 0 0 "[ . 1 . 2]" 1
860 1 40 ARG H 1 41 ALA MB 3.400 2.400 4.400 4.455 4.249 4.698 0.298 8 0 "[ . 1 . 2]" 1
861 1 40 ARG HA 1 40 ARG HD2 4.440 3.440 5.440 4.431 3.388 4.859 0.052 3 0 "[ . 1 . 2]" 1
862 1 40 ARG HA 1 40 ARG QD 3.620 2.620 4.620 4.012 3.186 4.267 . 0 0 "[ . 1 . 2]" 1
863 1 40 ARG HA 1 40 ARG HD3 4.440 3.440 5.440 4.620 3.876 4.886 . 0 0 "[ . 1 . 2]" 1
864 1 40 ARG HA 1 40 ARG HG2 2.700 . 3.700 3.157 2.985 3.756 0.056 3 0 "[ . 1 . 2]" 1
865 1 40 ARG HA 1 40 ARG QG 2.080 . 3.080 2.470 2.373 2.762 . 0 0 "[ . 1 . 2]" 1
866 1 40 ARG HA 1 40 ARG HG3 2.700 . 3.700 2.585 2.451 2.842 . 0 0 "[ . 1 . 2]" 1
867 1 40 ARG HA 1 42 ALA H 3.310 2.310 4.310 4.249 3.951 4.530 0.220 16 0 "[ . 1 . 2]" 1
868 1 40 ARG HA 1 43 ALA H 2.800 . 3.800 3.330 2.770 3.792 . 0 0 "[ . 1 . 2]" 1
869 1 40 ARG HA 1 43 ALA MB 2.210 . 3.210 2.501 2.093 3.044 . 0 0 "[ . 1 . 2]" 1
870 1 40 ARG QB 1 40 ARG QD 2.330 . 3.330 2.215 2.054 2.377 . 0 0 "[ . 1 . 2]" 1
871 1 40 ARG QB 1 41 ALA H 2.480 . 3.480 2.666 2.316 3.055 . 0 0 "[ . 1 . 2]" 1
872 1 40 ARG QB 1 42 ALA H 4.220 3.220 5.220 4.698 4.512 4.893 . 0 0 "[ . 1 . 2]" 1
873 1 40 ARG QG 1 41 ALA H 3.500 2.500 4.500 3.643 3.094 4.065 . 0 0 "[ . 1 . 2]" 1
874 1 40 ARG QG 1 41 ALA HA 3.430 2.430 4.430 3.603 2.946 4.078 . 0 0 "[ . 1 . 2]" 1
875 1 40 ARG QG 1 44 GLU QB 3.130 2.130 4.130 3.363 2.519 3.910 . 0 0 "[ . 1 . 2]" 1
876 1 41 ALA H 1 41 ALA MB 1.700 . 2.700 2.265 2.216 2.300 . 0 0 "[ . 1 . 2]" 1
877 1 41 ALA H 1 42 ALA H 2.120 . 3.120 2.555 2.429 2.672 . 0 0 "[ . 1 . 2]" 1
878 1 41 ALA H 1 42 ALA HA 4.210 3.210 5.210 5.181 5.082 5.290 0.080 18 0 "[ . 1 . 2]" 1
879 1 41 ALA H 1 42 ALA MB 3.240 2.240 4.240 4.300 4.168 4.423 0.183 9 0 "[ . 1 . 2]" 1
880 1 41 ALA H 1 43 ALA H 3.500 2.500 4.500 4.055 3.808 4.311 . 0 0 "[ . 1 . 2]" 1
881 1 41 ALA HA 1 44 GLU H 2.870 . 3.870 3.447 3.219 3.809 . 0 0 "[ . 1 . 2]" 1
882 1 41 ALA HA 1 44 GLU QB 3.010 2.010 4.010 2.721 2.274 4.054 0.044 16 0 "[ . 1 . 2]" 1
883 1 41 ALA HA 1 44 GLU QG 3.810 2.810 4.100 3.873 2.072 4.203 0.738 16 1 "[ . 1 .+ 2]" 1
884 1 41 ALA MB 1 42 ALA H 2.170 . 3.170 2.648 2.435 2.900 . 0 0 "[ . 1 . 2]" 1
885 1 41 ALA MB 1 44 GLU QB 4.340 3.340 5.340 3.958 3.563 5.217 . 0 0 "[ . 1 . 2]" 1
886 1 41 ALA MB 1 45 PHE H 3.960 2.960 4.960 4.598 4.304 4.864 . 0 0 "[ . 1 . 2]" 1
887 1 41 ALA MB 1 45 PHE HB2 3.540 2.540 4.540 4.503 4.202 4.609 0.069 10 0 "[ . 1 . 2]" 1
888 1 42 ALA H 1 42 ALA MB 1.730 . 2.730 2.285 2.231 2.316 . 0 0 "[ . 1 . 2]" 1
889 1 42 ALA H 1 43 ALA H 1.980 . 2.980 2.530 2.372 2.646 . 0 0 "[ . 1 . 2]" 1
890 1 42 ALA H 1 44 GLU H 3.540 2.540 4.540 3.986 3.812 4.161 . 0 0 "[ . 1 . 2]" 1
891 1 42 ALA HA 1 43 ALA HA 3.890 2.890 4.890 4.829 4.778 4.891 0.001 1 0 "[ . 1 . 2]" 1
892 1 42 ALA HA 1 45 PHE HB3 2.380 . 3.380 2.488 2.309 2.686 . 0 0 "[ . 1 . 2]" 1
893 1 42 ALA HA 1 46 VAL H 3.060 2.060 4.060 3.847 3.625 3.966 . 0 0 "[ . 1 . 2]" 1
894 1 42 ALA HA 1 46 VAL QG 3.730 2.730 4.730 4.098 3.608 4.252 . 0 0 "[ . 1 . 2]" 1
895 1 42 ALA MB 1 43 ALA H 1.770 . 2.770 2.532 2.441 2.626 . 0 0 "[ . 1 . 2]" 1
896 1 42 ALA MB 1 45 PHE H 3.860 2.860 4.860 4.534 4.416 4.649 . 0 0 "[ . 1 . 2]" 1
897 1 42 ALA MB 1 45 PHE QD 3.220 2.220 4.220 4.268 4.100 4.338 0.118 2 0 "[ . 1 . 2]" 1
898 1 42 ALA MB 1 46 VAL H 3.500 2.500 4.500 4.275 4.072 4.379 . 0 0 "[ . 1 . 2]" 1
899 1 42 ALA MB 1 46 VAL QG 3.380 2.380 4.380 3.499 3.231 3.665 . 0 0 "[ . 1 . 2]" 1
900 1 43 ALA H 1 43 ALA MB 1.730 . 2.730 2.235 2.210 2.255 . 0 0 "[ . 1 . 2]" 1
901 1 43 ALA H 1 44 GLU H 1.900 . 2.900 2.663 2.567 2.785 . 0 0 "[ . 1 . 2]" 1
902 1 43 ALA H 1 44 GLU QB 4.320 3.320 5.320 4.377 4.205 5.104 . 0 0 "[ . 1 . 2]" 1
903 1 43 ALA H 1 46 VAL QG 3.870 2.870 4.870 3.854 3.740 4.041 . 0 0 "[ . 1 . 2]" 1
904 1 43 ALA HA 1 45 PHE H 3.660 2.660 4.660 4.410 4.110 4.623 . 0 0 "[ . 1 . 2]" 1
905 1 43 ALA HA 1 46 VAL H 3.130 2.130 4.130 3.624 3.502 3.844 . 0 0 "[ . 1 . 2]" 1
906 1 43 ALA HA 1 46 VAL HB 4.080 3.080 5.080 4.499 4.273 5.121 0.041 12 0 "[ . 1 . 2]" 1
907 1 43 ALA HA 1 46 VAL QG 2.820 . 3.820 2.047 1.919 2.240 . 0 0 "[ . 1 . 2]" 1
908 1 43 ALA MB 1 44 GLU H 2.020 . 3.020 2.495 2.342 2.719 . 0 0 "[ . 1 . 2]" 1
909 1 43 ALA MB 1 44 GLU HA 2.870 . 3.870 3.831 3.727 3.880 0.010 6 0 "[ . 1 . 2]" 1
910 1 43 ALA MB 1 44 GLU QB 3.090 2.090 4.090 3.746 3.623 3.828 . 0 0 "[ . 1 . 2]" 1
911 1 43 ALA MB 1 45 PHE H 4.180 3.180 5.180 4.480 4.298 4.671 . 0 0 "[ . 1 . 2]" 1
912 1 44 GLU H 1 44 GLU HB2 2.720 . 3.720 2.525 2.216 3.644 . 0 0 "[ . 1 . 2]" 1
913 1 44 GLU H 1 44 GLU QB 1.950 . 2.950 2.221 2.128 2.643 . 0 0 "[ . 1 . 2]" 1
914 1 44 GLU H 1 44 GLU HB3 2.720 . 3.720 2.542 2.360 2.751 . 0 0 "[ . 1 . 2]" 1
915 1 44 GLU H 1 44 GLU QG 2.780 . 3.130 3.809 2.000 4.043 0.913 3 18 "[**+*****-****** ***2]" 1
916 1 44 GLU H 1 45 PHE H 1.760 . 2.760 2.592 2.386 2.714 . 0 0 "[ . 1 . 2]" 1
917 1 44 GLU H 1 45 PHE HB2 4.320 3.320 5.320 4.967 4.713 5.169 . 0 0 "[ . 1 . 2]" 1
918 1 44 GLU H 1 45 PHE HB3 3.660 2.660 4.660 4.629 4.374 4.743 0.083 17 0 "[ . 1 . 2]" 1
919 1 44 GLU H 1 46 VAL QG 4.440 3.440 5.440 4.200 4.068 4.374 . 0 0 "[ . 1 . 2]" 1
920 1 44 GLU HA 1 44 GLU QG 2.970 . 3.440 2.856 2.477 3.394 . 0 0 "[ . 1 . 2]" 1
921 1 44 GLU HA 1 46 VAL H 4.500 3.500 5.500 4.917 4.706 5.060 . 0 0 "[ . 1 . 2]" 1
922 1 44 GLU QB 1 44 GLU QG 1.360 . 2.360 2.008 1.936 2.072 . 0 0 "[ . 1 . 2]" 1
923 1 44 GLU QB 1 45 PHE HA 4.340 3.340 5.340 4.100 3.941 4.610 . 0 0 "[ . 1 . 2]" 1
924 1 44 GLU QB 1 48 SER H 4.340 3.340 5.340 5.568 5.178 6.077 0.737 12 4 "[ * - 1*+ . 2]" 1
925 1 44 GLU HB2 1 45 PHE H 3.140 2.140 4.140 3.716 3.573 4.027 . 0 0 "[ . 1 . 2]" 1
926 1 44 GLU HB3 1 45 PHE H 3.140 2.140 4.140 2.573 2.163 4.194 0.054 16 0 "[ . 1 . 2]" 1
927 1 44 GLU QG 1 45 PHE H 3.840 2.840 4.000 3.516 2.226 4.003 0.614 20 1 "[ . 1 . +]" 1
928 1 44 GLU QG 1 45 PHE HA 4.060 3.060 5.060 3.866 3.155 4.610 . 0 0 "[ . 1 . 2]" 1
929 1 45 PHE H 1 45 PHE HB2 2.140 . 3.140 2.543 2.431 2.650 . 0 0 "[ . 1 . 2]" 1
930 1 45 PHE H 1 45 PHE HB3 2.130 . 3.130 2.431 2.347 2.520 . 0 0 "[ . 1 . 2]" 1
931 1 45 PHE H 1 45 PHE QD 3.310 2.310 4.310 4.156 4.115 4.213 . 0 0 "[ . 1 . 2]" 1
932 1 45 PHE H 1 46 VAL H 2.150 . 3.150 2.854 2.641 2.984 . 0 0 "[ . 1 . 2]" 1
933 1 45 PHE H 1 46 VAL HA 4.340 3.340 5.340 5.391 5.226 5.506 0.166 19 0 "[ . 1 . 2]" 1
934 1 45 PHE H 1 46 VAL QG 3.370 2.370 4.370 3.890 3.548 4.087 . 0 0 "[ . 1 . 2]" 1
935 1 45 PHE HA 1 45 PHE QD 2.220 . 3.220 2.696 2.457 2.842 . 0 0 "[ . 1 . 2]" 1
936 1 45 PHE HA 1 45 PHE QE 3.940 2.940 4.940 4.641 4.570 4.715 . 0 0 "[ . 1 . 2]" 1
937 1 45 PHE HA 1 46 VAL HA 3.920 2.920 4.920 4.710 4.535 4.795 . 0 0 "[ . 1 . 2]" 1
938 1 45 PHE HA 1 49 VAL MG1 3.820 2.820 4.820 4.152 3.534 4.833 0.013 12 0 "[ . 1 . 2]" 1
939 1 45 PHE HB2 1 46 VAL H 2.910 . 3.910 3.735 3.655 3.896 . 0 0 "[ . 1 . 2]" 1
940 1 45 PHE HB3 1 46 VAL H 2.370 . 3.370 2.283 2.182 2.498 . 0 0 "[ . 1 . 2]" 1
941 1 45 PHE HB3 1 46 VAL HB 3.860 2.860 4.860 4.271 4.092 5.717 0.857 12 1 "[ . 1 + . 2]" 1
942 1 45 PHE HB3 1 46 VAL QG 3.450 2.450 4.450 3.621 3.150 3.799 . 0 0 "[ . 1 . 2]" 1
943 1 45 PHE QD 1 46 VAL H 2.840 . 3.840 3.016 2.857 3.462 . 0 0 "[ . 1 . 2]" 1
944 1 45 PHE QD 1 46 VAL HA 2.900 . 3.900 3.432 3.195 3.908 0.008 12 0 "[ . 1 . 2]" 1
945 1 45 PHE QD 1 46 VAL QG . 2.770 3.730 3.668 2.662 3.771 0.108 12 0 "[ . 1 . 2]" 1
946 1 45 PHE QD 1 49 VAL H 4.390 3.390 5.390 5.396 5.121 5.719 0.329 12 0 "[ . 1 . 2]" 1
947 1 45 PHE QD 1 49 VAL MG1 3.210 2.210 4.210 3.945 3.530 4.220 0.010 15 0 "[ . 1 . 2]" 1
948 1 45 PHE QD 1 49 VAL MG2 3.220 2.220 4.220 3.636 3.403 4.031 . 0 0 "[ . 1 . 2]" 1
949 1 45 PHE QD 1 58 THR MG 3.660 2.660 4.660 4.714 4.678 4.740 0.080 8 0 "[ . 1 . 2]" 1
950 1 45 PHE QD 1 66 THR MG 3.630 2.630 4.630 3.830 3.631 4.008 . 0 0 "[ . 1 . 2]" 1
951 1 45 PHE QE 1 46 VAL H 4.180 3.180 5.180 5.115 4.998 5.318 0.138 12 0 "[ . 1 . 2]" 1
952 1 45 PHE QE 1 49 VAL MG1 2.610 . 3.610 3.517 3.194 3.661 0.051 6 0 "[ . 1 . 2]" 1
953 1 45 PHE QE 1 60 LYS HA 3.750 2.750 4.750 4.400 4.128 4.756 0.006 5 0 "[ . 1 . 2]" 1
954 1 45 PHE QE 1 60 LYS HB2 3.450 2.450 4.450 2.793 2.410 4.456 0.040 19 0 "[ . 1 . 2]" 1
955 1 45 PHE QE 1 60 LYS QD 2.900 . 3.900 2.955 2.451 3.937 0.037 8 0 "[ . 1 . 2]" 1
956 1 45 PHE QE 1 60 LYS QE 4.180 3.180 5.180 4.530 3.994 5.161 . 0 0 "[ . 1 . 2]" 1
957 1 45 PHE QE 1 60 LYS QG 3.310 2.310 4.310 3.165 2.120 3.752 0.190 8 0 "[ . 1 . 2]" 1
958 1 45 PHE QE 1 66 THR HB 3.740 2.740 4.740 4.533 4.341 4.745 0.005 4 0 "[ . 1 . 2]" 1
959 1 45 PHE QE 1 66 THR MG 2.390 . 3.390 2.143 1.973 2.391 . 0 0 "[ . 1 . 2]" 1
960 1 45 PHE HZ 1 58 THR MG 4.200 3.200 5.200 5.104 4.827 5.220 0.020 12 0 "[ . 1 . 2]" 1
961 1 45 PHE HZ 1 60 LYS QD 3.400 2.400 4.400 3.154 2.379 4.148 0.021 10 0 "[ . 1 . 2]" 1
962 1 45 PHE HZ 1 60 LYS QG 3.100 2.100 4.100 3.011 2.581 3.614 . 0 0 "[ . 1 . 2]" 1
963 1 45 PHE HZ 1 66 THR MG 2.470 . 3.470 2.282 2.074 2.580 . 0 0 "[ . 1 . 2]" 1
964 1 46 VAL H 1 46 VAL HB 2.110 . 3.110 2.758 2.664 3.707 0.597 12 1 "[ . 1 + . 2]" 1
965 1 46 VAL H 1 46 VAL QG . . 2.840 1.997 1.885 2.107 . 0 0 "[ . 1 . 2]" 1
966 1 46 VAL H 1 47 GLY H 2.160 . 3.160 2.699 2.603 2.810 . 0 0 "[ . 1 . 2]" 1
967 1 46 VAL H 1 47 GLY QA 4.340 3.340 5.340 4.563 4.472 4.656 . 0 0 "[ . 1 . 2]" 1
968 1 46 VAL H 1 48 SER H 3.310 2.310 4.310 4.201 4.031 4.501 0.191 5 0 "[ . 1 . 2]" 1
969 1 46 VAL H 1 49 VAL MG1 4.290 3.290 5.290 5.249 4.839 5.516 0.226 12 0 "[ . 1 . 2]" 1
970 1 46 VAL H 1 49 VAL MG2 3.650 2.650 4.650 3.959 3.865 4.120 . 0 0 "[ . 1 . 2]" 1
971 1 46 VAL H 1 58 THR HB 4.500 3.500 5.500 5.649 5.432 5.762 0.262 16 0 "[ . 1 . 2]" 1
972 1 46 VAL HA 1 46 VAL QG 3.010 2.010 4.010 2.317 2.210 2.358 . 0 0 "[ . 1 . 2]" 1
973 1 46 VAL HA 1 48 SER H 4.160 3.160 5.160 4.005 3.552 4.235 . 0 0 "[ . 1 . 2]" 1
974 1 46 VAL HA 1 49 VAL H 3.360 2.360 4.360 3.252 3.013 3.403 . 0 0 "[ . 1 . 2]" 1
975 1 46 VAL HA 1 49 VAL MG1 3.590 2.590 4.590 3.848 3.627 3.970 . 0 0 "[ . 1 . 2]" 1
976 1 46 VAL HA 1 49 VAL MG2 2.410 . 3.410 1.881 1.777 1.935 . 0 0 "[ . 1 . 2]" 1
977 1 46 VAL HA 1 50 ASN H 4.270 3.270 5.270 4.633 4.268 4.872 . 0 0 "[ . 1 . 2]" 1
978 1 46 VAL HA 1 50 ASN HA 4.390 3.390 5.390 5.350 5.052 5.415 0.025 7 0 "[ . 1 . 2]" 1
979 1 46 VAL HA 1 50 ASN QD 3.430 3.080 4.430 3.927 3.624 4.074 . 0 0 "[ . 1 . 2]" 1
980 1 46 VAL HA 1 58 THR HB 3.310 2.310 4.310 3.626 3.363 4.268 . 0 0 "[ . 1 . 2]" 1
981 1 46 VAL HA 1 58 THR MG 3.080 2.080 4.080 3.409 3.176 3.570 . 0 0 "[ . 1 . 2]" 1
982 1 46 VAL HB 1 47 GLY H 3.150 2.150 4.150 4.179 4.137 4.245 0.095 5 0 "[ . 1 . 2]" 1
983 1 46 VAL HB 1 47 GLY QA 4.340 3.340 5.340 5.262 4.538 5.347 0.007 15 0 "[ . 1 . 2]" 1
984 1 46 VAL HB 1 58 THR H 3.870 2.870 4.870 4.707 4.409 4.945 0.075 1 0 "[ . 1 . 2]" 1
985 1 46 VAL HB 1 58 THR HB 2.280 . 3.280 3.256 2.806 3.348 0.068 15 0 "[ . 1 . 2]" 1
986 1 46 VAL QG 1 47 GLY H 3.050 2.050 4.050 2.328 2.162 2.700 . 0 0 "[ . 1 . 2]" 1
987 1 46 VAL QG 1 47 GLY QA 3.180 2.180 4.180 2.993 2.886 3.181 . 0 0 "[ . 1 . 2]" 1
988 1 46 VAL QG 1 49 VAL H 3.700 2.700 4.700 4.186 3.926 4.352 . 0 0 "[ . 1 . 2]" 1
989 1 46 VAL QG 1 49 VAL MG2 3.300 2.300 3.500 2.848 2.583 2.998 . 0 0 "[ . 1 . 2]" 1
990 1 46 VAL QG 1 50 ASN HA 3.140 2.140 4.140 4.139 3.979 4.441 0.301 12 0 "[ . 1 . 2]" 1
991 1 46 VAL QG 1 50 ASN QB 4.100 3.100 5.100 3.467 3.197 3.853 . 0 0 "[ . 1 . 2]" 1
992 1 46 VAL QG 1 50 ASN QD . 2.700 3.230 2.322 2.238 2.413 0.462 4 0 "[ . 1 . 2]" 1
993 1 46 VAL QG 1 54 ARG QB 3.450 2.450 4.450 2.956 2.329 4.438 0.121 10 0 "[ . 1 . 2]" 1
994 1 46 VAL QG 1 57 PRO HA 3.680 2.680 4.680 3.566 3.043 4.414 . 0 0 "[ . 1 . 2]" 1
995 1 46 VAL QG 1 58 THR H 3.290 2.290 3.450 2.948 2.733 3.422 . 0 0 "[ . 1 . 2]" 1
996 1 46 VAL QG 1 58 THR HB 3.260 2.260 3.400 2.143 2.111 2.165 0.149 10 0 "[ . 1 . 2]" 1
997 1 46 VAL QG 1 58 THR MG 2.520 . 3.520 3.005 2.598 3.169 . 0 0 "[ . 1 . 2]" 1
998 1 46 VAL QG 1 59 VAL H 4.440 3.440 5.440 5.292 5.091 5.385 . 0 0 "[ . 1 . 2]" 1
999 1 47 GLY H 1 48 SER H 1.980 . 2.980 2.617 2.517 2.730 . 0 0 "[ . 1 . 2]" 1
1000 1 47 GLY H 1 48 SER HA 4.330 3.330 5.330 5.217 5.138 5.323 . 0 0 "[ . 1 . 2]" 1
1001 1 47 GLY H 1 49 VAL H 3.130 2.130 4.130 4.095 3.925 4.246 0.116 13 0 "[ . 1 . 2]" 1
1002 1 47 GLY H 1 49 VAL MG1 4.500 3.500 5.500 5.516 5.173 5.710 0.210 17 0 "[ . 1 . 2]" 1
1003 1 47 GLY H 1 50 ASN H 4.450 3.450 5.450 5.140 4.864 5.421 . 0 0 "[ . 1 . 2]" 1
1004 1 47 GLY H 1 50 ASN QD 4.080 3.080 5.080 5.236 4.497 5.634 0.554 15 1 "[ . 1 + 2]" 1
1005 1 47 GLY H 1 54 ARG QB 3.510 2.510 4.510 3.825 3.050 5.736 1.226 7 2 "[ . + 1 . -]" 1
1006 1 47 GLY H 1 54 ARG QD 3.960 2.960 4.960 5.081 2.888 6.522 1.562 11 6 "[ * *1+ *.- *2]" 1
1007 1 47 GLY QA 1 49 VAL H 3.360 2.360 4.360 3.954 3.673 4.193 . 0 0 "[ . 1 . 2]" 1
1008 1 47 GLY QA 1 50 ASN H 3.480 2.480 4.480 3.675 3.476 3.922 . 0 0 "[ . 1 . 2]" 1
1009 1 47 GLY QA 1 54 ARG QB 2.910 . 3.910 2.333 1.883 4.014 0.104 7 0 "[ . 1 . 2]" 1
1010 1 47 GLY HA2 1 49 VAL H 4.080 3.080 5.080 4.271 3.930 4.560 . 0 0 "[ . 1 . 2]" 1
1011 1 47 GLY HA3 1 49 VAL H 4.080 3.080 5.080 4.669 4.413 4.892 . 0 0 "[ . 1 . 2]" 1
1012 1 48 SER H 1 48 SER HB2 2.090 . 3.090 2.722 2.421 3.620 0.530 10 2 "[ .- + . 2]" 1
1013 1 48 SER H 1 48 SER HB3 2.090 . 3.090 3.275 2.471 3.611 0.521 9 8 "[* * * +1 * . -**]" 1
1014 1 48 SER H 1 49 VAL H 2.320 . 3.320 2.435 2.328 2.640 . 0 0 "[ . 1 . 2]" 1
1015 1 48 SER H 1 49 VAL MG1 3.590 2.590 4.590 4.026 3.827 4.345 . 0 0 "[ . 1 . 2]" 1
1016 1 48 SER H 1 49 VAL MG2 3.280 2.280 4.280 3.619 3.363 3.861 . 0 0 "[ . 1 . 2]" 1
1017 1 48 SER H 1 50 ASN H 3.610 2.610 4.610 3.910 3.743 4.080 . 0 0 "[ . 1 . 2]" 1
1018 1 48 SER HA 1 49 VAL MG1 3.690 2.690 4.690 4.655 4.456 4.733 0.043 5 0 "[ . 1 . 2]" 1
1019 1 48 SER HB2 1 49 VAL H 3.170 2.170 4.170 3.258 2.702 4.161 . 0 0 "[ . 1 . 2]" 1
1020 1 48 SER HB3 1 49 VAL H 3.170 2.170 4.170 3.825 2.557 4.391 0.221 14 0 "[ . 1 . 2]" 1
1021 1 49 VAL H 1 49 VAL HB 2.960 . 3.960 3.713 3.668 3.782 . 0 0 "[ . 1 . 2]" 1
1022 1 49 VAL H 1 49 VAL MG1 2.150 . 3.150 2.536 2.281 2.781 . 0 0 "[ . 1 . 2]" 1
1023 1 49 VAL H 1 49 VAL MG2 1.890 . 2.890 1.998 1.896 2.116 . 0 0 "[ . 1 . 2]" 1
1024 1 49 VAL H 1 50 ASN H 2.000 . 3.000 2.425 2.221 2.603 . 0 0 "[ . 1 . 2]" 1
1025 1 49 VAL H 1 50 ASN QB 3.970 2.970 4.970 3.792 3.367 4.044 . 0 0 "[ . 1 . 2]" 1
1026 1 49 VAL H 1 50 ASN QD 3.570 2.570 4.570 4.465 4.078 4.694 0.124 13 0 "[ . 1 . 2]" 1
1027 1 49 VAL HA 1 49 VAL MG1 2.110 . 3.110 2.344 2.292 2.397 . 0 0 "[ . 1 . 2]" 1
1028 1 49 VAL HA 1 49 VAL MG2 2.530 . 3.530 3.203 3.192 3.217 . 0 0 "[ . 1 . 2]" 1
1029 1 49 VAL HB 1 50 ASN H 3.270 2.270 4.270 4.352 4.221 4.403 0.133 12 0 "[ . 1 . 2]" 1
1030 1 49 VAL HB 1 66 THR HB 2.900 . 3.900 3.514 3.044 3.899 . 0 0 "[ . 1 . 2]" 1
1031 1 49 VAL MG1 1 50 ASN QD 4.500 3.500 5.500 5.360 5.324 5.377 . 0 0 "[ . 1 . 2]" 1
1032 1 49 VAL MG1 1 58 THR MG 3.140 2.140 4.140 3.752 3.512 3.993 . 0 0 "[ . 1 . 2]" 1
1033 1 49 VAL MG1 1 66 THR HB 4.300 3.300 5.300 3.857 3.297 4.317 0.003 7 0 "[ . 1 . 2]" 1
1034 1 49 VAL MG2 1 50 ASN H 2.750 . 3.750 3.227 2.806 3.344 . 0 0 "[ . 1 . 2]" 1
1035 1 49 VAL MG2 1 50 ASN HA 3.430 2.430 4.430 3.495 3.189 3.653 . 0 0 "[ . 1 . 2]" 1
1036 1 49 VAL MG2 1 50 ASN QD 2.690 2.380 3.690 3.010 2.961 3.104 . 0 0 "[ . 1 . 2]" 1
1037 1 49 VAL MG2 1 58 THR HB 3.780 2.780 4.780 3.292 3.004 3.664 . 0 0 "[ . 1 . 2]" 1
1038 1 49 VAL MG2 1 58 THR MG 2.080 . 3.080 1.840 1.786 1.930 . 0 0 "[ . 1 . 2]" 1
1039 1 49 VAL MG2 1 66 THR HB 3.430 2.430 4.430 3.082 2.662 3.448 . 0 0 "[ . 1 . 2]" 1
1040 1 49 VAL MG2 1 66 THR MG 1.970 . 2.970 2.410 2.138 2.688 . 0 0 "[ . 1 . 2]" 1
1041 1 50 ASN H 1 50 ASN QB 2.950 . 3.490 2.161 2.031 2.234 . 0 0 "[ . 1 . 2]" 1
1042 1 50 ASN H 1 50 ASN QD . 2.550 2.980 3.480 3.183 3.634 0.654 10 9 "[- * .* *+ * ** *]" 1
1043 1 50 ASN H 1 51 GLY H 3.870 2.870 4.870 4.476 4.399 4.607 . 0 0 "[ . 1 . 2]" 1
1044 1 50 ASN H 1 52 GLY H 3.870 2.870 4.870 4.608 4.197 5.220 0.350 19 0 "[ . 1 . 2]" 1
1045 1 50 ASN H 1 58 THR HB 4.500 3.500 5.500 6.633 6.339 7.108 1.608 12 20 [***********+-*******] 1
1046 1 50 ASN H 1 68 THR MG 4.500 3.500 5.500 4.937 4.494 5.374 . 0 0 "[ . 1 . 2]" 1
1047 1 50 ASN HA 1 50 ASN QD 2.970 . 3.620 1.961 1.872 2.474 0.098 15 0 "[ . 1 . 2]" 1
1048 1 50 ASN HA 1 55 THR H 4.500 3.500 5.500 5.391 4.965 5.690 0.190 7 0 "[ . 1 . 2]" 1
1049 1 50 ASN HA 1 56 VAL MG2 3.570 2.570 4.570 3.308 3.029 3.950 . 0 0 "[ . 1 . 2]" 1
1050 1 50 ASN HA 1 58 THR MG 2.980 . 3.980 4.065 3.993 4.119 0.139 10 0 "[ . 1 . 2]" 1
1051 1 50 ASN HA 1 68 THR HA 3.330 2.330 4.330 4.352 4.134 4.420 0.090 16 0 "[ . 1 . 2]" 1
1052 1 50 ASN HA 1 68 THR MG 2.700 . 3.700 2.525 2.179 2.895 . 0 0 "[ . 1 . 2]" 1
1053 1 50 ASN HA 1 69 ASN H 4.500 3.500 5.500 5.378 4.982 5.646 0.146 16 0 "[ . 1 . 2]" 1
1054 1 50 ASN QB 1 50 ASN QD 3.010 2.010 4.010 2.548 2.030 2.642 . 0 0 "[ . 1 . 2]" 1
1055 1 50 ASN QB 1 53 ASN H 3.860 2.860 4.320 3.616 3.018 4.502 0.182 16 0 "[ . 1 . 2]" 1
1056 1 50 ASN QB 1 53 ASN HA 4.280 3.280 5.280 3.849 3.388 4.475 . 0 0 "[ . 1 . 2]" 1
1057 1 50 ASN QB 1 54 ARG HA 3.870 2.980 4.870 2.840 2.487 3.611 0.493 11 0 "[ . 1 . 2]" 1
1058 1 50 ASN QB 1 55 THR H 3.510 2.510 3.960 3.526 3.378 3.873 . 0 0 "[ . 1 . 2]" 1
1059 1 50 ASN QB 1 55 THR MG 3.450 2.450 4.450 3.666 3.338 3.847 . 0 0 "[ . 1 . 2]" 1
1060 1 50 ASN QB 1 56 VAL H 3.860 2.860 4.860 4.021 3.900 4.203 . 0 0 "[ . 1 . 2]" 1
1061 1 50 ASN QB 1 68 THR MG 3.790 2.790 4.790 4.109 3.886 4.350 . 0 0 "[ . 1 . 2]" 1
1062 1 50 ASN QD 1 55 THR H 3.570 3.030 4.570 3.593 3.267 3.803 . 0 0 "[ . 1 . 2]" 1
1063 1 50 ASN QD 1 55 THR MG 4.500 3.500 5.500 4.463 4.174 4.606 . 0 0 "[ . 1 . 2]" 1
1064 1 50 ASN QD 1 56 VAL MG2 3.120 2.640 4.120 2.386 2.223 2.927 0.417 15 0 "[ . 1 . 2]" 1
1065 1 50 ASN QD 1 58 THR HB 3.540 2.540 4.540 3.713 3.565 3.820 . 0 0 "[ . 1 . 2]" 1
1066 1 50 ASN QD 1 58 THR MG 3.060 2.580 4.060 3.370 3.214 3.609 . 0 0 "[ . 1 . 2]" 1
1067 1 50 ASN QD 1 68 THR MG 3.410 2.410 4.270 3.078 2.656 3.880 . 0 0 "[ . 1 . 2]" 1
1068 1 51 GLY H 1 52 GLY H 3.080 2.080 4.080 3.730 3.402 4.002 . 0 0 "[ . 1 . 2]" 1
1069 1 51 GLY H 1 53 ASN H 3.140 2.140 4.140 4.541 3.742 5.601 1.461 8 7 "[ *- + ** .* *]" 1
1070 1 51 GLY QA 1 52 GLY H 2.550 . 3.550 2.342 2.220 2.537 . 0 0 "[ . 1 . 2]" 1
1071 1 51 GLY QA 1 53 ASN H 3.210 2.210 4.210 4.403 3.604 5.291 1.081 8 5 "[ *. + * .* -]" 1
1072 1 52 GLY H 1 53 ASN H 2.360 . 3.360 3.734 3.167 4.267 0.907 16 7 "[ * -* ** .+ *]" 1
1073 1 53 ASN H 1 53 ASN HB2 2.890 . 3.890 3.105 2.447 3.932 0.042 2 0 "[ . 1 . 2]" 1
1074 1 53 ASN H 1 53 ASN QB 2.370 . 3.370 2.684 2.282 3.163 . 0 0 "[ . 1 . 2]" 1
1075 1 53 ASN H 1 53 ASN HB3 2.890 . 3.890 3.171 2.464 3.853 . 0 0 "[ . 1 . 2]" 1
1076 1 53 ASN H 1 53 ASN HD21 3.590 2.590 4.590 4.404 2.684 5.219 0.629 19 4 "[ . 1 * * -+2]" 1
1077 1 53 ASN H 1 53 ASN HD22 4.260 3.260 5.260 5.213 3.558 6.219 0.959 19 9 "[ * .* *- *** *+2]" 1
1078 1 53 ASN H 1 54 ARG H 3.440 2.440 4.440 4.376 4.294 4.540 0.100 11 0 "[ . 1 . 2]" 1
1079 1 53 ASN H 1 55 THR H 4.500 3.500 5.500 5.014 3.826 5.684 0.184 8 0 "[ . 1 . 2]" 1
1080 1 53 ASN H 1 68 THR MG 4.500 3.500 5.500 6.642 5.860 7.570 2.070 16 19 "[***************+-* *]" 1
1081 1 53 ASN HA 1 53 ASN HD21 3.380 2.380 4.380 3.856 2.263 4.443 0.117 5 0 "[ . 1 . 2]" 1
1082 1 53 ASN HA 1 53 ASN HD22 4.280 3.280 5.280 4.553 3.825 5.324 0.044 9 0 "[ . 1 . 2]" 1
1083 1 53 ASN HA 1 54 ARG H 2.430 . 3.430 2.475 2.246 2.733 . 0 0 "[ . 1 . 2]" 1
1084 1 53 ASN HA 1 54 ARG HA 3.930 2.930 4.930 4.298 4.129 4.384 . 0 0 "[ . 1 . 2]" 1
1085 1 53 ASN HA 1 54 ARG QD 4.500 3.500 5.500 4.193 3.465 5.545 0.045 4 0 "[ . 1 . 2]" 1
1086 1 53 ASN QB 1 54 ARG H 2.950 . 3.950 2.726 1.927 3.506 0.023 7 0 "[ . 1 . 2]" 1
1087 1 53 ASN QB 1 54 ARG QD 3.330 2.330 4.330 3.840 2.558 4.402 0.072 4 0 "[ . 1 . 2]" 1
1088 1 53 ASN QB 1 55 THR H 3.910 2.910 4.910 4.981 4.146 5.489 0.579 9 4 "[* . *+1 - 2]" 1
1089 1 54 ARG H 1 54 ARG HB2 3.150 2.150 4.150 3.552 2.116 3.795 0.034 7 0 "[ . 1 . 2]" 1
1090 1 54 ARG H 1 54 ARG QB 2.590 . 3.590 2.585 2.098 2.839 . 0 0 "[ . 1 . 2]" 1
1091 1 54 ARG H 1 54 ARG HB3 3.150 2.150 4.150 2.771 2.523 3.663 . 0 0 "[ . 1 . 2]" 1
1092 1 54 ARG H 1 54 ARG QD 4.500 3.500 5.500 2.248 1.694 3.627 1.806 18 16 "[ * **- *********+**]" 1
1093 1 54 ARG H 1 54 ARG QG 2.720 . 3.720 3.034 1.799 3.696 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ARG H 1 55 THR H 3.380 2.380 4.380 4.278 3.633 4.430 0.050 15 0 "[ . 1 . 2]" 1
1095 1 54 ARG HA 1 55 THR H 2.330 . 3.330 2.078 1.937 2.669 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ARG QB 1 54 ARG QD 2.200 . 3.200 2.495 2.253 2.898 . 0 0 "[ . 1 . 2]" 1
1097 1 54 ARG QB 1 56 VAL H 4.340 3.340 5.340 4.669 3.819 5.123 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ARG HB2 1 54 ARG QD 2.910 . 3.910 3.254 2.718 3.581 . 0 0 "[ . 1 . 2]" 1
1099 1 54 ARG HB2 1 55 THR H 3.590 2.590 4.590 3.725 3.266 4.468 . 0 0 "[ . 1 . 2]" 1
1100 1 54 ARG HB3 1 54 ARG QD 2.910 . 3.910 2.660 2.341 3.488 . 0 0 "[ . 1 . 2]" 1
1101 1 54 ARG HB3 1 55 THR H 3.590 2.590 4.590 4.272 3.484 4.643 0.053 4 0 "[ . 1 . 2]" 1
1102 1 54 ARG QG 1 55 THR HA 3.850 2.850 4.850 4.267 3.858 5.039 0.189 20 0 "[ . 1 . 2]" 1
1103 1 55 THR H 1 55 THR HB 2.440 . 3.440 3.360 2.744 3.546 0.106 20 0 "[ . 1 . 2]" 1
1104 1 55 THR H 1 55 THR MG 2.990 . 3.990 2.425 1.995 2.649 . 0 0 "[ . 1 . 2]" 1
1105 1 55 THR H 1 56 VAL H 3.430 2.430 4.430 1.782 1.642 2.400 0.788 3 19 "[-*+ ****************]" 1
1106 1 55 THR H 1 56 VAL MG1 4.050 3.050 5.050 4.256 4.085 4.474 . 0 0 "[ . 1 . 2]" 1
1107 1 55 THR HA 1 55 THR MG 2.240 . 3.240 3.233 3.205 3.245 0.005 18 0 "[ . 1 . 2]" 1
1108 1 55 THR HB 1 56 VAL H 3.700 2.700 4.700 4.227 4.147 4.393 . 0 0 "[ . 1 . 2]" 1
1109 1 55 THR MG 1 56 VAL H 2.240 . 3.240 2.527 2.319 2.812 . 0 0 "[ . 1 . 2]" 1
1110 1 55 THR MG 1 56 VAL HA 3.500 2.500 4.500 3.785 3.668 3.936 . 0 0 "[ . 1 . 2]" 1
1111 1 55 THR MG 1 56 VAL MG1 2.030 . 3.030 2.027 1.900 2.208 . 0 0 "[ . 1 . 2]" 1
1112 1 56 VAL H 1 56 VAL MG1 2.650 . 3.650 3.076 2.905 3.282 . 0 0 "[ . 1 . 2]" 1
1113 1 56 VAL H 1 56 VAL MG2 2.120 . 3.120 2.105 2.001 2.256 . 0 0 "[ . 1 . 2]" 1
1114 1 56 VAL HA 1 56 VAL MG1 2.200 . 3.200 2.278 2.227 2.317 . 0 0 "[ . 1 . 2]" 1
1115 1 56 VAL HA 1 56 VAL MG2 2.810 . 3.810 3.203 3.185 3.226 . 0 0 "[ . 1 . 2]" 1
1116 1 56 VAL HA 1 57 PRO HA 3.440 2.440 4.440 4.392 4.365 4.438 . 0 0 "[ . 1 . 2]" 1
1117 1 56 VAL HB 1 57 PRO QB 4.460 3.460 5.460 4.741 4.534 4.914 . 0 0 "[ . 1 . 2]" 1
1118 1 56 VAL HB 1 58 THR HA 4.500 3.500 5.500 5.562 5.525 5.612 0.112 15 0 "[ . 1 . 2]" 1
1119 1 56 VAL HB 1 69 ASN HA 3.850 2.850 4.850 4.541 4.103 4.701 . 0 0 "[ . 1 . 2]" 1
1120 1 56 VAL HB 1 69 ASN QB 3.420 2.420 4.420 2.357 2.269 2.410 0.151 1 0 "[ . 1 . 2]" 1
1121 1 56 VAL MG1 1 69 ASN QB 2.890 . 3.890 3.316 2.871 3.646 . 0 0 "[ . 1 . 2]" 1
1122 1 56 VAL MG2 1 57 PRO HA 3.960 2.960 4.960 4.798 4.674 4.921 . 0 0 "[ . 1 . 2]" 1
1123 1 56 VAL MG2 1 57 PRO QD 3.960 2.960 4.960 3.650 3.540 3.753 . 0 0 "[ . 1 . 2]" 1
1124 1 57 PRO HA 1 58 THR H 2.060 . 3.060 2.169 2.081 2.264 . 0 0 "[ . 1 . 2]" 1
1125 1 57 PRO QB 1 58 THR H 3.280 2.280 4.280 3.116 2.765 3.388 . 0 0 "[ . 1 . 2]" 1
1126 1 57 PRO QB 1 58 THR HA 3.760 2.760 4.760 4.080 3.907 4.311 . 0 0 "[ . 1 . 2]" 1
1127 1 57 PRO QD 1 69 ASN HA 4.500 3.500 5.500 4.512 3.956 5.009 . 0 0 "[ . 1 . 2]" 1
1128 1 57 PRO QD 1 69 ASN QB 3.190 2.190 4.190 2.633 2.108 3.681 0.082 13 0 "[ . 1 . 2]" 1
1129 1 57 PRO HG2 1 69 ASN H 3.490 2.490 4.490 4.169 3.707 4.788 0.298 15 0 "[ . 1 . 2]" 1
1130 1 57 PRO HG2 1 69 ASN HA 2.620 . 3.620 3.140 2.551 3.524 . 0 0 "[ . 1 . 2]" 1
1131 1 58 THR H 1 58 THR HB 2.650 . 3.650 2.723 2.554 2.875 . 0 0 "[ . 1 . 2]" 1
1132 1 58 THR H 1 58 THR MG 3.220 2.220 4.220 3.888 3.783 3.947 . 0 0 "[ . 1 . 2]" 1
1133 1 58 THR H 1 59 VAL H 3.700 2.700 4.700 4.331 4.233 4.392 . 0 0 "[ . 1 . 2]" 1
1134 1 58 THR HA 1 58 THR MG 2.250 . 3.250 2.362 2.312 2.395 . 0 0 "[ . 1 . 2]" 1
1135 1 58 THR HA 1 59 VAL H 1.850 . 2.850 2.243 2.054 2.367 . 0 0 "[ . 1 . 2]" 1
1136 1 58 THR HA 1 59 VAL QG 4.050 3.050 4.440 3.354 3.252 3.574 . 0 0 "[ . 1 . 2]" 1
1137 1 58 THR HA 1 66 THR MG 4.290 3.290 5.290 5.075 4.791 5.198 . 0 0 "[ . 1 . 2]" 1
1138 1 58 THR HA 1 67 LEU H 3.550 2.550 4.550 4.635 4.431 5.040 0.490 15 0 "[ . 1 . 2]" 1
1139 1 58 THR HA 1 68 THR H 4.460 3.460 5.460 5.174 4.949 5.555 0.095 15 0 "[ . 1 . 2]" 1
1140 1 58 THR HA 1 68 THR HA 2.890 . 3.890 2.887 2.615 3.232 . 0 0 "[ . 1 . 2]" 1
1141 1 58 THR HA 1 68 THR MG 3.360 2.360 4.360 4.212 3.961 4.390 0.030 16 0 "[ . 1 . 2]" 1
1142 1 58 THR HA 1 69 ASN H 2.630 . 3.630 3.092 2.742 3.614 . 0 0 "[ . 1 . 2]" 1
1143 1 58 THR HA 1 70 PRO QD 4.430 3.430 4.670 3.558 3.206 3.877 0.224 15 0 "[ . 1 . 2]" 1
1144 1 58 THR HB 1 59 VAL H 3.650 2.650 4.650 3.899 3.674 4.031 . 0 0 "[ . 1 . 2]" 1
1145 1 58 THR HB 1 66 THR MG 2.970 . 3.970 3.998 3.862 4.046 0.076 11 0 "[ . 1 . 2]" 1
1146 1 58 THR MG 1 59 VAL H 2.200 . 3.200 2.425 2.081 2.610 . 0 0 "[ . 1 . 2]" 1
1147 1 58 THR MG 1 59 VAL HA 3.340 2.340 4.340 3.954 3.864 4.051 . 0 0 "[ . 1 . 2]" 1
1148 1 58 THR MG 1 59 VAL QG 2.820 . 3.820 3.491 3.378 3.649 . 0 0 "[ . 1 . 2]" 1
1149 1 58 THR MG 1 66 THR H 4.500 3.500 5.500 5.123 4.952 5.249 . 0 0 "[ . 1 . 2]" 1
1150 1 58 THR MG 1 66 THR HA 3.470 2.470 4.470 3.589 3.395 3.768 . 0 0 "[ . 1 . 2]" 1
1151 1 58 THR MG 1 66 THR HB 2.490 . 3.490 2.264 2.002 2.601 . 0 0 "[ . 1 . 2]" 1
1152 1 58 THR MG 1 66 THR MG 1.960 . 2.960 2.398 2.266 2.525 . 0 0 "[ . 1 . 2]" 1
1153 1 58 THR MG 1 67 LEU H 2.740 . 3.740 3.051 2.877 3.217 . 0 0 "[ . 1 . 2]" 1
1154 1 58 THR MG 1 68 THR HA 2.950 . 3.950 2.382 2.009 2.886 . 0 0 "[ . 1 . 2]" 1
1155 1 58 THR MG 1 69 ASN H 3.120 2.120 4.120 4.006 3.511 4.435 0.315 4 0 "[ . 1 . 2]" 1
1156 1 58 THR MG 1 70 PRO QD 3.960 2.960 4.960 4.544 4.183 4.827 . 0 0 "[ . 1 . 2]" 1
1157 1 59 VAL H 1 59 VAL HB 2.780 . 3.780 3.495 2.838 3.751 . 0 0 "[ . 1 . 2]" 1
1158 1 59 VAL H 1 59 VAL QG 2.930 . 3.300 1.992 1.911 2.128 0.019 2 0 "[ . 1 . 2]" 1
1159 1 59 VAL H 1 60 LYS HB2 4.500 3.500 5.500 5.708 5.314 6.227 0.727 5 1 "[ + 1 . 2]" 1
1160 1 59 VAL H 1 66 THR HA 4.090 3.090 5.090 4.366 4.076 4.541 . 0 0 "[ . 1 . 2]" 1
1161 1 59 VAL H 1 66 THR HB 4.130 3.130 5.130 4.272 3.744 4.769 . 0 0 "[ . 1 . 2]" 1
1162 1 59 VAL H 1 66 THR MG 3.860 2.860 4.860 4.080 3.662 4.399 . 0 0 "[ . 1 . 2]" 1
1163 1 59 VAL H 1 67 LEU H 2.550 . 3.550 2.953 2.766 3.155 . 0 0 "[ . 1 . 2]" 1
1164 1 59 VAL H 1 67 LEU HA 4.140 3.140 5.140 5.062 4.933 5.254 0.114 4 0 "[ . 1 . 2]" 1
1165 1 59 VAL H 1 67 LEU QB 3.400 2.400 4.400 3.961 3.755 4.102 . 0 0 "[ . 1 . 2]" 1
1166 1 59 VAL H 1 68 THR HA 3.420 2.420 4.420 4.039 3.862 4.258 . 0 0 "[ . 1 . 2]" 1
1167 1 59 VAL H 1 68 THR MG 4.500 3.500 5.500 5.602 5.455 5.769 0.269 2 0 "[ . 1 . 2]" 1
1168 1 59 VAL H 1 69 ASN H 3.120 2.120 4.120 4.730 4.487 5.057 0.937 13 14 "[ **** ****+-. ****]" 1
1169 1 59 VAL H 1 70 PRO QD 3.830 2.830 4.250 3.555 3.278 4.063 . 0 0 "[ . 1 . 2]" 1
1170 1 59 VAL H 1 75 VAL MG1 4.500 3.500 5.500 5.038 4.817 5.256 . 0 0 "[ . 1 . 2]" 1
1171 1 59 VAL HA 1 59 VAL QG 2.340 . 3.340 2.281 2.216 2.326 . 0 0 "[ . 1 . 2]" 1
1172 1 59 VAL HA 1 60 LYS H 1.920 . 2.920 2.111 2.051 2.182 . 0 0 "[ . 1 . 2]" 1
1173 1 59 VAL HA 1 60 LYS HA 3.520 2.520 4.520 4.374 4.353 4.432 . 0 0 "[ . 1 . 2]" 1
1174 1 59 VAL HA 1 60 LYS HB2 4.500 3.500 5.500 4.431 4.054 4.586 . 0 0 "[ . 1 . 2]" 1
1175 1 59 VAL HA 1 60 LYS HB3 4.400 3.400 5.400 4.729 4.533 5.733 0.333 5 0 "[ . 1 . 2]" 1
1176 1 59 VAL HB 1 60 LYS H 3.270 2.270 4.270 3.487 3.071 4.247 . 0 0 "[ . 1 . 2]" 1
1177 1 59 VAL QG 1 60 LYS H 3.140 2.140 3.590 3.221 2.462 3.524 . 0 0 "[ . 1 . 2]" 1
1178 1 59 VAL QG 1 61 PHE H 3.780 2.780 4.780 4.065 3.674 4.556 . 0 0 "[ . 1 . 2]" 1
1179 1 59 VAL QG 1 61 PHE QD 3.310 2.310 4.310 3.296 3.007 3.651 . 0 0 "[ . 1 . 2]" 1
1180 1 59 VAL QG 1 61 PHE QE 2.850 . 3.850 2.340 2.002 3.139 . 0 0 "[ . 1 . 2]" 1
1181 1 59 VAL QG 1 61 PHE HZ 2.900 . 3.900 2.871 2.474 3.502 . 0 0 "[ . 1 . 2]" 1
1182 1 59 VAL QG 1 66 THR HA 3.840 2.840 4.840 3.488 3.261 3.711 . 0 0 "[ . 1 . 2]" 1
1183 1 59 VAL QG 1 66 THR MG 3.930 2.930 4.930 4.056 3.911 4.363 . 0 0 "[ . 1 . 2]" 1
1184 1 59 VAL QG 1 67 LEU H 4.240 3.240 4.270 2.452 2.289 2.662 0.951 11 20 [********-*+*********] 1
1185 1 59 VAL QG 1 67 LEU HA 3.860 2.860 4.860 4.240 4.151 4.355 . 0 0 "[ . 1 . 2]" 1
1186 1 59 VAL QG 1 67 LEU QB 3.410 2.410 4.410 2.362 2.308 2.410 0.102 2 0 "[ . 1 . 2]" 1
1187 1 59 VAL QG 1 67 LEU QD 2.840 . 3.840 3.197 2.840 3.337 . 0 0 "[ . 1 . 2]" 1
1188 1 59 VAL QG 1 67 LEU HG 3.770 2.770 4.770 3.581 2.971 3.860 . 0 0 "[ . 1 . 2]" 1
1189 1 59 VAL QG 1 70 PRO QD 3.390 2.390 4.390 2.515 2.361 2.730 0.029 6 0 "[ . 1 . 2]" 1
1190 1 59 VAL QG 1 70 PRO QG 2.840 . 3.840 2.052 1.897 2.184 0.023 15 0 "[ . 1 . 2]" 1
1191 1 59 VAL QG 1 75 VAL MG1 2.550 . 2.920 1.978 1.786 2.092 . 0 0 "[ . 1 . 2]" 1
1192 1 59 VAL QG 1 78 LYS QB 4.280 3.280 5.280 4.946 4.681 5.309 0.029 5 0 "[ . 1 . 2]" 1
1193 1 59 VAL QG 1 78 LYS QD 4.220 3.220 5.220 4.454 4.136 5.026 . 0 0 "[ . 1 . 2]" 1
1194 1 60 LYS H 1 60 LYS HB2 2.650 . 3.650 2.794 2.380 2.922 . 0 0 "[ . 1 . 2]" 1
1195 1 60 LYS H 1 60 LYS HB3 2.690 . 3.690 2.687 2.552 3.632 . 0 0 "[ . 1 . 2]" 1
1196 1 60 LYS H 1 60 LYS QD 4.500 3.500 5.500 4.866 4.528 5.012 . 0 0 "[ . 1 . 2]" 1
1197 1 60 LYS H 1 60 LYS QG 3.700 2.700 4.700 4.026 3.200 4.124 . 0 0 "[ . 1 . 2]" 1
1198 1 60 LYS H 1 61 PHE H 3.300 2.300 4.300 4.242 4.133 4.389 0.089 5 0 "[ . 1 . 2]" 1
1199 1 60 LYS H 1 61 PHE HA 3.920 2.920 4.920 4.741 4.586 4.969 0.049 5 0 "[ . 1 . 2]" 1
1200 1 60 LYS H 1 66 THR MG 3.620 2.620 4.620 3.762 3.530 3.990 . 0 0 "[ . 1 . 2]" 1
1201 1 60 LYS HA 1 60 LYS QG 3.160 2.160 4.160 2.411 2.310 2.468 . 0 0 "[ . 1 . 2]" 1
1202 1 60 LYS HA 1 61 PHE H 1.980 . 2.980 2.128 2.096 2.157 . 0 0 "[ . 1 . 2]" 1
1203 1 60 LYS HA 1 61 PHE QD 3.070 2.070 4.070 3.532 3.305 3.708 . 0 0 "[ . 1 . 2]" 1
1204 1 60 LYS HA 1 66 THR H 4.250 3.250 5.250 4.668 4.535 5.067 . 0 0 "[ . 1 . 2]" 1
1205 1 60 LYS HA 1 66 THR HA 2.700 . 3.700 2.459 2.322 2.768 . 0 0 "[ . 1 . 2]" 1
1206 1 60 LYS HA 1 66 THR MG 2.680 . 3.680 2.297 2.128 2.524 . 0 0 "[ . 1 . 2]" 1
1207 1 60 LYS HA 1 67 LEU H 3.400 2.400 4.400 4.088 3.955 4.265 . 0 0 "[ . 1 . 2]" 1
1208 1 60 LYS HB2 1 60 LYS QD 2.920 . 3.920 2.618 2.310 3.519 . 0 0 "[ . 1 . 2]" 1
1209 1 60 LYS HB2 1 60 LYS QE 2.790 . 3.790 3.185 2.299 3.864 0.074 11 0 "[ . 1 . 2]" 1
1210 1 60 LYS HB2 1 61 PHE H 3.760 2.760 4.760 4.374 4.152 4.508 . 0 0 "[ . 1 . 2]" 1
1211 1 60 LYS HB2 1 66 THR MG 3.550 2.550 4.550 2.593 2.486 3.864 0.064 9 0 "[ . 1 . 2]" 1
1212 1 60 LYS HB3 1 60 LYS QD 1.820 . 2.820 2.799 2.440 2.908 0.088 10 0 "[ . 1 . 2]" 1
1213 1 60 LYS HB3 1 60 LYS QE 2.530 . 3.530 2.158 1.970 3.250 . 0 0 "[ . 1 . 2]" 1
1214 1 60 LYS HB3 1 61 PHE H 3.590 2.590 4.590 4.085 3.083 4.215 . 0 0 "[ . 1 . 2]" 1
1215 1 60 LYS QE 1 60 LYS QG 2.720 . 3.720 2.423 2.254 2.781 . 0 0 "[ . 1 . 2]" 1
1216 1 60 LYS QE 1 64 GLY H 3.710 2.710 4.710 4.992 4.330 5.321 0.611 5 4 "[ -+ 1 . **2]" 1
1217 1 60 LYS QE 1 64 GLY HA2 3.130 2.130 4.130 4.033 3.269 4.186 0.056 14 0 "[ . 1 . 2]" 1
1218 1 60 LYS QG 1 61 PHE H 3.100 2.100 3.700 3.068 2.709 3.806 0.106 12 0 "[ . 1 . 2]" 1
1219 1 60 LYS QG 1 64 GLY H . 3.420 4.030 3.864 3.212 5.290 1.260 5 3 "[ + - 1 * . 2]" 1
1220 1 60 LYS QG 1 64 GLY HA2 3.760 2.760 4.760 3.083 2.396 4.177 0.364 13 0 "[ . 1 . 2]" 1
1221 1 60 LYS QG 1 65 SER H 4.110 3.110 5.110 4.332 3.712 5.603 0.493 12 0 "[ . 1 . 2]" 1
1222 1 60 LYS QG 1 66 THR HA 4.120 3.120 5.120 3.901 3.586 4.070 . 0 0 "[ . 1 . 2]" 1
1223 1 60 LYS QG 1 66 THR MG 2.140 . 3.140 2.246 1.875 2.519 . 0 0 "[ . 1 . 2]" 1
1224 1 61 PHE H 1 61 PHE HB2 2.980 . 3.980 2.430 2.313 2.487 . 0 0 "[ . 1 . 2]" 1
1225 1 61 PHE H 1 61 PHE HB3 2.670 . 3.670 3.615 3.563 3.635 . 0 0 "[ . 1 . 2]" 1
1226 1 61 PHE H 1 61 PHE QD 2.230 . 3.230 2.241 2.104 2.419 . 0 0 "[ . 1 . 2]" 1
1227 1 61 PHE H 1 61 PHE QE 3.680 2.680 4.680 4.337 4.205 4.540 . 0 0 "[ . 1 . 2]" 1
1228 1 61 PHE H 1 62 ALA H 3.760 2.760 4.760 4.538 4.461 4.593 . 0 0 "[ . 1 . 2]" 1
1229 1 61 PHE H 1 63 ASP H 3.920 2.920 4.920 4.468 4.214 4.677 . 0 0 "[ . 1 . 2]" 1
1230 1 61 PHE H 1 64 GLY H 3.880 2.880 4.880 3.835 3.406 4.088 . 0 0 "[ . 1 . 2]" 1
1231 1 61 PHE H 1 65 SER H 3.700 2.700 4.700 3.705 3.173 4.264 . 0 0 "[ . 1 . 2]" 1
1232 1 61 PHE H 1 65 SER QB 3.740 2.740 4.740 4.366 3.842 4.773 0.033 17 0 "[ . 1 . 2]" 1
1233 1 61 PHE H 1 66 THR HA 3.000 . 4.000 3.401 3.098 3.700 . 0 0 "[ . 1 . 2]" 1
1234 1 61 PHE H 1 66 THR MG 3.500 2.500 4.500 3.865 3.654 4.131 . 0 0 "[ . 1 . 2]" 1
1235 1 61 PHE H 1 82 ILE MD 4.070 3.070 5.070 4.813 4.636 4.986 . 0 0 "[ . 1 . 2]" 1
1236 1 61 PHE HA 1 61 PHE QD 2.740 . 3.740 3.023 2.923 3.095 . 0 0 "[ . 1 . 2]" 1
1237 1 61 PHE HA 1 62 ALA H 2.200 . 3.200 2.405 2.304 2.552 . 0 0 "[ . 1 . 2]" 1
1238 1 61 PHE HA 1 62 ALA HA 4.290 3.290 5.290 4.311 4.225 4.445 . 0 0 "[ . 1 . 2]" 1
1239 1 61 PHE HA 1 62 ALA MB 3.770 2.770 4.770 4.129 4.037 4.270 . 0 0 "[ . 1 . 2]" 1
1240 1 61 PHE HA 1 82 ILE MD 3.730 2.730 4.730 3.928 3.676 4.114 . 0 0 "[ . 1 . 2]" 1
1241 1 61 PHE HB2 1 62 ALA H 2.700 . 3.700 3.522 3.305 3.727 0.027 14 0 "[ . 1 . 2]" 1
1242 1 61 PHE HB2 1 62 ALA MB 4.500 3.500 5.500 4.808 4.616 4.986 . 0 0 "[ . 1 . 2]" 1
1243 1 61 PHE HB2 1 63 ASP H 2.870 . 3.870 2.781 2.441 3.061 . 0 0 "[ . 1 . 2]" 1
1244 1 61 PHE HB2 1 64 GLY H 4.050 3.050 5.050 3.335 2.908 3.726 0.142 12 0 "[ . 1 . 2]" 1
1245 1 61 PHE HB2 1 65 SER H 4.000 3.000 5.000 3.228 2.707 3.673 0.293 11 0 "[ . 1 . 2]" 1
1246 1 61 PHE HB2 1 65 SER QB 3.410 2.410 4.410 3.811 3.018 4.442 0.032 14 0 "[ . 1 . 2]" 1
1247 1 61 PHE HB2 1 82 ILE MD 2.550 . 3.550 2.898 2.672 3.234 . 0 0 "[ . 1 . 2]" 1
1248 1 61 PHE HB2 1 82 ILE QG 4.340 3.340 5.340 4.783 4.611 4.966 . 0 0 "[ . 1 . 2]" 1
1249 1 61 PHE HB3 1 62 ALA H 2.690 . 3.690 2.275 2.033 2.507 . 0 0 "[ . 1 . 2]" 1
1250 1 61 PHE HB3 1 62 ALA MB 3.260 2.260 4.260 3.761 3.576 3.974 . 0 0 "[ . 1 . 2]" 1
1251 1 61 PHE HB3 1 63 ASP H 2.660 . 3.660 2.545 2.057 2.854 . 0 0 "[ . 1 . 2]" 1
1252 1 61 PHE HB3 1 82 ILE MD 2.820 . 3.820 2.026 1.919 2.172 . 0 0 "[ . 1 . 2]" 1
1253 1 61 PHE HB3 1 82 ILE QG 2.760 . 3.760 4.058 3.831 4.258 0.498 6 0 "[ . 1 . 2]" 1
1254 1 61 PHE HB3 1 82 ILE MG 3.610 2.610 4.610 3.653 3.095 4.229 . 0 0 "[ . 1 . 2]" 1
1255 1 61 PHE QD 1 62 ALA H 3.010 2.010 4.010 3.592 3.331 3.834 . 0 0 "[ . 1 . 2]" 1
1256 1 61 PHE QD 1 63 ASP H 3.860 2.860 4.860 4.443 4.058 4.617 . 0 0 "[ . 1 . 2]" 1
1257 1 61 PHE QD 1 65 SER H 3.720 2.720 4.720 4.224 3.703 4.818 0.098 2 0 "[ . 1 . 2]" 1
1258 1 61 PHE QD 1 66 THR H 3.790 2.790 4.790 4.793 4.351 5.225 0.435 4 0 "[ . 1 . 2]" 1
1259 1 61 PHE QD 1 66 THR HA 2.850 . 3.850 3.315 2.842 3.772 . 0 0 "[ . 1 . 2]" 1
1260 1 61 PHE QD 1 67 LEU H 3.880 2.880 4.880 4.108 3.771 4.600 . 0 0 "[ . 1 . 2]" 1
1261 1 61 PHE QD 1 67 LEU QD 3.490 2.490 4.490 4.084 3.905 4.300 . 0 0 "[ . 1 . 2]" 1
1262 1 61 PHE QD 1 67 LEU HG 3.480 2.480 4.480 3.739 3.446 4.149 . 0 0 "[ . 1 . 2]" 1
1263 1 61 PHE QD 1 75 VAL MG1 4.030 3.030 5.030 4.589 4.437 4.753 . 0 0 "[ . 1 . 2]" 1
1264 1 61 PHE QD 1 78 LYS QB 3.370 2.370 4.370 3.643 3.294 4.006 . 0 0 "[ . 1 . 2]" 1
1265 1 61 PHE QD 1 78 LYS HD2 3.990 2.990 4.990 4.395 3.386 5.021 0.031 9 0 "[ . 1 . 2]" 1
1266 1 61 PHE QD 1 78 LYS QD 3.140 2.140 4.140 3.279 2.830 3.952 . 0 0 "[ . 1 . 2]" 1
1267 1 61 PHE QD 1 78 LYS HD3 3.990 2.990 4.990 3.401 2.916 4.134 0.074 8 0 "[ . 1 . 2]" 1
1268 1 61 PHE QD 1 78 LYS QE 3.680 2.680 4.680 3.434 2.651 4.499 0.029 9 0 "[ . 1 . 2]" 1
1269 1 61 PHE QD 1 78 LYS QG 4.320 3.320 5.320 4.655 3.656 5.201 . 0 0 "[ . 1 . 2]" 1
1270 1 61 PHE QD 1 79 LEU H 3.480 2.480 4.480 4.278 3.892 4.559 0.079 15 0 "[ . 1 . 2]" 1
1271 1 61 PHE QD 1 79 LEU HA 3.700 2.700 4.700 3.251 2.776 3.636 . 0 0 "[ . 1 . 2]" 1
1272 1 61 PHE QD 1 79 LEU HB2 3.150 2.150 4.150 3.249 2.703 3.519 . 0 0 "[ . 1 . 2]" 1
1273 1 61 PHE QD 1 79 LEU HB3 4.500 3.500 5.500 4.880 4.341 5.118 . 0 0 "[ . 1 . 2]" 1
1274 1 61 PHE QD 1 79 LEU QD 3.100 2.100 4.100 2.836 2.211 3.102 . 0 0 "[ . 1 . 2]" 1
1275 1 61 PHE QD 1 79 LEU HG 4.500 3.500 5.500 5.356 4.646 5.555 0.055 17 0 "[ . 1 . 2]" 1
1276 1 61 PHE QD 1 82 ILE H 4.490 3.490 5.490 6.045 5.705 6.321 0.831 15 15 "[* * ********* + *- *]" 1
1277 1 61 PHE QD 1 82 ILE MD 2.730 . 3.730 2.405 1.952 2.651 . 0 0 "[ . 1 . 2]" 1
1278 1 61 PHE QD 1 82 ILE QG 3.420 2.420 4.420 4.377 3.857 4.476 0.056 7 0 "[ . 1 . 2]" 1
1279 1 61 PHE QD 1 82 ILE MG 3.970 2.970 4.970 4.431 3.916 4.935 . 0 0 "[ . 1 . 2]" 1
1280 1 61 PHE QE 1 66 THR H 4.500 3.500 5.500 5.766 5.153 6.442 0.942 2 6 "[ + *. **1 .*- 2]" 1
1281 1 61 PHE QE 1 67 LEU H 3.610 2.610 4.610 3.446 2.860 3.888 . 0 0 "[ . 1 . 2]" 1
1282 1 61 PHE QE 1 67 LEU QB 2.650 . 3.650 2.794 2.235 3.331 . 0 0 "[ . 1 . 2]" 1
1283 1 61 PHE QE 1 67 LEU QD . 2.680 3.270 2.595 2.562 2.622 0.118 14 0 "[ . 1 . 2]" 1
1284 1 61 PHE QE 1 67 LEU HG 2.450 . 3.450 2.302 1.959 2.656 . 0 0 "[ . 1 . 2]" 1
1285 1 61 PHE QE 1 70 PRO QG 3.070 2.070 4.070 4.003 3.732 4.643 0.573 5 1 "[ + 1 . 2]" 1
1286 1 61 PHE QE 1 75 VAL HA 2.840 . 3.840 3.196 2.748 3.695 . 0 0 "[ . 1 . 2]" 1
1287 1 61 PHE QE 1 75 VAL MG1 2.450 . 3.450 2.950 2.587 3.143 . 0 0 "[ . 1 . 2]" 1
1288 1 61 PHE QE 1 78 LYS H 4.030 3.030 5.030 4.375 4.100 4.777 . 0 0 "[ . 1 . 2]" 1
1289 1 61 PHE QE 1 78 LYS QB 3.590 2.590 4.590 2.998 2.815 3.284 . 0 0 "[ . 1 . 2]" 1
1290 1 61 PHE QE 1 78 LYS QD 3.440 2.440 4.440 2.835 2.436 3.169 0.004 10 0 "[ . 1 . 2]" 1
1291 1 61 PHE QE 1 78 LYS QG 3.860 2.860 4.860 4.319 3.902 4.697 . 0 0 "[ . 1 . 2]" 1
1292 1 61 PHE QE 1 79 LEU H 3.390 2.390 4.390 3.162 2.895 3.664 . 0 0 "[ . 1 . 2]" 1
1293 1 61 PHE QE 1 79 LEU HB3 3.140 2.140 4.140 3.917 3.544 4.569 0.429 15 0 "[ . 1 . 2]" 1
1294 1 61 PHE QE 1 79 LEU QD 3.960 2.960 4.960 3.320 2.950 3.679 0.010 4 0 "[ . 1 . 2]" 1
1295 1 61 PHE QE 1 82 ILE MD 4.120 3.120 5.120 3.830 3.468 4.175 . 0 0 "[ . 1 . 2]" 1
1296 1 61 PHE HZ 1 67 LEU QD 2.500 . 3.500 2.709 2.117 3.259 . 0 0 "[ . 1 . 2]" 1
1297 1 61 PHE HZ 1 67 LEU HG 3.540 2.540 4.540 4.143 3.594 4.553 0.013 7 0 "[ . 1 . 2]" 1
1298 1 61 PHE HZ 1 75 VAL H 3.880 2.880 4.880 4.740 4.382 5.000 0.120 6 0 "[ . 1 . 2]" 1
1299 1 61 PHE HZ 1 75 VAL HA 2.460 . 3.460 2.270 1.969 2.592 . 0 0 "[ . 1 . 2]" 1
1300 1 61 PHE HZ 1 75 VAL MG1 2.500 . 3.500 1.933 1.818 2.091 . 0 0 "[ . 1 . 2]" 1
1301 1 61 PHE HZ 1 78 LYS QB 3.300 2.300 4.300 3.194 2.882 3.456 . 0 0 "[ . 1 . 2]" 1
1302 1 61 PHE HZ 1 79 LEU H 4.170 3.170 5.170 4.571 4.099 5.085 . 0 0 "[ . 1 . 2]" 1
1303 1 62 ALA H 1 62 ALA MB 1.910 . 2.910 2.217 2.181 2.247 . 0 0 "[ . 1 . 2]" 1
1304 1 62 ALA H 1 63 ASP H 2.730 . 3.730 2.674 2.424 2.821 . 0 0 "[ . 1 . 2]" 1
1305 1 62 ALA H 1 64 GLY H 3.840 2.840 4.840 4.119 3.970 4.238 . 0 0 "[ . 1 . 2]" 1
1306 1 62 ALA H 1 79 LEU QD 4.440 3.440 5.440 4.159 3.506 4.620 . 0 0 "[ . 1 . 2]" 1
1307 1 62 ALA H 1 82 ILE MD 2.860 . 3.860 2.934 2.594 3.300 . 0 0 "[ . 1 . 2]" 1
1308 1 62 ALA HA 1 64 GLY H 3.180 2.180 4.180 3.621 3.411 3.816 . 0 0 "[ . 1 . 2]" 1
1309 1 62 ALA HA 1 82 ILE MG 3.720 2.720 4.720 4.514 4.278 4.740 0.020 10 0 "[ . 1 . 2]" 1
1310 1 62 ALA MB 1 63 ASP H 2.540 . 3.540 3.003 2.770 3.139 . 0 0 "[ . 1 . 2]" 1
1311 1 62 ALA MB 1 63 ASP HA 3.900 2.900 4.900 3.993 3.825 4.102 . 0 0 "[ . 1 . 2]" 1
1312 1 62 ALA MB 1 82 ILE MG 2.100 . 3.100 2.050 1.936 2.258 . 0 0 "[ . 1 . 2]" 1
1313 1 63 ASP H 1 63 ASP HB2 2.930 . 3.930 3.457 2.503 3.712 . 0 0 "[ . 1 . 2]" 1
1314 1 63 ASP H 1 63 ASP QB 2.330 . 3.330 2.509 2.134 2.674 . 0 0 "[ . 1 . 2]" 1
1315 1 63 ASP H 1 63 ASP HB3 2.930 . 3.930 2.592 2.242 2.742 . 0 0 "[ . 1 . 2]" 1
1316 1 63 ASP H 1 64 GLY H 2.100 . 3.100 2.362 2.203 2.484 . 0 0 "[ . 1 . 2]" 1
1317 1 63 ASP H 1 64 GLY HA2 4.030 3.030 5.030 4.694 4.551 4.846 . 0 0 "[ . 1 . 2]" 1
1318 1 63 ASP H 1 64 GLY HA3 4.340 3.340 5.340 5.045 4.934 5.138 . 0 0 "[ . 1 . 2]" 1
1319 1 63 ASP H 1 65 SER H 3.170 2.170 4.170 3.839 3.455 4.349 0.179 12 0 "[ . 1 . 2]" 1
1320 1 63 ASP H 1 82 ILE MD 2.540 . 3.540 2.507 2.254 2.801 . 0 0 "[ . 1 . 2]" 1
1321 1 63 ASP H 1 82 ILE MG 3.220 2.220 4.220 3.243 2.747 3.769 . 0 0 "[ . 1 . 2]" 1
1322 1 63 ASP HA 1 82 ILE MG 4.050 3.050 5.050 3.862 3.525 4.437 . 0 0 "[ . 1 . 2]" 1
1323 1 63 ASP QB 1 64 GLY H 3.040 2.040 4.040 3.629 2.998 3.851 . 0 0 "[ . 1 . 2]" 1
1324 1 63 ASP QB 1 65 SER H 3.110 2.110 4.110 3.704 2.769 4.281 0.171 17 0 "[ . 1 . 2]" 1
1325 1 63 ASP QB 1 82 ILE HA 4.340 3.340 5.340 4.418 3.884 4.936 . 0 0 "[ . 1 . 2]" 1
1326 1 63 ASP QB 1 82 ILE MG 3.490 2.490 4.490 2.927 2.447 3.480 0.043 16 0 "[ . 1 . 2]" 1
1327 1 63 ASP HB2 1 64 GLY H 3.810 2.810 4.810 4.263 4.115 4.389 . 0 0 "[ . 1 . 2]" 1
1328 1 63 ASP HB3 1 64 GLY H 3.810 2.810 4.810 3.980 3.080 4.304 . 0 0 "[ . 1 . 2]" 1
1329 1 64 GLY H 1 65 SER H 1.720 . 2.720 2.572 2.214 2.883 0.163 12 0 "[ . 1 . 2]" 1
1330 1 64 GLY H 1 82 ILE MD 4.480 3.480 5.480 4.448 4.250 4.750 . 0 0 "[ . 1 . 2]" 1
1331 1 65 SER H 1 65 SER HB2 2.880 . 3.880 2.827 2.465 3.685 . 0 0 "[ . 1 . 2]" 1
1332 1 65 SER H 1 65 SER QB 2.390 . 3.390 2.487 2.222 2.977 . 0 0 "[ . 1 . 2]" 1
1333 1 65 SER H 1 65 SER HB3 2.880 . 3.880 3.035 2.451 3.711 . 0 0 "[ . 1 . 2]" 1
1334 1 65 SER HA 1 66 THR H 1.980 . 2.980 2.311 2.200 2.529 . 0 0 "[ . 1 . 2]" 1
1335 1 65 SER HA 1 66 THR MG 3.220 2.220 4.220 3.864 3.516 4.227 0.007 3 0 "[ . 1 . 2]" 1
1336 1 65 SER QB 1 66 THR H 2.020 . 3.020 2.950 2.236 3.599 0.579 16 4 "[ - . * 1 * .+ 2]" 1
1337 1 65 SER HB2 1 66 THR H 2.630 . 3.630 3.581 2.643 4.127 0.497 7 0 "[ . 1 . 2]" 1
1338 1 65 SER HB3 1 66 THR H 2.630 . 3.630 3.355 2.286 4.020 0.390 16 0 "[ . 1 . 2]" 1
1339 1 66 THR H 1 66 THR MG 2.750 . 3.750 3.111 2.795 3.339 . 0 0 "[ . 1 . 2]" 1
1340 1 66 THR H 1 67 LEU H 3.700 2.700 4.700 4.384 4.291 4.428 . 0 0 "[ . 1 . 2]" 1
1341 1 66 THR H 1 67 LEU QD 4.440 3.440 5.440 4.385 4.134 4.727 . 0 0 "[ . 1 . 2]" 1
1342 1 66 THR HA 1 66 THR MG 2.320 . 3.320 2.231 2.174 2.307 . 0 0 "[ . 1 . 2]" 1
1343 1 66 THR HA 1 67 LEU H 2.060 . 3.060 2.207 2.156 2.305 . 0 0 "[ . 1 . 2]" 1
1344 1 66 THR HA 1 67 LEU QB 4.310 3.310 5.310 4.463 4.382 4.650 . 0 0 "[ . 1 . 2]" 1
1345 1 66 THR HB 1 67 LEU H 2.430 . 3.430 2.845 2.421 3.167 . 0 0 "[ . 1 . 2]" 1
1346 1 66 THR MG 1 67 LEU H 3.300 2.300 4.300 3.426 3.299 3.628 . 0 0 "[ . 1 . 2]" 1
1347 1 67 LEU H 1 67 LEU QB 2.470 . 3.470 2.691 2.630 2.799 . 0 0 "[ . 1 . 2]" 1
1348 1 67 LEU H 1 67 LEU QD 3.540 2.540 4.540 3.624 3.433 3.772 . 0 0 "[ . 1 . 2]" 1
1349 1 67 LEU H 1 67 LEU HG 3.080 2.080 4.080 3.332 3.039 3.599 . 0 0 "[ . 1 . 2]" 1
1350 1 67 LEU H 1 68 THR H 3.450 2.450 4.450 4.203 3.986 4.345 . 0 0 "[ . 1 . 2]" 1
1351 1 67 LEU H 1 70 PRO QG 4.230 3.230 5.230 4.140 3.956 4.399 . 0 0 "[ . 1 . 2]" 1
1352 1 67 LEU HA 1 67 LEU QD . 2.160 2.820 2.144 2.120 2.245 0.040 15 0 "[ . 1 . 2]" 1
1353 1 67 LEU HA 1 68 THR H 1.880 . 2.880 2.140 2.077 2.200 . 0 0 "[ . 1 . 2]" 1
1354 1 67 LEU QB 1 67 LEU QD 2.150 . 3.150 1.954 1.924 1.978 . 0 0 "[ . 1 . 2]" 1
1355 1 67 LEU QB 1 68 THR H 2.560 . 3.560 3.162 2.779 3.366 . 0 0 "[ . 1 . 2]" 1
1356 1 67 LEU QB 1 68 THR HA 4.500 3.500 5.500 4.549 4.430 4.662 . 0 0 "[ . 1 . 2]" 1
1357 1 67 LEU QB 1 69 ASN H 4.230 3.230 5.230 5.373 5.154 5.520 0.290 18 0 "[ . 1 . 2]" 1
1358 1 67 LEU QB 1 70 PRO HB2 3.140 2.140 4.140 3.927 3.692 4.156 0.016 8 0 "[ . 1 . 2]" 1
1359 1 67 LEU QB 1 70 PRO HB3 2.980 . 3.980 2.844 2.447 3.174 . 0 0 "[ . 1 . 2]" 1
1360 1 67 LEU QB 1 70 PRO QD 3.450 2.450 4.450 3.525 3.020 3.790 . 0 0 "[ . 1 . 2]" 1
1361 1 67 LEU QD 1 68 THR H 2.360 . 3.360 3.577 3.416 3.807 0.447 2 0 "[ . 1 . 2]" 1
1362 1 67 LEU QD 1 70 PRO HB3 3.470 2.470 4.470 2.996 2.552 3.335 . 0 0 "[ . 1 . 2]" 1
1363 1 67 LEU QD 1 70 PRO QG 3.600 2.600 4.600 3.014 2.600 3.387 0.000 2 0 "[ . 1 . 2]" 1
1364 1 67 LEU QD 1 71 SER H 4.300 3.300 5.300 5.368 4.749 5.917 0.617 13 2 "[ . 1 -+ . 2]" 1
1365 1 67 LEU QD 1 75 VAL H 3.700 2.700 4.700 4.534 3.841 5.063 0.363 7 0 "[ . 1 . 2]" 1
1366 1 67 LEU QD 1 75 VAL HA 2.950 . 3.950 3.125 2.559 3.856 . 0 0 "[ . 1 . 2]" 1
1367 1 67 LEU QD 1 78 LYS H 3.670 2.670 4.670 4.449 3.995 4.954 0.284 7 0 "[ . 1 . 2]" 1
1368 1 67 LEU QD 1 78 LYS QD 1.650 . 2.650 2.162 1.862 2.668 0.018 20 0 "[ . 1 . 2]" 1
1369 1 67 LEU QD 1 78 LYS QE 3.480 2.480 4.480 3.229 2.653 3.823 . 0 0 "[ . 1 . 2]" 1
1370 1 67 LEU QD 1 78 LYS QG 2.220 . 3.220 3.203 2.797 3.370 0.150 14 0 "[ . 1 . 2]" 1
1371 1 67 LEU HG 1 68 THR H 4.080 3.080 5.080 5.212 5.083 5.333 0.253 2 0 "[ . 1 . 2]" 1
1372 1 67 LEU HG 1 78 LYS QD 2.480 . 3.480 2.861 2.396 3.254 . 0 0 "[ . 1 . 2]" 1
1373 1 68 THR H 1 68 THR HB 2.180 . 3.180 2.601 2.498 2.705 . 0 0 "[ . 1 . 2]" 1
1374 1 68 THR H 1 68 THR MG 2.720 . 3.720 3.669 3.599 3.705 . 0 0 "[ . 1 . 2]" 1
1375 1 68 THR HA 1 68 THR MG 1.970 . 2.970 2.293 2.207 2.350 . 0 0 "[ . 1 . 2]" 1
1376 1 68 THR HA 1 69 ASN H 1.930 . 2.930 2.294 2.235 2.335 . 0 0 "[ . 1 . 2]" 1
1377 1 68 THR HA 1 69 ASN HA 3.380 2.380 4.380 4.287 4.209 4.378 . 0 0 "[ . 1 . 2]" 1
1378 1 68 THR HA 1 70 PRO QD 3.940 2.940 4.940 3.946 3.792 4.099 . 0 0 "[ . 1 . 2]" 1
1379 1 68 THR HB 1 69 ASN H 3.590 2.590 4.590 3.869 3.730 3.991 . 0 0 "[ . 1 . 2]" 1
1380 1 68 THR MG 1 69 ASN H 2.440 . 3.440 2.425 2.242 2.568 . 0 0 "[ . 1 . 2]" 1
1381 1 68 THR MG 1 69 ASN HA 4.500 3.500 5.500 4.390 4.226 4.510 . 0 0 "[ . 1 . 2]" 1
1382 1 68 THR MG 1 69 ASN HB2 4.060 3.060 5.060 4.284 3.291 4.992 . 0 0 "[ . 1 . 2]" 1
1383 1 68 THR MG 1 69 ASN QB 3.360 2.360 4.360 3.452 2.917 3.894 . 0 0 "[ . 1 . 2]" 1
1384 1 68 THR MG 1 69 ASN HB3 4.060 3.060 5.060 3.654 3.249 4.064 . 0 0 "[ . 1 . 2]" 1
1385 1 69 ASN H 1 69 ASN HB2 3.130 2.130 4.130 3.134 2.419 3.776 . 0 0 "[ . 1 . 2]" 1
1386 1 69 ASN H 1 69 ASN QB 2.540 . 3.540 2.483 2.315 2.642 . 0 0 "[ . 1 . 2]" 1
1387 1 69 ASN H 1 69 ASN HB3 3.130 2.130 4.130 2.804 2.494 3.096 . 0 0 "[ . 1 . 2]" 1
1388 1 69 ASN H 1 70 PRO QD 2.830 . 3.280 3.199 3.130 3.321 0.041 10 0 "[ . 1 . 2]" 1
1389 1 69 ASN HA 1 69 ASN HD21 3.670 2.670 4.670 4.464 4.129 4.594 . 0 0 "[ . 1 . 2]" 1
1390 1 69 ASN HA 1 70 PRO QG 3.900 2.900 4.900 3.821 3.751 3.952 . 0 0 "[ . 1 . 2]" 1
1391 1 69 ASN QB 1 69 ASN HD21 2.020 . 3.020 2.176 2.125 2.234 . 0 0 "[ . 1 . 2]" 1
1392 1 69 ASN QB 1 70 PRO QD 3.670 2.670 4.670 3.588 3.397 3.812 . 0 0 "[ . 1 . 2]" 1
1393 1 70 PRO HA 1 71 SER H 1.820 . 2.820 2.276 2.135 2.531 . 0 0 "[ . 1 . 2]" 1
1394 1 70 PRO HA 1 75 VAL MG1 3.800 2.800 4.800 4.484 4.300 4.620 . 0 0 "[ . 1 . 2]" 1
1395 1 70 PRO HA 1 75 VAL MG2 4.500 3.500 5.500 5.620 5.574 5.669 0.169 8 0 "[ . 1 . 2]" 1
1396 1 70 PRO HB2 1 71 SER H 2.660 . 3.660 2.815 2.124 3.364 . 0 0 "[ . 1 . 2]" 1
1397 1 70 PRO HB2 1 71 SER HA 3.710 2.710 4.710 4.451 4.042 4.717 0.007 13 0 "[ . 1 . 2]" 1
1398 1 70 PRO HB2 1 74 GLU HB2 2.410 . 3.410 2.338 2.069 2.626 . 0 0 "[ . 1 . 2]" 1
1399 1 70 PRO HB2 1 74 GLU QG 3.260 2.260 4.260 3.975 3.462 4.273 0.013 16 0 "[ . 1 . 2]" 1
1400 1 70 PRO HB2 1 75 VAL H 3.460 2.460 4.460 3.347 3.012 3.655 . 0 0 "[ . 1 . 2]" 1
1401 1 70 PRO HB2 1 75 VAL MG1 2.680 . 3.680 2.170 2.011 2.529 . 0 0 "[ . 1 . 2]" 1
1402 1 70 PRO HB3 1 71 SER H 2.800 . 3.800 3.517 3.008 3.906 0.106 14 0 "[ . 1 . 2]" 1
1403 1 70 PRO HB3 1 75 VAL H 3.790 2.790 4.790 4.812 4.364 5.112 0.322 16 0 "[ . 1 . 2]" 1
1404 1 70 PRO HB3 1 75 VAL MG1 2.750 . 3.750 3.355 3.095 3.761 0.011 6 0 "[ . 1 . 2]" 1
1405 1 70 PRO QD 1 75 VAL MG1 4.300 3.300 5.300 3.305 3.220 3.505 0.080 16 0 "[ . 1 . 2]" 1
1406 1 70 PRO QG 1 71 SER H . 3.500 4.430 4.397 3.766 4.715 0.285 13 0 "[ . 1 . 2]" 1
1407 1 70 PRO QG 1 75 VAL H 3.610 2.610 4.610 4.385 4.057 4.541 . 0 0 "[ . 1 . 2]" 1
1408 1 70 PRO QG 1 75 VAL MG1 2.310 . 3.310 1.914 1.839 1.980 . 0 0 "[ . 1 . 2]" 1
1409 1 70 PRO QG 1 75 VAL MG2 2.870 . 3.870 3.669 3.157 3.788 . 0 0 "[ . 1 . 2]" 1
1410 1 71 SER H 1 71 SER HB2 2.920 . 3.920 2.739 2.448 3.582 . 0 0 "[ . 1 . 2]" 1
1411 1 71 SER H 1 71 SER QB 2.350 . 3.350 2.456 2.212 2.889 . 0 0 "[ . 1 . 2]" 1
1412 1 71 SER H 1 71 SER HB3 2.920 . 3.920 3.059 2.405 3.701 . 0 0 "[ . 1 . 2]" 1
1413 1 71 SER H 1 72 ALA H 4.100 3.100 5.100 4.498 4.364 4.584 . 0 0 "[ . 1 . 2]" 1
1414 1 71 SER H 1 73 ASP QB 4.340 3.340 5.340 5.693 4.770 6.651 1.311 7 8 "[ * . + *-* **. * 2]" 1
1415 1 71 SER H 1 74 GLU H 2.980 . 3.980 3.791 3.278 4.173 0.193 14 0 "[ . 1 . 2]" 1
1416 1 71 SER H 1 74 GLU HB2 2.390 . 3.390 2.576 1.900 3.012 . 0 0 "[ . 1 . 2]" 1
1417 1 71 SER H 1 74 GLU HB3 2.560 . 3.560 3.872 3.428 4.315 0.755 12 4 "[ - .* 1 + . * 2]" 1
1418 1 71 SER H 1 74 GLU HG2 2.980 . 3.980 3.615 2.564 4.444 0.464 6 0 "[ . 1 . 2]" 1
1419 1 71 SER H 1 74 GLU QG 2.480 . 3.480 2.752 2.125 3.237 . 0 0 "[ . 1 . 2]" 1
1420 1 71 SER H 1 74 GLU HG3 2.980 . 3.980 2.951 2.183 4.416 0.436 8 0 "[ . 1 . 2]" 1
1421 1 71 SER H 1 75 VAL H 4.070 3.070 5.070 4.420 3.671 4.793 . 0 0 "[ . 1 . 2]" 1
1422 1 71 SER H 1 75 VAL MG2 3.660 2.660 4.660 4.681 4.089 5.078 0.418 13 0 "[ . 1 . 2]" 1
1423 1 71 SER HA 1 72 ALA H 2.130 . 3.130 2.516 2.348 2.644 . 0 0 "[ . 1 . 2]" 1
1424 1 71 SER HA 1 73 ASP H 3.640 2.640 4.640 4.572 4.179 4.879 0.239 10 0 "[ . 1 . 2]" 1
1425 1 71 SER HA 1 75 VAL MG1 3.910 2.910 4.910 4.862 4.589 4.940 0.030 7 0 "[ . 1 . 2]" 1
1426 1 71 SER QB 1 72 ALA H 2.340 . 3.340 2.695 2.226 3.335 . 0 0 "[ . 1 . 2]" 1
1427 1 71 SER QB 1 72 ALA MB 3.750 2.750 4.750 4.067 3.644 4.582 . 0 0 "[ . 1 . 2]" 1
1428 1 71 SER QB 1 73 ASP H 2.540 . 3.540 3.116 2.696 3.703 0.163 10 0 "[ . 1 . 2]" 1
1429 1 71 SER QB 1 74 GLU H 2.330 . 3.330 3.097 2.540 3.742 0.412 4 0 "[ . 1 . 2]" 1
1430 1 71 SER QB 1 74 GLU QG 2.530 . 3.530 2.642 2.018 3.582 0.052 18 0 "[ . 1 . 2]" 1
1431 1 71 SER HB2 1 72 ALA H 3.130 2.130 4.130 3.375 2.406 3.919 . 0 0 "[ . 1 . 2]" 1
1432 1 71 SER HB2 1 73 ASP H 3.360 2.360 4.360 3.831 2.720 5.113 0.753 10 3 "[ . + -*. 2]" 1
1433 1 71 SER HB3 1 72 ALA H 3.130 2.130 4.130 3.011 2.258 3.769 . 0 0 "[ . 1 . 2]" 1
1434 1 71 SER HB3 1 73 ASP H 3.360 2.360 4.360 3.608 3.070 4.595 0.235 4 0 "[ . 1 . 2]" 1
1435 1 72 ALA H 1 72 ALA MB 1.940 . 2.940 2.225 2.189 2.271 . 0 0 "[ . 1 . 2]" 1
1436 1 72 ALA H 1 73 ASP H 2.940 . 3.940 2.754 2.563 3.014 . 0 0 "[ . 1 . 2]" 1
1437 1 72 ALA HA 1 74 GLU H 4.030 3.030 5.030 4.263 4.026 4.574 . 0 0 "[ . 1 . 2]" 1
1438 1 72 ALA HA 1 75 VAL H 3.120 2.120 4.120 3.559 3.411 3.772 . 0 0 "[ . 1 . 2]" 1
1439 1 72 ALA HA 1 76 LYS H 3.230 2.230 4.230 4.021 3.850 4.215 . 0 0 "[ . 1 . 2]" 1
1440 1 72 ALA HA 1 76 LYS HB2 4.500 3.500 5.500 5.465 5.288 5.545 0.045 16 0 "[ . 1 . 2]" 1
1441 1 72 ALA HA 1 76 LYS HG3 3.430 2.430 4.430 3.955 3.570 4.246 . 0 0 "[ . 1 . 2]" 1
1442 1 72 ALA MB 1 73 ASP H 2.200 . 3.200 2.607 2.432 2.726 . 0 0 "[ . 1 . 2]" 1
1443 1 72 ALA MB 1 74 GLU H 3.700 2.700 4.700 4.475 4.276 4.658 . 0 0 "[ . 1 . 2]" 1
1444 1 72 ALA MB 1 75 VAL H 4.240 3.240 5.240 4.722 4.627 4.817 . 0 0 "[ . 1 . 2]" 1
1445 1 72 ALA MB 1 75 VAL MG2 2.520 . 3.520 3.312 3.084 3.529 0.009 13 0 "[ . 1 . 2]" 1
1446 1 72 ALA MB 1 76 LYS QE 4.340 3.340 5.340 4.987 4.561 5.353 0.013 18 0 "[ . 1 . 2]" 1
1447 1 73 ASP H 1 73 ASP HB2 2.660 . 3.660 2.765 2.451 3.654 . 0 0 "[ . 1 . 2]" 1
1448 1 73 ASP H 1 73 ASP QB 2.020 . 3.020 2.428 2.222 2.732 . 0 0 "[ . 1 . 2]" 1
1449 1 73 ASP H 1 73 ASP HB3 2.660 . 3.660 3.025 2.385 3.680 0.020 10 0 "[ . 1 . 2]" 1
1450 1 73 ASP H 1 74 GLU H 2.250 . 3.250 2.577 2.309 2.856 . 0 0 "[ . 1 . 2]" 1
1451 1 73 ASP H 1 74 GLU QG 3.250 2.250 4.250 4.136 3.632 5.248 0.998 8 1 "[ . + 1 . 2]" 1
1452 1 73 ASP H 1 75 VAL H 3.440 2.440 4.440 4.235 4.116 4.373 . 0 0 "[ . 1 . 2]" 1
1453 1 73 ASP H 1 75 VAL MG2 4.220 3.220 5.220 4.180 4.076 4.320 . 0 0 "[ . 1 . 2]" 1
1454 1 73 ASP H 1 76 LYS HB2 4.140 3.140 5.140 5.099 4.780 5.351 0.211 11 0 "[ . 1 . 2]" 1
1455 1 73 ASP HA 1 75 VAL H 4.310 3.310 5.310 4.480 4.089 4.850 . 0 0 "[ . 1 . 2]" 1
1456 1 73 ASP HA 1 76 LYS H 3.000 . 4.000 3.486 2.911 3.994 . 0 0 "[ . 1 . 2]" 1
1457 1 73 ASP HA 1 76 LYS HB2 2.750 . 3.750 2.626 2.019 3.258 . 0 0 "[ . 1 . 2]" 1
1458 1 73 ASP HA 1 76 LYS HB3 3.440 2.440 4.440 4.229 3.621 4.871 0.431 2 0 "[ . 1 . 2]" 1
1459 1 73 ASP HA 1 76 LYS HD3 2.820 . 3.820 2.560 1.866 3.600 . 0 0 "[ . 1 . 2]" 1
1460 1 73 ASP HA 1 76 LYS HE2 4.500 3.500 5.500 4.496 3.455 5.522 0.045 12 0 "[ . 1 . 2]" 1
1461 1 73 ASP HA 1 76 LYS HE3 4.500 3.500 5.500 5.101 4.345 6.227 0.727 2 2 "[ + . 1 . - 2]" 1
1462 1 73 ASP HA 1 77 ALA H 4.240 3.240 5.240 4.248 3.722 4.610 . 0 0 "[ . 1 . 2]" 1
1463 1 73 ASP QB 1 74 GLU H 2.210 . 3.210 2.877 2.270 3.639 0.429 11 0 "[ . 1 . 2]" 1
1464 1 73 ASP QB 1 74 GLU QG 3.590 2.590 4.590 3.586 2.847 4.542 . 0 0 "[ . 1 . 2]" 1
1465 1 73 ASP QB 1 75 VAL H 4.340 3.340 5.340 4.939 4.542 5.415 0.075 7 0 "[ . 1 . 2]" 1
1466 1 73 ASP HB2 1 74 GLU H 2.850 . 3.850 3.466 2.319 4.100 0.250 9 0 "[ . 1 . 2]" 1
1467 1 73 ASP HB3 1 74 GLU H 2.850 . 3.850 3.403 2.451 4.306 0.456 11 0 "[ . 1 . 2]" 1
1468 1 74 GLU H 1 74 GLU HB2 2.130 . 3.130 2.477 2.385 2.576 . 0 0 "[ . 1 . 2]" 1
1469 1 74 GLU H 1 74 GLU HB3 2.790 . 3.790 3.594 3.559 3.630 . 0 0 "[ . 1 . 2]" 1
1470 1 74 GLU H 1 74 GLU HG2 2.790 . 3.790 2.938 2.096 3.724 . 0 0 "[ . 1 . 2]" 1
1471 1 74 GLU H 1 74 GLU QG 1.970 . 2.970 2.297 2.027 3.290 0.320 8 0 "[ . 1 . 2]" 1
1472 1 74 GLU H 1 74 GLU HG3 2.790 . 3.790 2.960 2.046 3.993 0.203 11 0 "[ . 1 . 2]" 1
1473 1 74 GLU H 1 75 VAL MG2 2.590 . 3.590 3.703 3.468 3.908 0.318 5 0 "[ . 1 . 2]" 1
1474 1 74 GLU H 1 76 LYS H 3.030 2.030 4.030 3.993 3.692 4.206 0.176 1 0 "[ . 1 . 2]" 1
1475 1 74 GLU H 1 76 LYS HB2 3.890 2.890 4.890 4.984 4.621 5.272 0.382 18 0 "[ . 1 . 2]" 1
1476 1 74 GLU HA 1 75 VAL MG2 4.500 3.500 5.500 4.973 4.907 5.043 . 0 0 "[ . 1 . 2]" 1
1477 1 74 GLU HA 1 76 LYS H 3.630 2.630 4.630 4.490 4.385 4.670 0.040 1 0 "[ . 1 . 2]" 1
1478 1 74 GLU HA 1 77 ALA H 2.710 . 3.710 3.665 3.385 3.832 0.122 10 0 "[ . 1 . 2]" 1
1479 1 74 GLU HA 1 77 ALA MB 2.230 . 3.230 2.968 2.628 3.266 0.036 12 0 "[ . 1 . 2]" 1
1480 1 74 GLU HB2 1 75 VAL H 2.370 . 3.370 2.533 2.346 2.746 . 0 0 "[ . 1 . 2]" 1
1481 1 74 GLU HB2 1 75 VAL MG1 3.570 2.570 4.570 3.330 3.125 3.552 . 0 0 "[ . 1 . 2]" 1
1482 1 74 GLU HB2 1 75 VAL MG2 3.380 2.380 4.380 3.763 3.570 3.943 . 0 0 "[ . 1 . 2]" 1
1483 1 74 GLU HB3 1 75 VAL H 2.920 . 3.920 3.573 3.432 3.856 . 0 0 "[ . 1 . 2]" 1
1484 1 74 GLU HB3 1 75 VAL HA 3.810 2.810 4.810 4.321 4.080 4.587 . 0 0 "[ . 1 . 2]" 1
1485 1 74 GLU HB3 1 77 ALA H 4.460 3.460 5.460 5.465 5.135 5.688 0.228 1 0 "[ . 1 . 2]" 1
1486 1 74 GLU QG 1 75 VAL H 2.960 . 3.960 4.005 3.768 4.424 0.464 8 0 "[ . 1 . 2]" 1
1487 1 75 VAL H 1 75 VAL HB 2.690 . 3.690 3.669 3.647 3.693 0.003 20 0 "[ . 1 . 2]" 1
1488 1 75 VAL H 1 75 VAL MG1 2.150 . 3.150 2.532 2.404 2.620 . 0 0 "[ . 1 . 2]" 1
1489 1 75 VAL H 1 75 VAL MG2 2.020 . 3.020 1.918 1.858 1.961 . 0 0 "[ . 1 . 2]" 1
1490 1 75 VAL H 1 76 LYS H 2.150 . 3.150 2.620 2.463 2.751 . 0 0 "[ . 1 . 2]" 1
1491 1 75 VAL HA 1 75 VAL MG1 2.170 . 3.170 2.256 2.225 2.314 . 0 0 "[ . 1 . 2]" 1
1492 1 75 VAL HA 1 75 VAL MG2 2.340 . 3.340 3.177 3.153 3.204 . 0 0 "[ . 1 . 2]" 1
1493 1 75 VAL HA 1 78 LYS H 3.120 2.120 4.120 3.374 3.168 3.623 . 0 0 "[ . 1 . 2]" 1
1494 1 75 VAL HA 1 78 LYS QB 3.380 2.380 3.790 3.319 2.889 3.792 0.002 11 0 "[ . 1 . 2]" 1
1495 1 75 VAL HA 1 78 LYS QD 4.170 3.170 5.170 4.307 3.227 4.908 . 0 0 "[ . 1 . 2]" 1
1496 1 75 VAL HA 1 79 LEU H 3.610 2.610 4.610 4.019 3.797 4.247 . 0 0 "[ . 1 . 2]" 1
1497 1 75 VAL HB 1 76 LYS H 2.720 . 3.720 3.717 3.520 3.843 0.123 10 0 "[ . 1 . 2]" 1
1498 1 75 VAL HB 1 76 LYS HA 3.850 2.850 4.850 4.418 4.152 4.640 . 0 0 "[ . 1 . 2]" 1
1499 1 75 VAL HB 1 77 ALA H 4.500 3.500 5.500 5.464 5.348 5.688 0.188 17 0 "[ . 1 . 2]" 1
1500 1 75 VAL HB 1 79 LEU QD 4.440 3.440 5.440 3.960 3.466 4.240 . 0 0 "[ . 1 . 2]" 1
1501 1 75 VAL MG1 1 78 LYS H 4.500 3.500 5.500 5.084 4.924 5.278 . 0 0 "[ . 1 . 2]" 1
1502 1 75 VAL MG1 1 79 LEU H 4.500 3.500 5.500 5.247 5.058 5.470 . 0 0 "[ . 1 . 2]" 1
1503 1 75 VAL MG2 1 76 LYS H 2.390 . 3.390 2.270 2.041 2.470 . 0 0 "[ . 1 . 2]" 1
1504 1 75 VAL MG2 1 76 LYS HD2 4.500 3.500 5.500 4.753 4.368 5.010 . 0 0 "[ . 1 . 2]" 1
1505 1 75 VAL MG2 1 76 LYS HD3 4.500 3.500 5.500 4.692 4.393 5.029 . 0 0 "[ . 1 . 2]" 1
1506 1 75 VAL MG2 1 76 LYS HG3 2.530 . 3.530 2.847 2.614 3.087 . 0 0 "[ . 1 . 2]" 1
1507 1 75 VAL MG2 1 77 ALA H 3.490 2.490 4.490 4.497 4.349 4.662 0.172 10 0 "[ . 1 . 2]" 1
1508 1 75 VAL MG2 1 78 LYS H 4.500 3.500 5.500 5.210 5.048 5.370 . 0 0 "[ . 1 . 2]" 1
1509 1 75 VAL MG2 1 79 LEU H 4.450 3.450 5.450 5.135 4.956 5.305 . 0 0 "[ . 1 . 2]" 1
1510 1 76 LYS H 1 76 LYS HB2 2.200 . 3.200 2.418 2.336 2.484 . 0 0 "[ . 1 . 2]" 1
1511 1 76 LYS H 1 76 LYS HB3 2.610 . 3.610 3.608 3.577 3.647 0.037 16 0 "[ . 1 . 2]" 1
1512 1 76 LYS H 1 76 LYS HD3 3.370 2.370 4.370 3.990 3.660 4.270 . 0 0 "[ . 1 . 2]" 1
1513 1 76 LYS H 1 76 LYS QE 4.340 3.340 5.340 4.820 4.605 5.316 . 0 0 "[ . 1 . 2]" 1
1514 1 76 LYS H 1 76 LYS HG2 3.140 2.140 4.140 3.700 3.429 3.853 . 0 0 "[ . 1 . 2]" 1
1515 1 76 LYS H 1 76 LYS HG3 2.700 . 3.700 2.461 2.300 2.622 . 0 0 "[ . 1 . 2]" 1
1516 1 76 LYS H 1 77 ALA H 2.360 . 3.360 2.683 2.596 2.803 . 0 0 "[ . 1 . 2]" 1
1517 1 76 LYS H 1 77 ALA MB 4.130 3.130 5.130 4.323 4.249 4.455 . 0 0 "[ . 1 . 2]" 1
1518 1 76 LYS H 1 78 LYS H 3.580 2.580 4.580 4.302 4.084 4.498 . 0 0 "[ . 1 . 2]" 1
1519 1 76 LYS H 1 79 LEU H 3.880 2.880 4.880 4.731 4.604 4.828 . 0 0 "[ . 1 . 2]" 1
1520 1 76 LYS H 1 79 LEU HB3 4.050 3.050 5.050 4.720 4.386 4.922 . 0 0 "[ . 1 . 2]" 1
1521 1 76 LYS HA 1 76 LYS HD2 4.480 3.480 5.480 4.795 4.682 4.873 . 0 0 "[ . 1 . 2]" 1
1522 1 76 LYS HA 1 76 LYS HD3 3.970 2.970 4.970 4.636 4.599 4.670 . 0 0 "[ . 1 . 2]" 1
1523 1 76 LYS HA 1 76 LYS HG2 2.900 . 3.900 2.562 2.411 2.692 . 0 0 "[ . 1 . 2]" 1
1524 1 76 LYS HA 1 76 LYS HG3 2.670 . 3.670 2.899 2.698 3.090 . 0 0 "[ . 1 . 2]" 1
1525 1 76 LYS HA 1 78 LYS H 3.750 2.750 4.750 4.216 4.032 4.407 . 0 0 "[ . 1 . 2]" 1
1526 1 76 LYS HA 1 79 LEU H 3.060 2.060 4.060 3.396 3.167 3.698 . 0 0 "[ . 1 . 2]" 1
1527 1 76 LYS HA 1 79 LEU HB2 3.260 2.260 4.260 3.503 3.067 3.950 . 0 0 "[ . 1 . 2]" 1
1528 1 76 LYS HA 1 79 LEU HB3 2.420 . 3.420 2.291 1.990 2.715 . 0 0 "[ . 1 . 2]" 1
1529 1 76 LYS HA 1 79 LEU QD 2.440 . 3.440 3.080 2.744 3.411 . 0 0 "[ . 1 . 2]" 1
1530 1 76 LYS HA 1 80 VAL H 3.150 2.150 4.150 3.595 3.410 3.859 . 0 0 "[ . 1 . 2]" 1
1531 1 76 LYS HA 1 80 VAL QG 3.580 2.580 4.580 4.378 4.266 4.475 . 0 0 "[ . 1 . 2]" 1
1532 1 76 LYS HB2 1 76 LYS QE 3.290 2.290 4.290 2.912 2.612 3.850 . 0 0 "[ . 1 . 2]" 1
1533 1 76 LYS HB2 1 77 ALA H 2.470 . 3.470 2.760 2.473 2.968 . 0 0 "[ . 1 . 2]" 1
1534 1 76 LYS HB3 1 76 LYS HD3 2.230 . 3.230 3.123 2.894 3.364 0.134 12 0 "[ . 1 . 2]" 1
1535 1 76 LYS HB3 1 76 LYS QE 3.200 2.200 4.200 2.158 1.907 2.973 0.293 19 0 "[ . 1 . 2]" 1
1536 1 76 LYS HB3 1 77 ALA H 2.650 . 3.650 3.584 3.405 3.762 0.112 20 0 "[ . 1 . 2]" 1
1537 1 76 LYS HB3 1 78 LYS H 4.330 3.330 5.330 5.457 5.296 5.642 0.312 4 0 "[ . 1 . 2]" 1
1538 1 76 LYS HB3 1 79 LEU QD 3.780 2.780 4.780 4.690 4.127 5.189 0.409 1 0 "[ . 1 . 2]" 1
1539 1 76 LYS HB3 1 80 VAL H 3.840 2.840 4.840 4.575 4.334 4.882 0.042 1 0 "[ . 1 . 2]" 1
1540 1 77 ALA H 1 77 ALA MB 1.700 . 2.700 2.221 2.199 2.241 . 0 0 "[ . 1 . 2]" 1
1541 1 77 ALA H 1 78 LYS H 2.150 . 3.150 2.749 2.575 2.852 . 0 0 "[ . 1 . 2]" 1
1542 1 77 ALA H 1 80 VAL HB 4.500 3.500 5.500 5.548 5.184 5.744 0.244 11 0 "[ . 1 . 2]" 1
1543 1 77 ALA H 1 80 VAL QG 3.640 2.640 4.640 4.331 4.204 4.451 . 0 0 "[ . 1 . 2]" 1
1544 1 77 ALA HA 1 80 VAL HB 3.410 2.410 4.410 4.238 3.961 4.426 0.016 1 0 "[ . 1 . 2]" 1
1545 1 77 ALA HA 1 80 VAL QG 2.670 . 3.670 2.561 2.290 2.747 . 0 0 "[ . 1 . 2]" 1
1546 1 77 ALA MB 1 78 LYS H 2.330 . 3.330 2.626 2.528 2.762 . 0 0 "[ . 1 . 2]" 1
1547 1 77 ALA MB 1 78 LYS QG 4.130 3.130 5.130 3.994 3.122 5.113 0.008 9 0 "[ . 1 . 2]" 1
1548 1 77 ALA MB 1 80 VAL H 4.190 3.190 5.190 5.038 4.843 5.149 . 0 0 "[ . 1 . 2]" 1
1549 1 78 LYS H 1 78 LYS QB 2.480 . 2.880 2.364 2.264 2.496 . 0 0 "[ . 1 . 2]" 1
1550 1 78 LYS H 1 78 LYS QD 4.140 3.140 5.140 4.317 3.790 4.670 . 0 0 "[ . 1 . 2]" 1
1551 1 78 LYS H 1 78 LYS HG2 3.690 2.690 4.690 4.149 3.552 4.616 . 0 0 "[ . 1 . 2]" 1
1552 1 78 LYS H 1 78 LYS QG 2.890 . 3.890 3.295 2.550 4.000 0.110 14 0 "[ . 1 . 2]" 1
1553 1 78 LYS H 1 78 LYS HG3 3.690 2.690 4.690 3.524 2.607 4.490 0.083 7 0 "[ . 1 . 2]" 1
1554 1 78 LYS H 1 79 LEU H 2.160 . 3.160 2.370 2.241 2.474 . 0 0 "[ . 1 . 2]" 1
1555 1 78 LYS H 1 79 LEU HB3 3.580 2.580 4.580 4.446 4.145 4.595 0.015 2 0 "[ . 1 . 2]" 1
1556 1 78 LYS H 1 79 LEU QD 4.440 3.440 5.440 5.289 5.136 5.399 . 0 0 "[ . 1 . 2]" 1
1557 1 78 LYS H 1 80 VAL H 3.310 2.310 4.310 4.048 3.916 4.150 . 0 0 "[ . 1 . 2]" 1
1558 1 78 LYS H 1 80 VAL HB 4.500 3.500 5.500 5.819 5.497 6.070 0.570 4 2 "[ +. 1- . 2]" 1
1559 1 78 LYS H 1 80 VAL QG 4.070 3.070 5.070 4.096 3.955 4.231 . 0 0 "[ . 1 . 2]" 1
1560 1 78 LYS H 1 81 LYS QB 4.500 3.500 5.500 5.854 5.500 6.368 0.868 14 3 "[ - * 1 +. 2]" 1
1561 1 78 LYS H 1 82 ILE MD 4.500 3.500 5.500 5.368 4.844 5.891 0.391 4 0 "[ . 1 . 2]" 1
1562 1 78 LYS HA 1 78 LYS QD 3.040 2.040 4.040 4.045 3.905 4.136 0.096 12 0 "[ . 1 . 2]" 1
1563 1 78 LYS HA 1 78 LYS QE 3.720 2.720 4.720 4.426 4.170 4.838 0.118 4 0 "[ . 1 . 2]" 1
1564 1 78 LYS HA 1 78 LYS QG 2.680 . 3.680 2.302 2.235 2.374 . 0 0 "[ . 1 . 2]" 1
1565 1 78 LYS HA 1 80 VAL QG 3.620 2.620 4.620 3.947 3.722 4.208 . 0 0 "[ . 1 . 2]" 1
1566 1 78 LYS HA 1 81 LYS H 2.600 . 3.600 3.789 3.585 4.008 0.408 14 0 "[ . 1 . 2]" 1
1567 1 78 LYS HA 1 81 LYS QB 3.180 2.180 4.180 3.506 3.100 4.175 . 0 0 "[ . 1 . 2]" 1
1568 1 78 LYS HA 1 81 LYS HD2 4.500 3.500 5.500 3.817 3.417 5.382 0.083 7 0 "[ . 1 . 2]" 1
1569 1 78 LYS HA 1 81 LYS HD3 4.500 3.500 5.500 4.606 2.726 5.459 0.774 4 3 "[ +. 1 -* 2]" 1
1570 1 78 LYS QB 1 78 LYS QD 1.910 . 2.910 2.226 2.077 2.401 . 0 0 "[ . 1 . 2]" 1
1571 1 78 LYS QB 1 79 LEU H 2.540 . 3.080 2.542 2.357 2.740 . 0 0 "[ . 1 . 2]" 1
1572 1 78 LYS QB 1 82 ILE MD 2.990 . 3.990 3.026 2.087 4.050 0.060 14 0 "[ . 1 . 2]" 1
1573 1 78 LYS QE 1 82 ILE MD 3.410 2.410 4.410 3.439 2.379 4.476 0.066 20 0 "[ . 1 . 2]" 1
1574 1 78 LYS HE2 1 82 ILE MD 4.220 3.220 5.220 4.303 3.187 5.248 0.033 6 0 "[ . 1 . 2]" 1
1575 1 78 LYS HE3 1 82 ILE MD 4.220 3.220 5.220 3.885 2.398 5.625 0.822 4 4 "[ +. 1 - . * *2]" 1
1576 1 78 LYS QG 1 79 LEU H 3.520 2.520 4.520 4.072 3.630 4.313 . 0 0 "[ . 1 . 2]" 1
1577 1 78 LYS QG 1 82 ILE MD 3.510 2.510 4.510 3.614 2.481 4.529 0.029 16 0 "[ . 1 . 2]" 1
1578 1 78 LYS QG 1 82 ILE QG 4.180 3.180 5.180 4.039 3.134 5.027 0.046 15 0 "[ . 1 . 2]" 1
1579 1 78 LYS HG2 1 79 LEU H 4.180 3.180 5.180 4.616 3.775 5.083 . 0 0 "[ . 1 . 2]" 1
1580 1 78 LYS HG3 1 79 LEU H 4.180 3.180 5.180 4.667 4.259 5.082 . 0 0 "[ . 1 . 2]" 1
1581 1 79 LEU H 1 79 LEU HB2 2.290 . 3.290 2.468 2.407 2.543 . 0 0 "[ . 1 . 2]" 1
1582 1 79 LEU H 1 79 LEU HB3 1.980 . 2.980 2.460 2.358 2.543 . 0 0 "[ . 1 . 2]" 1
1583 1 79 LEU H 1 79 LEU QD 3.340 2.340 3.800 3.684 3.646 3.715 . 0 0 "[ . 1 . 2]" 1
1584 1 79 LEU H 1 80 VAL H 2.360 . 3.360 2.785 2.648 2.865 . 0 0 "[ . 1 . 2]" 1
1585 1 79 LEU HA 1 79 LEU QD 2.970 . 3.160 2.122 2.088 2.205 . 0 0 "[ . 1 . 2]" 1
1586 1 79 LEU HA 1 79 LEU HG 3.070 2.070 4.070 3.190 3.105 3.300 . 0 0 "[ . 1 . 2]" 1
1587 1 79 LEU HA 1 82 ILE H 2.890 . 3.890 3.381 3.213 3.526 . 0 0 "[ . 1 . 2]" 1
1588 1 79 LEU HA 1 82 ILE MD 2.700 . 3.700 2.218 2.060 2.750 . 0 0 "[ . 1 . 2]" 1
1589 1 79 LEU HA 1 82 ILE QG 3.070 2.070 4.070 2.987 2.614 3.502 . 0 0 "[ . 1 . 2]" 1
1590 1 79 LEU HA 1 83 ALA H 4.420 3.420 5.420 4.058 3.726 4.520 . 0 0 "[ . 1 . 2]" 1
1591 1 79 LEU HA 1 83 ALA MB 4.080 3.080 5.080 4.654 4.298 5.091 0.011 14 0 "[ . 1 . 2]" 1
1592 1 79 LEU HB2 1 79 LEU QD 2.540 . 3.070 2.120 2.105 2.134 . 0 0 "[ . 1 . 2]" 1
1593 1 79 LEU HB2 1 80 VAL H 2.940 . 3.940 3.964 3.889 4.039 0.099 4 0 "[ . 1 . 2]" 1
1594 1 79 LEU HB3 1 80 VAL H 1.990 . 2.990 2.708 2.607 2.808 . 0 0 "[ . 1 . 2]" 1
1595 1 79 LEU QD 1 80 VAL H . 3.340 3.800 3.953 3.823 4.050 0.250 7 0 "[ . 1 . 2]" 1
1596 1 79 LEU QD 1 80 VAL HA 4.210 3.210 5.210 4.225 4.033 4.378 . 0 0 "[ . 1 . 2]" 1
1597 1 79 LEU QD 1 81 LYS H 4.320 3.320 5.320 5.023 4.892 5.149 . 0 0 "[ . 1 . 2]" 1
1598 1 79 LEU QD 1 82 ILE H 4.190 3.190 5.190 4.212 4.054 4.445 . 0 0 "[ . 1 . 2]" 1
1599 1 79 LEU QD 1 82 ILE HB 3.760 2.760 4.760 2.760 2.685 2.982 0.075 7 0 "[ . 1 . 2]" 1
1600 1 79 LEU QD 1 83 ALA H 4.440 3.440 5.440 3.623 3.151 4.136 0.289 11 0 "[ . 1 . 2]" 1
1601 1 79 LEU HG 1 83 ALA MB 4.500 3.500 5.500 3.526 3.422 4.017 0.078 20 0 "[ . 1 . 2]" 1
1602 1 80 VAL H 1 80 VAL HB 1.980 . 2.980 2.474 2.376 2.601 . 0 0 "[ . 1 . 2]" 1
1603 1 80 VAL H 1 80 VAL QG 2.790 . 3.470 2.179 2.060 2.305 . 0 0 "[ . 1 . 2]" 1
1604 1 80 VAL H 1 81 LYS H 2.190 . 3.190 2.690 2.547 2.781 . 0 0 "[ . 1 . 2]" 1
1605 1 80 VAL H 1 81 LYS QG 3.570 2.570 4.570 4.166 3.840 4.450 . 0 0 "[ . 1 . 2]" 1
1606 1 80 VAL HA 1 80 VAL QG 2.050 . 3.050 2.305 2.228 2.361 . 0 0 "[ . 1 . 2]" 1
1607 1 80 VAL HA 1 81 LYS HA 3.810 2.810 4.810 4.702 4.659 4.815 0.005 14 0 "[ . 1 . 2]" 1
1608 1 80 VAL HA 1 82 ILE H 3.930 2.930 4.930 4.252 3.871 4.730 . 0 0 "[ . 1 . 2]" 1
1609 1 80 VAL HA 1 82 ILE HB 4.500 3.500 5.500 5.362 5.099 5.537 0.037 17 0 "[ . 1 . 2]" 1
1610 1 80 VAL HA 1 83 ALA H 3.240 2.240 4.240 3.782 3.472 4.133 . 0 0 "[ . 1 . 2]" 1
1611 1 80 VAL HA 1 83 ALA MB 2.820 . 3.820 3.355 2.937 3.888 0.068 4 0 "[ . 1 . 2]" 1
1612 1 80 VAL HA 1 84 GLY H 3.700 2.700 4.700 4.116 2.323 5.744 1.044 5 3 "[ + 1 - . * 2]" 1
1613 1 80 VAL HA 1 85 LEU H 3.840 2.840 4.840 4.443 2.607 6.863 2.023 19 4 "[* . * . -+2]" 1
1614 1 80 VAL HA 1 85 LEU QB 3.390 2.390 4.390 3.783 2.865 4.465 0.075 19 0 "[ . 1 . 2]" 1
1615 1 80 VAL HA 1 85 LEU HG 4.270 3.270 5.270 4.500 3.450 5.297 0.027 1 0 "[ . 1 . 2]" 1
1616 1 80 VAL HA 1 86 GLU QB 4.500 3.500 5.500 5.063 4.190 5.562 0.062 1 0 "[ . 1 . 2]" 1
1617 1 80 VAL HB 1 81 LYS H 3.150 2.150 4.150 4.005 3.890 4.131 . 0 0 "[ . 1 . 2]" 1
1618 1 80 VAL QG 1 81 LYS H 2.940 . 3.550 2.335 2.201 2.586 . 0 0 "[ . 1 . 2]" 1
1619 1 80 VAL QG 1 81 LYS HA 3.050 2.050 4.050 3.167 3.068 3.244 . 0 0 "[ . 1 . 2]" 1
1620 1 80 VAL QG 1 81 LYS QE 3.680 2.680 4.680 3.698 2.585 4.608 0.095 12 0 "[ . 1 . 2]" 1
1621 1 80 VAL QG 1 81 LYS HG2 2.900 . 3.900 2.885 2.029 3.142 . 0 0 "[ . 1 . 2]" 1
1622 1 80 VAL QG 1 81 LYS QG . 2.240 3.190 2.189 2.014 2.450 0.226 12 0 "[ . 1 . 2]" 1
1623 1 80 VAL QG 1 81 LYS HG3 2.900 . 3.900 2.336 2.059 3.395 . 0 0 "[ . 1 . 2]" 1
1624 1 80 VAL QG 1 85 LEU HA 4.500 3.500 5.500 4.863 4.585 5.243 . 0 0 "[ . 1 . 2]" 1
1625 1 80 VAL QG 1 85 LEU QB 3.830 2.830 4.830 2.944 2.667 4.698 0.163 10 0 "[ . 1 . 2]" 1
1626 1 80 VAL QG 1 85 LEU QD 2.510 . 3.510 3.257 2.379 3.556 0.046 9 0 "[ . 1 . 2]" 1
1627 1 80 VAL QG 1 85 LEU HG 4.120 3.120 5.120 4.221 3.338 4.810 . 0 0 "[ . 1 . 2]" 1
1628 1 80 VAL QG 1 86 GLU H 4.500 3.500 5.500 3.000 1.928 4.805 1.572 8 13 "[-***. *+ * **.* ***]" 1
1629 1 80 VAL QG 1 86 GLU HA 4.090 3.090 5.090 4.069 2.984 5.038 0.106 20 0 "[ . 1 . 2]" 1
1630 1 81 LYS H 1 81 LYS QB 2.330 . 3.330 2.458 2.386 2.549 . 0 0 "[ . 1 . 2]" 1
1631 1 81 LYS H 1 81 LYS HD2 4.500 3.500 5.500 4.354 4.088 4.791 . 0 0 "[ . 1 . 2]" 1
1632 1 81 LYS H 1 81 LYS QD 3.830 2.830 4.830 3.962 3.579 4.232 . 0 0 "[ . 1 . 2]" 1
1633 1 81 LYS H 1 81 LYS HD3 4.500 3.500 5.500 4.680 3.764 4.999 . 0 0 "[ . 1 . 2]" 1
1634 1 81 LYS H 1 81 LYS HG2 2.930 . 3.930 3.399 2.257 3.655 . 0 0 "[ . 1 . 2]" 1
1635 1 81 LYS H 1 81 LYS QG 2.450 . 3.450 2.289 2.045 2.495 . 0 0 "[ . 1 . 2]" 1
1636 1 81 LYS H 1 81 LYS HG3 2.930 . 3.930 2.377 2.071 3.318 . 0 0 "[ . 1 . 2]" 1
1637 1 81 LYS H 1 82 ILE H 2.190 . 3.190 2.385 2.278 2.539 . 0 0 "[ . 1 . 2]" 1
1638 1 81 LYS H 1 82 ILE MD 3.990 2.990 4.990 4.831 4.618 5.050 0.060 13 0 "[ . 1 . 2]" 1
1639 1 81 LYS HA 1 81 LYS HD2 4.430 3.430 5.430 4.655 4.051 4.901 . 0 0 "[ . 1 . 2]" 1
1640 1 81 LYS HA 1 81 LYS QD 3.700 2.700 4.700 4.003 3.423 4.267 . 0 0 "[ . 1 . 2]" 1
1641 1 81 LYS HA 1 81 LYS HD3 4.430 3.430 5.430 4.387 3.691 4.953 . 0 0 "[ . 1 . 2]" 1
1642 1 81 LYS HA 1 81 LYS HG2 3.090 2.090 4.090 2.590 2.365 2.855 . 0 0 "[ . 1 . 2]" 1
1643 1 81 LYS HA 1 81 LYS HG3 3.090 2.090 4.090 3.195 2.985 3.839 . 0 0 "[ . 1 . 2]" 1
1644 1 81 LYS QB 1 81 LYS QE 3.050 2.050 4.050 3.187 2.021 3.644 0.029 18 0 "[ . 1 . 2]" 1
1645 1 81 LYS QB 1 82 ILE H 3.640 2.640 4.640 2.761 2.326 3.060 0.314 7 0 "[ . 1 . 2]" 1
1646 1 81 LYS QE 1 81 LYS HG2 3.200 2.200 4.200 2.754 2.350 3.500 . 0 0 "[ . 1 . 2]" 1
1647 1 81 LYS QE 1 81 LYS QG 2.560 . 3.560 2.334 2.083 2.763 . 0 0 "[ . 1 . 2]" 1
1648 1 81 LYS QE 1 81 LYS HG3 3.200 2.200 4.200 2.712 2.274 3.510 . 0 0 "[ . 1 . 2]" 1
1649 1 82 ILE H 1 82 ILE HB 1.820 . 2.820 2.555 2.434 2.641 . 0 0 "[ . 1 . 2]" 1
1650 1 82 ILE H 1 82 ILE MD 2.700 . 3.700 3.565 3.420 3.662 . 0 0 "[ . 1 . 2]" 1
1651 1 82 ILE H 1 82 ILE HG12 2.500 . 3.500 3.389 3.198 3.616 0.116 16 0 "[ . 1 . 2]" 1
1652 1 82 ILE H 1 82 ILE QG 1.990 . 2.990 2.090 1.898 2.310 . 0 0 "[ . 1 . 2]" 1
1653 1 82 ILE H 1 82 ILE HG13 2.500 . 3.500 2.110 1.912 2.337 . 0 0 "[ . 1 . 2]" 1
1654 1 82 ILE H 1 82 ILE MG 2.770 . 3.770 3.786 3.751 3.815 0.045 10 0 "[ . 1 . 2]" 1
1655 1 82 ILE H 1 83 ALA H 2.220 . 3.220 2.551 2.360 2.851 . 0 0 "[ . 1 . 2]" 1
1656 1 82 ILE H 1 83 ALA HA 4.500 3.500 5.500 5.177 5.029 5.405 . 0 0 "[ . 1 . 2]" 1
1657 1 82 ILE HA 1 82 ILE MD 2.910 . 3.910 3.857 3.802 3.911 0.001 14 0 "[ . 1 . 2]" 1
1658 1 82 ILE HA 1 82 ILE QG 2.520 . 3.520 2.455 2.377 2.512 . 0 0 "[ . 1 . 2]" 1
1659 1 82 ILE HA 1 82 ILE MG 2.040 . 3.040 2.397 2.324 2.464 . 0 0 "[ . 1 . 2]" 1
1660 1 82 ILE HB 1 82 ILE MD 2.240 . 3.240 2.414 2.370 2.462 . 0 0 "[ . 1 . 2]" 1
1661 1 82 ILE HB 1 83 ALA H 2.270 . 3.270 2.474 2.124 2.792 . 0 0 "[ . 1 . 2]" 1
1662 1 82 ILE HB 1 83 ALA MB 3.190 2.190 4.190 3.687 3.379 4.028 . 0 0 "[ . 1 . 2]" 1
1663 1 82 ILE HB 1 84 GLY H 4.230 3.230 5.230 4.722 4.358 5.041 . 0 0 "[ . 1 . 2]" 1
1664 1 82 ILE QG 1 82 ILE MG 2.130 . 3.130 2.317 2.286 2.357 . 0 0 "[ . 1 . 2]" 1
1665 1 82 ILE HG12 1 82 ILE MG 2.740 . 3.740 2.377 2.342 2.426 . 0 0 "[ . 1 . 2]" 1
1666 1 82 ILE HG12 1 83 ALA H 3.900 2.900 4.900 4.874 4.695 5.000 0.100 12 0 "[ . 1 . 2]" 1
1667 1 82 ILE HG13 1 82 ILE MG 2.740 . 3.740 3.204 3.190 3.213 . 0 0 "[ . 1 . 2]" 1
1668 1 82 ILE HG13 1 83 ALA H 3.900 2.900 4.900 4.056 3.820 4.219 . 0 0 "[ . 1 . 2]" 1
1669 1 82 ILE MG 1 83 ALA H 2.730 . 3.730 3.428 3.151 3.708 . 0 0 "[ . 1 . 2]" 1
1670 1 82 ILE MG 1 83 ALA HA 2.670 . 3.670 3.468 3.228 3.687 0.017 5 0 "[ . 1 . 2]" 1
1671 1 83 ALA H 1 83 ALA MB 1.750 . 2.750 2.272 2.233 2.339 . 0 0 "[ . 1 . 2]" 1
1672 1 83 ALA H 1 84 GLY H 1.950 . 2.950 2.483 2.198 2.712 . 0 0 "[ . 1 . 2]" 1
1673 1 83 ALA H 1 85 LEU H 3.760 2.760 4.760 4.758 3.762 6.756 1.996 1 4 "[+ . * . -*2]" 1
1674 1 83 ALA MB 1 84 GLY H 2.400 . 3.400 2.824 2.425 3.308 . 0 0 "[ . 1 . 2]" 1
1675 1 83 ALA MB 1 84 GLY QA 3.120 2.120 4.120 3.896 3.645 4.097 . 0 0 "[ . 1 . 2]" 1
1676 1 83 ALA MB 1 85 LEU H 3.180 2.180 4.180 3.546 2.607 4.884 0.704 19 3 "[* . - . +2]" 1
1677 1 83 ALA MB 1 85 LEU QD 3.250 2.250 4.250 2.557 2.239 3.824 0.011 17 0 "[ . 1 . 2]" 1
1678 1 84 GLY H 1 84 GLY QA 1.540 . 2.540 2.234 2.170 2.445 . 0 0 "[ . 1 . 2]" 1
1679 1 84 GLY H 1 85 LEU H 2.460 . 3.460 2.890 2.254 4.329 0.869 19 4 "[* . * . -+2]" 1
1680 1 84 GLY H 1 85 LEU QD 4.440 3.440 5.440 4.140 2.939 5.005 0.501 4 1 "[ +. 1 . 2]" 1
1681 1 84 GLY H 1 85 LEU HG 3.830 2.830 4.830 4.314 3.344 6.052 1.222 11 4 "[- . *+ .* 2]" 1
1682 1 84 GLY H 1 86 GLU H 4.120 3.120 5.120 4.961 3.816 6.616 1.496 12 4 "[ * -1*+ . 2]" 1
1683 1 84 GLY QA 1 85 LEU H 2.090 . 3.090 2.459 1.905 2.852 . 0 0 "[ . 1 . 2]" 1
1684 1 84 GLY QA 1 85 LEU HG 4.100 3.100 5.100 4.411 3.597 5.400 0.300 11 0 "[ . 1 . 2]" 1
1685 1 85 LEU H 1 85 LEU QB 2.220 . 3.220 2.696 2.380 3.417 0.197 19 0 "[ . 1 . 2]" 1
1686 1 85 LEU H 1 85 LEU QD 3.130 2.130 3.550 3.022 1.698 3.830 0.432 16 0 "[ . 1 . 2]" 1
1687 1 85 LEU H 1 85 LEU HG 1.900 . 2.900 3.036 2.343 4.712 1.812 1 3 "[+ . *- . 2]" 1
1688 1 85 LEU H 1 86 GLU H 2.740 . 3.740 3.125 1.894 4.531 0.791 12 3 "[ - *1 + . 2]" 1
1689 1 85 LEU H 1 86 GLU QB 4.280 3.280 5.280 4.735 3.583 5.997 0.717 19 4 "[* . * . -+2]" 1
1690 1 85 LEU HB2 1 86 GLU H 3.350 2.350 4.350 2.911 1.730 4.228 0.620 20 1 "[ . 1 . +]" 1
1691 1 85 LEU HB3 1 86 GLU H 3.350 2.350 4.350 3.435 2.306 4.418 0.068 15 0 "[ . 1 . 2]" 1
1692 1 85 LEU QD 1 86 GLU H . 3.500 4.310 3.617 2.212 4.364 1.288 4 3 "[ +. 1- .* 2]" 1
1693 1 85 LEU HG 1 86 GLU H 3.850 2.850 4.850 4.306 2.389 5.280 0.461 16 0 "[ . 1 . 2]" 1
1694 1 86 GLU H 1 86 GLU QB 2.190 . 3.190 2.661 2.278 3.344 0.154 9 0 "[ . 1 . 2]" 1
1695 1 86 GLU H 1 86 GLU HG2 3.160 2.160 4.160 3.661 2.166 5.065 0.905 20 2 "[ - 1 . +]" 1
1696 1 86 GLU H 1 86 GLU HG3 3.160 2.160 4.160 3.907 2.331 4.803 0.643 20 2 "[ . - 1 . +]" 1
1697 1 86 GLU H 1 87 HIS H 4.500 3.500 5.500 3.566 2.214 4.603 1.286 17 6 "[ - . 1 ** * +* 2]" 1
1698 1 86 GLU QB 1 87 HIS H 2.680 . 3.680 3.263 1.947 3.970 0.290 8 0 "[ . 1 . 2]" 1
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