NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522756 |
2l6a   |
17305 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l6a
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 1709
_Distance_constraint_stats_list.Viol_count 2584
_Distance_constraint_stats_list.Viol_total 21706.785
_Distance_constraint_stats_list.Viol_max 6.140
_Distance_constraint_stats_list.Viol_rms 0.2489
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0318
_Distance_constraint_stats_list.Viol_average_violations_only 0.4200
_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 4 LEU 0.132 0.132 1 0 "[ . 1 . 2]"
1 5 ARG 0.132 0.132 1 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.039 0.039 6 0 "[ . 1 . 2]"
1 9 ARG 19.575 2.464 5 11 "[ ** + * **- * . * **]"
1 10 ASP 1.324 0.183 17 0 "[ . 1 . 2]"
1 11 GLY 18.446 2.464 5 11 "[ ** + * **- * . * **]"
1 12 LEU 3.668 0.418 5 0 "[ . 1 . 2]"
1 13 CYS 1.601 0.292 20 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.842 0.113 6 0 "[ . 1 . 2]"
1 16 SER 0.069 0.051 18 0 "[ . 1 . 2]"
1 17 THR 4.843 0.749 10 4 "[* *. - + . 2]"
1 18 TYR 9.652 0.640 12 2 "[ . 1 + .- 2]"
1 19 LEU 5.993 0.534 9 1 "[ . +1 . 2]"
1 20 GLU 6.737 0.749 10 4 "[* *. - + . 2]"
1 21 GLU 0.606 0.248 2 0 "[ . 1 . 2]"
1 22 LEU 19.335 0.910 10 14 "[ *-.* **+ ***** ***]"
1 23 GLU 6.100 0.570 13 4 "[ -. * + . *2]"
1 24 ALA 0.049 0.024 10 0 "[ . 1 . 2]"
1 25 VAL 14.497 0.596 18 5 "[ * -1 *. + *]"
1 26 GLU 2.503 0.251 9 0 "[ . 1 . 2]"
1 27 LEU 24.450 1.789 6 13 "[ ***+**-1 **** * *]"
1 28 LYS 15.241 0.775 18 7 "[* *- * 1 * .* + 2]"
1 29 LYS 2.190 0.216 9 0 "[ . 1 . 2]"
1 30 PHE 16.794 0.910 10 14 "[ **.* **+ -**** ***]"
1 31 LYS 39.466 0.775 18 11 "[** *- * *1* **.* + 2]"
1 32 LEU 33.136 1.157 9 20 [********+***********]
1 33 TYR 198.095 3.527 15 20 [**************+*-***]
1 34 LEU 39.127 1.101 8 15 "[*** ** +*** ** *-**]"
1 35 GLY 36.939 1.608 13 20 [***-********+*******]
1 36 THR 117.426 3.527 15 20 [**************+*****]
1 37 ALA 0.425 0.096 17 0 "[ . 1 . 2]"
1 38 THR 0.577 0.210 10 0 "[ . 1 . 2]"
1 39 GLU 0.385 0.095 1 0 "[ . 1 . 2]"
1 40 LEU 45.834 2.239 4 20 [***+****************]
1 41 GLY 1.749 0.174 9 0 "[ . 1 . 2]"
1 42 GLU 0.409 0.148 12 0 "[ . 1 . 2]"
1 43 GLY 1.160 0.744 13 1 "[ . 1 + . 2]"
1 44 LYS 3.899 0.482 6 0 "[ . 1 . 2]"
1 45 ILE 27.349 1.212 20 14 "[ *** -******** *+]"
1 46 PRO 18.527 1.108 10 8 "[* *-* +* * . *]"
1 47 TRP 83.822 6.140 1 20 [+****-**************]
1 48 GLY 26.932 1.212 20 13 "[ *** ***-**** *+]"
1 49 SER 8.232 1.170 1 4 "[+ - . * . * 2]"
1 50 MET 1.482 0.548 3 1 "[ + . 1 . 2]"
1 51 GLU 68.418 6.140 1 20 [+**************-****]
1 52 LYS 0.148 0.063 4 0 "[ . 1 . 2]"
1 53 ALA 2.378 0.398 10 0 "[ . 1 . 2]"
1 54 GLY 1.078 0.123 9 0 "[ . 1 . 2]"
1 55 PRO 3.966 0.534 9 1 "[ . +1 . 2]"
1 56 LEU 0.950 0.123 9 0 "[ . 1 . 2]"
1 57 GLU 0.522 0.131 20 0 "[ . 1 . 2]"
1 58 MET 16.630 1.789 6 8 "[ *-.+** 1 * ** 2]"
1 59 ALA 2.106 0.418 5 0 "[ . 1 . 2]"
1 60 GLN 2.490 0.256 7 0 "[ . 1 . 2]"
1 61 LEU 12.496 1.170 1 6 "[+ - .* * * * 2]"
1 62 LEU 22.652 0.985 11 20 [**********+-********]
1 63 ILE 41.305 1.118 8 20 [*******+**-*********]
1 64 THR 25.419 1.118 8 20 [****-**+************]
1 65 HIS 3.534 0.240 3 0 "[ . 1 . 2]"
1 66 PHE 34.130 2.239 4 20 [***+****-***********]
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 0.408 0.039 1 0 "[ . 1 . 2]"
1 69 GLU 0.221 0.068 6 0 "[ . 1 . 2]"
1 70 GLU 0.916 0.090 18 0 "[ . 1 . 2]"
1 71 ALA 22.887 0.606 11 1 "[ . 1+ . 2]"
1 72 TRP 150.432 5.803 7 20 [******+**-**********]
1 73 ARG 11.500 0.695 6 7 "[ .+** 1- * . * *]"
1 74 LEU 34.761 1.196 19 20 [*****************-+*]
1 75 ALA 16.556 0.695 6 7 "[ .+** 1- * . * *]"
1 76 LEU 24.315 0.892 16 5 "[* - . 1 ** .+ 2]"
1 77 SER 8.232 0.280 1 0 "[ . 1 . 2]"
1 78 THR 9.492 0.593 12 9 "[ * . * 1-+**.* **2]"
1 79 PHE 5.653 1.023 6 1 "[ .+ 1 . 2]"
1 80 GLU 10.323 0.614 6 6 "[ * .+ *-* . *]"
1 81 ARG 18.954 0.901 12 14 "[** .*** *-+**.* ***]"
1 82 ILE 66.461 2.054 20 20 [****************-**+]
1 83 ASN 3.949 0.348 5 0 "[ . 1 . 2]"
1 84 ARG 10.384 0.454 3 0 "[ . 1 . 2]"
1 85 LYS 3.914 0.454 3 0 "[ . 1 . 2]"
1 86 ASP 1.320 0.619 1 1 "[+ . 1 . 2]"
1 87 LEU 19.011 1.023 6 11 "[* *.+* 1* *-** **]"
1 88 TRP 31.115 0.614 6 9 "[** .+**-* * . *]"
1 89 GLU 17.218 0.826 20 4 "[ - . * 1 * +]"
1 90 ARG 4.687 0.760 1 2 "[+ . 1 - 2]"
1 91 GLY 134.906 5.074 9 20 [*****-**+***********]
1 92 GLN 46.837 4.727 18 17 "[* - *** *********+**]"
1 93 ARG 16.976 1.916 14 11 "[ * .* *** +****-2]"
1 94 GLU 276.951 5.803 7 20 [******+**-**********]
1 95 ASP 57.704 4.727 18 17 "[* * *** *********+-*]"
1 96 LEU 6.745 0.577 1 7 "[+ *** 1- . **2]"
1 97 VAL 8.836 0.577 1 7 "[+ *** 1- . **2]"
1 98 ARG 2.672 0.471 10 0 "[ . 1 . 2]"
1 99 ASP 0.317 0.096 12 0 "[ . 1 . 2]"
1 100 THR 0.641 0.182 14 0 "[ . 1 . 2]"
1 101 VAL 0.648 0.182 14 0 "[ . 1 . 2]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU HA 1 5 ARG H 3.210 . 3.210 2.446 2.011 3.342 0.132 1 0 "[ . 1 . 2]" 1
2 1 4 LEU QD 1 5 ARG H 4.420 . 4.420 3.389 2.252 4.270 . 0 0 "[ . 1 . 2]" 1
3 1 6 THR HA 1 6 THR MG 3.470 . 3.470 2.460 2.232 3.243 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLY H 1 9 ARG H 4.340 . 4.340 3.472 2.309 4.379 0.039 6 0 "[ . 1 . 2]" 1
5 1 8 GLY QA 1 9 ARG H 3.240 . 3.240 2.354 2.057 2.846 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLY QA 1 9 ARG QB 5.340 . 5.340 3.944 3.462 4.619 . 0 0 "[ . 1 . 2]" 1
7 1 9 ARG H 1 9 ARG HB2 3.900 . 3.900 3.214 2.328 3.918 0.018 15 0 "[ . 1 . 2]" 1
8 1 9 ARG H 1 9 ARG QB 3.330 . 3.330 2.768 2.278 3.310 . 0 0 "[ . 1 . 2]" 1
9 1 9 ARG H 1 9 ARG HB3 3.900 . 3.900 3.164 2.443 3.990 0.090 5 0 "[ . 1 . 2]" 1
10 1 9 ARG H 1 9 ARG QG 4.180 . 4.180 3.582 2.023 4.437 0.257 6 0 "[ . 1 . 2]" 1
11 1 9 ARG HA 1 9 ARG QD 4.880 . 4.880 3.688 1.829 4.526 . 0 0 "[ . 1 . 2]" 1
12 1 9 ARG HA 1 9 ARG QG 3.560 . 3.560 2.708 2.408 3.519 . 0 0 "[ . 1 . 2]" 1
13 1 9 ARG QB 1 9 ARG QD 3.180 . 3.180 2.265 2.053 2.418 . 0 0 "[ . 1 . 2]" 1
14 1 9 ARG QB 1 9 ARG QG 2.310 . 2.310 2.055 1.987 2.098 . 0 0 "[ . 1 . 2]" 1
15 1 9 ARG QB 1 10 ASP H 3.950 . 3.950 3.007 1.880 3.960 0.010 8 0 "[ . 1 . 2]" 1
16 1 9 ARG QD 1 9 ARG QG 2.360 . 2.360 2.044 1.970 2.095 . 0 0 "[ . 1 . 2]" 1
17 1 9 ARG QD 1 10 ASP HA 5.340 . 5.340 4.897 2.537 5.461 0.121 8 0 "[ . 1 . 2]" 1
18 1 9 ARG QD 1 11 GLY QA 5.180 . 5.180 5.768 3.256 7.644 2.464 5 11 "[ ** + * **- * . * **]" 1
19 1 10 ASP H 1 10 ASP QB 3.570 . 3.570 2.568 2.018 3.329 . 0 0 "[ . 1 . 2]" 1
20 1 10 ASP HA 1 10 ASP QB 2.640 . 2.640 2.359 2.187 2.488 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASP HA 1 12 LEU H 5.500 . 5.500 4.042 2.943 5.120 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASP HA 1 13 CYS QB 4.670 . 4.670 3.821 2.474 4.853 0.183 17 0 "[ . 1 . 2]" 1
23 1 10 ASP QB 1 11 GLY H 4.220 . 4.220 3.023 1.895 3.886 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLY H 1 12 LEU H 3.820 . 3.820 2.960 2.109 3.897 0.077 1 0 "[ . 1 . 2]" 1
25 1 11 GLY QA 1 12 LEU HA 4.470 . 4.470 3.988 3.879 4.061 . 0 0 "[ . 1 . 2]" 1
26 1 11 GLY QA 1 63 ILE MD 5.340 . 5.340 4.732 3.796 5.319 . 0 0 "[ . 1 . 2]" 1
27 1 12 LEU H 1 12 LEU HB2 3.390 . 3.390 2.556 2.160 3.343 . 0 0 "[ . 1 . 2]" 1
28 1 12 LEU H 1 12 LEU QB 2.960 . 2.960 2.284 2.078 2.719 . 0 0 "[ . 1 . 2]" 1
29 1 12 LEU H 1 12 LEU HB3 3.390 . 3.390 2.677 2.460 3.426 0.036 17 0 "[ . 1 . 2]" 1
30 1 12 LEU H 1 12 LEU MD1 5.100 . 5.100 4.243 4.074 4.442 . 0 0 "[ . 1 . 2]" 1
31 1 12 LEU H 1 12 LEU QD 4.330 . 4.330 3.775 3.614 4.066 . 0 0 "[ . 1 . 2]" 1
32 1 12 LEU H 1 12 LEU MD2 5.100 . 5.100 4.254 3.861 4.714 . 0 0 "[ . 1 . 2]" 1
33 1 12 LEU H 1 13 CYS H 3.990 . 3.990 2.686 2.006 4.093 0.103 17 0 "[ . 1 . 2]" 1
34 1 12 LEU H 1 14 ARG H 5.500 . 5.500 4.007 3.058 4.812 . 0 0 "[ . 1 . 2]" 1
35 1 12 LEU H 1 63 ILE MD 5.500 . 5.500 4.859 3.844 5.531 0.031 8 0 "[ . 1 . 2]" 1
36 1 12 LEU HA 1 12 LEU QD 3.320 . 3.320 2.236 1.957 2.833 . 0 0 "[ . 1 . 2]" 1
37 1 12 LEU HA 1 63 ILE MG 5.500 . 5.500 4.640 4.127 5.131 . 0 0 "[ . 1 . 2]" 1
38 1 12 LEU QB 1 12 LEU QD 2.610 . 2.610 2.000 1.936 2.099 . 0 0 "[ . 1 . 2]" 1
39 1 12 LEU QB 1 13 CYS HA 5.000 . 5.000 4.032 3.702 4.901 . 0 0 "[ . 1 . 2]" 1
40 1 12 LEU QB 1 13 CYS QB 4.280 . 4.280 3.956 3.236 4.321 0.041 18 0 "[ . 1 . 2]" 1
41 1 12 LEU QB 1 60 GLN QG 5.340 . 5.340 5.022 4.605 5.596 0.256 7 0 "[ . 1 . 2]" 1
42 1 12 LEU QB 1 63 ILE HG13 5.340 . 5.340 2.500 2.027 3.932 . 0 0 "[ . 1 . 2]" 1
43 1 12 LEU QB 1 63 ILE MG 5.340 . 5.340 3.658 2.960 4.673 . 0 0 "[ . 1 . 2]" 1
44 1 12 LEU HB2 1 13 CYS H 3.930 . 3.930 3.670 3.427 4.222 0.292 20 0 "[ . 1 . 2]" 1
45 1 12 LEU HB3 1 13 CYS H 3.930 . 3.930 2.453 1.934 4.122 0.192 20 0 "[ . 1 . 2]" 1
46 1 12 LEU QD 1 13 CYS H 4.330 . 4.330 3.421 2.573 3.972 . 0 0 "[ . 1 . 2]" 1
47 1 12 LEU QD 1 13 CYS HA 4.210 . 4.210 3.553 2.666 4.159 . 0 0 "[ . 1 . 2]" 1
48 1 12 LEU QD 1 13 CYS QB 4.960 . 4.960 4.182 3.372 4.666 . 0 0 "[ . 1 . 2]" 1
49 1 12 LEU QD 1 59 ALA H 4.760 . 4.760 4.683 4.337 5.178 0.418 5 0 "[ . 1 . 2]" 1
50 1 12 LEU QD 1 59 ALA MB 2.960 . 2.960 2.182 1.967 2.572 . 0 0 "[ . 1 . 2]" 1
51 1 12 LEU QD 1 60 GLN H 3.680 . 3.680 3.514 3.040 3.925 0.245 1 0 "[ . 1 . 2]" 1
52 1 12 LEU QD 1 60 GLN HA 3.060 . 3.060 2.558 2.127 3.036 . 0 0 "[ . 1 . 2]" 1
53 1 12 LEU QD 1 60 GLN QB 4.010 . 4.010 3.554 3.238 3.709 . 0 0 "[ . 1 . 2]" 1
54 1 12 LEU QD 1 60 GLN QG 3.250 . 3.250 2.194 1.860 2.537 . 0 0 "[ . 1 . 2]" 1
55 1 12 LEU MD1 1 13 CYS H 4.990 . 4.990 3.932 3.093 4.583 . 0 0 "[ . 1 . 2]" 1
56 1 12 LEU MD1 1 60 GLN QG . . 3.840 2.635 2.065 3.482 . 0 0 "[ . 1 . 2]" 1
57 1 12 LEU MD2 1 13 CYS H 4.990 . 4.990 4.091 2.620 5.089 0.099 20 0 "[ . 1 . 2]" 1
58 1 12 LEU MD2 1 60 GLN QG . . 3.840 2.672 1.945 3.696 . 0 0 "[ . 1 . 2]" 1
59 1 13 CYS H 1 13 CYS QB 3.310 . 3.310 2.406 2.174 2.995 . 0 0 "[ . 1 . 2]" 1
60 1 13 CYS H 1 14 ARG H 5.500 . 5.500 2.780 2.543 3.787 . 0 0 "[ . 1 . 2]" 1
61 1 13 CYS HA 1 15 LEU H 5.500 . 5.500 4.422 4.012 4.697 . 0 0 "[ . 1 . 2]" 1
62 1 13 CYS HA 1 16 SER H 3.920 . 3.920 3.727 3.351 3.971 0.051 18 0 "[ . 1 . 2]" 1
63 1 13 CYS HA 1 59 ALA MB 5.500 . 5.500 5.104 4.474 5.515 0.015 1 0 "[ . 1 . 2]" 1
64 1 13 CYS QB 1 14 ARG H 3.620 . 3.620 2.513 2.003 3.414 . 0 0 "[ . 1 . 2]" 1
65 1 14 ARG H 1 14 ARG HB2 3.730 . 3.730 2.596 2.199 3.694 . 0 0 "[ . 1 . 2]" 1
66 1 14 ARG H 1 14 ARG QB 3.140 . 3.140 2.252 2.090 2.620 . 0 0 "[ . 1 . 2]" 1
67 1 14 ARG H 1 14 ARG HB3 3.730 . 3.730 2.575 2.348 3.622 . 0 0 "[ . 1 . 2]" 1
68 1 14 ARG H 1 15 LEU H 4.000 . 4.000 2.502 2.027 2.800 . 0 0 "[ . 1 . 2]" 1
69 1 14 ARG HA 1 17 THR HB 5.500 . 5.500 2.794 2.266 3.275 . 0 0 "[ . 1 . 2]" 1
70 1 14 ARG HA 1 18 TYR QD 5.300 . 5.300 3.756 3.060 4.962 . 0 0 "[ . 1 . 2]" 1
71 1 14 ARG QB 1 15 LEU H 3.800 . 3.800 2.642 2.181 3.609 . 0 0 "[ . 1 . 2]" 1
72 1 14 ARG QG 1 72 TRP HZ3 5.240 . 5.240 3.918 3.280 4.779 . 0 0 "[ . 1 . 2]" 1
73 1 15 LEU H 1 15 LEU QB 3.280 . 3.280 2.154 2.054 2.418 . 0 0 "[ . 1 . 2]" 1
74 1 15 LEU H 1 15 LEU MD1 5.000 . 5.000 3.958 3.599 4.069 . 0 0 "[ . 1 . 2]" 1
75 1 15 LEU H 1 15 LEU QD 4.220 . 4.220 3.511 2.896 3.673 . 0 0 "[ . 1 . 2]" 1
76 1 15 LEU H 1 15 LEU MD2 5.000 . 5.000 3.947 3.029 4.193 . 0 0 "[ . 1 . 2]" 1
77 1 15 LEU H 1 15 LEU HG 5.500 . 5.500 4.089 2.235 4.476 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU H 1 16 SER H 3.410 . 3.410 2.772 2.439 2.887 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU H 1 17 THR HB 5.500 . 5.500 5.112 4.783 5.513 0.013 9 0 "[ . 1 . 2]" 1
80 1 15 LEU H 1 18 TYR QD 5.500 . 5.500 4.846 4.503 5.388 . 0 0 "[ . 1 . 2]" 1
81 1 15 LEU H 1 72 TRP HE3 5.500 . 5.500 4.416 3.958 5.010 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU HA 1 15 LEU MD1 4.080 . 4.080 2.468 2.040 3.889 . 0 0 "[ . 1 . 2]" 1
83 1 15 LEU HA 1 15 LEU QD 3.080 . 3.080 2.129 2.033 2.679 . 0 0 "[ . 1 . 2]" 1
84 1 15 LEU HA 1 15 LEU MD2 4.080 . 4.080 3.533 2.046 3.908 . 0 0 "[ . 1 . 2]" 1
85 1 15 LEU HA 1 18 TYR H 4.230 . 4.230 3.742 3.496 3.919 . 0 0 "[ . 1 . 2]" 1
86 1 15 LEU HA 1 18 TYR QB 4.000 . 4.000 3.372 3.007 3.713 . 0 0 "[ . 1 . 2]" 1
87 1 15 LEU HA 1 18 TYR QD 4.130 . 4.130 3.862 3.377 4.219 0.089 17 0 "[ . 1 . 2]" 1
88 1 15 LEU HA 1 59 ALA MB 5.500 . 5.500 4.554 4.091 5.032 . 0 0 "[ . 1 . 2]" 1
89 1 15 LEU HA 1 72 TRP HE3 4.310 . 4.310 2.756 2.404 3.746 . 0 0 "[ . 1 . 2]" 1
90 1 15 LEU HA 1 72 TRP HZ3 3.900 . 3.900 2.991 2.211 3.297 . 0 0 "[ . 1 . 2]" 1
91 1 15 LEU QB 1 16 SER H 3.620 . 3.620 2.293 2.179 2.529 . 0 0 "[ . 1 . 2]" 1
92 1 15 LEU QB 1 59 ALA HA 5.500 . 5.500 3.721 2.378 4.222 . 0 0 "[ . 1 . 2]" 1
93 1 15 LEU QB 1 59 ALA MB 3.450 . 3.450 2.587 1.946 3.262 . 0 0 "[ . 1 . 2]" 1
94 1 15 LEU QB 1 72 TRP HE3 4.590 . 4.590 3.383 2.835 4.668 0.078 10 0 "[ . 1 . 2]" 1
95 1 15 LEU QB 1 72 TRP HZ3 4.990 . 4.990 4.733 4.158 5.034 0.044 4 0 "[ . 1 . 2]" 1
96 1 15 LEU QB 1 75 ALA MB 5.500 . 5.500 4.226 3.904 4.468 . 0 0 "[ . 1 . 2]" 1
97 1 15 LEU QD 1 19 LEU QD 3.350 . 3.350 2.230 1.926 3.027 . 0 0 "[ . 1 . 2]" 1
98 1 15 LEU QD 1 19 LEU HG 4.860 . 4.860 2.767 2.397 3.898 . 0 0 "[ . 1 . 2]" 1
99 1 15 LEU QD 1 59 ALA H 4.820 . 4.820 4.171 3.400 4.314 . 0 0 "[ . 1 . 2]" 1
100 1 15 LEU QD 1 59 ALA HA 3.940 . 3.940 2.078 1.916 2.220 . 0 0 "[ . 1 . 2]" 1
101 1 15 LEU QD 1 59 ALA MB 4.340 . 4.340 2.265 1.792 2.567 0.008 6 0 "[ . 1 . 2]" 1
102 1 15 LEU QD 1 71 ALA HA 4.810 . 4.810 3.626 3.502 3.874 . 0 0 "[ . 1 . 2]" 1
103 1 15 LEU QD 1 71 ALA MB 3.220 . 3.220 1.936 1.821 2.160 . 0 0 "[ . 1 . 2]" 1
104 1 15 LEU QD 1 72 TRP H 5.440 . 5.440 3.251 2.922 3.436 . 0 0 "[ . 1 . 2]" 1
105 1 15 LEU QD 1 72 TRP HA 3.710 . 3.710 1.987 1.886 2.614 . 0 0 "[ . 1 . 2]" 1
106 1 15 LEU QD 1 72 TRP HE3 3.910 . 3.910 2.209 1.819 3.209 . 0 0 "[ . 1 . 2]" 1
107 1 15 LEU QD 1 72 TRP HZ3 4.770 . 4.770 3.254 2.750 3.906 . 0 0 "[ . 1 . 2]" 1
108 1 15 LEU QD 1 75 ALA H 5.440 . 5.440 3.420 3.280 3.825 . 0 0 "[ . 1 . 2]" 1
109 1 15 LEU QD 1 75 ALA HA 5.290 . 5.290 4.055 3.887 4.575 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU QD 1 75 ALA MB 5.440 . 5.440 1.945 1.862 2.343 . 0 0 "[ . 1 . 2]" 1
111 1 15 LEU QD 1 76 LEU QB 5.440 . 5.440 4.951 4.633 5.217 . 0 0 "[ . 1 . 2]" 1
112 1 15 LEU QD 1 79 PHE HZ 5.500 . 5.500 3.852 3.373 4.678 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU MD1 1 16 SER H 5.500 . 5.500 4.314 4.174 4.456 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU MD1 1 72 TRP HA 4.420 . 4.420 2.264 1.897 3.964 . 0 0 "[ . 1 . 2]" 1
115 1 15 LEU MD2 1 16 SER H 5.500 . 5.500 4.087 3.446 4.593 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU MD2 1 72 TRP HA 4.420 . 4.420 3.195 1.923 3.896 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU HG 1 16 SER H 5.260 . 5.260 3.701 3.329 4.822 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HG 1 19 LEU QD 5.440 . 5.440 2.692 2.091 4.999 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU HG 1 59 ALA HA 4.400 . 4.400 2.849 2.335 4.395 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU HG 1 59 ALA MB 3.870 . 3.870 2.678 2.186 3.983 0.113 6 0 "[ . 1 . 2]" 1
121 1 15 LEU HG 1 71 ALA MB 5.500 . 5.500 4.247 3.698 4.625 . 0 0 "[ . 1 . 2]" 1
122 1 16 SER H 1 17 THR H 3.750 . 3.750 2.722 2.553 3.241 . 0 0 "[ . 1 . 2]" 1
123 1 16 SER H 1 59 ALA MB 4.160 . 4.160 3.021 2.787 3.203 . 0 0 "[ . 1 . 2]" 1
124 1 17 THR H 1 17 THR HB 3.210 . 3.210 2.543 2.421 2.855 . 0 0 "[ . 1 . 2]" 1
125 1 17 THR H 1 17 THR MG 4.030 . 4.030 3.746 3.695 3.933 . 0 0 "[ . 1 . 2]" 1
126 1 17 THR HA 1 17 THR MG 3.040 . 3.040 2.391 2.328 2.433 . 0 0 "[ . 1 . 2]" 1
127 1 17 THR HA 1 20 GLU H 3.980 . 3.980 3.822 3.580 4.140 0.160 10 0 "[ . 1 . 2]" 1
128 1 17 THR HA 1 20 GLU QB 3.800 . 3.800 3.415 2.871 3.873 0.073 17 0 "[ . 1 . 2]" 1
129 1 17 THR HA 1 20 GLU QG 4.160 . 4.160 2.921 1.992 3.694 . 0 0 "[ . 1 . 2]" 1
130 1 17 THR HB 1 18 TYR H 3.670 . 3.670 2.685 2.208 3.061 . 0 0 "[ . 1 . 2]" 1
131 1 17 THR HB 1 18 TYR QD 4.200 . 4.200 3.147 2.347 4.203 0.003 9 0 "[ . 1 . 2]" 1
132 1 17 THR MG 1 18 TYR H 4.490 . 4.490 3.569 3.210 3.884 . 0 0 "[ . 1 . 2]" 1
133 1 17 THR MG 1 18 TYR HA 4.270 . 4.270 3.609 3.332 3.949 . 0 0 "[ . 1 . 2]" 1
134 1 17 THR MG 1 18 TYR QB 5.270 . 5.270 4.664 4.335 4.993 . 0 0 "[ . 1 . 2]" 1
135 1 17 THR MG 1 18 TYR QD 4.380 . 4.380 3.787 3.076 4.381 0.001 13 0 "[ . 1 . 2]" 1
136 1 17 THR MG 1 18 TYR QE 5.140 . 5.140 4.033 3.352 4.738 . 0 0 "[ . 1 . 2]" 1
137 1 17 THR MG 1 19 LEU H 5.500 . 5.500 5.205 5.015 5.482 . 0 0 "[ . 1 . 2]" 1
138 1 17 THR MG 1 20 GLU H 5.500 . 5.500 4.927 4.650 5.244 . 0 0 "[ . 1 . 2]" 1
139 1 17 THR MG 1 20 GLU QB 5.340 . 5.340 4.324 3.766 5.090 . 0 0 "[ . 1 . 2]" 1
140 1 17 THR MG 1 20 GLU QG 4.370 . 4.370 4.318 3.408 5.119 0.749 10 4 "[* *. - + . 2]" 1
141 1 17 THR MG 1 21 GLU QG 5.500 . 5.500 4.035 3.258 4.840 . 0 0 "[ . 1 . 2]" 1
142 1 18 TYR H 1 18 TYR HB2 3.940 . 3.940 2.379 2.306 2.458 . 0 0 "[ . 1 . 2]" 1
143 1 18 TYR H 1 18 TYR QB 3.250 . 3.250 2.348 2.279 2.422 . 0 0 "[ . 1 . 2]" 1
144 1 18 TYR H 1 18 TYR HB3 3.940 . 3.940 3.616 3.571 3.658 . 0 0 "[ . 1 . 2]" 1
145 1 18 TYR H 1 18 TYR QD 3.630 . 3.630 2.596 2.101 3.404 . 0 0 "[ . 1 . 2]" 1
146 1 18 TYR H 1 18 TYR QE 5.500 . 5.500 4.662 4.374 4.947 . 0 0 "[ . 1 . 2]" 1
147 1 18 TYR HA 1 18 TYR QD 3.600 . 3.600 2.820 2.088 3.130 . 0 0 "[ . 1 . 2]" 1
148 1 18 TYR HA 1 20 GLU H 4.550 . 4.550 3.894 3.717 4.187 . 0 0 "[ . 1 . 2]" 1
149 1 18 TYR HA 1 20 GLU QB 5.340 . 5.340 4.838 4.014 5.839 0.499 17 0 "[ . 1 . 2]" 1
150 1 18 TYR HA 1 21 GLU QB 5.340 . 5.340 3.428 2.870 4.256 . 0 0 "[ . 1 . 2]" 1
151 1 18 TYR HA 1 21 GLU QG 3.530 . 3.530 3.013 2.176 3.778 0.248 2 0 "[ . 1 . 2]" 1
152 1 18 TYR HA 1 79 PHE HZ 5.370 . 5.370 4.828 4.520 5.155 . 0 0 "[ . 1 . 2]" 1
153 1 18 TYR HA 1 87 LEU MD1 4.890 . 4.890 3.252 2.320 4.562 . 0 0 "[ . 1 . 2]" 1
154 1 18 TYR HA 1 87 LEU QD 3.950 . 3.950 2.845 2.222 3.501 . 0 0 "[ . 1 . 2]" 1
155 1 18 TYR HA 1 87 LEU MD2 4.890 . 4.890 3.316 2.227 4.029 . 0 0 "[ . 1 . 2]" 1
156 1 18 TYR QB 1 19 LEU H 3.960 . 3.960 2.837 2.570 2.992 . 0 0 "[ . 1 . 2]" 1
157 1 18 TYR QB 1 19 LEU HA 4.770 . 4.770 3.927 3.789 4.111 . 0 0 "[ . 1 . 2]" 1
158 1 18 TYR QB 1 72 TRP HZ3 4.770 . 4.770 2.485 2.190 3.077 . 0 0 "[ . 1 . 2]" 1
159 1 18 TYR QB 1 79 PHE QE 3.760 . 3.760 2.455 2.219 2.727 . 0 0 "[ . 1 . 2]" 1
160 1 18 TYR QB 1 79 PHE HZ 3.570 . 3.570 2.477 2.204 2.862 . 0 0 "[ . 1 . 2]" 1
161 1 18 TYR QB 1 87 LEU QD 5.280 . 5.280 2.581 2.001 3.331 . 0 0 "[ . 1 . 2]" 1
162 1 18 TYR HB2 1 19 LEU H 4.580 . 4.580 2.953 2.641 3.122 . 0 0 "[ . 1 . 2]" 1
163 1 18 TYR HB2 1 79 PHE QE 4.590 . 4.590 3.186 2.370 3.403 . 0 0 "[ . 1 . 2]" 1
164 1 18 TYR HB2 1 79 PHE HZ 4.340 . 4.340 2.974 2.757 3.201 . 0 0 "[ . 1 . 2]" 1
165 1 18 TYR HB3 1 19 LEU H 4.580 . 4.580 3.678 3.385 3.901 . 0 0 "[ . 1 . 2]" 1
166 1 18 TYR HB3 1 79 PHE QE 4.590 . 4.590 2.570 2.284 2.932 . 0 0 "[ . 1 . 2]" 1
167 1 18 TYR HB3 1 79 PHE HZ 4.340 . 4.340 2.679 2.305 3.509 . 0 0 "[ . 1 . 2]" 1
168 1 18 TYR QD 1 19 LEU H 5.090 . 5.090 4.444 4.070 4.666 . 0 0 "[ . 1 . 2]" 1
169 1 18 TYR QD 1 72 TRP HH2 4.490 . 4.490 2.921 1.996 3.513 . 0 0 "[ . 1 . 2]" 1
170 1 18 TYR QD 1 79 PHE QD 5.500 . 5.500 4.530 3.378 5.423 . 0 0 "[ . 1 . 2]" 1
171 1 18 TYR QD 1 79 PHE HZ 5.500 . 5.500 4.405 4.032 4.814 . 0 0 "[ . 1 . 2]" 1
172 1 18 TYR QD 1 87 LEU HA 5.500 . 5.500 3.899 3.290 4.392 . 0 0 "[ . 1 . 2]" 1
173 1 18 TYR QD 1 87 LEU HB2 4.720 . 4.720 4.369 3.616 4.739 0.019 17 0 "[ . 1 . 2]" 1
174 1 18 TYR QD 1 87 LEU QB 3.840 . 3.840 3.096 1.955 3.953 0.113 11 0 "[ . 1 . 2]" 1
175 1 18 TYR QD 1 87 LEU HB3 4.720 . 4.720 3.241 1.963 4.362 . 0 0 "[ . 1 . 2]" 1
176 1 18 TYR QD 1 87 LEU MD1 4.230 . 4.230 2.752 1.900 3.671 . 0 0 "[ . 1 . 2]" 1
177 1 18 TYR QD 1 87 LEU QD 3.460 . 3.460 2.159 1.851 2.595 . 0 0 "[ . 1 . 2]" 1
178 1 18 TYR QD 1 87 LEU MD2 4.230 . 4.230 2.515 1.979 3.304 . 0 0 "[ . 1 . 2]" 1
179 1 18 TYR QE 1 72 TRP HH2 4.260 . 4.260 3.293 2.150 3.783 . 0 0 "[ . 1 . 2]" 1
180 1 18 TYR QE 1 72 TRP HZ3 4.790 . 4.790 4.677 3.978 4.862 0.072 7 0 "[ . 1 . 2]" 1
181 1 18 TYR QE 1 76 LEU QB 5.500 . 5.500 5.620 4.804 6.140 0.640 12 2 "[ . 1 + .- 2]" 1
182 1 18 TYR QE 1 87 LEU HA 5.350 . 5.350 3.918 2.838 4.630 . 0 0 "[ . 1 . 2]" 1
183 1 18 TYR QE 1 87 LEU MD1 4.950 . 4.950 4.103 2.502 5.266 0.316 2 0 "[ . 1 . 2]" 1
184 1 18 TYR QE 1 87 LEU QD 3.980 . 3.980 3.120 2.413 3.712 . 0 0 "[ . 1 . 2]" 1
185 1 18 TYR QE 1 87 LEU MD2 4.950 . 4.950 3.861 2.426 5.164 0.214 11 0 "[ . 1 . 2]" 1
186 1 18 TYR QE 1 90 ARG HB2 4.380 . 4.380 2.335 1.829 3.323 . 0 0 "[ . 1 . 2]" 1
187 1 18 TYR QE 1 90 ARG HB3 3.990 . 3.990 2.531 2.041 3.486 . 0 0 "[ . 1 . 2]" 1
188 1 18 TYR QE 1 90 ARG QG 4.710 . 4.710 3.684 2.534 4.348 . 0 0 "[ . 1 . 2]" 1
189 1 18 TYR QE 1 91 GLY QA . . 4.110 3.233 2.335 4.042 . 0 0 "[ . 1 . 2]" 1
190 1 19 LEU H 1 19 LEU HB2 4.120 . 4.120 2.412 2.359 2.459 . 0 0 "[ . 1 . 2]" 1
191 1 19 LEU H 1 19 LEU QB 3.620 . 3.620 2.377 2.328 2.420 . 0 0 "[ . 1 . 2]" 1
192 1 19 LEU H 1 19 LEU HB3 4.120 . 4.120 3.598 3.562 3.627 . 0 0 "[ . 1 . 2]" 1
193 1 19 LEU H 1 19 LEU MD1 4.340 . 4.340 3.675 3.591 3.765 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU H 1 19 LEU QD 3.790 . 3.790 3.230 3.182 3.280 . 0 0 "[ . 1 . 2]" 1
195 1 19 LEU H 1 19 LEU MD2 4.340 . 4.340 3.584 3.483 3.718 . 0 0 "[ . 1 . 2]" 1
196 1 19 LEU H 1 19 LEU HG 3.990 . 3.990 2.574 2.487 2.673 . 0 0 "[ . 1 . 2]" 1
197 1 19 LEU H 1 21 GLU H 5.350 . 5.350 4.128 3.876 4.432 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU HA 1 19 LEU QD 3.000 . 3.000 2.010 1.960 2.059 . 0 0 "[ . 1 . 2]" 1
199 1 19 LEU HA 1 19 LEU HG 3.630 . 3.630 3.020 2.902 3.115 . 0 0 "[ . 1 . 2]" 1
200 1 19 LEU HA 1 21 GLU H 4.080 . 4.080 3.585 3.402 3.822 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU HA 1 22 LEU H 4.170 . 4.170 3.571 3.294 4.080 . 0 0 "[ . 1 . 2]" 1
202 1 19 LEU HA 1 22 LEU QD 3.810 . 3.810 2.705 1.892 3.031 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU HA 1 27 LEU QD 5.180 . 5.180 3.354 3.070 3.768 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU HA 1 79 PHE QE 5.500 . 5.500 3.490 2.918 3.840 . 0 0 "[ . 1 . 2]" 1
205 1 19 LEU HA 1 79 PHE HZ 4.710 . 4.710 3.517 3.122 3.715 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU QB 1 19 LEU QD 2.810 . 2.810 1.944 1.915 1.957 . 0 0 "[ . 1 . 2]" 1
207 1 19 LEU QB 1 27 LEU QD 5.280 . 5.280 2.588 2.311 2.814 . 0 0 "[ . 1 . 2]" 1
208 1 19 LEU QB 1 55 PRO HB2 4.250 . 4.250 3.534 2.875 4.077 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU QB 1 55 PRO HB3 3.970 . 3.970 2.664 1.993 3.145 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU QB 1 75 ALA MB 5.340 . 5.340 4.693 4.454 4.975 . 0 0 "[ . 1 . 2]" 1
211 1 19 LEU HB2 1 55 PRO HA 3.980 . 3.980 3.297 2.914 3.850 . 0 0 "[ . 1 . 2]" 1
212 1 19 LEU HB3 1 55 PRO HA 3.980 . 3.980 2.597 2.353 2.947 . 0 0 "[ . 1 . 2]" 1
213 1 19 LEU QD 1 20 GLU H 5.440 . 5.440 4.344 4.190 4.431 . 0 0 "[ . 1 . 2]" 1
214 1 19 LEU QD 1 22 LEU QD 3.120 . 3.120 2.097 1.937 2.276 . 0 0 "[ . 1 . 2]" 1
215 1 19 LEU QD 1 27 LEU QD 3.590 . 3.590 2.480 2.155 2.861 . 0 0 "[ . 1 . 2]" 1
216 1 19 LEU QD 1 30 PHE QE 3.870 . 3.870 2.579 2.380 2.700 . 0 0 "[ . 1 . 2]" 1
217 1 19 LEU QD 1 34 LEU MD2 5.440 . 5.440 4.231 3.933 4.588 . 0 0 "[ . 1 . 2]" 1
218 1 19 LEU QD 1 55 PRO HA 4.020 . 4.020 3.161 2.469 3.576 . 0 0 "[ . 1 . 2]" 1
219 1 19 LEU QD 1 55 PRO HB2 4.590 . 4.590 4.615 3.983 5.124 0.534 9 1 "[ . +1 . 2]" 1
220 1 19 LEU QD 1 58 MET HB2 3.300 . 3.300 2.444 2.104 2.887 . 0 0 "[ . 1 . 2]" 1
221 1 19 LEU QD 1 58 MET HB3 4.120 . 4.120 2.459 2.156 2.852 . 0 0 "[ . 1 . 2]" 1
222 1 19 LEU QD 1 58 MET QG 4.770 . 4.770 3.533 3.098 4.042 . 0 0 "[ . 1 . 2]" 1
223 1 19 LEU QD 1 59 ALA H 4.530 . 4.530 2.946 2.705 3.176 . 0 0 "[ . 1 . 2]" 1
224 1 19 LEU QD 1 59 ALA HA 3.710 . 3.710 2.685 2.423 2.995 . 0 0 "[ . 1 . 2]" 1
225 1 19 LEU QD 1 59 ALA MB 3.350 . 3.350 2.428 2.055 2.797 . 0 0 "[ . 1 . 2]" 1
226 1 19 LEU QD 1 62 LEU QD 4.590 . 4.590 2.594 2.203 2.927 . 0 0 "[ . 1 . 2]" 1
227 1 19 LEU QD 1 75 ALA MB 3.770 . 3.770 2.249 1.962 2.682 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU QD 1 79 PHE HA 5.440 . 5.440 5.522 5.463 5.580 0.140 12 0 "[ . 1 . 2]" 1
229 1 19 LEU QD 1 79 PHE QD 4.810 . 4.810 3.854 3.807 3.895 . 0 0 "[ . 1 . 2]" 1
230 1 19 LEU QD 1 79 PHE QE 3.460 . 3.460 1.937 1.882 2.018 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU QD 1 79 PHE HZ 3.550 . 3.550 2.497 2.258 2.842 . 0 0 "[ . 1 . 2]" 1
232 1 19 LEU MD1 1 30 PHE QE 4.690 . 4.690 3.065 2.549 3.490 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU MD1 1 55 PRO HA 5.500 . 5.500 3.279 2.507 3.778 . 0 0 "[ . 1 . 2]" 1
234 1 19 LEU MD1 1 58 MET HB2 4.340 . 4.340 2.464 2.114 2.925 . 0 0 "[ . 1 . 2]" 1
235 1 19 LEU MD1 1 58 MET QG 5.500 . 5.500 3.718 3.213 4.288 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU MD1 1 79 PHE HZ 4.600 . 4.600 4.298 3.882 4.620 0.020 13 0 "[ . 1 . 2]" 1
237 1 19 LEU MD2 1 30 PHE QE 4.690 . 4.690 2.799 2.589 2.944 . 0 0 "[ . 1 . 2]" 1
238 1 19 LEU MD2 1 55 PRO HA 5.500 . 5.500 4.196 3.717 4.530 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU MD2 1 58 MET HB2 4.340 . 4.340 4.131 3.757 4.441 0.101 1 0 "[ . 1 . 2]" 1
240 1 19 LEU MD2 1 58 MET QG 5.500 . 5.500 4.431 3.760 4.971 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU MD2 1 79 PHE HZ 4.600 . 4.600 2.515 2.267 2.875 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU HG 1 75 ALA HA 5.500 . 5.500 5.549 5.505 5.617 0.117 11 0 "[ . 1 . 2]" 1
243 1 19 LEU HG 1 75 ALA MB 5.500 . 5.500 3.192 3.042 3.372 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU HG 1 79 PHE QE 5.170 . 5.170 3.877 3.605 4.074 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU HG 1 79 PHE HZ 4.680 . 4.680 2.995 2.443 3.315 . 0 0 "[ . 1 . 2]" 1
246 1 20 GLU H 1 20 GLU HB2 3.710 . 3.710 2.750 2.165 3.669 . 0 0 "[ . 1 . 2]" 1
247 1 20 GLU H 1 20 GLU HB3 3.710 . 3.710 3.366 2.546 3.694 . 0 0 "[ . 1 . 2]" 1
248 1 20 GLU H 1 20 GLU QG 3.540 . 3.540 2.355 2.027 3.066 . 0 0 "[ . 1 . 2]" 1
249 1 20 GLU H 1 21 GLU H 3.300 . 3.300 2.560 2.262 2.846 . 0 0 "[ . 1 . 2]" 1
250 1 20 GLU H 1 22 LEU H 4.650 . 4.650 4.125 3.831 4.431 . 0 0 "[ . 1 . 2]" 1
251 1 20 GLU H 1 22 LEU QD 5.440 . 5.440 5.175 4.234 5.468 0.028 10 0 "[ . 1 . 2]" 1
252 1 20 GLU HA 1 20 GLU HG2 4.160 . 4.160 2.919 2.442 3.796 . 0 0 "[ . 1 . 2]" 1
253 1 20 GLU HA 1 20 GLU QG 3.370 . 3.370 2.732 2.352 3.320 . 0 0 "[ . 1 . 2]" 1
254 1 20 GLU HA 1 20 GLU HG3 4.160 . 4.160 3.411 2.997 3.865 . 0 0 "[ . 1 . 2]" 1
255 1 20 GLU HA 1 22 LEU H 4.530 . 4.530 3.537 3.365 3.778 . 0 0 "[ . 1 . 2]" 1
256 1 20 GLU HA 1 55 PRO HB2 4.200 . 4.200 3.294 2.590 4.103 . 0 0 "[ . 1 . 2]" 1
257 1 20 GLU HA 1 55 PRO HB3 3.450 . 3.450 2.542 1.971 3.183 . 0 0 "[ . 1 . 2]" 1
258 1 20 GLU HA 1 55 PRO HG2 3.800 . 3.800 3.135 2.232 3.823 0.023 11 0 "[ . 1 . 2]" 1
259 1 20 GLU HA 1 55 PRO HG3 3.800 . 3.800 2.609 2.178 3.359 . 0 0 "[ . 1 . 2]" 1
260 1 20 GLU QB 1 22 LEU H 5.340 . 5.340 4.539 4.347 4.778 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLU H 1 21 GLU QB 2.750 . 2.750 2.391 2.315 2.462 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLU H 1 21 GLU QG 3.310 . 3.310 2.534 2.277 2.911 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLU H 1 22 LEU H 3.010 . 3.010 2.462 2.222 2.725 . 0 0 "[ . 1 . 2]" 1
264 1 21 GLU H 1 22 LEU HA 5.500 . 5.500 4.956 4.822 5.067 . 0 0 "[ . 1 . 2]" 1
265 1 21 GLU H 1 87 LEU QD 4.960 . 4.960 3.559 3.189 3.801 . 0 0 "[ . 1 . 2]" 1
266 1 21 GLU HA 1 21 GLU QG 3.220 . 3.220 2.764 2.295 3.022 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLU QB 1 22 LEU QD 4.850 . 4.850 3.433 2.479 3.844 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLU QB 1 87 LEU QD 3.160 . 3.160 1.994 1.796 2.357 0.004 2 0 "[ . 1 . 2]" 1
269 1 21 GLU HB2 1 87 LEU MD1 4.220 . 4.220 2.425 1.994 3.538 . 0 0 "[ . 1 . 2]" 1
270 1 21 GLU HB2 1 87 LEU MD2 4.220 . 4.220 2.601 1.842 3.503 . 0 0 "[ . 1 . 2]" 1
271 1 21 GLU HB3 1 87 LEU MD1 4.220 . 4.220 2.835 2.208 4.224 0.004 20 0 "[ . 1 . 2]" 1
272 1 21 GLU HB3 1 87 LEU MD2 4.220 . 4.220 3.015 2.387 3.506 . 0 0 "[ . 1 . 2]" 1
273 1 22 LEU H 1 22 LEU HB2 3.420 . 3.420 2.524 2.387 2.656 . 0 0 "[ . 1 . 2]" 1
274 1 22 LEU H 1 22 LEU HB3 3.890 . 3.890 3.660 3.578 3.743 . 0 0 "[ . 1 . 2]" 1
275 1 22 LEU H 1 22 LEU MD1 4.420 . 4.420 3.903 2.306 4.210 . 0 0 "[ . 1 . 2]" 1
276 1 22 LEU H 1 22 LEU QD 3.830 . 3.830 3.269 2.294 3.394 . 0 0 "[ . 1 . 2]" 1
277 1 22 LEU H 1 22 LEU MD2 4.420 . 4.420 3.582 3.357 4.101 . 0 0 "[ . 1 . 2]" 1
278 1 22 LEU H 1 22 LEU HG 3.950 . 3.950 2.880 2.678 3.831 . 0 0 "[ . 1 . 2]" 1
279 1 22 LEU H 1 23 GLU H 4.690 . 4.690 4.426 4.307 4.506 . 0 0 "[ . 1 . 2]" 1
280 1 22 LEU HA 1 22 LEU QD 2.950 . 2.950 2.103 2.019 2.849 . 0 0 "[ . 1 . 2]" 1
281 1 22 LEU HA 1 23 GLU H 2.990 . 2.990 2.167 2.078 2.315 . 0 0 "[ . 1 . 2]" 1
282 1 22 LEU HA 1 23 GLU QG 5.170 . 5.170 4.051 3.511 4.879 . 0 0 "[ . 1 . 2]" 1
283 1 22 LEU HA 1 26 GLU HB3 4.060 . 4.060 3.684 3.043 4.081 0.021 10 0 "[ . 1 . 2]" 1
284 1 22 LEU HA 1 26 GLU QG 5.340 . 5.340 3.209 2.668 4.393 . 0 0 "[ . 1 . 2]" 1
285 1 22 LEU HA 1 27 LEU QD 4.810 . 4.810 4.431 4.320 4.612 . 0 0 "[ . 1 . 2]" 1
286 1 22 LEU HB2 1 23 GLU H 4.760 . 4.760 3.918 3.233 4.186 . 0 0 "[ . 1 . 2]" 1
287 1 22 LEU HB2 1 26 GLU HB3 4.540 . 4.540 4.308 4.110 4.566 0.026 2 0 "[ . 1 . 2]" 1
288 1 22 LEU HB2 1 27 LEU MD1 5.500 . 5.500 3.536 3.337 3.811 . 0 0 "[ . 1 . 2]" 1
289 1 22 LEU HB2 1 27 LEU QD 4.220 . 4.220 2.191 2.095 2.357 . 0 0 "[ . 1 . 2]" 1
290 1 22 LEU HB2 1 27 LEU MD2 5.500 . 5.500 2.214 2.108 2.393 . 0 0 "[ . 1 . 2]" 1
291 1 22 LEU HB2 1 30 PHE QD 5.500 . 5.500 5.486 5.269 5.581 0.081 10 0 "[ . 1 . 2]" 1
292 1 22 LEU HB3 1 23 GLU H 4.760 . 4.760 2.854 1.870 3.262 . 0 0 "[ . 1 . 2]" 1
293 1 22 LEU HB3 1 23 GLU QG 5.340 . 5.340 4.881 4.389 5.489 0.149 10 0 "[ . 1 . 2]" 1
294 1 22 LEU HB3 1 25 VAL MG1 5.500 . 5.500 5.605 5.388 5.823 0.323 5 0 "[ . 1 . 2]" 1
295 1 22 LEU HB3 1 26 GLU HB3 4.010 . 4.010 2.645 2.419 2.863 . 0 0 "[ . 1 . 2]" 1
296 1 22 LEU HB3 1 27 LEU H 3.970 . 3.970 3.166 2.983 3.450 . 0 0 "[ . 1 . 2]" 1
297 1 22 LEU HB3 1 27 LEU QD 3.370 . 3.370 2.930 2.603 3.216 . 0 0 "[ . 1 . 2]" 1
298 1 22 LEU HB3 1 79 PHE QE 5.500 . 5.500 5.386 5.065 5.519 0.019 4 0 "[ . 1 . 2]" 1
299 1 22 LEU QD 1 23 GLU H 3.740 . 3.740 3.415 2.961 4.219 0.479 20 0 "[ . 1 . 2]" 1
300 1 22 LEU QD 1 23 GLU QG 4.760 . 4.760 4.681 4.190 5.330 0.570 13 4 "[ -. * + . *2]" 1
301 1 22 LEU QD 1 26 GLU H 5.210 . 5.210 4.587 4.364 4.925 . 0 0 "[ . 1 . 2]" 1
302 1 22 LEU QD 1 26 GLU HB2 3.570 . 3.570 2.817 2.565 3.292 . 0 0 "[ . 1 . 2]" 1
303 1 22 LEU QD 1 26 GLU HB3 3.770 . 3.770 2.082 1.888 2.641 . 0 0 "[ . 1 . 2]" 1
304 1 22 LEU QD 1 27 LEU H 4.810 . 4.810 3.722 3.517 4.030 . 0 0 "[ . 1 . 2]" 1
305 1 22 LEU QD 1 27 LEU HA 3.660 . 3.660 2.915 2.642 3.160 . 0 0 "[ . 1 . 2]" 1
306 1 22 LEU QD 1 30 PHE HB2 3.670 . 3.670 3.146 2.664 3.902 0.232 3 0 "[ . 1 . 2]" 1
307 1 22 LEU QD 1 30 PHE HB3 3.690 . 3.690 3.118 2.717 3.524 . 0 0 "[ . 1 . 2]" 1
308 1 22 LEU QD 1 30 PHE QD 4.170 . 4.170 3.431 3.140 3.757 . 0 0 "[ . 1 . 2]" 1
309 1 22 LEU QD 1 79 PHE HA 4.590 . 4.590 3.598 3.297 4.008 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU QD 1 79 PHE QD 3.930 . 3.930 2.431 2.128 2.861 . 0 0 "[ . 1 . 2]" 1
311 1 22 LEU QD 1 79 PHE QE 3.310 . 3.310 1.980 1.900 2.159 . 0 0 "[ . 1 . 2]" 1
312 1 22 LEU QD 1 79 PHE HZ 5.090 . 5.090 3.645 3.299 3.855 . 0 0 "[ . 1 . 2]" 1
313 1 22 LEU QD 1 82 ILE HB 5.440 . 5.440 4.881 4.493 5.371 . 0 0 "[ . 1 . 2]" 1
314 1 22 LEU QD 1 82 ILE MD 2.930 . 2.930 2.307 2.005 2.611 . 0 0 "[ . 1 . 2]" 1
315 1 22 LEU QD 1 84 ARG QD 4.560 . 4.560 3.229 2.565 4.208 . 0 0 "[ . 1 . 2]" 1
316 1 22 LEU QD 1 84 ARG QG 3.870 . 3.870 2.067 1.852 3.240 . 0 0 "[ . 1 . 2]" 1
317 1 22 LEU QD 1 87 LEU QD 3.360 . 3.360 2.192 1.863 2.879 . 0 0 "[ . 1 . 2]" 1
318 1 22 LEU MD1 1 27 LEU H 5.500 . 5.500 3.989 3.642 5.641 0.141 20 0 "[ . 1 . 2]" 1
319 1 22 LEU MD1 1 79 PHE QE 4.100 . 4.100 2.003 1.908 2.300 . 0 0 "[ . 1 . 2]" 1
320 1 22 LEU MD1 1 82 ILE MD 3.440 . 3.440 2.594 2.270 3.360 . 0 0 "[ . 1 . 2]" 1
321 1 22 LEU MD2 1 27 LEU H 5.500 . 5.500 4.667 3.775 4.873 . 0 0 "[ . 1 . 2]" 1
322 1 22 LEU MD2 1 79 PHE QE 4.100 . 4.100 3.518 2.261 4.165 0.065 9 0 "[ . 1 . 2]" 1
323 1 22 LEU MD2 1 82 ILE MD 3.440 . 3.440 2.667 2.020 3.109 . 0 0 "[ . 1 . 2]" 1
324 1 22 LEU HG 1 27 LEU QD 5.440 . 5.440 3.645 3.471 4.095 . 0 0 "[ . 1 . 2]" 1
325 1 22 LEU HG 1 30 PHE QD 5.500 . 5.500 6.091 5.720 6.410 0.910 10 14 "[ **.* **+ -**** ***]" 1
326 1 22 LEU HG 1 79 PHE QE 4.760 . 4.760 3.573 2.708 4.205 . 0 0 "[ . 1 . 2]" 1
327 1 22 LEU HG 1 87 LEU QD 4.730 . 4.730 2.993 2.493 4.144 . 0 0 "[ . 1 . 2]" 1
328 1 23 GLU H 1 23 GLU HB2 4.040 . 4.040 2.911 1.937 3.690 . 0 0 "[ . 1 . 2]" 1
329 1 23 GLU H 1 23 GLU QB 3.310 . 3.310 2.453 1.916 2.716 . 0 0 "[ . 1 . 2]" 1
330 1 23 GLU H 1 23 GLU HB3 4.040 . 4.040 3.070 2.568 3.622 . 0 0 "[ . 1 . 2]" 1
331 1 23 GLU H 1 23 GLU QG 3.680 . 3.680 2.471 1.974 3.791 0.111 19 0 "[ . 1 . 2]" 1
332 1 23 GLU H 1 26 GLU H 4.130 . 4.130 3.501 3.243 3.717 . 0 0 "[ . 1 . 2]" 1
333 1 23 GLU H 1 26 GLU HB2 4.260 . 4.260 2.198 1.823 2.514 . 0 0 "[ . 1 . 2]" 1
334 1 23 GLU H 1 26 GLU HB3 3.810 . 3.810 3.522 3.160 3.828 0.018 14 0 "[ . 1 . 2]" 1
335 1 23 GLU H 1 26 GLU HG2 4.120 . 4.120 3.027 2.354 4.113 . 0 0 "[ . 1 . 2]" 1
336 1 23 GLU H 1 26 GLU QG 3.370 . 3.370 2.330 1.967 2.911 . 0 0 "[ . 1 . 2]" 1
337 1 23 GLU H 1 26 GLU HG3 4.120 . 4.120 2.445 2.005 2.976 . 0 0 "[ . 1 . 2]" 1
338 1 23 GLU HA 1 23 GLU HG2 4.090 . 4.090 3.239 2.270 4.043 . 0 0 "[ . 1 . 2]" 1
339 1 23 GLU HA 1 23 GLU QG 3.550 . 3.550 2.973 2.246 3.373 . 0 0 "[ . 1 . 2]" 1
340 1 23 GLU HA 1 23 GLU HG3 4.090 . 4.090 3.674 3.358 3.872 . 0 0 "[ . 1 . 2]" 1
341 1 23 GLU HA 1 24 ALA H 3.170 . 3.170 2.546 2.406 2.773 . 0 0 "[ . 1 . 2]" 1
342 1 23 GLU HA 1 24 ALA MB 4.590 . 4.590 4.269 4.158 4.447 . 0 0 "[ . 1 . 2]" 1
343 1 23 GLU HA 1 26 GLU HB2 4.590 . 4.590 4.382 4.270 4.513 . 0 0 "[ . 1 . 2]" 1
344 1 23 GLU HA 1 27 LEU QD 4.490 . 4.490 4.063 3.416 4.260 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLU QB 1 24 ALA H 3.500 . 3.500 2.363 2.001 3.095 . 0 0 "[ . 1 . 2]" 1
346 1 23 GLU QB 1 24 ALA HA 4.770 . 4.770 4.464 4.200 4.615 . 0 0 "[ . 1 . 2]" 1
347 1 23 GLU QB 1 24 ALA MB 4.160 . 4.160 3.780 3.496 4.184 0.024 10 0 "[ . 1 . 2]" 1
348 1 23 GLU QB 1 25 VAL H 3.760 . 3.760 3.015 2.448 3.846 0.086 9 0 "[ . 1 . 2]" 1
349 1 23 GLU QB 1 25 VAL MG1 4.090 . 4.090 2.675 1.909 3.871 . 0 0 "[ . 1 . 2]" 1
350 1 23 GLU QB 1 26 GLU H 3.940 . 3.940 2.964 2.081 4.191 0.251 9 0 "[ . 1 . 2]" 1
351 1 23 GLU QB 1 26 GLU QG 3.510 . 3.510 2.680 1.907 3.628 0.118 6 0 "[ . 1 . 2]" 1
352 1 23 GLU HB2 1 25 VAL MG1 4.680 . 4.680 3.053 1.968 4.208 . 0 0 "[ . 1 . 2]" 1
353 1 23 GLU HB2 1 26 GLU H 4.750 . 4.750 3.384 2.093 4.645 . 0 0 "[ . 1 . 2]" 1
354 1 23 GLU HB3 1 25 VAL MG1 4.680 . 4.680 3.211 1.964 4.520 . 0 0 "[ . 1 . 2]" 1
355 1 23 GLU HB3 1 26 GLU H 4.750 . 4.750 3.781 2.121 4.808 0.058 14 0 "[ . 1 . 2]" 1
356 1 23 GLU QG 1 25 VAL MG1 4.470 . 4.470 2.590 1.945 3.254 . 0 0 "[ . 1 . 2]" 1
357 1 23 GLU QG 1 26 GLU H 4.300 . 4.300 3.294 2.104 4.219 . 0 0 "[ . 1 . 2]" 1
358 1 24 ALA H 1 24 ALA MB 2.950 . 2.950 2.235 2.197 2.255 . 0 0 "[ . 1 . 2]" 1
359 1 24 ALA H 1 25 VAL H 3.790 . 3.790 2.783 2.524 3.020 . 0 0 "[ . 1 . 2]" 1
360 1 24 ALA HA 1 26 GLU H 4.710 . 4.710 4.293 4.063 4.468 . 0 0 "[ . 1 . 2]" 1
361 1 24 ALA HA 1 27 LEU H 4.120 . 4.120 3.532 3.259 3.845 . 0 0 "[ . 1 . 2]" 1
362 1 24 ALA HA 1 27 LEU HB2 3.980 . 3.980 2.706 2.461 3.143 . 0 0 "[ . 1 . 2]" 1
363 1 24 ALA HA 1 27 LEU QD 4.380 . 4.380 2.442 2.103 3.160 . 0 0 "[ . 1 . 2]" 1
364 1 24 ALA MB 1 25 VAL H 3.160 . 3.160 2.501 2.310 2.625 . 0 0 "[ . 1 . 2]" 1
365 1 24 ALA MB 1 25 VAL HA 4.290 . 4.290 3.850 3.725 3.917 . 0 0 "[ . 1 . 2]" 1
366 1 24 ALA MB 1 25 VAL HB 4.340 . 4.340 4.103 3.911 4.268 . 0 0 "[ . 1 . 2]" 1
367 1 24 ALA MB 1 25 VAL MG1 5.500 . 5.500 3.937 3.650 4.087 . 0 0 "[ . 1 . 2]" 1
368 1 24 ALA MB 1 25 VAL MG2 5.500 . 5.500 4.939 4.786 5.045 . 0 0 "[ . 1 . 2]" 1
369 1 25 VAL H 1 25 VAL HB 2.950 . 2.950 2.662 2.581 2.746 . 0 0 "[ . 1 . 2]" 1
370 1 25 VAL H 1 25 VAL MG1 2.990 . 2.990 2.074 1.917 2.193 . 0 0 "[ . 1 . 2]" 1
371 1 25 VAL H 1 25 VAL MG2 3.920 . 3.920 3.797 3.764 3.840 . 0 0 "[ . 1 . 2]" 1
372 1 25 VAL H 1 26 GLU H 3.270 . 3.270 2.644 2.555 2.724 . 0 0 "[ . 1 . 2]" 1
373 1 25 VAL H 1 27 LEU H 5.500 . 5.500 4.202 4.075 4.355 . 0 0 "[ . 1 . 2]" 1
374 1 25 VAL H 1 27 LEU HB2 5.050 . 5.050 5.155 4.982 5.424 0.374 18 0 "[ . 1 . 2]" 1
375 1 25 VAL H 1 28 LYS H 5.400 . 5.400 4.609 4.461 4.766 . 0 0 "[ . 1 . 2]" 1
376 1 25 VAL HA 1 25 VAL MG1 3.350 . 3.350 3.225 3.163 3.245 . 0 0 "[ . 1 . 2]" 1
377 1 25 VAL HA 1 25 VAL MG2 2.980 . 2.980 2.409 2.336 2.466 . 0 0 "[ . 1 . 2]" 1
378 1 25 VAL HA 1 26 GLU QG 5.340 . 5.340 5.142 5.014 5.342 0.002 11 0 "[ . 1 . 2]" 1
379 1 25 VAL HA 1 27 LEU HB2 5.500 . 5.500 5.204 4.896 5.459 . 0 0 "[ . 1 . 2]" 1
380 1 25 VAL HA 1 28 LYS H 3.830 . 3.830 3.347 3.078 3.532 . 0 0 "[ . 1 . 2]" 1
381 1 25 VAL HA 1 28 LYS HB2 5.500 . 5.500 2.894 2.058 3.266 . 0 0 "[ . 1 . 2]" 1
382 1 25 VAL HA 1 28 LYS HB3 5.500 . 5.500 2.489 2.193 2.884 . 0 0 "[ . 1 . 2]" 1
383 1 25 VAL HA 1 28 LYS QD 4.160 . 4.160 3.138 2.624 3.864 . 0 0 "[ . 1 . 2]" 1
384 1 25 VAL HA 1 28 LYS QG 4.520 . 4.520 4.135 3.168 4.570 0.050 2 0 "[ . 1 . 2]" 1
385 1 25 VAL HA 1 29 LYS H 5.360 . 5.360 4.172 3.961 4.462 . 0 0 "[ . 1 . 2]" 1
386 1 25 VAL HB 1 26 GLU H 4.120 . 4.120 4.063 3.969 4.141 0.021 5 0 "[ . 1 . 2]" 1
387 1 25 VAL HB 1 29 LYS QE 5.500 . 5.500 5.018 4.509 5.341 . 0 0 "[ . 1 . 2]" 1
388 1 25 VAL MG1 1 26 GLU H 3.450 . 3.450 2.278 2.042 2.522 . 0 0 "[ . 1 . 2]" 1
389 1 25 VAL MG1 1 26 GLU HA 4.750 . 4.750 3.373 3.257 3.519 . 0 0 "[ . 1 . 2]" 1
390 1 25 VAL MG1 1 26 GLU HB2 5.500 . 5.500 3.943 3.815 4.136 . 0 0 "[ . 1 . 2]" 1
391 1 25 VAL MG1 1 26 GLU HB3 5.500 . 5.500 4.519 4.378 4.708 . 0 0 "[ . 1 . 2]" 1
392 1 25 VAL MG1 1 26 GLU HG2 4.850 . 4.850 2.416 2.197 3.384 . 0 0 "[ . 1 . 2]" 1
393 1 25 VAL MG1 1 26 GLU QG 3.990 . 3.990 2.278 2.182 2.454 . 0 0 "[ . 1 . 2]" 1
394 1 25 VAL MG1 1 26 GLU HG3 4.850 . 4.850 3.586 2.389 3.959 . 0 0 "[ . 1 . 2]" 1
395 1 25 VAL MG1 1 27 LEU HB2 5.500 . 5.500 5.915 5.769 6.096 0.596 18 5 "[ * -1 *. + *]" 1
396 1 25 VAL MG1 1 28 LYS QD 5.500 . 5.500 5.199 4.680 5.672 0.172 1 0 "[ . 1 . 2]" 1
397 1 25 VAL MG1 1 29 LYS QE 3.810 . 3.810 3.207 2.603 3.712 . 0 0 "[ . 1 . 2]" 1
398 1 25 VAL MG1 1 29 LYS HG2 5.500 . 5.500 5.520 5.062 5.604 0.104 7 0 "[ . 1 . 2]" 1
399 1 25 VAL MG1 1 29 LYS HG3 5.500 . 5.500 4.321 4.005 4.516 . 0 0 "[ . 1 . 2]" 1
400 1 25 VAL MG2 1 26 GLU H 4.140 . 4.140 3.637 3.339 3.883 . 0 0 "[ . 1 . 2]" 1
401 1 25 VAL MG2 1 26 GLU QG 4.440 . 4.440 4.007 3.880 4.078 . 0 0 "[ . 1 . 2]" 1
402 1 25 VAL MG2 1 28 LYS QD 4.500 . 4.500 3.212 2.341 4.434 . 0 0 "[ . 1 . 2]" 1
403 1 25 VAL MG2 1 28 LYS QE 5.060 . 5.060 4.612 3.917 5.070 0.010 11 0 "[ . 1 . 2]" 1
404 1 25 VAL MG2 1 28 LYS QG 5.340 . 5.340 4.362 3.207 4.863 . 0 0 "[ . 1 . 2]" 1
405 1 25 VAL MG2 1 29 LYS H 4.900 . 4.900 4.073 3.835 4.268 . 0 0 "[ . 1 . 2]" 1
406 1 25 VAL MG2 1 29 LYS QB 5.340 . 5.340 4.457 4.042 4.781 . 0 0 "[ . 1 . 2]" 1
407 1 25 VAL MG2 1 29 LYS QD 5.340 . 5.340 3.418 2.733 3.956 . 0 0 "[ . 1 . 2]" 1
408 1 25 VAL MG2 1 29 LYS QE 3.810 . 3.810 2.291 1.905 2.712 . 0 0 "[ . 1 . 2]" 1
409 1 25 VAL MG2 1 29 LYS QG 4.880 . 4.880 2.754 2.489 2.978 . 0 0 "[ . 1 . 2]" 1
410 1 26 GLU H 1 26 GLU HB2 4.030 . 4.030 2.455 2.342 2.533 . 0 0 "[ . 1 . 2]" 1
411 1 26 GLU H 1 26 GLU HB3 3.910 . 3.910 3.589 3.544 3.637 . 0 0 "[ . 1 . 2]" 1
412 1 26 GLU H 1 26 GLU QG 3.670 . 3.670 2.207 2.039 2.440 . 0 0 "[ . 1 . 2]" 1
413 1 26 GLU H 1 27 LEU H 3.120 . 3.120 2.514 2.418 2.638 . 0 0 "[ . 1 . 2]" 1
414 1 26 GLU H 1 27 LEU HB2 5.500 . 5.500 4.574 4.432 4.760 . 0 0 "[ . 1 . 2]" 1
415 1 26 GLU H 1 28 LYS H 4.710 . 4.710 3.814 3.566 4.027 . 0 0 "[ . 1 . 2]" 1
416 1 26 GLU H 1 29 LYS H 5.260 . 5.260 4.656 4.526 4.818 . 0 0 "[ . 1 . 2]" 1
417 1 26 GLU HA 1 26 GLU QG 3.550 . 3.550 2.839 2.369 3.059 . 0 0 "[ . 1 . 2]" 1
418 1 26 GLU HA 1 29 LYS H 5.500 . 5.500 3.345 3.062 3.565 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLU HA 1 30 PHE H 5.500 . 5.500 4.089 3.846 4.561 . 0 0 "[ . 1 . 2]" 1
420 1 26 GLU HA 1 82 ILE MD 4.470 . 4.470 3.113 2.541 3.563 . 0 0 "[ . 1 . 2]" 1
421 1 26 GLU HB2 1 27 LEU H 5.500 . 5.500 2.519 2.328 2.651 . 0 0 "[ . 1 . 2]" 1
422 1 26 GLU HB2 1 82 ILE MD 4.780 . 4.780 4.099 3.674 4.491 . 0 0 "[ . 1 . 2]" 1
423 1 26 GLU HB3 1 27 LEU H 4.190 . 4.190 3.607 3.424 3.722 . 0 0 "[ . 1 . 2]" 1
424 1 26 GLU HB3 1 82 ILE MD 5.500 . 5.500 2.689 2.143 3.150 . 0 0 "[ . 1 . 2]" 1
425 1 26 GLU HB3 1 82 ILE MG 5.500 . 5.500 5.184 4.594 5.568 0.068 14 0 "[ . 1 . 2]" 1
426 1 26 GLU QG 1 27 LEU QD 5.280 . 5.280 5.042 4.860 5.296 0.016 13 0 "[ . 1 . 2]" 1
427 1 26 GLU QG 1 82 ILE MD 5.340 . 5.340 4.131 3.291 4.667 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU H 1 27 LEU HB2 3.320 . 3.320 2.449 2.399 2.493 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU H 1 27 LEU HB3 4.160 . 4.160 3.579 3.557 3.602 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU H 1 27 LEU MD1 4.380 . 4.380 3.567 3.470 3.653 . 0 0 "[ . 1 . 2]" 1
431 1 27 LEU H 1 27 LEU QD 3.750 . 3.750 3.138 3.093 3.192 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU H 1 27 LEU MD2 4.380 . 4.380 3.485 3.395 3.620 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU H 1 28 LYS H 3.280 . 3.280 2.600 2.495 2.683 . 0 0 "[ . 1 . 2]" 1
434 1 27 LEU H 1 29 LYS H 4.710 . 4.710 4.159 4.073 4.303 . 0 0 "[ . 1 . 2]" 1
435 1 27 LEU HA 1 27 LEU MD1 4.460 . 4.460 3.892 3.862 3.926 . 0 0 "[ . 1 . 2]" 1
436 1 27 LEU HA 1 27 LEU QD 2.930 . 2.930 2.093 2.057 2.127 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU HA 1 27 LEU MD2 4.460 . 4.460 2.102 2.065 2.136 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU HA 1 27 LEU HG 4.080 . 4.080 3.036 2.951 3.109 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU HA 1 29 LYS H 4.380 . 4.380 4.353 4.282 4.387 0.007 1 0 "[ . 1 . 2]" 1
440 1 27 LEU HA 1 30 PHE H 5.500 . 5.500 3.424 3.290 3.559 . 0 0 "[ . 1 . 2]" 1
441 1 27 LEU HA 1 30 PHE HB2 5.230 . 5.230 3.898 3.347 4.853 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU HA 1 30 PHE HB3 3.700 . 3.700 2.416 1.963 3.258 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU HA 1 30 PHE QD 4.230 . 4.230 2.250 1.832 2.679 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU HA 1 31 LYS H 5.500 . 5.500 3.901 3.532 4.512 . 0 0 "[ . 1 . 2]" 1
445 1 27 LEU HB2 1 27 LEU MD1 3.660 . 3.660 2.292 2.271 2.312 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU HB2 1 27 LEU QD 3.050 . 3.050 2.244 2.225 2.262 . 0 0 "[ . 1 . 2]" 1
447 1 27 LEU HB2 1 27 LEU MD2 3.660 . 3.660 3.196 3.184 3.204 . 0 0 "[ . 1 . 2]" 1
448 1 27 LEU HB2 1 28 LYS H 3.680 . 3.680 2.638 2.429 3.151 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU HB3 1 28 LYS H 4.500 . 4.500 3.610 3.437 3.951 . 0 0 "[ . 1 . 2]" 1
450 1 27 LEU QD 1 30 PHE H 5.420 . 5.420 4.841 4.680 4.957 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU QD 1 30 PHE HB2 5.440 . 5.440 4.465 3.875 5.273 . 0 0 "[ . 1 . 2]" 1
452 1 27 LEU QD 1 30 PHE HB3 4.560 . 4.560 3.623 3.181 4.227 . 0 0 "[ . 1 . 2]" 1
453 1 27 LEU QD 1 30 PHE QD 4.460 . 4.460 2.781 2.424 2.942 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU QD 1 31 LYS H 4.980 . 4.980 4.884 4.615 5.480 0.500 9 0 "[ . 1 . 2]" 1
455 1 27 LEU QD 1 54 GLY QA 3.780 . 3.780 2.743 2.253 3.395 . 0 0 "[ . 1 . 2]" 1
456 1 27 LEU QD 1 55 PRO HA 4.150 . 4.150 2.827 2.386 3.124 . 0 0 "[ . 1 . 2]" 1
457 1 27 LEU QD 1 55 PRO QD 3.540 . 3.540 2.409 2.046 2.809 . 0 0 "[ . 1 . 2]" 1
458 1 27 LEU QD 1 55 PRO QG 3.680 . 3.680 2.865 2.030 3.941 0.261 12 0 "[ . 1 . 2]" 1
459 1 27 LEU QD 1 58 MET QG . . 3.580 2.658 1.830 3.681 0.101 6 0 "[ . 1 . 2]" 1
460 1 27 LEU HG 1 28 LYS H 5.500 . 5.500 4.393 4.302 4.618 . 0 0 "[ . 1 . 2]" 1
461 1 27 LEU HG 1 58 MET QG 4.860 . 4.860 5.417 4.320 6.649 1.789 6 8 "[ *-.+** 1 * ** 2]" 1
462 1 28 LYS H 1 28 LYS HB2 3.690 . 3.690 2.428 2.267 2.575 . 0 0 "[ . 1 . 2]" 1
463 1 28 LYS H 1 28 LYS QB 3.070 . 3.070 2.195 2.149 2.272 . 0 0 "[ . 1 . 2]" 1
464 1 28 LYS H 1 28 LYS HB3 3.690 . 3.690 2.516 2.428 2.679 . 0 0 "[ . 1 . 2]" 1
465 1 28 LYS H 1 28 LYS QD 5.500 . 5.500 4.269 3.838 4.390 . 0 0 "[ . 1 . 2]" 1
466 1 28 LYS H 1 28 LYS HG2 4.890 . 4.890 4.456 4.401 4.557 . 0 0 "[ . 1 . 2]" 1
467 1 28 LYS H 1 28 LYS QG 4.130 . 4.130 3.955 3.917 4.018 . 0 0 "[ . 1 . 2]" 1
468 1 28 LYS H 1 28 LYS HG3 4.890 . 4.890 4.426 4.293 4.496 . 0 0 "[ . 1 . 2]" 1
469 1 28 LYS H 1 29 LYS H 3.600 . 3.600 2.705 2.339 2.851 . 0 0 "[ . 1 . 2]" 1
470 1 28 LYS H 1 29 LYS QG 5.340 . 5.340 4.294 3.911 4.635 . 0 0 "[ . 1 . 2]" 1
471 1 28 LYS HA 1 28 LYS QD 4.350 . 4.350 3.844 2.210 4.046 . 0 0 "[ . 1 . 2]" 1
472 1 28 LYS HA 1 28 LYS QG 3.520 . 3.520 2.508 2.384 2.695 . 0 0 "[ . 1 . 2]" 1
473 1 28 LYS HA 1 31 LYS H 4.410 . 4.410 3.691 3.049 3.892 . 0 0 "[ . 1 . 2]" 1
474 1 28 LYS HA 1 31 LYS HB2 4.560 . 4.560 4.558 2.352 5.335 0.775 18 6 "[* -. * 1 * .* + 2]" 1
475 1 28 LYS HA 1 31 LYS QB 3.700 . 3.700 3.704 2.164 4.427 0.727 1 6 "[+ - * 1 * .* * 2]" 1
476 1 28 LYS HA 1 31 LYS HB3 4.560 . 4.560 4.079 2.528 4.815 0.255 2 0 "[ . 1 . 2]" 1
477 1 28 LYS HA 1 32 LEU H 5.060 . 5.060 4.249 4.011 4.553 . 0 0 "[ . 1 . 2]" 1
478 1 28 LYS QB 1 28 LYS QD 3.430 . 3.430 2.111 2.045 2.260 . 0 0 "[ . 1 . 2]" 1
479 1 28 LYS QD 1 29 LYS H 5.500 . 5.500 4.321 3.268 4.799 . 0 0 "[ . 1 . 2]" 1
480 1 28 LYS QE 1 28 LYS QG 3.360 . 3.360 2.282 2.097 2.394 . 0 0 "[ . 1 . 2]" 1
481 1 28 LYS QG 1 29 LYS H 4.650 . 4.650 3.685 3.444 4.277 . 0 0 "[ . 1 . 2]" 1
482 1 28 LYS HG2 1 29 LYS H 5.500 . 5.500 3.885 3.555 4.719 . 0 0 "[ . 1 . 2]" 1
483 1 28 LYS HG3 1 29 LYS H 5.500 . 5.500 4.696 3.910 4.949 . 0 0 "[ . 1 . 2]" 1
484 1 29 LYS H 1 29 LYS HB2 3.990 . 3.990 2.504 2.370 2.609 . 0 0 "[ . 1 . 2]" 1
485 1 29 LYS H 1 29 LYS QB 3.430 . 3.430 2.460 2.337 2.548 . 0 0 "[ . 1 . 2]" 1
486 1 29 LYS H 1 29 LYS HB3 3.990 . 3.990 3.601 3.571 3.627 . 0 0 "[ . 1 . 2]" 1
487 1 29 LYS H 1 29 LYS HG2 3.970 . 3.970 3.400 3.150 3.502 . 0 0 "[ . 1 . 2]" 1
488 1 29 LYS H 1 29 LYS QG 3.370 . 3.370 2.209 1.937 2.432 . 0 0 "[ . 1 . 2]" 1
489 1 29 LYS H 1 29 LYS HG3 3.970 . 3.970 2.239 1.955 2.482 . 0 0 "[ . 1 . 2]" 1
490 1 29 LYS H 1 30 PHE H 3.380 . 3.380 2.596 2.454 2.704 . 0 0 "[ . 1 . 2]" 1
491 1 29 LYS H 1 32 LEU H 5.410 . 5.410 4.811 4.673 4.976 . 0 0 "[ . 1 . 2]" 1
492 1 29 LYS H 1 32 LEU QD 5.440 . 5.440 4.191 3.935 4.935 . 0 0 "[ . 1 . 2]" 1
493 1 29 LYS H 1 82 ILE MG 5.500 . 5.500 4.507 4.148 4.663 . 0 0 "[ . 1 . 2]" 1
494 1 29 LYS HA 1 29 LYS QG 3.180 . 3.180 2.512 2.372 2.645 . 0 0 "[ . 1 . 2]" 1
495 1 29 LYS HA 1 32 LEU H 4.270 . 4.270 3.666 3.439 3.792 . 0 0 "[ . 1 . 2]" 1
496 1 29 LYS HA 1 32 LEU MD1 4.550 . 4.550 3.390 3.012 4.378 . 0 0 "[ . 1 . 2]" 1
497 1 29 LYS HA 1 32 LEU QD 3.680 . 3.680 2.354 2.116 2.697 . 0 0 "[ . 1 . 2]" 1
498 1 29 LYS HA 1 32 LEU MD2 4.550 . 4.550 2.414 2.138 2.722 . 0 0 "[ . 1 . 2]" 1
499 1 29 LYS HA 1 32 LEU HG 5.500 . 5.500 2.637 2.055 4.963 . 0 0 "[ . 1 . 2]" 1
500 1 29 LYS HA 1 33 TYR H 4.830 . 4.830 4.211 4.036 4.520 . 0 0 "[ . 1 . 2]" 1
501 1 29 LYS HA 1 82 ILE MG 5.500 . 5.500 3.874 3.655 4.031 . 0 0 "[ . 1 . 2]" 1
502 1 29 LYS QB 1 30 PHE H 4.360 . 4.360 2.265 2.003 2.883 . 0 0 "[ . 1 . 2]" 1
503 1 29 LYS QB 1 30 PHE QD 5.340 . 5.340 5.229 4.998 5.318 . 0 0 "[ . 1 . 2]" 1
504 1 29 LYS QB 1 82 ILE MD 5.340 . 5.340 2.754 2.387 3.174 . 0 0 "[ . 1 . 2]" 1
505 1 29 LYS QB 1 82 ILE MG 3.500 . 3.500 2.077 1.924 2.332 . 0 0 "[ . 1 . 2]" 1
506 1 29 LYS QE 1 29 LYS QG 3.460 . 3.460 2.244 2.100 2.391 . 0 0 "[ . 1 . 2]" 1
507 1 29 LYS QE 1 82 ILE MG 4.650 . 4.650 4.253 3.054 4.866 0.216 9 0 "[ . 1 . 2]" 1
508 1 29 LYS QG 1 30 PHE H 4.610 . 4.610 3.865 3.588 4.235 . 0 0 "[ . 1 . 2]" 1
509 1 30 PHE H 1 30 PHE HB2 3.650 . 3.650 2.958 2.576 3.522 . 0 0 "[ . 1 . 2]" 1
510 1 30 PHE H 1 30 PHE HB3 3.270 . 3.270 2.106 2.014 2.263 . 0 0 "[ . 1 . 2]" 1
511 1 30 PHE H 1 30 PHE QD 4.040 . 4.040 3.663 2.971 4.044 0.004 19 0 "[ . 1 . 2]" 1
512 1 30 PHE H 1 31 LYS H 3.580 . 3.580 2.795 2.401 2.975 . 0 0 "[ . 1 . 2]" 1
513 1 30 PHE H 1 82 ILE MD 3.960 . 3.960 3.050 2.658 3.576 . 0 0 "[ . 1 . 2]" 1
514 1 30 PHE H 1 82 ILE MG 3.810 . 3.810 3.021 2.745 3.168 . 0 0 "[ . 1 . 2]" 1
515 1 30 PHE HA 1 30 PHE QD 3.660 . 3.660 3.142 2.663 3.601 . 0 0 "[ . 1 . 2]" 1
516 1 30 PHE HA 1 33 TYR HB2 4.620 . 4.620 3.657 3.133 4.130 . 0 0 "[ . 1 . 2]" 1
517 1 30 PHE HA 1 33 TYR QB 3.900 . 3.900 2.811 2.454 3.192 . 0 0 "[ . 1 . 2]" 1
518 1 30 PHE HA 1 33 TYR HB3 4.620 . 4.620 2.925 2.535 3.322 . 0 0 "[ . 1 . 2]" 1
519 1 30 PHE HA 1 33 TYR QD 5.500 . 5.500 4.511 4.255 4.761 . 0 0 "[ . 1 . 2]" 1
520 1 30 PHE HA 1 34 LEU MD2 4.690 . 4.690 4.389 4.074 4.674 . 0 0 "[ . 1 . 2]" 1
521 1 30 PHE HA 1 78 THR MG 3.200 . 3.200 2.069 1.848 2.395 . 0 0 "[ . 1 . 2]" 1
522 1 30 PHE HA 1 82 ILE MD 3.990 . 3.990 3.076 2.715 3.766 . 0 0 "[ . 1 . 2]" 1
523 1 30 PHE HA 1 82 ILE MG 3.310 . 3.310 2.452 2.172 2.877 . 0 0 "[ . 1 . 2]" 1
524 1 30 PHE HB2 1 31 LYS H 4.500 . 4.500 4.125 3.859 4.392 . 0 0 "[ . 1 . 2]" 1
525 1 30 PHE HB2 1 79 PHE QE 5.500 . 5.500 4.443 4.103 4.892 . 0 0 "[ . 1 . 2]" 1
526 1 30 PHE HB2 1 82 ILE MD 3.680 . 3.680 2.263 2.022 2.906 . 0 0 "[ . 1 . 2]" 1
527 1 30 PHE HB2 1 82 ILE MG 4.350 . 4.350 3.154 2.814 3.380 . 0 0 "[ . 1 . 2]" 1
528 1 30 PHE HB3 1 31 LYS H 4.050 . 4.050 3.015 2.473 3.541 . 0 0 "[ . 1 . 2]" 1
529 1 30 PHE HB3 1 82 ILE MD 3.570 . 3.570 2.962 2.129 3.563 . 0 0 "[ . 1 . 2]" 1
530 1 30 PHE HB3 1 82 ILE MG 4.250 . 4.250 3.793 3.016 4.187 . 0 0 "[ . 1 . 2]" 1
531 1 30 PHE QD 1 31 LYS H 5.500 . 5.500 2.950 2.635 4.159 . 0 0 "[ . 1 . 2]" 1
532 1 30 PHE QD 1 31 LYS HA 3.880 . 3.880 4.032 3.856 4.185 0.305 9 0 "[ . 1 . 2]" 1
533 1 30 PHE QD 1 31 LYS QB 5.210 . 5.210 3.441 2.978 4.137 . 0 0 "[ . 1 . 2]" 1
534 1 30 PHE QD 1 34 LEU MD2 3.710 . 3.710 2.696 2.200 3.091 . 0 0 "[ . 1 . 2]" 1
535 1 30 PHE QD 1 34 LEU HG 5.140 . 5.140 3.748 3.194 4.465 . 0 0 "[ . 1 . 2]" 1
536 1 30 PHE QD 1 75 ALA HA 3.600 . 3.600 3.132 2.908 3.454 . 0 0 "[ . 1 . 2]" 1
537 1 30 PHE QD 1 78 THR HA 5.500 . 5.500 5.089 4.713 5.391 . 0 0 "[ . 1 . 2]" 1
538 1 30 PHE QD 1 78 THR HB 3.360 . 3.360 2.380 2.030 2.656 . 0 0 "[ . 1 . 2]" 1
539 1 30 PHE QD 1 78 THR MG 3.130 . 3.130 2.305 2.009 2.682 . 0 0 "[ . 1 . 2]" 1
540 1 30 PHE QD 1 82 ILE MD 3.840 . 3.840 3.780 3.482 4.107 0.267 20 0 "[ . 1 . 2]" 1
541 1 30 PHE QD 1 82 ILE QG 5.340 . 5.340 5.151 4.837 5.331 . 0 0 "[ . 1 . 2]" 1
542 1 30 PHE QD 1 82 ILE MG 4.750 . 4.750 4.319 3.842 4.610 . 0 0 "[ . 1 . 2]" 1
543 1 30 PHE QE 1 34 LEU QD 4.490 . 4.490 2.146 1.988 2.468 . 0 0 "[ . 1 . 2]" 1
544 1 30 PHE QE 1 58 MET HB3 4.650 . 4.650 2.499 1.979 3.177 . 0 0 "[ . 1 . 2]" 1
545 1 30 PHE QE 1 62 LEU MD1 4.920 . 4.920 3.454 2.525 4.025 . 0 0 "[ . 1 . 2]" 1
546 1 30 PHE QE 1 62 LEU QD 3.600 . 3.600 2.437 1.842 2.922 . 0 0 "[ . 1 . 2]" 1
547 1 30 PHE QE 1 62 LEU MD2 4.920 . 4.920 2.500 1.864 3.047 . 0 0 "[ . 1 . 2]" 1
548 1 30 PHE QE 1 75 ALA HA 3.340 . 3.340 2.261 1.798 2.921 0.002 9 0 "[ . 1 . 2]" 1
549 1 30 PHE QE 1 75 ALA MB 3.390 . 3.390 2.852 2.456 3.364 . 0 0 "[ . 1 . 2]" 1
550 1 30 PHE QE 1 78 THR HB 4.480 . 4.480 3.692 2.964 4.425 . 0 0 "[ . 1 . 2]" 1
551 1 31 LYS H 1 31 LYS HB2 3.960 . 3.960 3.299 2.372 3.699 . 0 0 "[ . 1 . 2]" 1
552 1 31 LYS H 1 31 LYS QB 3.470 . 3.470 2.484 2.066 2.714 . 0 0 "[ . 1 . 2]" 1
553 1 31 LYS H 1 31 LYS HB3 3.960 . 3.960 2.683 2.103 3.622 . 0 0 "[ . 1 . 2]" 1
554 1 31 LYS H 1 32 LEU H 3.730 . 3.730 2.650 2.459 2.861 . 0 0 "[ . 1 . 2]" 1
555 1 31 LYS H 1 32 LEU QD 5.440 . 5.440 4.717 3.488 5.277 . 0 0 "[ . 1 . 2]" 1
556 1 31 LYS H 1 34 LEU HG 5.500 . 5.500 4.861 4.723 5.063 . 0 0 "[ . 1 . 2]" 1
557 1 31 LYS HA 1 34 LEU H 5.500 . 5.500 3.589 3.326 3.780 . 0 0 "[ . 1 . 2]" 1
558 1 31 LYS HA 1 34 LEU QB 5.500 . 5.500 4.901 4.749 5.020 . 0 0 "[ . 1 . 2]" 1
559 1 31 LYS HA 1 34 LEU MD2 3.570 . 3.570 3.975 3.742 4.062 0.492 13 0 "[ . 1 . 2]" 1
560 1 31 LYS HA 1 34 LEU HG 3.750 . 3.750 3.118 2.960 3.347 . 0 0 "[ . 1 . 2]" 1
561 1 31 LYS HA 1 62 LEU QD 5.440 . 5.440 4.293 3.790 4.713 . 0 0 "[ . 1 . 2]" 1
562 1 31 LYS QB 1 32 LEU H 3.450 . 3.450 3.332 2.345 3.801 0.351 17 0 "[ . 1 . 2]" 1
563 1 31 LYS QB 1 32 LEU QB 4.850 . 4.850 4.590 3.775 5.024 0.174 6 0 "[ . 1 . 2]" 1
564 1 31 LYS QB 1 34 LEU MD2 4.750 . 4.750 5.101 4.820 5.427 0.677 11 4 "[ * . *1+ -. 2]" 1
565 1 31 LYS HB2 1 32 LEU H 4.050 . 4.050 3.919 2.672 4.350 0.300 19 0 "[ . 1 . 2]" 1
566 1 31 LYS HB3 1 32 LEU H 4.050 . 4.050 3.786 2.368 4.353 0.303 17 0 "[ . 1 . 2]" 1
567 1 32 LEU H 1 32 LEU HB2 3.760 . 3.760 3.554 2.475 3.694 . 0 0 "[ . 1 . 2]" 1
568 1 32 LEU H 1 32 LEU QB 3.110 . 3.110 2.558 1.982 2.675 . 0 0 "[ . 1 . 2]" 1
569 1 32 LEU H 1 32 LEU HB3 3.760 . 3.760 2.626 2.086 2.746 . 0 0 "[ . 1 . 2]" 1
570 1 32 LEU H 1 32 LEU MD1 4.320 . 4.320 3.701 3.579 4.131 . 0 0 "[ . 1 . 2]" 1
571 1 32 LEU H 1 32 LEU MD2 4.320 . 4.320 3.426 2.196 3.958 . 0 0 "[ . 1 . 2]" 1
572 1 32 LEU H 1 32 LEU HG 3.820 . 3.820 2.611 2.280 4.123 0.303 10 0 "[ . 1 . 2]" 1
573 1 32 LEU HA 1 32 LEU MD1 4.560 . 4.560 3.558 2.460 4.085 . 0 0 "[ . 1 . 2]" 1
574 1 32 LEU HA 1 32 LEU QD 3.520 . 3.520 3.316 2.436 3.439 . 0 0 "[ . 1 . 2]" 1
575 1 32 LEU HA 1 32 LEU MD2 4.560 . 4.560 4.059 3.553 4.139 . 0 0 "[ . 1 . 2]" 1
576 1 32 LEU HA 1 32 LEU HG 4.160 . 4.160 3.704 2.791 3.837 . 0 0 "[ . 1 . 2]" 1
577 1 32 LEU HA 1 34 LEU H 4.920 . 4.920 4.485 3.804 5.077 0.157 8 0 "[ . 1 . 2]" 1
578 1 32 LEU HA 1 35 GLY H 5.500 . 5.500 3.569 3.321 4.308 . 0 0 "[ . 1 . 2]" 1
579 1 32 LEU HA 1 36 THR H 5.500 . 5.500 3.140 2.528 3.683 . 0 0 "[ . 1 . 2]" 1
580 1 32 LEU QB 1 32 LEU QD 2.740 . 2.740 1.903 1.881 1.919 . 0 0 "[ . 1 . 2]" 1
581 1 32 LEU QB 1 33 TYR H 3.840 . 3.840 3.464 2.144 3.736 . 0 0 "[ . 1 . 2]" 1
582 1 32 LEU QB 1 36 THR MG 5.340 . 5.340 3.007 2.635 3.780 . 0 0 "[ . 1 . 2]" 1
583 1 32 LEU HB2 1 32 LEU MD1 3.670 . 3.670 2.272 2.174 2.301 . 0 0 "[ . 1 . 2]" 1
584 1 32 LEU HB2 1 32 LEU MD2 3.670 . 3.670 2.580 2.479 3.161 . 0 0 "[ . 1 . 2]" 1
585 1 32 LEU HB2 1 33 TYR H 4.530 . 4.530 3.995 3.633 4.401 . 0 0 "[ . 1 . 2]" 1
586 1 32 LEU HB3 1 32 LEU MD1 3.670 . 3.670 3.147 2.395 3.204 . 0 0 "[ . 1 . 2]" 1
587 1 32 LEU HB3 1 32 LEU MD2 3.670 . 3.670 2.193 2.143 2.287 . 0 0 "[ . 1 . 2]" 1
588 1 32 LEU HB3 1 33 TYR H 4.530 . 4.530 3.879 2.159 4.191 . 0 0 "[ . 1 . 2]" 1
589 1 32 LEU QD 1 33 TYR H 3.900 . 3.900 2.636 2.127 3.264 . 0 0 "[ . 1 . 2]" 1
590 1 32 LEU QD 1 33 TYR HA 4.000 . 4.000 2.599 2.388 3.391 . 0 0 "[ . 1 . 2]" 1
591 1 32 LEU QD 1 33 TYR QB 3.790 . 3.790 2.947 2.667 3.293 . 0 0 "[ . 1 . 2]" 1
592 1 32 LEU QD 1 33 TYR QD 3.970 . 3.970 3.743 3.521 4.481 0.511 9 1 "[ . +1 . 2]" 1
593 1 32 LEU QD 1 33 TYR QE 4.980 . 4.980 5.466 5.253 6.137 1.157 9 5 "[ . - +* . * *]" 1
594 1 32 LEU QD 1 36 THR H 5.440 . 5.440 4.817 4.413 5.354 . 0 0 "[ . 1 . 2]" 1
595 1 32 LEU QD 1 36 THR MG 4.000 . 4.000 3.612 2.279 4.091 0.091 15 0 "[ . 1 . 2]" 1
596 1 32 LEU MD1 1 33 TYR HA 5.390 . 5.390 2.813 2.392 4.802 . 0 0 "[ . 1 . 2]" 1
597 1 32 LEU MD1 1 36 THR MG 4.570 . 4.570 3.838 2.289 4.607 0.037 15 0 "[ . 1 . 2]" 1
598 1 32 LEU MD2 1 33 TYR HA 5.390 . 5.390 4.957 3.442 5.319 . 0 0 "[ . 1 . 2]" 1
599 1 32 LEU MD2 1 36 THR MG 4.570 . 4.570 4.567 4.178 4.698 0.128 9 0 "[ . 1 . 2]" 1
600 1 32 LEU HG 1 33 TYR H 4.280 . 4.280 2.763 2.516 3.499 . 0 0 "[ . 1 . 2]" 1
601 1 32 LEU HG 1 33 TYR HA 4.440 . 4.440 4.234 3.209 4.470 0.030 14 0 "[ . 1 . 2]" 1
602 1 32 LEU HG 1 33 TYR QD 4.750 . 4.750 5.483 5.108 5.561 0.811 7 18 "[******+* 1*********-]" 1
603 1 32 LEU HG 1 36 THR MG 5.500 . 5.500 5.044 3.137 5.542 0.042 15 0 "[ . 1 . 2]" 1
604 1 33 TYR H 1 33 TYR HB2 3.410 . 3.410 2.577 2.463 2.748 . 0 0 "[ . 1 . 2]" 1
605 1 33 TYR H 1 33 TYR QB 2.850 . 2.850 2.281 2.224 2.339 . 0 0 "[ . 1 . 2]" 1
606 1 33 TYR H 1 33 TYR HB3 3.410 . 3.410 2.550 2.427 2.629 . 0 0 "[ . 1 . 2]" 1
607 1 33 TYR H 1 33 TYR QD 4.320 . 4.320 4.193 4.162 4.239 . 0 0 "[ . 1 . 2]" 1
608 1 33 TYR H 1 34 LEU H 3.270 . 3.270 2.772 2.537 2.981 . 0 0 "[ . 1 . 2]" 1
609 1 33 TYR H 1 82 ILE MG 5.500 . 5.500 4.391 3.945 4.857 . 0 0 "[ . 1 . 2]" 1
610 1 33 TYR HA 1 33 TYR QD 3.400 . 3.400 2.848 2.722 2.978 . 0 0 "[ . 1 . 2]" 1
611 1 33 TYR HA 1 35 GLY H 5.500 . 5.500 4.617 4.025 5.244 . 0 0 "[ . 1 . 2]" 1
612 1 33 TYR HA 1 36 THR H 4.550 . 4.550 4.782 3.924 5.416 0.866 17 6 "[ . *1 * *- + *]" 1
613 1 33 TYR HA 1 36 THR MG 4.030 . 4.030 4.952 4.057 6.133 2.103 15 15 "[* **. *** *-*+*****]" 1
614 1 33 TYR HA 1 37 ALA H 5.500 . 5.500 5.112 4.214 5.507 0.007 15 0 "[ . 1 . 2]" 1
615 1 33 TYR HA 1 82 ILE MG 5.500 . 5.500 5.191 4.563 5.725 0.225 8 0 "[ . 1 . 2]" 1
616 1 33 TYR QB 1 34 LEU H 3.810 . 3.810 2.541 2.047 3.003 . 0 0 "[ . 1 . 2]" 1
617 1 33 TYR QB 1 78 THR MG 3.210 . 3.210 2.176 2.011 2.378 . 0 0 "[ . 1 . 2]" 1
618 1 33 TYR QB 1 81 ARG QB 4.770 . 4.770 3.977 3.654 4.597 . 0 0 "[ . 1 . 2]" 1
619 1 33 TYR HB2 1 34 LEU H 4.460 . 4.460 3.890 3.563 4.206 . 0 0 "[ . 1 . 2]" 1
620 1 33 TYR HB2 1 81 ARG QB 5.500 . 5.500 4.354 3.960 4.935 . 0 0 "[ . 1 . 2]" 1
621 1 33 TYR HB2 1 82 ILE MG 4.320 . 4.320 3.184 2.552 3.731 . 0 0 "[ . 1 . 2]" 1
622 1 33 TYR HB3 1 34 LEU H 4.460 . 4.460 2.580 2.059 3.079 . 0 0 "[ . 1 . 2]" 1
623 1 33 TYR HB3 1 81 ARG QB 5.500 . 5.500 4.608 4.245 5.487 . 0 0 "[ . 1 . 2]" 1
624 1 33 TYR HB3 1 82 ILE MG 4.320 . 4.320 3.582 3.044 4.249 . 0 0 "[ . 1 . 2]" 1
625 1 33 TYR QD 1 34 LEU H 5.330 . 5.330 3.317 2.728 3.961 . 0 0 "[ . 1 . 2]" 1
626 1 33 TYR QD 1 34 LEU HA 5.030 . 5.030 3.449 2.934 4.146 . 0 0 "[ . 1 . 2]" 1
627 1 33 TYR QD 1 36 THR MG 4.510 . 4.510 6.603 5.842 7.570 3.060 15 20 [*****-********+*****] 1
628 1 33 TYR QD 1 37 ALA MB 5.500 . 5.500 4.169 3.418 4.626 . 0 0 "[ . 1 . 2]" 1
629 1 33 TYR QD 1 78 THR MG 4.220 . 4.220 2.328 2.058 2.571 . 0 0 "[ . 1 . 2]" 1
630 1 33 TYR QD 1 81 ARG QB 4.400 . 4.400 3.521 3.233 3.899 . 0 0 "[ . 1 . 2]" 1
631 1 33 TYR QD 1 81 ARG QD 4.140 . 4.140 4.618 4.134 5.041 0.901 12 11 "[** .* - **+* .* **]" 1
632 1 33 TYR QD 1 82 ILE HB 5.360 . 5.360 6.670 6.020 7.414 2.054 20 20 [******-************+] 1
633 1 33 TYR QD 1 82 ILE MG 3.820 . 3.820 3.925 3.438 4.448 0.628 8 3 "[ . + 1 . - *]" 1
634 1 33 TYR QE 1 36 THR MG 5.450 . 5.450 7.921 7.043 8.977 3.527 15 20 [**********-***+*****] 1
635 1 33 TYR QE 1 37 ALA MB 5.160 . 5.160 4.509 3.471 5.016 . 0 0 "[ . 1 . 2]" 1
636 1 33 TYR QE 1 78 THR MG 5.500 . 5.500 3.661 3.295 3.903 . 0 0 "[ . 1 . 2]" 1
637 1 33 TYR QE 1 81 ARG QB 5.500 . 5.500 3.181 2.831 3.689 . 0 0 "[ . 1 . 2]" 1
638 1 33 TYR QE 1 81 ARG QD 4.410 . 4.410 3.225 2.349 3.784 . 0 0 "[ . 1 . 2]" 1
639 1 33 TYR QE 1 81 ARG QG 4.470 . 4.470 3.079 2.385 4.478 0.008 5 0 "[ . 1 . 2]" 1
640 1 33 TYR QE 1 82 ILE MG 4.170 . 4.170 5.028 4.617 5.464 1.294 8 17 "[****** +*** ***-* **]" 1
641 1 34 LEU H 1 34 LEU QB 3.810 . 3.810 2.910 2.714 3.081 . 0 0 "[ . 1 . 2]" 1
642 1 34 LEU H 1 34 LEU MD1 4.090 . 4.090 2.951 2.503 3.195 . 0 0 "[ . 1 . 2]" 1
643 1 34 LEU H 1 34 LEU MD2 3.490 . 3.490 3.646 3.453 3.886 0.396 12 0 "[ . 1 . 2]" 1
644 1 34 LEU H 1 34 LEU HG 3.320 . 3.320 2.084 1.948 2.323 . 0 0 "[ . 1 . 2]" 1
645 1 34 LEU H 1 35 GLY H 3.340 . 3.340 2.321 2.026 2.568 . 0 0 "[ . 1 . 2]" 1
646 1 34 LEU H 1 36 THR H 5.500 . 5.500 4.239 3.619 4.739 . 0 0 "[ . 1 . 2]" 1
647 1 34 LEU H 1 78 THR MG 4.380 . 4.380 3.523 2.908 4.413 0.033 20 0 "[ . 1 . 2]" 1
648 1 34 LEU HA 1 34 LEU MD1 3.640 . 3.640 3.675 3.609 3.755 0.115 9 0 "[ . 1 . 2]" 1
649 1 34 LEU HA 1 34 LEU QD 3.400 . 3.400 3.411 3.382 3.466 0.066 9 0 "[ . 1 . 2]" 1
650 1 34 LEU HA 1 36 THR H 5.360 . 5.360 4.559 3.860 5.159 . 0 0 "[ . 1 . 2]" 1
651 1 34 LEU HA 1 37 ALA MB 3.850 . 3.850 2.328 1.938 2.793 . 0 0 "[ . 1 . 2]" 1
652 1 34 LEU HA 1 40 LEU QD 5.440 . 5.440 2.672 2.071 3.422 . 0 0 "[ . 1 . 2]" 1
653 1 34 LEU HA 1 78 THR MG 5.500 . 5.500 4.870 4.408 5.663 0.163 20 0 "[ . 1 . 2]" 1
654 1 34 LEU QB 1 35 GLY H . . 4.350 3.704 3.464 3.868 . 0 0 "[ . 1 . 2]" 1
655 1 34 LEU QB 1 62 LEU QD 5.440 . 5.440 3.804 3.308 4.654 . 0 0 "[ . 1 . 2]" 1
656 1 34 LEU QB 1 74 LEU QD 4.360 . 4.360 2.000 1.853 2.215 . 0 0 "[ . 1 . 2]" 1
657 1 34 LEU QB 1 78 THR MG 3.890 . 3.890 3.522 3.041 4.179 0.289 20 0 "[ . 1 . 2]" 1
658 1 34 LEU QB 1 82 ILE MG 5.500 . 5.500 6.139 5.718 6.601 1.101 8 13 "[*** ** +** ** *- *]" 1
659 1 34 LEU QD 1 74 LEU QD 3.660 . 3.660 2.078 1.928 2.422 . 0 0 "[ . 1 . 2]" 1
660 1 34 LEU MD1 1 35 GLY H 4.280 . 4.280 2.358 2.012 2.957 . 0 0 "[ . 1 . 2]" 1
661 1 34 LEU MD1 1 35 GLY QA 4.120 . 4.120 2.587 2.348 2.791 . 0 0 "[ . 1 . 2]" 1
662 1 34 LEU MD1 1 37 ALA H 5.500 . 5.500 5.075 4.873 5.275 . 0 0 "[ . 1 . 2]" 1
663 1 34 LEU MD1 1 37 ALA MB 5.500 . 5.500 4.752 4.500 5.148 . 0 0 "[ . 1 . 2]" 1
664 1 34 LEU MD1 1 62 LEU MD1 4.250 . 4.250 2.151 1.895 2.864 . 0 0 "[ . 1 . 2]" 1
665 1 34 LEU MD1 1 62 LEU QD 3.260 . 3.260 2.122 1.865 2.789 . 0 0 "[ . 1 . 2]" 1
666 1 34 LEU MD1 1 62 LEU MD2 4.250 . 4.250 3.294 2.760 3.975 . 0 0 "[ . 1 . 2]" 1
667 1 34 LEU MD1 1 62 LEU HG 4.150 . 4.150 3.641 2.786 3.950 . 0 0 "[ . 1 . 2]" 1
668 1 34 LEU MD1 1 66 PHE QE 5.090 . 5.090 3.072 2.471 3.490 . 0 0 "[ . 1 . 2]" 1
669 1 34 LEU MD1 1 66 PHE HZ 5.500 . 5.500 3.242 2.640 3.920 . 0 0 "[ . 1 . 2]" 1
670 1 34 LEU MD1 1 74 LEU HB3 5.050 . 5.050 4.051 3.720 4.359 . 0 0 "[ . 1 . 2]" 1
671 1 34 LEU MD1 1 74 LEU QD 3.350 . 3.350 3.279 3.096 3.589 0.239 17 0 "[ . 1 . 2]" 1
672 1 34 LEU MD1 1 74 LEU HG 4.160 . 4.160 4.435 4.061 4.751 0.591 14 4 "[ . 1 +. *-*2]" 1
673 1 34 LEU MD2 1 62 LEU MD1 3.740 . 3.740 2.559 2.052 3.264 . 0 0 "[ . 1 . 2]" 1
674 1 34 LEU MD2 1 62 LEU QD 3.020 . 3.020 2.384 2.018 2.778 . 0 0 "[ . 1 . 2]" 1
675 1 34 LEU MD2 1 62 LEU MD2 3.740 . 3.740 3.133 2.510 3.707 . 0 0 "[ . 1 . 2]" 1
676 1 34 LEU MD2 1 62 LEU HG 4.160 . 4.160 3.065 2.460 3.469 . 0 0 "[ . 1 . 2]" 1
677 1 34 LEU MD2 1 74 LEU HB3 4.900 . 4.900 2.143 1.930 2.553 . 0 0 "[ . 1 . 2]" 1
678 1 34 LEU MD2 1 74 LEU QD 5.500 . 5.500 2.102 1.944 2.466 . 0 0 "[ . 1 . 2]" 1
679 1 34 LEU MD2 1 75 ALA HA 4.680 . 4.680 3.182 2.691 3.781 . 0 0 "[ . 1 . 2]" 1
680 1 34 LEU MD2 1 75 ALA MB 5.500 . 5.500 3.920 3.492 4.469 . 0 0 "[ . 1 . 2]" 1
681 1 35 GLY H 1 36 THR H 3.290 . 3.290 2.489 2.310 2.706 . 0 0 "[ . 1 . 2]" 1
682 1 35 GLY H 1 36 THR MG 4.180 . 4.180 4.008 3.699 4.289 0.109 15 0 "[ . 1 . 2]" 1
683 1 35 GLY H 1 37 ALA H 4.040 . 4.040 3.637 3.252 3.852 . 0 0 "[ . 1 . 2]" 1
684 1 35 GLY QA 1 36 THR MG 4.900 . 4.900 3.725 3.374 4.093 . 0 0 "[ . 1 . 2]" 1
685 1 35 GLY QA 1 37 ALA MB 5.500 . 5.500 4.342 4.046 4.784 . 0 0 "[ . 1 . 2]" 1
686 1 35 GLY QA 1 40 LEU QB 4.860 . 4.860 5.334 4.304 6.468 1.608 13 11 "[ **-* ** 1* + .*** 2]" 1
687 1 35 GLY QA 1 40 LEU QD . . 3.860 3.878 2.926 4.628 0.768 20 4 "[ . - ** +]" 1
688 1 35 GLY QA 1 45 ILE MD 5.500 . 5.500 3.687 3.346 4.244 . 0 0 "[ . 1 . 2]" 1
689 1 35 GLY QA 1 45 ILE HG12 5.500 . 5.500 2.468 2.081 3.094 . 0 0 "[ . 1 . 2]" 1
690 1 35 GLY QA 1 45 ILE MG 5.500 . 5.500 3.176 2.749 3.801 . 0 0 "[ . 1 . 2]" 1
691 1 35 GLY QA 1 74 LEU QD . . 4.100 5.232 5.179 5.296 1.196 19 20 [*********-********+*] 1
692 1 36 THR H 1 36 THR HB 3.850 . 3.850 3.384 2.775 3.857 0.007 19 0 "[ . 1 . 2]" 1
693 1 36 THR H 1 36 THR MG 3.260 . 3.260 2.283 1.996 2.639 . 0 0 "[ . 1 . 2]" 1
694 1 36 THR H 1 37 ALA H 3.150 . 3.150 2.389 2.013 2.742 . 0 0 "[ . 1 . 2]" 1
695 1 36 THR H 1 37 ALA MB 4.390 . 4.390 3.822 3.426 4.056 . 0 0 "[ . 1 . 2]" 1
696 1 36 THR HA 1 36 THR MG 3.350 . 3.350 2.855 2.418 3.264 . 0 0 "[ . 1 . 2]" 1
697 1 36 THR HB 1 37 ALA H 4.520 . 4.520 4.440 4.145 4.544 0.024 7 0 "[ . 1 . 2]" 1
698 1 36 THR MG 1 37 ALA H 4.610 . 4.610 3.832 3.319 4.324 . 0 0 "[ . 1 . 2]" 1
699 1 37 ALA H 1 37 ALA MB 2.840 . 2.840 2.231 2.182 2.286 . 0 0 "[ . 1 . 2]" 1
700 1 37 ALA HA 1 38 THR H 2.940 . 2.940 2.126 2.042 2.301 . 0 0 "[ . 1 . 2]" 1
701 1 37 ALA HA 1 39 GLU H 4.780 . 4.780 3.431 3.052 3.831 . 0 0 "[ . 1 . 2]" 1
702 1 37 ALA MB 1 38 THR H 4.250 . 4.250 3.050 2.577 3.333 . 0 0 "[ . 1 . 2]" 1
703 1 37 ALA MB 1 38 THR HB 5.500 . 5.500 5.143 4.585 5.596 0.096 17 0 "[ . 1 . 2]" 1
704 1 37 ALA MB 1 39 GLU H 5.500 . 5.500 2.625 2.363 2.907 . 0 0 "[ . 1 . 2]" 1
705 1 37 ALA MB 1 39 GLU QG 4.280 . 4.280 2.364 1.847 4.087 . 0 0 "[ . 1 . 2]" 1
706 1 37 ALA MB 1 40 LEU H 4.170 . 4.170 2.786 2.270 3.581 . 0 0 "[ . 1 . 2]" 1
707 1 37 ALA MB 1 40 LEU HA 5.500 . 5.500 4.514 3.879 5.331 . 0 0 "[ . 1 . 2]" 1
708 1 37 ALA MB 1 40 LEU HB2 5.500 . 5.500 2.920 2.070 4.488 . 0 0 "[ . 1 . 2]" 1
709 1 37 ALA MB 1 40 LEU HB3 5.500 . 5.500 3.936 2.146 5.456 . 0 0 "[ . 1 . 2]" 1
710 1 37 ALA MB 1 40 LEU QD 4.180 . 4.180 2.213 1.844 3.167 . 0 0 "[ . 1 . 2]" 1
711 1 37 ALA MB 1 40 LEU HG 5.500 . 5.500 3.024 1.869 4.544 . 0 0 "[ . 1 . 2]" 1
712 1 38 THR H 1 38 THR HB 3.820 . 3.820 2.934 2.490 3.563 . 0 0 "[ . 1 . 2]" 1
713 1 38 THR H 1 38 THR MG 4.390 . 4.390 3.216 2.379 3.794 . 0 0 "[ . 1 . 2]" 1
714 1 38 THR H 1 39 GLU H 3.850 . 3.850 2.330 2.103 2.472 . 0 0 "[ . 1 . 2]" 1
715 1 38 THR HA 1 38 THR MG 2.910 . 2.910 2.342 2.213 3.120 0.210 10 0 "[ . 1 . 2]" 1
716 1 38 THR HA 1 40 LEU H 4.000 . 4.000 3.600 3.284 4.013 0.013 12 0 "[ . 1 . 2]" 1
717 1 38 THR HB 1 39 GLU H 5.500 . 5.500 3.396 2.552 4.093 . 0 0 "[ . 1 . 2]" 1
718 1 38 THR MG 1 39 GLU H 4.500 . 4.500 3.959 2.724 4.345 . 0 0 "[ . 1 . 2]" 1
719 1 39 GLU H 1 39 GLU HB2 4.140 . 4.140 3.368 2.443 3.691 . 0 0 "[ . 1 . 2]" 1
720 1 39 GLU H 1 39 GLU QB 3.420 . 3.420 2.579 2.206 2.720 . 0 0 "[ . 1 . 2]" 1
721 1 39 GLU H 1 39 GLU HB3 4.140 . 4.140 2.866 2.507 3.612 . 0 0 "[ . 1 . 2]" 1
722 1 39 GLU H 1 39 GLU QG 4.220 . 4.220 2.197 1.833 3.956 . 0 0 "[ . 1 . 2]" 1
723 1 39 GLU H 1 40 LEU H 3.810 . 3.810 2.561 2.380 2.722 . 0 0 "[ . 1 . 2]" 1
724 1 39 GLU H 1 40 LEU QB 4.930 . 4.930 4.491 3.906 4.879 . 0 0 "[ . 1 . 2]" 1
725 1 39 GLU HA 1 39 GLU QB 2.600 . 2.600 2.222 2.169 2.366 . 0 0 "[ . 1 . 2]" 1
726 1 39 GLU HA 1 39 GLU QG 3.550 . 3.550 3.139 2.333 3.478 . 0 0 "[ . 1 . 2]" 1
727 1 39 GLU QB 1 40 LEU H 4.410 . 4.410 3.511 2.637 3.869 . 0 0 "[ . 1 . 2]" 1
728 1 39 GLU HB2 1 39 GLU QG 2.680 . 2.680 2.323 2.141 2.382 . 0 0 "[ . 1 . 2]" 1
729 1 39 GLU HB3 1 39 GLU QG 2.680 . 2.680 2.349 2.272 2.471 . 0 0 "[ . 1 . 2]" 1
730 1 39 GLU QG 1 40 LEU H 4.010 . 4.010 3.111 2.291 4.076 0.066 18 0 "[ . 1 . 2]" 1
731 1 39 GLU QG 1 40 LEU HG 5.260 . 5.260 4.334 2.503 5.355 0.095 1 0 "[ . 1 . 2]" 1
732 1 40 LEU H 1 40 LEU QB 3.210 . 3.210 2.366 2.161 2.910 . 0 0 "[ . 1 . 2]" 1
733 1 40 LEU H 1 40 LEU QD 4.320 . 4.320 3.075 2.069 3.733 . 0 0 "[ . 1 . 2]" 1
734 1 40 LEU H 1 40 LEU HG 4.410 . 4.410 3.437 2.067 4.455 0.045 1 0 "[ . 1 . 2]" 1
735 1 40 LEU H 1 41 GLY H 3.390 . 3.390 2.231 1.930 2.452 . 0 0 "[ . 1 . 2]" 1
736 1 40 LEU HA 1 40 LEU QD 3.660 . 3.660 2.171 1.933 3.381 . 0 0 "[ . 1 . 2]" 1
737 1 40 LEU HA 1 40 LEU HG 3.640 . 3.640 3.244 2.550 3.710 0.070 8 0 "[ . 1 . 2]" 1
738 1 40 LEU HA 1 41 GLY QA 5.340 . 5.340 4.150 4.037 4.307 . 0 0 "[ . 1 . 2]" 1
739 1 40 LEU HA 1 66 PHE HZ 5.490 . 5.490 6.865 6.052 7.729 2.239 4 20 [***+****-***********] 1
740 1 40 LEU QB 1 40 LEU QD 2.820 . 2.820 1.978 1.875 2.090 . 0 0 "[ . 1 . 2]" 1
741 1 40 LEU QB 1 41 GLY H 3.410 . 3.410 3.121 2.207 3.496 0.086 13 0 "[ . 1 . 2]" 1
742 1 40 LEU QB 1 41 GLY QA 4.820 . 4.820 3.987 3.750 4.215 . 0 0 "[ . 1 . 2]" 1
743 1 40 LEU QB 1 43 GLY H 4.340 . 4.340 3.220 2.343 5.084 0.744 13 1 "[ . 1 + . 2]" 1
744 1 40 LEU QB 1 66 PHE QE 5.340 . 5.340 3.821 2.787 4.841 . 0 0 "[ . 1 . 2]" 1
745 1 40 LEU QB 1 66 PHE HZ 5.340 . 5.340 4.598 3.856 5.363 0.023 18 0 "[ . 1 . 2]" 1
746 1 40 LEU HB2 1 41 GLY H 3.930 . 3.930 3.427 2.240 4.022 0.092 1 0 "[ . 1 . 2]" 1
747 1 40 LEU HB3 1 41 GLY H 3.930 . 3.930 3.819 2.463 4.104 0.174 9 0 "[ . 1 . 2]" 1
748 1 40 LEU QD 1 41 GLY H 4.360 . 4.360 4.015 2.415 4.376 0.016 1 0 "[ . 1 . 2]" 1
749 1 40 LEU QD 1 43 GLY H 5.280 . 5.280 4.064 2.606 4.851 . 0 0 "[ . 1 . 2]" 1
750 1 40 LEU QD 1 43 GLY QA 4.470 . 4.470 3.002 1.897 4.149 . 0 0 "[ . 1 . 2]" 1
751 1 40 LEU QD 1 45 ILE HG12 5.440 . 5.440 4.552 3.560 5.937 0.497 20 0 "[ . 1 . 2]" 1
752 1 40 LEU QD 1 66 PHE QE . . 3.590 2.035 1.807 2.413 . 0 0 "[ . 1 . 2]" 1
753 1 40 LEU QD 1 66 PHE HZ 4.530 . 4.530 2.648 1.967 3.500 . 0 0 "[ . 1 . 2]" 1
754 1 40 LEU HG 1 66 PHE QE 5.500 . 5.500 4.017 2.310 5.018 . 0 0 "[ . 1 . 2]" 1
755 1 40 LEU HG 1 66 PHE HZ 5.500 . 5.500 4.677 3.198 5.535 0.035 13 0 "[ . 1 . 2]" 1
756 1 41 GLY H 1 42 GLU H 3.900 . 3.900 3.452 2.189 3.906 0.006 15 0 "[ . 1 . 2]" 1
757 1 41 GLY QA 1 42 GLU HA 5.340 . 5.340 4.015 3.869 4.438 . 0 0 "[ . 1 . 2]" 1
758 1 42 GLU H 1 42 GLU QB 3.290 . 3.290 2.755 2.265 3.362 0.072 17 0 "[ . 1 . 2]" 1
759 1 42 GLU H 1 42 GLU QG 4.220 . 4.220 2.937 1.908 4.368 0.148 12 0 "[ . 1 . 2]" 1
760 1 42 GLU H 1 43 GLY H 5.500 . 5.500 2.355 1.800 3.728 . 0 0 "[ . 1 . 2]" 1
761 1 42 GLU HA 1 42 GLU QG 3.350 . 3.350 2.740 2.351 3.275 . 0 0 "[ . 1 . 2]" 1
762 1 42 GLU HB2 1 43 GLY H 5.500 . 5.500 3.129 2.123 4.404 . 0 0 "[ . 1 . 2]" 1
763 1 42 GLU HB3 1 43 GLY H 5.500 . 5.500 3.608 2.195 4.485 . 0 0 "[ . 1 . 2]" 1
764 1 42 GLU QG 1 43 GLY H 4.470 . 4.470 3.858 3.067 4.569 0.099 16 0 "[ . 1 . 2]" 1
765 1 43 GLY H 1 44 LYS H 3.760 . 3.760 3.416 2.849 3.724 . 0 0 "[ . 1 . 2]" 1
766 1 43 GLY H 1 44 LYS QB 5.500 . 5.500 5.007 4.181 5.325 . 0 0 "[ . 1 . 2]" 1
767 1 43 GLY QA 1 44 LYS H 3.070 . 3.070 2.148 2.068 2.354 . 0 0 "[ . 1 . 2]" 1
768 1 43 GLY HA2 1 44 LYS H 3.560 . 3.560 2.206 2.091 2.768 . 0 0 "[ . 1 . 2]" 1
769 1 43 GLY HA2 1 44 LYS HA 5.500 . 5.500 4.403 4.318 4.618 . 0 0 "[ . 1 . 2]" 1
770 1 43 GLY HA3 1 44 LYS H 3.560 . 3.560 3.277 2.217 3.510 . 0 0 "[ . 1 . 2]" 1
771 1 43 GLY HA3 1 44 LYS HA 5.500 . 5.500 4.658 4.247 4.802 . 0 0 "[ . 1 . 2]" 1
772 1 44 LYS H 1 44 LYS QB 3.010 . 3.010 2.371 2.088 2.853 . 0 0 "[ . 1 . 2]" 1
773 1 44 LYS H 1 44 LYS QE 5.000 . 5.000 4.401 3.604 4.731 . 0 0 "[ . 1 . 2]" 1
774 1 44 LYS H 1 44 LYS HG2 4.610 . 4.610 3.266 2.036 4.388 . 0 0 "[ . 1 . 2]" 1
775 1 44 LYS H 1 44 LYS QG 3.950 . 3.950 3.017 2.025 3.879 . 0 0 "[ . 1 . 2]" 1
776 1 44 LYS H 1 44 LYS HG3 4.610 . 4.610 3.940 3.565 4.431 . 0 0 "[ . 1 . 2]" 1
777 1 44 LYS H 1 45 ILE H 3.590 . 3.590 2.527 1.875 2.870 . 0 0 "[ . 1 . 2]" 1
778 1 44 LYS H 1 45 ILE HB 5.500 . 5.500 4.717 3.996 5.413 . 0 0 "[ . 1 . 2]" 1
779 1 44 LYS H 1 45 ILE HG12 3.740 . 3.740 3.843 3.550 4.222 0.482 6 0 "[ . 1 . 2]" 1
780 1 44 LYS HA 1 44 LYS HD2 4.350 . 4.350 2.913 2.137 4.137 . 0 0 "[ . 1 . 2]" 1
781 1 44 LYS HA 1 44 LYS QD 3.640 . 3.640 2.314 1.960 3.399 . 0 0 "[ . 1 . 2]" 1
782 1 44 LYS HA 1 44 LYS HD3 4.350 . 4.350 2.937 1.995 4.097 . 0 0 "[ . 1 . 2]" 1
783 1 44 LYS HA 1 44 LYS QE 4.090 . 4.090 3.661 1.948 4.191 0.101 16 0 "[ . 1 . 2]" 1
784 1 44 LYS HA 1 44 LYS HG2 3.810 . 3.810 3.315 2.709 3.789 . 0 0 "[ . 1 . 2]" 1
785 1 44 LYS HA 1 44 LYS HG3 3.810 . 3.810 3.216 2.391 3.838 0.028 15 0 "[ . 1 . 2]" 1
786 1 44 LYS HA 1 45 ILE H 3.420 . 3.420 3.354 3.143 3.554 0.134 19 0 "[ . 1 . 2]" 1
787 1 44 LYS HA 1 45 ILE MD 5.480 . 5.480 5.014 4.766 5.579 0.099 19 0 "[ . 1 . 2]" 1
788 1 44 LYS HA 1 45 ILE HG12 5.500 . 5.500 5.048 4.575 5.284 . 0 0 "[ . 1 . 2]" 1
789 1 44 LYS QB 1 44 LYS QE 4.250 . 4.250 3.362 1.935 3.878 . 0 0 "[ . 1 . 2]" 1
790 1 44 LYS QB 1 45 ILE H 3.750 . 3.750 3.096 1.971 3.517 . 0 0 "[ . 1 . 2]" 1
791 1 44 LYS QB 1 45 ILE HA 4.920 . 4.920 3.987 3.735 4.249 . 0 0 "[ . 1 . 2]" 1
792 1 44 LYS QB 1 45 ILE MD 4.600 . 4.600 3.423 2.935 4.410 . 0 0 "[ . 1 . 2]" 1
793 1 44 LYS QB 1 45 ILE MG 5.500 . 5.500 5.139 4.787 5.403 . 0 0 "[ . 1 . 2]" 1
794 1 44 LYS QD 1 44 LYS QG 2.370 . 2.370 2.077 2.014 2.101 . 0 0 "[ . 1 . 2]" 1
795 1 44 LYS QE 1 44 LYS HG2 3.740 . 3.740 2.582 2.305 3.328 . 0 0 "[ . 1 . 2]" 1
796 1 44 LYS QE 1 44 LYS QG 3.240 . 3.240 2.291 2.082 2.777 . 0 0 "[ . 1 . 2]" 1
797 1 44 LYS QE 1 44 LYS HG3 3.740 . 3.740 2.717 2.329 3.586 . 0 0 "[ . 1 . 2]" 1
798 1 45 ILE H 1 45 ILE HB 3.240 . 3.240 2.540 2.288 3.363 0.123 19 0 "[ . 1 . 2]" 1
799 1 45 ILE H 1 45 ILE MD 3.600 . 3.600 3.494 2.949 3.630 0.030 13 0 "[ . 1 . 2]" 1
800 1 45 ILE H 1 45 ILE HG12 3.380 . 3.380 2.517 2.053 2.712 . 0 0 "[ . 1 . 2]" 1
801 1 45 ILE H 1 45 ILE HG13 4.200 . 4.200 3.877 3.525 4.258 0.058 19 0 "[ . 1 . 2]" 1
802 1 45 ILE H 1 45 ILE MG 4.330 . 4.330 3.789 3.684 4.028 . 0 0 "[ . 1 . 2]" 1
803 1 45 ILE HA 1 45 ILE MD 3.800 . 3.800 2.093 2.002 2.307 . 0 0 "[ . 1 . 2]" 1
804 1 45 ILE HA 1 45 ILE HG12 3.830 . 3.830 3.068 2.956 3.265 . 0 0 "[ . 1 . 2]" 1
805 1 45 ILE HA 1 45 ILE HG13 3.890 . 3.890 3.764 3.701 3.885 . 0 0 "[ . 1 . 2]" 1
806 1 45 ILE HA 1 45 ILE MG 3.240 . 3.240 2.433 2.260 2.588 . 0 0 "[ . 1 . 2]" 1
807 1 45 ILE HA 1 46 PRO QD 3.150 . 3.150 1.969 1.906 2.058 . 0 0 "[ . 1 . 2]" 1
808 1 45 ILE HA 1 65 HIS HE1 5.040 . 5.040 4.095 2.330 4.711 . 0 0 "[ . 1 . 2]" 1
809 1 45 ILE HB 1 45 ILE MD 3.410 . 3.410 3.236 3.208 3.262 . 0 0 "[ . 1 . 2]" 1
810 1 45 ILE HB 1 46 PRO HA 5.500 . 5.500 5.308 5.090 5.519 0.019 17 0 "[ . 1 . 2]" 1
811 1 45 ILE HB 1 46 PRO QD 5.500 . 5.500 4.021 3.830 4.156 . 0 0 "[ . 1 . 2]" 1
812 1 45 ILE MD 1 46 PRO QD 4.230 . 4.230 2.905 2.653 3.306 . 0 0 "[ . 1 . 2]" 1
813 1 45 ILE MD 1 46 PRO QG 5.500 . 5.500 4.398 4.062 4.808 . 0 0 "[ . 1 . 2]" 1
814 1 45 ILE MD 1 50 MET QB 5.340 . 5.340 4.158 2.459 5.323 . 0 0 "[ . 1 . 2]" 1
815 1 45 ILE MD 1 61 LEU QD 5.440 . 5.440 2.455 1.910 3.349 . 0 0 "[ . 1 . 2]" 1
816 1 45 ILE MD 1 62 LEU HA 3.870 . 3.870 3.248 2.557 4.069 0.199 9 0 "[ . 1 . 2]" 1
817 1 45 ILE MD 1 62 LEU QD 2.700 . 2.700 2.454 1.959 3.010 0.310 8 0 "[ . 1 . 2]" 1
818 1 45 ILE MD 1 65 HIS HA 5.460 . 5.460 5.252 4.822 5.581 0.121 9 0 "[ . 1 . 2]" 1
819 1 45 ILE MD 1 65 HIS HB2 4.350 . 4.350 3.063 2.632 3.642 . 0 0 "[ . 1 . 2]" 1
820 1 45 ILE MD 1 65 HIS QB 3.690 . 3.690 2.922 2.521 3.354 . 0 0 "[ . 1 . 2]" 1
821 1 45 ILE MD 1 65 HIS HB3 4.350 . 4.350 3.714 3.226 4.105 . 0 0 "[ . 1 . 2]" 1
822 1 45 ILE MD 1 65 HIS HD2 4.600 . 4.600 2.785 2.288 3.308 . 0 0 "[ . 1 . 2]" 1
823 1 45 ILE MD 1 66 PHE QD 4.200 . 4.200 3.841 3.257 4.707 0.507 9 1 "[ . +1 . 2]" 1
824 1 45 ILE MD 1 66 PHE QE 3.500 . 3.500 2.352 2.046 3.062 . 0 0 "[ . 1 . 2]" 1
825 1 45 ILE HG12 1 45 ILE MG 3.680 . 3.680 3.211 3.164 3.228 . 0 0 "[ . 1 . 2]" 1
826 1 45 ILE HG12 1 46 PRO QD 5.050 . 5.050 4.523 4.368 4.730 . 0 0 "[ . 1 . 2]" 1
827 1 45 ILE HG12 1 62 LEU QD 5.440 . 5.440 4.048 3.327 5.061 . 0 0 "[ . 1 . 2]" 1
828 1 45 ILE HG12 1 66 PHE QE 4.770 . 4.770 3.296 2.453 4.529 . 0 0 "[ . 1 . 2]" 1
829 1 45 ILE HG12 1 66 PHE HZ 4.980 . 4.980 3.367 2.830 4.536 . 0 0 "[ . 1 . 2]" 1
830 1 45 ILE HG13 1 45 ILE MG 3.560 . 3.560 2.371 2.320 2.457 . 0 0 "[ . 1 . 2]" 1
831 1 45 ILE HG13 1 66 PHE QE 4.480 . 4.480 3.914 3.148 5.089 0.609 9 1 "[ . +1 . 2]" 1
832 1 45 ILE HG13 1 66 PHE HZ 5.210 . 5.210 4.506 3.938 5.312 0.102 4 0 "[ . 1 . 2]" 1
833 1 45 ILE MG 1 46 PRO HA 4.410 . 4.410 4.114 3.926 4.239 . 0 0 "[ . 1 . 2]" 1
834 1 45 ILE MG 1 46 PRO QD . . 3.300 2.136 1.941 2.342 . 0 0 "[ . 1 . 2]" 1
835 1 45 ILE MG 1 46 PRO QG 3.390 . 3.390 3.177 2.885 3.383 . 0 0 "[ . 1 . 2]" 1
836 1 45 ILE MG 1 47 TRP HA 5.500 . 5.500 4.773 3.959 5.318 . 0 0 "[ . 1 . 2]" 1
837 1 45 ILE MG 1 48 GLY H 4.220 . 4.220 4.569 3.437 4.812 0.592 20 13 "[ *** ***-**** *+]" 1
838 1 45 ILE MG 1 48 GLY QA 4.100 . 4.100 4.575 3.827 5.312 1.212 20 9 "[ .* **-*** *+]" 1
839 1 45 ILE MG 1 49 SER QB 3.710 . 3.710 3.258 2.269 3.801 0.091 9 0 "[ . 1 . 2]" 1
840 1 45 ILE MG 1 50 MET H 4.310 . 4.310 3.527 2.915 4.204 . 0 0 "[ . 1 . 2]" 1
841 1 45 ILE MG 1 50 MET HA 5.500 . 5.500 4.569 3.947 5.025 . 0 0 "[ . 1 . 2]" 1
842 1 45 ILE MG 1 50 MET HB2 5.500 . 5.500 3.715 3.071 4.218 . 0 0 "[ . 1 . 2]" 1
843 1 45 ILE MG 1 50 MET HB3 5.500 . 5.500 3.426 2.296 4.305 . 0 0 "[ . 1 . 2]" 1
844 1 45 ILE MG 1 50 MET HG2 3.930 . 3.930 2.505 1.981 3.495 . 0 0 "[ . 1 . 2]" 1
845 1 45 ILE MG 1 50 MET QG 3.210 . 3.210 1.915 1.735 2.163 0.065 14 0 "[ . 1 . 2]" 1
846 1 45 ILE MG 1 50 MET HG3 3.930 . 3.930 2.064 1.802 2.397 . 0 0 "[ . 1 . 2]" 1
847 1 45 ILE MG 1 61 LEU QD 3.410 . 3.410 2.467 1.910 3.182 . 0 0 "[ . 1 . 2]" 1
848 1 45 ILE MG 1 62 LEU QD 5.440 . 5.440 4.332 3.894 4.851 . 0 0 "[ . 1 . 2]" 1
849 1 46 PRO HA 1 47 TRP H 3.040 . 3.040 2.228 2.009 2.745 . 0 0 "[ . 1 . 2]" 1
850 1 46 PRO HA 1 47 TRP HB3 5.000 . 5.000 5.128 4.338 5.805 0.805 7 8 "[* *-+ ** * . *]" 1
851 1 46 PRO QB 1 47 TRP H 3.660 . 3.660 2.869 1.828 3.622 . 0 0 "[ . 1 . 2]" 1
852 1 46 PRO QB 1 47 TRP HE3 4.860 . 4.860 2.891 2.223 3.310 . 0 0 "[ . 1 . 2]" 1
853 1 46 PRO QB 1 47 TRP HH2 4.660 . 4.660 4.626 3.679 5.768 1.108 10 3 "[* . + . -]" 1
854 1 46 PRO QB 1 48 GLY H 4.700 . 4.700 3.477 2.610 4.375 . 0 0 "[ . 1 . 2]" 1
855 1 46 PRO QB 1 49 SER H 4.560 . 4.560 3.616 2.391 4.002 . 0 0 "[ . 1 . 2]" 1
856 1 46 PRO HB2 1 47 TRP H 4.330 . 4.330 3.064 1.844 3.934 . 0 0 "[ . 1 . 2]" 1
857 1 46 PRO HB2 1 49 SER H 5.290 . 5.290 3.689 2.408 4.107 . 0 0 "[ . 1 . 2]" 1
858 1 46 PRO HB3 1 47 TRP H 4.330 . 4.330 3.553 2.758 4.237 . 0 0 "[ . 1 . 2]" 1
859 1 46 PRO HB3 1 49 SER H 5.290 . 5.290 5.248 4.076 5.528 0.238 8 0 "[ . 1 . 2]" 1
860 1 46 PRO QD 1 48 GLY H 5.500 . 5.500 5.533 5.056 5.889 0.389 17 0 "[ . 1 . 2]" 1
861 1 46 PRO QD 1 50 MET QG 4.930 . 4.930 4.326 3.414 4.544 . 0 0 "[ . 1 . 2]" 1
862 1 46 PRO QD 1 65 HIS HE1 4.780 . 4.780 2.542 2.130 3.102 . 0 0 "[ . 1 . 2]" 1
863 1 46 PRO QG 1 47 TRP HZ3 4.890 . 4.890 4.986 4.285 5.276 0.386 10 0 "[ . 1 . 2]" 1
864 1 46 PRO QG 1 48 GLY H 5.220 . 5.220 4.360 3.473 5.040 . 0 0 "[ . 1 . 2]" 1
865 1 46 PRO QG 1 49 SER H 3.520 . 3.520 3.367 2.623 3.529 0.009 19 0 "[ . 1 . 2]" 1
866 1 46 PRO QG 1 49 SER QB 3.980 . 3.980 2.041 1.768 2.448 0.032 6 0 "[ . 1 . 2]" 1
867 1 46 PRO QG 1 50 MET H 5.500 . 5.500 4.805 4.049 5.229 . 0 0 "[ . 1 . 2]" 1
868 1 47 TRP H 1 47 TRP HB2 3.620 . 3.620 3.158 2.406 3.810 0.190 3 0 "[ . 1 . 2]" 1
869 1 47 TRP H 1 47 TRP HB3 3.730 . 3.730 3.113 2.347 3.817 0.087 8 0 "[ . 1 . 2]" 1
870 1 47 TRP H 1 48 GLY H 3.750 . 3.750 3.407 2.457 3.873 0.123 3 0 "[ . 1 . 2]" 1
871 1 47 TRP HA 1 47 TRP HD1 4.800 . 4.800 3.861 2.987 4.617 . 0 0 "[ . 1 . 2]" 1
872 1 47 TRP HA 1 47 TRP HE3 4.440 . 4.440 4.280 4.023 4.682 0.242 5 0 "[ . 1 . 2]" 1
873 1 47 TRP HB2 1 48 GLY H 4.900 . 4.900 3.183 1.931 4.436 . 0 0 "[ . 1 . 2]" 1
874 1 47 TRP HB3 1 48 GLY H 4.360 . 4.360 3.821 2.990 4.241 . 0 0 "[ . 1 . 2]" 1
875 1 47 TRP HE1 1 51 GLU QG 5.340 . 5.340 8.746 6.209 11.480 6.140 1 20 [+**************-****] 1
876 1 48 GLY H 1 49 SER H 3.700 . 3.700 2.329 1.857 2.751 . 0 0 "[ . 1 . 2]" 1
877 1 48 GLY QA 1 49 SER H 3.340 . 3.340 2.791 2.521 2.948 . 0 0 "[ . 1 . 2]" 1
878 1 48 GLY QA 1 50 MET H . . 3.860 3.194 2.817 3.717 . 0 0 "[ . 1 . 2]" 1
879 1 48 GLY QA 1 51 GLU QB 5.340 . 5.340 3.699 2.662 4.395 . 0 0 "[ . 1 . 2]" 1
880 1 48 GLY QA 1 61 LEU QD 5.440 . 5.440 5.690 5.497 6.084 0.644 6 3 "[ .+ * - 2]" 1
881 1 49 SER H 1 49 SER QB 3.520 . 3.520 2.440 2.222 2.865 . 0 0 "[ . 1 . 2]" 1
882 1 49 SER H 1 50 MET QG 5.340 . 5.340 3.663 2.843 4.963 . 0 0 "[ . 1 . 2]" 1
883 1 49 SER H 1 51 GLU H 4.790 . 4.790 4.184 3.835 4.591 . 0 0 "[ . 1 . 2]" 1
884 1 49 SER H 1 61 LEU QD 4.660 . 4.660 4.507 4.155 4.842 0.182 10 0 "[ . 1 . 2]" 1
885 1 49 SER HA 1 51 GLU H 5.500 . 5.500 3.773 3.571 4.152 . 0 0 "[ . 1 . 2]" 1
886 1 49 SER HA 1 61 LEU QD 5.440 . 5.440 4.455 3.724 5.680 0.240 10 0 "[ . 1 . 2]" 1
887 1 49 SER QB 1 50 MET H 4.330 . 4.330 3.176 2.693 3.829 . 0 0 "[ . 1 . 2]" 1
888 1 49 SER QB 1 50 MET QB 5.340 . 5.340 4.326 3.676 4.752 . 0 0 "[ . 1 . 2]" 1
889 1 49 SER QB 1 61 LEU QB 5.170 . 5.170 5.252 4.355 6.340 1.170 1 4 "[+ - . * . * 2]" 1
890 1 49 SER QB 1 61 LEU QD 3.570 . 3.570 2.780 2.075 3.561 . 0 0 "[ . 1 . 2]" 1
891 1 50 MET H 1 50 MET HB2 3.870 . 3.870 3.265 2.502 3.817 . 0 0 "[ . 1 . 2]" 1
892 1 50 MET H 1 50 MET HB3 3.870 . 3.870 3.377 2.663 3.813 . 0 0 "[ . 1 . 2]" 1
893 1 50 MET H 1 50 MET QG 3.930 . 3.930 2.393 1.945 3.137 . 0 0 "[ . 1 . 2]" 1
894 1 50 MET H 1 51 GLU H 3.470 . 3.470 2.443 2.012 2.736 . 0 0 "[ . 1 . 2]" 1
895 1 50 MET H 1 51 GLU HA 5.500 . 5.500 4.663 4.262 5.012 . 0 0 "[ . 1 . 2]" 1
896 1 50 MET H 1 53 ALA MB 4.800 . 4.800 4.412 4.181 4.606 . 0 0 "[ . 1 . 2]" 1
897 1 50 MET H 1 61 LEU QD . . 4.300 3.782 3.383 4.464 0.164 1 0 "[ . 1 . 2]" 1
898 1 50 MET HA 1 53 ALA H 3.780 . 3.780 3.346 2.822 3.784 0.004 9 0 "[ . 1 . 2]" 1
899 1 50 MET HA 1 53 ALA MB 3.110 . 3.110 2.049 1.841 2.256 . 0 0 "[ . 1 . 2]" 1
900 1 50 MET HA 1 61 LEU QD 3.660 . 3.660 2.861 2.273 3.749 0.089 10 0 "[ . 1 . 2]" 1
901 1 50 MET QB 1 53 ALA MB 5.340 . 5.340 2.924 2.428 3.390 . 0 0 "[ . 1 . 2]" 1
902 1 50 MET QB 1 61 LEU QB 5.180 . 5.180 4.269 3.522 4.963 . 0 0 "[ . 1 . 2]" 1
903 1 50 MET QB 1 61 LEU QD 3.490 . 3.490 2.440 1.863 3.499 0.009 6 0 "[ . 1 . 2]" 1
904 1 50 MET HB2 1 51 GLU H 5.500 . 5.500 4.057 3.175 4.365 . 0 0 "[ . 1 . 2]" 1
905 1 50 MET HB3 1 51 GLU H 5.500 . 5.500 4.455 4.107 4.655 . 0 0 "[ . 1 . 2]" 1
906 1 50 MET QG 1 61 LEU QD 3.180 . 3.180 2.512 1.699 3.728 0.548 3 1 "[ + . 1 . 2]" 1
907 1 50 MET HG2 1 51 GLU H 5.500 . 5.500 5.113 3.607 5.517 0.017 19 0 "[ . 1 . 2]" 1
908 1 50 MET HG2 1 61 LEU QD 5.500 . 5.500 2.868 1.812 4.384 . 0 0 "[ . 1 . 2]" 1
909 1 50 MET HG3 1 51 GLU H 5.500 . 5.500 4.522 3.784 5.621 0.121 10 0 "[ . 1 . 2]" 1
910 1 50 MET HG3 1 61 LEU QD 5.500 . 5.500 2.881 1.718 4.035 0.082 10 0 "[ . 1 . 2]" 1
911 1 51 GLU H 1 51 GLU HB2 3.590 . 3.590 2.359 2.042 2.588 . 0 0 "[ . 1 . 2]" 1
912 1 51 GLU H 1 51 GLU QB 3.030 . 3.030 2.315 2.017 2.532 . 0 0 "[ . 1 . 2]" 1
913 1 51 GLU H 1 51 GLU HB3 3.590 . 3.590 3.490 2.403 3.637 0.047 10 0 "[ . 1 . 2]" 1
914 1 51 GLU H 1 52 LYS H 4.040 . 4.040 2.529 2.091 2.902 . 0 0 "[ . 1 . 2]" 1
915 1 51 GLU H 1 53 ALA H 4.240 . 4.240 3.710 3.320 4.116 . 0 0 "[ . 1 . 2]" 1
916 1 51 GLU H 1 53 ALA MB 5.500 . 5.500 4.021 3.609 4.383 . 0 0 "[ . 1 . 2]" 1
917 1 51 GLU HA 1 51 GLU HG2 3.910 . 3.910 2.868 2.475 3.732 . 0 0 "[ . 1 . 2]" 1
918 1 51 GLU HA 1 51 GLU QG 3.400 . 3.400 2.710 2.349 3.097 . 0 0 "[ . 1 . 2]" 1
919 1 51 GLU HA 1 51 GLU HG3 3.910 . 3.910 3.472 2.862 3.777 . 0 0 "[ . 1 . 2]" 1
920 1 51 GLU HA 1 53 ALA H 4.740 . 4.740 3.855 3.628 4.337 . 0 0 "[ . 1 . 2]" 1
921 1 51 GLU HA 1 53 ALA MB 5.500 . 5.500 4.752 4.396 5.198 . 0 0 "[ . 1 . 2]" 1
922 1 51 GLU QB 1 52 LYS H 3.250 . 3.250 2.404 1.852 2.934 . 0 0 "[ . 1 . 2]" 1
923 1 51 GLU QB 1 52 LYS HA 4.480 . 4.480 3.955 3.800 4.350 . 0 0 "[ . 1 . 2]" 1
924 1 51 GLU QB 1 53 ALA MB 5.340 . 5.340 5.078 4.675 5.183 . 0 0 "[ . 1 . 2]" 1
925 1 51 GLU QG 1 52 LYS QG 5.340 . 5.340 4.616 3.632 5.361 0.021 13 0 "[ . 1 . 2]" 1
926 1 52 LYS H 1 52 LYS HB2 4.160 . 4.160 2.791 2.388 3.681 . 0 0 "[ . 1 . 2]" 1
927 1 52 LYS H 1 52 LYS QB 3.540 . 3.540 2.534 2.355 2.872 . 0 0 "[ . 1 . 2]" 1
928 1 52 LYS H 1 52 LYS HB3 4.160 . 4.160 3.453 2.668 3.742 . 0 0 "[ . 1 . 2]" 1
929 1 52 LYS H 1 52 LYS QG 4.280 . 4.280 2.435 1.843 3.459 . 0 0 "[ . 1 . 2]" 1
930 1 52 LYS H 1 53 ALA H 3.210 . 3.210 2.508 2.201 2.755 . 0 0 "[ . 1 . 2]" 1
931 1 52 LYS H 1 53 ALA MB 4.880 . 4.880 3.772 3.304 3.942 . 0 0 "[ . 1 . 2]" 1
932 1 52 LYS HA 1 52 LYS QG 3.450 . 3.450 2.881 2.427 3.513 0.063 4 0 "[ . 1 . 2]" 1
933 1 52 LYS QB 1 53 ALA HA 5.320 . 5.320 4.186 3.708 4.553 . 0 0 "[ . 1 . 2]" 1
934 1 52 LYS HB2 1 53 ALA H 4.550 . 4.550 3.904 3.003 4.425 . 0 0 "[ . 1 . 2]" 1
935 1 52 LYS HB3 1 53 ALA H 4.550 . 4.550 4.362 4.014 4.585 0.035 5 0 "[ . 1 . 2]" 1
936 1 53 ALA H 1 53 ALA MB 2.710 . 2.710 2.291 2.225 2.408 . 0 0 "[ . 1 . 2]" 1
937 1 53 ALA H 1 54 GLY H 5.500 . 5.500 4.473 4.316 4.582 . 0 0 "[ . 1 . 2]" 1
938 1 53 ALA H 1 57 GLU QB 5.340 . 5.340 4.687 4.290 4.932 . 0 0 "[ . 1 . 2]" 1
939 1 53 ALA HA 1 54 GLY H 2.730 . 2.730 2.171 2.077 2.259 . 0 0 "[ . 1 . 2]" 1
940 1 53 ALA HA 1 54 GLY QA 4.510 . 4.510 3.875 3.826 3.914 . 0 0 "[ . 1 . 2]" 1
941 1 53 ALA HA 1 57 GLU H 5.130 . 5.130 4.750 4.090 5.071 . 0 0 "[ . 1 . 2]" 1
942 1 53 ALA HA 1 57 GLU HB2 3.730 . 3.730 2.589 2.018 2.985 . 0 0 "[ . 1 . 2]" 1
943 1 53 ALA HA 1 57 GLU QB 3.270 . 3.270 2.479 1.981 2.846 . 0 0 "[ . 1 . 2]" 1
944 1 53 ALA HA 1 57 GLU HB3 3.730 . 3.730 3.209 2.498 3.590 . 0 0 "[ . 1 . 2]" 1
945 1 53 ALA HA 1 57 GLU HG2 5.500 . 5.500 3.941 2.401 4.839 . 0 0 "[ . 1 . 2]" 1
946 1 53 ALA HA 1 57 GLU HG3 5.500 . 5.500 3.860 2.441 4.481 . 0 0 "[ . 1 . 2]" 1
947 1 53 ALA HA 1 58 MET H 5.500 . 5.500 4.789 4.311 5.147 . 0 0 "[ . 1 . 2]" 1
948 1 53 ALA HA 1 58 MET QG 5.500 . 5.500 4.374 4.124 4.555 . 0 0 "[ . 1 . 2]" 1
949 1 53 ALA MB 1 54 GLY H 3.450 . 3.450 2.993 2.719 3.268 . 0 0 "[ . 1 . 2]" 1
950 1 53 ALA MB 1 54 GLY QA 5.340 . 5.340 3.892 3.778 4.008 . 0 0 "[ . 1 . 2]" 1
951 1 53 ALA MB 1 57 GLU H 4.410 . 4.410 4.211 3.960 4.364 . 0 0 "[ . 1 . 2]" 1
952 1 53 ALA MB 1 57 GLU HB2 3.150 . 3.150 2.202 2.009 2.780 . 0 0 "[ . 1 . 2]" 1
953 1 53 ALA MB 1 57 GLU HB3 3.150 . 3.150 2.529 2.319 2.718 . 0 0 "[ . 1 . 2]" 1
954 1 53 ALA MB 1 57 GLU HG2 4.720 . 4.720 4.184 3.458 4.675 . 0 0 "[ . 1 . 2]" 1
955 1 53 ALA MB 1 57 GLU QG 3.850 . 3.850 3.675 3.159 3.981 0.131 20 0 "[ . 1 . 2]" 1
956 1 53 ALA MB 1 57 GLU HG3 4.720 . 4.720 4.196 3.275 4.619 . 0 0 "[ . 1 . 2]" 1
957 1 53 ALA MB 1 58 MET H 3.550 . 3.550 3.131 2.842 3.479 . 0 0 "[ . 1 . 2]" 1
958 1 53 ALA MB 1 58 MET HA 4.290 . 4.290 3.266 2.865 3.792 . 0 0 "[ . 1 . 2]" 1
959 1 53 ALA MB 1 58 MET HB3 4.600 . 4.600 4.656 4.343 4.998 0.398 10 0 "[ . 1 . 2]" 1
960 1 53 ALA MB 1 58 MET QG 3.680 . 3.680 2.438 2.211 2.585 . 0 0 "[ . 1 . 2]" 1
961 1 53 ALA MB 1 61 LEU QD 4.030 . 4.030 2.767 2.361 3.344 . 0 0 "[ . 1 . 2]" 1
962 1 54 GLY H 1 55 PRO HD2 5.130 . 5.130 4.395 4.181 4.475 . 0 0 "[ . 1 . 2]" 1
963 1 54 GLY H 1 55 PRO QD 4.320 . 4.320 4.086 4.007 4.162 . 0 0 "[ . 1 . 2]" 1
964 1 54 GLY H 1 55 PRO HD3 5.130 . 5.130 4.898 4.575 5.175 0.045 16 0 "[ . 1 . 2]" 1
965 1 54 GLY H 1 56 LEU H 4.590 . 4.590 4.490 4.142 4.647 0.057 15 0 "[ . 1 . 2]" 1
966 1 54 GLY H 1 57 GLU H 3.830 . 3.830 3.237 2.860 3.487 . 0 0 "[ . 1 . 2]" 1
967 1 54 GLY H 1 57 GLU HA 5.500 . 5.500 4.907 4.625 5.148 . 0 0 "[ . 1 . 2]" 1
968 1 54 GLY H 1 57 GLU HB2 4.050 . 4.050 2.142 1.796 2.368 0.004 9 0 "[ . 1 . 2]" 1
969 1 54 GLY H 1 57 GLU QB 3.300 . 3.300 2.128 1.788 2.345 0.012 9 0 "[ . 1 . 2]" 1
970 1 54 GLY H 1 57 GLU HB3 4.050 . 4.050 3.668 3.263 3.856 . 0 0 "[ . 1 . 2]" 1
971 1 54 GLY H 1 57 GLU QG 5.340 . 5.340 3.002 2.128 3.322 . 0 0 "[ . 1 . 2]" 1
972 1 54 GLY H 1 58 MET H 4.470 . 4.470 3.810 3.476 4.148 . 0 0 "[ . 1 . 2]" 1
973 1 54 GLY H 1 58 MET QG 4.580 . 4.580 3.913 3.594 4.228 . 0 0 "[ . 1 . 2]" 1
974 1 54 GLY QA 1 55 PRO QD 2.650 . 2.650 2.018 1.952 2.059 . 0 0 "[ . 1 . 2]" 1
975 1 54 GLY QA 1 56 LEU H 3.940 . 3.940 3.581 3.434 3.792 . 0 0 "[ . 1 . 2]" 1
976 1 54 GLY QA 1 56 LEU QD 5.280 . 5.280 4.624 2.762 5.403 0.123 9 0 "[ . 1 . 2]" 1
977 1 54 GLY HA2 1 55 PRO HD2 3.390 . 3.390 3.163 2.848 3.405 0.015 10 0 "[ . 1 . 2]" 1
978 1 54 GLY HA2 1 55 PRO HD3 3.390 . 3.390 2.645 2.320 3.124 . 0 0 "[ . 1 . 2]" 1
979 1 54 GLY HA3 1 55 PRO HD2 3.390 . 3.390 2.261 2.023 2.404 . 0 0 "[ . 1 . 2]" 1
980 1 54 GLY HA3 1 55 PRO HD3 3.390 . 3.390 2.820 2.418 3.198 . 0 0 "[ . 1 . 2]" 1
981 1 55 PRO HA 1 58 MET H 4.170 . 4.170 3.799 3.609 4.042 . 0 0 "[ . 1 . 2]" 1
982 1 55 PRO HA 1 58 MET HB2 4.040 . 4.040 2.737 2.451 3.088 . 0 0 "[ . 1 . 2]" 1
983 1 55 PRO HA 1 59 ALA H 5.500 . 5.500 4.077 3.849 4.453 . 0 0 "[ . 1 . 2]" 1
984 1 55 PRO HB2 1 56 LEU H 3.850 . 3.850 2.704 2.325 3.195 . 0 0 "[ . 1 . 2]" 1
985 1 55 PRO HB2 1 56 LEU HA 4.400 . 4.400 3.927 3.809 4.043 . 0 0 "[ . 1 . 2]" 1
986 1 55 PRO HB3 1 56 LEU H 4.580 . 4.580 3.944 3.753 4.160 . 0 0 "[ . 1 . 2]" 1
987 1 55 PRO QD 1 56 LEU H 3.980 . 3.980 2.897 2.767 3.100 . 0 0 "[ . 1 . 2]" 1
988 1 55 PRO QG 1 56 LEU H 5.030 . 5.030 3.172 2.418 3.819 . 0 0 "[ . 1 . 2]" 1
989 1 56 LEU H 1 56 LEU QB 2.970 . 2.970 2.397 2.200 2.654 . 0 0 "[ . 1 . 2]" 1
990 1 56 LEU H 1 56 LEU QD 4.300 . 4.300 2.825 1.782 3.740 0.018 17 0 "[ . 1 . 2]" 1
991 1 56 LEU H 1 57 GLU H 3.340 . 3.340 2.549 2.367 2.730 . 0 0 "[ . 1 . 2]" 1
992 1 56 LEU HA 1 56 LEU MD1 4.580 . 4.580 3.000 2.073 4.123 . 0 0 "[ . 1 . 2]" 1
993 1 56 LEU HA 1 56 LEU QD 3.460 . 3.460 2.508 2.048 3.415 . 0 0 "[ . 1 . 2]" 1
994 1 56 LEU HA 1 56 LEU MD2 4.580 . 4.580 3.366 2.070 3.912 . 0 0 "[ . 1 . 2]" 1
995 1 56 LEU HA 1 58 MET H 5.500 . 5.500 4.423 4.152 4.578 . 0 0 "[ . 1 . 2]" 1
996 1 56 LEU HA 1 59 ALA H 4.370 . 4.370 3.539 3.305 3.970 . 0 0 "[ . 1 . 2]" 1
997 1 56 LEU QB 1 57 GLU H 3.950 . 3.950 2.598 2.221 3.647 . 0 0 "[ . 1 . 2]" 1
998 1 56 LEU QD 1 57 GLU H 4.410 . 4.410 3.442 2.064 4.023 . 0 0 "[ . 1 . 2]" 1
999 1 56 LEU QD 1 57 GLU QG 4.520 . 4.520 3.657 2.022 4.586 0.066 3 0 "[ . 1 . 2]" 1
1000 1 57 GLU H 1 57 GLU HB2 3.770 . 3.770 2.463 2.255 2.628 . 0 0 "[ . 1 . 2]" 1
1001 1 57 GLU H 1 57 GLU QB 3.020 . 3.020 2.422 2.230 2.568 . 0 0 "[ . 1 . 2]" 1
1002 1 57 GLU H 1 57 GLU HB3 3.770 . 3.770 3.589 3.539 3.623 . 0 0 "[ . 1 . 2]" 1
1003 1 57 GLU H 1 57 GLU HG2 4.080 . 4.080 3.300 2.167 3.878 . 0 0 "[ . 1 . 2]" 1
1004 1 57 GLU H 1 57 GLU QG 3.320 . 3.320 2.450 1.939 3.233 . 0 0 "[ . 1 . 2]" 1
1005 1 57 GLU H 1 57 GLU HG3 4.080 . 4.080 2.846 1.953 3.999 . 0 0 "[ . 1 . 2]" 1
1006 1 57 GLU H 1 58 MET H 3.130 . 3.130 2.576 2.190 2.773 . 0 0 "[ . 1 . 2]" 1
1007 1 57 GLU HA 1 57 GLU HG2 3.840 . 3.840 2.955 2.327 3.754 . 0 0 "[ . 1 . 2]" 1
1008 1 57 GLU HA 1 57 GLU QG 2.990 . 2.990 2.548 2.270 2.987 . 0 0 "[ . 1 . 2]" 1
1009 1 57 GLU HA 1 57 GLU HG3 3.840 . 3.840 3.052 2.504 3.763 . 0 0 "[ . 1 . 2]" 1
1010 1 57 GLU HA 1 61 LEU H 5.500 . 5.500 4.249 3.928 4.654 . 0 0 "[ . 1 . 2]" 1
1011 1 57 GLU QB 1 58 MET H 2.990 . 2.990 2.600 2.408 2.958 . 0 0 "[ . 1 . 2]" 1
1012 1 57 GLU QB 1 60 GLN H 5.340 . 5.340 4.825 4.606 5.073 . 0 0 "[ . 1 . 2]" 1
1013 1 58 MET H 1 58 MET HB2 3.380 . 3.380 2.390 2.313 2.469 . 0 0 "[ . 1 . 2]" 1
1014 1 58 MET H 1 58 MET HB3 3.610 . 3.610 3.598 3.577 3.625 0.015 11 0 "[ . 1 . 2]" 1
1015 1 58 MET H 1 58 MET QG 3.780 . 3.780 2.356 2.214 2.646 . 0 0 "[ . 1 . 2]" 1
1016 1 58 MET H 1 59 ALA H 3.210 . 3.210 2.713 2.615 2.780 . 0 0 "[ . 1 . 2]" 1
1017 1 58 MET H 1 59 ALA MB 4.680 . 4.680 4.331 4.214 4.411 . 0 0 "[ . 1 . 2]" 1
1018 1 58 MET H 1 61 LEU QD 5.440 . 5.440 4.387 3.985 4.769 . 0 0 "[ . 1 . 2]" 1
1019 1 58 MET HA 1 61 LEU H 4.000 . 4.000 3.253 3.124 3.516 . 0 0 "[ . 1 . 2]" 1
1020 1 58 MET HA 1 61 LEU HB2 3.810 . 3.810 2.408 2.271 2.572 . 0 0 "[ . 1 . 2]" 1
1021 1 58 MET HA 1 61 LEU HB3 3.810 . 3.810 3.142 2.322 3.861 0.051 6 0 "[ . 1 . 2]" 1
1022 1 58 MET HA 1 61 LEU QD . . 3.420 2.748 2.466 3.035 . 0 0 "[ . 1 . 2]" 1
1023 1 58 MET HB2 1 59 ALA H 3.850 . 3.850 2.552 2.389 2.691 . 0 0 "[ . 1 . 2]" 1
1024 1 58 MET HB2 1 62 LEU QD 5.440 . 5.440 3.931 3.687 4.227 . 0 0 "[ . 1 . 2]" 1
1025 1 58 MET HB3 1 59 ALA H 3.860 . 3.860 3.435 3.293 3.559 . 0 0 "[ . 1 . 2]" 1
1026 1 58 MET HB3 1 75 ALA MB 5.500 . 5.500 5.580 5.523 5.668 0.168 1 0 "[ . 1 . 2]" 1
1027 1 58 MET QG 1 59 ALA H 4.810 . 4.810 4.090 3.953 4.213 . 0 0 "[ . 1 . 2]" 1
1028 1 58 MET QG 1 61 LEU QD 5.440 . 5.440 3.719 3.311 3.978 . 0 0 "[ . 1 . 2]" 1
1029 1 58 MET QG 1 62 LEU QD 5.440 . 5.440 4.080 3.722 4.602 . 0 0 "[ . 1 . 2]" 1
1030 1 59 ALA H 1 59 ALA MB 3.030 . 3.030 2.219 2.201 2.237 . 0 0 "[ . 1 . 2]" 1
1031 1 59 ALA H 1 60 GLN H 3.730 . 3.730 2.742 2.685 2.878 . 0 0 "[ . 1 . 2]" 1
1032 1 59 ALA H 1 61 LEU H 5.500 . 5.500 3.997 3.825 4.147 . 0 0 "[ . 1 . 2]" 1
1033 1 59 ALA H 1 62 LEU QD 5.010 . 5.010 4.068 3.639 4.323 . 0 0 "[ . 1 . 2]" 1
1034 1 59 ALA HA 1 62 LEU H 4.260 . 4.260 3.787 3.504 4.008 . 0 0 "[ . 1 . 2]" 1
1035 1 59 ALA HA 1 62 LEU HB2 4.460 . 4.460 3.380 2.969 3.896 . 0 0 "[ . 1 . 2]" 1
1036 1 59 ALA HA 1 62 LEU QD 3.070 . 3.070 2.926 2.220 3.145 0.075 14 0 "[ . 1 . 2]" 1
1037 1 59 ALA HA 1 62 LEU HG 5.500 . 5.500 5.163 4.503 5.590 0.090 4 0 "[ . 1 . 2]" 1
1038 1 59 ALA HA 1 71 ALA MB 5.500 . 5.500 4.203 3.918 4.546 . 0 0 "[ . 1 . 2]" 1
1039 1 59 ALA MB 1 60 GLN H 3.150 . 3.150 2.481 2.344 2.694 . 0 0 "[ . 1 . 2]" 1
1040 1 59 ALA MB 1 60 GLN QG 5.500 . 5.500 2.904 2.587 3.074 . 0 0 "[ . 1 . 2]" 1
1041 1 59 ALA MB 1 62 LEU QD 4.730 . 4.730 4.093 3.526 4.319 . 0 0 "[ . 1 . 2]" 1
1042 1 60 GLN H 1 60 GLN HB2 3.540 . 3.540 2.546 2.463 2.649 . 0 0 "[ . 1 . 2]" 1
1043 1 60 GLN H 1 60 GLN QB 3.060 . 3.060 2.496 2.422 2.587 . 0 0 "[ . 1 . 2]" 1
1044 1 60 GLN H 1 60 GLN HB3 3.540 . 3.540 3.600 3.550 3.644 0.104 19 0 "[ . 1 . 2]" 1
1045 1 60 GLN H 1 60 GLN QG 4.330 . 4.330 2.110 1.909 2.329 . 0 0 "[ . 1 . 2]" 1
1046 1 60 GLN H 1 61 LEU H 3.360 . 3.360 2.504 2.402 2.652 . 0 0 "[ . 1 . 2]" 1
1047 1 60 GLN HA 1 60 GLN QG . . 3.550 2.444 2.362 2.561 . 0 0 "[ . 1 . 2]" 1
1048 1 60 GLN HA 1 62 LEU H 4.960 . 4.960 4.710 4.444 4.879 . 0 0 "[ . 1 . 2]" 1
1049 1 60 GLN HA 1 63 ILE H 5.500 . 5.500 3.475 3.336 3.631 . 0 0 "[ . 1 . 2]" 1
1050 1 60 GLN HA 1 63 ILE HB 3.790 . 3.790 3.085 2.921 3.237 . 0 0 "[ . 1 . 2]" 1
1051 1 60 GLN HA 1 63 ILE MG 3.970 . 3.970 2.017 1.910 2.270 . 0 0 "[ . 1 . 2]" 1
1052 1 60 GLN HA 1 64 THR H 4.630 . 4.630 4.147 3.996 4.337 . 0 0 "[ . 1 . 2]" 1
1053 1 60 GLN QB 1 61 LEU H 4.390 . 4.390 2.837 2.482 3.321 . 0 0 "[ . 1 . 2]" 1
1054 1 60 GLN QG 1 61 LEU H 5.500 . 5.500 3.988 3.654 4.249 . 0 0 "[ . 1 . 2]" 1
1055 1 60 GLN QG 1 63 ILE H 5.500 . 5.500 5.393 5.326 5.435 . 0 0 "[ . 1 . 2]" 1
1056 1 61 LEU H 1 61 LEU HB2 3.580 . 3.580 2.272 2.143 2.513 . 0 0 "[ . 1 . 2]" 1
1057 1 61 LEU H 1 61 LEU QB 3.060 . 3.060 2.170 2.073 2.254 . 0 0 "[ . 1 . 2]" 1
1058 1 61 LEU H 1 61 LEU HB3 3.580 . 3.580 3.002 2.495 3.539 . 0 0 "[ . 1 . 2]" 1
1059 1 61 LEU H 1 61 LEU QD 4.710 . 4.710 3.118 2.471 3.687 . 0 0 "[ . 1 . 2]" 1
1060 1 61 LEU H 1 61 LEU HG 4.490 . 4.490 4.338 4.105 4.521 0.031 17 0 "[ . 1 . 2]" 1
1061 1 61 LEU H 1 63 ILE MG 5.230 . 5.230 4.278 3.946 4.597 . 0 0 "[ . 1 . 2]" 1
1062 1 61 LEU HA 1 61 LEU QD . . 3.530 2.234 2.049 2.428 . 0 0 "[ . 1 . 2]" 1
1063 1 61 LEU HA 1 61 LEU HG 3.950 . 3.950 2.731 2.457 3.048 . 0 0 "[ . 1 . 2]" 1
1064 1 61 LEU HA 1 64 THR H 4.450 . 4.450 3.643 3.073 3.920 . 0 0 "[ . 1 . 2]" 1
1065 1 61 LEU HA 1 65 HIS HD2 4.380 . 4.380 3.189 2.751 3.678 . 0 0 "[ . 1 . 2]" 1
1066 1 61 LEU QB 1 62 LEU H 3.900 . 3.900 2.311 1.883 2.895 . 0 0 "[ . 1 . 2]" 1
1067 1 61 LEU QD 1 62 LEU H 5.030 . 5.030 3.772 3.352 4.169 . 0 0 "[ . 1 . 2]" 1
1068 1 61 LEU QD 1 65 HIS HD2 . . 4.390 3.483 2.683 4.224 . 0 0 "[ . 1 . 2]" 1
1069 1 61 LEU HG 1 65 HIS HD2 4.710 . 4.710 3.113 2.103 3.943 . 0 0 "[ . 1 . 2]" 1
1070 1 62 LEU H 1 62 LEU HB2 3.230 . 3.230 2.474 2.337 2.576 . 0 0 "[ . 1 . 2]" 1
1071 1 62 LEU H 1 62 LEU MD1 4.360 . 4.360 2.892 2.077 3.486 . 0 0 "[ . 1 . 2]" 1
1072 1 62 LEU H 1 62 LEU QD 3.370 . 3.370 1.949 1.820 2.137 . 0 0 "[ . 1 . 2]" 1
1073 1 62 LEU H 1 62 LEU MD2 4.360 . 4.360 2.399 1.830 3.700 . 0 0 "[ . 1 . 2]" 1
1074 1 62 LEU H 1 62 LEU HG 3.080 . 3.080 4.002 3.974 4.065 0.985 11 20 [**********+-********] 1
1075 1 62 LEU H 1 63 ILE H 3.710 . 3.710 2.717 2.566 2.815 . 0 0 "[ . 1 . 2]" 1
1076 1 62 LEU H 1 63 ILE MG 5.500 . 5.500 4.619 4.495 4.772 . 0 0 "[ . 1 . 2]" 1
1077 1 62 LEU HA 1 62 LEU HB3 2.900 . 2.900 2.537 2.497 2.588 . 0 0 "[ . 1 . 2]" 1
1078 1 62 LEU HA 1 62 LEU QD 2.880 . 2.880 2.156 2.012 2.444 . 0 0 "[ . 1 . 2]" 1
1079 1 62 LEU HA 1 62 LEU HG 3.940 . 3.940 3.484 2.798 3.807 . 0 0 "[ . 1 . 2]" 1
1080 1 62 LEU HA 1 64 THR H 4.820 . 4.820 4.152 3.979 4.321 . 0 0 "[ . 1 . 2]" 1
1081 1 62 LEU HA 1 65 HIS QB 4.450 . 4.450 3.248 2.708 3.570 . 0 0 "[ . 1 . 2]" 1
1082 1 62 LEU HA 1 65 HIS HD2 4.840 . 4.840 3.868 3.581 4.159 . 0 0 "[ . 1 . 2]" 1
1083 1 62 LEU HA 1 66 PHE QD 3.570 . 3.570 1.993 1.842 2.133 . 0 0 "[ . 1 . 2]" 1
1084 1 62 LEU HA 1 66 PHE QE 4.440 . 4.440 2.870 2.713 3.168 . 0 0 "[ . 1 . 2]" 1
1085 1 62 LEU HB2 1 62 LEU MD1 3.640 . 3.640 3.004 2.511 3.214 . 0 0 "[ . 1 . 2]" 1
1086 1 62 LEU HB2 1 62 LEU QD 3.030 . 3.030 2.176 2.057 2.285 . 0 0 "[ . 1 . 2]" 1
1087 1 62 LEU HB2 1 62 LEU MD2 3.640 . 3.640 2.244 2.166 2.341 . 0 0 "[ . 1 . 2]" 1
1088 1 62 LEU HB2 1 63 ILE H 4.080 . 4.080 2.753 2.572 2.960 . 0 0 "[ . 1 . 2]" 1
1089 1 62 LEU HB2 1 66 PHE QD 4.640 . 4.640 4.151 3.913 4.396 . 0 0 "[ . 1 . 2]" 1
1090 1 62 LEU HB2 1 66 PHE QE 5.500 . 5.500 5.211 4.931 5.471 . 0 0 "[ . 1 . 2]" 1
1091 1 62 LEU HB2 1 71 ALA HA 4.650 . 4.650 3.540 3.321 3.839 . 0 0 "[ . 1 . 2]" 1
1092 1 62 LEU HB2 1 71 ALA MB 4.070 . 4.070 2.289 2.147 2.494 . 0 0 "[ . 1 . 2]" 1
1093 1 62 LEU HB3 1 62 LEU MD1 3.240 . 3.240 2.712 2.393 3.193 . 0 0 "[ . 1 . 2]" 1
1094 1 62 LEU HB3 1 62 LEU MD2 3.240 . 3.240 2.932 2.331 3.177 . 0 0 "[ . 1 . 2]" 1
1095 1 62 LEU HB3 1 63 ILE H 4.970 . 4.970 3.592 3.291 3.851 . 0 0 "[ . 1 . 2]" 1
1096 1 62 LEU HB3 1 66 PHE QD 4.570 . 4.570 2.836 2.589 3.079 . 0 0 "[ . 1 . 2]" 1
1097 1 62 LEU QD 1 63 ILE H 3.690 . 3.690 3.753 3.707 3.818 0.128 3 0 "[ . 1 . 2]" 1
1098 1 62 LEU QD 1 66 PHE HB2 4.950 . 4.950 4.257 3.875 4.612 . 0 0 "[ . 1 . 2]" 1
1099 1 62 LEU QD 1 66 PHE QD 3.600 . 3.600 2.887 2.500 3.499 . 0 0 "[ . 1 . 2]" 1
1100 1 62 LEU QD 1 66 PHE QE 3.360 . 3.360 2.306 1.867 3.084 . 0 0 "[ . 1 . 2]" 1
1101 1 62 LEU QD 1 71 ALA HA 3.920 . 3.920 3.431 2.873 3.930 0.010 17 0 "[ . 1 . 2]" 1
1102 1 62 LEU QD 1 71 ALA MB 3.610 . 3.610 3.286 2.750 3.553 . 0 0 "[ . 1 . 2]" 1
1103 1 62 LEU QD 1 74 LEU HB3 5.440 . 5.440 3.081 2.561 3.887 . 0 0 "[ . 1 . 2]" 1
1104 1 62 LEU QD 1 74 LEU QD 4.120 . 4.120 3.480 2.895 4.103 . 0 0 "[ . 1 . 2]" 1
1105 1 62 LEU QD 1 75 ALA H 5.440 . 5.440 4.138 3.002 4.861 . 0 0 "[ . 1 . 2]" 1
1106 1 62 LEU QD 1 75 ALA HA 5.440 . 5.440 4.051 2.997 4.712 . 0 0 "[ . 1 . 2]" 1
1107 1 62 LEU MD1 1 71 ALA HA 4.650 . 4.650 4.042 3.236 4.739 0.089 4 0 "[ . 1 . 2]" 1
1108 1 62 LEU MD2 1 71 ALA HA 4.650 . 4.650 4.204 2.900 4.732 0.082 7 0 "[ . 1 . 2]" 1
1109 1 62 LEU HG 1 63 ILE H 5.500 . 5.500 5.225 5.130 5.380 . 0 0 "[ . 1 . 2]" 1
1110 1 62 LEU HG 1 66 PHE QE 4.710 . 4.710 4.066 2.608 4.762 0.052 12 0 "[ . 1 . 2]" 1
1111 1 62 LEU HG 1 71 ALA MB 5.500 . 5.500 3.795 3.486 4.101 . 0 0 "[ . 1 . 2]" 1
1112 1 63 ILE H 1 63 ILE HB 3.090 . 3.090 2.203 2.148 2.237 . 0 0 "[ . 1 . 2]" 1
1113 1 63 ILE H 1 63 ILE MD 4.490 . 4.490 4.387 4.357 4.413 . 0 0 "[ . 1 . 2]" 1
1114 1 63 ILE H 1 63 ILE HG12 4.010 . 4.010 4.049 4.014 4.069 0.059 15 0 "[ . 1 . 2]" 1
1115 1 63 ILE H 1 63 ILE HG13 4.660 . 4.660 4.530 4.493 4.552 . 0 0 "[ . 1 . 2]" 1
1116 1 63 ILE H 1 63 ILE MG 3.290 . 3.290 2.727 2.601 2.835 . 0 0 "[ . 1 . 2]" 1
1117 1 63 ILE H 1 64 THR H 3.380 . 3.380 2.657 2.582 2.723 . 0 0 "[ . 1 . 2]" 1
1118 1 63 ILE H 1 64 THR HA 5.500 . 5.500 5.252 5.192 5.316 . 0 0 "[ . 1 . 2]" 1
1119 1 63 ILE H 1 71 ALA MB 4.000 . 4.000 2.979 2.891 3.116 . 0 0 "[ . 1 . 2]" 1
1120 1 63 ILE HA 1 63 ILE MD 2.910 . 2.910 2.571 2.424 2.626 . 0 0 "[ . 1 . 2]" 1
1121 1 63 ILE HA 1 63 ILE HG12 3.480 . 3.480 2.304 2.244 2.357 . 0 0 "[ . 1 . 2]" 1
1122 1 63 ILE HA 1 63 ILE HG13 3.830 . 3.830 3.611 3.591 3.630 . 0 0 "[ . 1 . 2]" 1
1123 1 63 ILE HA 1 63 ILE MG 3.440 . 3.440 3.201 3.167 3.216 . 0 0 "[ . 1 . 2]" 1
1124 1 63 ILE HA 1 66 PHE H 4.630 . 4.630 4.262 4.054 4.440 . 0 0 "[ . 1 . 2]" 1
1125 1 63 ILE HA 1 66 PHE HB2 4.560 . 4.560 3.993 3.887 4.095 . 0 0 "[ . 1 . 2]" 1
1126 1 63 ILE HA 1 66 PHE HB3 5.500 . 5.500 5.487 5.350 5.549 0.049 5 0 "[ . 1 . 2]" 1
1127 1 63 ILE HA 1 67 GLY H 3.870 . 3.870 2.708 2.539 2.871 . 0 0 "[ . 1 . 2]" 1
1128 1 63 ILE HA 1 67 GLY QA 4.190 . 4.190 3.671 3.490 3.786 . 0 0 "[ . 1 . 2]" 1
1129 1 63 ILE HA 1 68 PRO HA 4.230 . 4.230 3.639 3.346 3.900 . 0 0 "[ . 1 . 2]" 1
1130 1 63 ILE HA 1 71 ALA H 4.680 . 4.680 3.865 3.697 4.060 . 0 0 "[ . 1 . 2]" 1
1131 1 63 ILE HA 1 71 ALA MB 3.070 . 3.070 2.038 1.920 2.169 . 0 0 "[ . 1 . 2]" 1
1132 1 63 ILE HB 1 63 ILE MD 3.240 . 3.240 3.251 3.243 3.258 0.018 9 0 "[ . 1 . 2]" 1
1133 1 63 ILE HB 1 64 THR H 3.780 . 3.780 3.787 3.737 3.810 0.030 5 0 "[ . 1 . 2]" 1
1134 1 63 ILE HB 1 64 THR MG 5.500 . 5.500 6.551 6.449 6.618 1.118 8 20 [****-**+************] 1
1135 1 63 ILE HB 1 68 PRO HA 4.980 . 4.980 4.526 4.360 4.797 . 0 0 "[ . 1 . 2]" 1
1136 1 63 ILE HB 1 71 ALA H 5.500 . 5.500 5.862 5.727 6.106 0.606 11 1 "[ . 1+ . 2]" 1
1137 1 63 ILE HB 1 71 ALA MB 5.500 . 5.500 3.172 3.099 3.264 . 0 0 "[ . 1 . 2]" 1
1138 1 63 ILE MD 1 64 THR H 5.500 . 5.500 4.178 4.092 4.309 . 0 0 "[ . 1 . 2]" 1
1139 1 63 ILE MD 1 64 THR HA 4.410 . 4.410 3.845 3.659 4.093 . 0 0 "[ . 1 . 2]" 1
1140 1 63 ILE MD 1 65 HIS H 5.330 . 5.330 5.392 4.945 5.519 0.189 5 0 "[ . 1 . 2]" 1
1141 1 63 ILE MD 1 67 GLY H 4.650 . 4.650 3.844 3.523 4.067 . 0 0 "[ . 1 . 2]" 1
1142 1 63 ILE MD 1 67 GLY HA2 4.810 . 4.810 3.011 2.729 3.146 . 0 0 "[ . 1 . 2]" 1
1143 1 63 ILE MD 1 67 GLY QA 4.010 . 4.010 2.949 2.688 3.075 . 0 0 "[ . 1 . 2]" 1
1144 1 63 ILE MD 1 67 GLY HA3 4.810 . 4.810 4.225 4.033 4.331 . 0 0 "[ . 1 . 2]" 1
1145 1 63 ILE MD 1 68 PRO HA 3.160 . 3.160 2.230 2.046 2.489 . 0 0 "[ . 1 . 2]" 1
1146 1 63 ILE MD 1 68 PRO HB2 4.780 . 4.780 3.821 3.622 4.009 . 0 0 "[ . 1 . 2]" 1
1147 1 63 ILE MD 1 68 PRO HB3 3.680 . 3.680 2.450 2.136 2.786 . 0 0 "[ . 1 . 2]" 1
1148 1 63 ILE MD 1 68 PRO HD2 4.010 . 4.010 3.919 3.794 4.019 0.009 20 0 "[ . 1 . 2]" 1
1149 1 63 ILE MD 1 68 PRO QD 3.310 . 3.310 2.689 2.529 2.888 . 0 0 "[ . 1 . 2]" 1
1150 1 63 ILE MD 1 68 PRO HD3 4.010 . 4.010 2.739 2.568 2.961 . 0 0 "[ . 1 . 2]" 1
1151 1 63 ILE MD 1 68 PRO HG2 4.730 . 4.730 4.299 3.653 4.503 . 0 0 "[ . 1 . 2]" 1
1152 1 63 ILE MD 1 68 PRO HG3 4.730 . 4.730 3.494 2.163 3.844 . 0 0 "[ . 1 . 2]" 1
1153 1 63 ILE MD 1 71 ALA H 4.610 . 4.610 4.842 4.677 4.901 0.291 1 0 "[ . 1 . 2]" 1
1154 1 63 ILE MD 1 71 ALA MB 3.520 . 3.520 3.679 3.506 3.751 0.231 17 0 "[ . 1 . 2]" 1
1155 1 63 ILE HG12 1 68 PRO HA 4.420 . 4.420 2.083 1.949 2.321 . 0 0 "[ . 1 . 2]" 1
1156 1 63 ILE HG13 1 68 PRO HA 3.840 . 3.840 3.206 3.062 3.406 . 0 0 "[ . 1 . 2]" 1
1157 1 63 ILE HG13 1 68 PRO HB2 5.500 . 5.500 5.464 5.337 5.537 0.037 11 0 "[ . 1 . 2]" 1
1158 1 63 ILE HG13 1 71 ALA MB 4.000 . 4.000 4.000 3.895 4.034 0.034 1 0 "[ . 1 . 2]" 1
1159 1 63 ILE MG 1 64 THR H 3.660 . 3.660 2.446 2.374 2.606 . 0 0 "[ . 1 . 2]" 1
1160 1 63 ILE MG 1 64 THR HA 3.400 . 3.400 3.139 3.059 3.190 . 0 0 "[ . 1 . 2]" 1
1161 1 63 ILE MG 1 65 HIS H 4.760 . 4.760 4.516 4.409 4.608 . 0 0 "[ . 1 . 2]" 1
1162 1 64 THR H 1 64 THR HB 3.140 . 3.140 2.505 2.411 2.570 . 0 0 "[ . 1 . 2]" 1
1163 1 64 THR H 1 64 THR MG 3.620 . 3.620 3.775 3.755 3.788 0.168 13 0 "[ . 1 . 2]" 1
1164 1 64 THR H 1 65 HIS H 3.460 . 3.460 2.489 2.306 2.593 . 0 0 "[ . 1 . 2]" 1
1165 1 64 THR H 1 65 HIS HA 5.500 . 5.500 5.120 4.958 5.195 . 0 0 "[ . 1 . 2]" 1
1166 1 64 THR HA 1 64 THR MG 3.310 . 3.310 2.403 2.361 2.455 . 0 0 "[ . 1 . 2]" 1
1167 1 64 THR HB 1 65 HIS H 4.490 . 4.490 2.760 2.473 3.183 . 0 0 "[ . 1 . 2]" 1
1168 1 64 THR HB 1 65 HIS HD2 5.020 . 5.020 3.218 2.564 3.897 . 0 0 "[ . 1 . 2]" 1
1169 1 64 THR MG 1 65 HIS H 3.680 . 3.680 3.608 3.431 3.890 0.210 6 0 "[ . 1 . 2]" 1
1170 1 64 THR MG 1 65 HIS HA 4.080 . 4.080 3.538 3.446 3.785 . 0 0 "[ . 1 . 2]" 1
1171 1 64 THR MG 1 65 HIS HD2 4.470 . 4.470 4.186 3.623 4.710 0.240 3 0 "[ . 1 . 2]" 1
1172 1 65 HIS H 1 65 HIS HB2 3.920 . 3.920 2.513 2.399 2.630 . 0 0 "[ . 1 . 2]" 1
1173 1 65 HIS H 1 65 HIS QB 3.060 . 3.060 2.472 2.366 2.581 . 0 0 "[ . 1 . 2]" 1
1174 1 65 HIS H 1 65 HIS HB3 3.920 . 3.920 3.678 3.618 3.756 . 0 0 "[ . 1 . 2]" 1
1175 1 65 HIS H 1 65 HIS HD2 4.000 . 4.000 2.910 2.607 3.291 . 0 0 "[ . 1 . 2]" 1
1176 1 65 HIS H 1 66 PHE H 3.250 . 3.250 2.520 2.293 2.774 . 0 0 "[ . 1 . 2]" 1
1177 1 65 HIS H 1 66 PHE QD 4.340 . 4.340 3.781 3.524 4.182 . 0 0 "[ . 1 . 2]" 1
1178 1 65 HIS HA 1 65 HIS HD2 4.540 . 4.540 4.224 3.767 4.518 . 0 0 "[ . 1 . 2]" 1
1179 1 65 HIS QB 1 66 PHE H 3.550 . 3.550 2.433 2.092 2.639 . 0 0 "[ . 1 . 2]" 1
1180 1 65 HIS QB 1 66 PHE HA 4.910 . 4.910 3.901 3.617 4.049 . 0 0 "[ . 1 . 2]" 1
1181 1 65 HIS QB 1 66 PHE QD 4.440 . 4.440 2.877 2.524 3.254 . 0 0 "[ . 1 . 2]" 1
1182 1 65 HIS QB 1 66 PHE QE 4.550 . 4.550 3.192 2.837 3.599 . 0 0 "[ . 1 . 2]" 1
1183 1 65 HIS HB2 1 66 PHE H 4.200 . 4.200 2.489 2.135 2.708 . 0 0 "[ . 1 . 2]" 1
1184 1 65 HIS HB3 1 66 PHE H 4.200 . 4.200 3.430 2.999 3.649 . 0 0 "[ . 1 . 2]" 1
1185 1 65 HIS HD2 1 66 PHE QD 5.400 . 5.400 4.792 4.676 4.835 . 0 0 "[ . 1 . 2]" 1
1186 1 65 HIS HD2 1 66 PHE QE 5.500 . 5.500 4.758 4.447 5.074 . 0 0 "[ . 1 . 2]" 1
1187 1 66 PHE H 1 66 PHE HB2 3.520 . 3.520 2.422 2.385 2.461 . 0 0 "[ . 1 . 2]" 1
1188 1 66 PHE H 1 66 PHE HB3 3.750 . 3.750 3.571 3.527 3.597 . 0 0 "[ . 1 . 2]" 1
1189 1 66 PHE H 1 66 PHE QD 3.840 . 3.840 2.188 1.866 2.611 . 0 0 "[ . 1 . 2]" 1
1190 1 66 PHE H 1 66 PHE HZ 5.500 . 5.500 5.621 5.557 5.680 0.180 5 0 "[ . 1 . 2]" 1
1191 1 66 PHE H 1 67 GLY H 3.270 . 3.270 2.747 2.599 2.943 . 0 0 "[ . 1 . 2]" 1
1192 1 66 PHE H 1 67 GLY QA 5.220 . 5.220 4.459 4.343 4.554 . 0 0 "[ . 1 . 2]" 1
1193 1 66 PHE HA 1 66 PHE QD 3.220 . 3.220 2.809 2.435 3.078 . 0 0 "[ . 1 . 2]" 1
1194 1 66 PHE HA 1 66 PHE QE 5.500 . 5.500 4.515 4.317 4.659 . 0 0 "[ . 1 . 2]" 1
1195 1 66 PHE HA 1 67 GLY QA 4.680 . 4.680 4.210 4.185 4.244 . 0 0 "[ . 1 . 2]" 1
1196 1 66 PHE HA 1 70 GLU QB 4.390 . 4.390 3.647 3.432 3.859 . 0 0 "[ . 1 . 2]" 1
1197 1 66 PHE HA 1 71 ALA H 5.500 . 5.500 5.536 5.445 5.566 0.066 1 0 "[ . 1 . 2]" 1
1198 1 66 PHE HB2 1 67 GLY H 4.290 . 4.290 2.235 1.910 2.472 . 0 0 "[ . 1 . 2]" 1
1199 1 66 PHE HB2 1 70 GLU QB 3.990 . 3.990 2.928 2.743 3.111 . 0 0 "[ . 1 . 2]" 1
1200 1 66 PHE HB2 1 71 ALA H 5.500 . 5.500 3.245 3.060 3.314 . 0 0 "[ . 1 . 2]" 1
1201 1 66 PHE HB2 1 71 ALA HA 4.070 . 4.070 2.854 2.597 3.102 . 0 0 "[ . 1 . 2]" 1
1202 1 66 PHE HB2 1 71 ALA MB 3.720 . 3.720 2.951 2.730 3.084 . 0 0 "[ . 1 . 2]" 1
1203 1 66 PHE HB2 1 74 LEU HG 5.500 . 5.500 4.119 3.951 4.431 . 0 0 "[ . 1 . 2]" 1
1204 1 66 PHE HB3 1 70 GLU H 4.980 . 4.980 4.746 4.616 4.965 . 0 0 "[ . 1 . 2]" 1
1205 1 66 PHE HB3 1 70 GLU HA 5.500 . 5.500 4.294 4.131 4.483 . 0 0 "[ . 1 . 2]" 1
1206 1 66 PHE HB3 1 70 GLU HB2 3.700 . 3.700 3.587 3.375 3.755 0.055 18 0 "[ . 1 . 2]" 1
1207 1 66 PHE HB3 1 70 GLU HB3 3.700 . 3.700 2.117 1.949 2.343 . 0 0 "[ . 1 . 2]" 1
1208 1 66 PHE HB3 1 70 GLU QG 3.650 . 3.650 2.036 1.849 2.263 . 0 0 "[ . 1 . 2]" 1
1209 1 66 PHE HB3 1 71 ALA H 3.810 . 3.810 3.636 3.574 3.721 . 0 0 "[ . 1 . 2]" 1
1210 1 66 PHE HB3 1 71 ALA HA 4.930 . 4.930 3.734 3.436 4.077 . 0 0 "[ . 1 . 2]" 1
1211 1 66 PHE HB3 1 71 ALA MB 4.760 . 4.760 4.172 4.017 4.299 . 0 0 "[ . 1 . 2]" 1
1212 1 66 PHE HB3 1 74 LEU HB2 5.470 . 5.470 4.434 3.906 4.876 . 0 0 "[ . 1 . 2]" 1
1213 1 66 PHE QD 1 70 GLU HA 5.500 . 5.500 5.517 5.408 5.590 0.090 18 0 "[ . 1 . 2]" 1
1214 1 66 PHE QD 1 70 GLU QB 5.340 . 5.340 3.923 3.815 4.140 . 0 0 "[ . 1 . 2]" 1
1215 1 66 PHE QD 1 70 GLU HG2 4.740 . 4.740 3.011 2.427 3.501 . 0 0 "[ . 1 . 2]" 1
1216 1 66 PHE QD 1 70 GLU QG 4.070 . 4.070 2.633 2.403 2.873 . 0 0 "[ . 1 . 2]" 1
1217 1 66 PHE QD 1 70 GLU HG3 4.740 . 4.740 3.012 2.669 3.909 . 0 0 "[ . 1 . 2]" 1
1218 1 66 PHE QD 1 71 ALA HA 4.290 . 4.290 3.610 3.065 4.017 . 0 0 "[ . 1 . 2]" 1
1219 1 66 PHE QD 1 71 ALA MB 4.220 . 4.220 3.779 3.509 4.029 . 0 0 "[ . 1 . 2]" 1
1220 1 66 PHE QD 1 74 LEU QD . . 4.440 2.763 2.591 2.963 . 0 0 "[ . 1 . 2]" 1
1221 1 66 PHE QE 1 74 LEU QD . . 3.810 2.761 2.592 2.913 . 0 0 "[ . 1 . 2]" 1
1222 1 66 PHE QE 1 74 LEU HG 5.500 . 5.500 3.157 2.933 3.507 . 0 0 "[ . 1 . 2]" 1
1223 1 66 PHE HZ 1 74 LEU QD 4.600 . 4.600 3.328 2.981 3.696 . 0 0 "[ . 1 . 2]" 1
1224 1 67 GLY H 1 68 PRO QD 4.860 . 4.860 4.301 4.258 4.356 . 0 0 "[ . 1 . 2]" 1
1225 1 67 GLY H 1 71 ALA MB 5.500 . 5.500 2.873 2.635 3.085 . 0 0 "[ . 1 . 2]" 1
1226 1 67 GLY QA 1 68 PRO QD 2.590 . 2.590 2.094 2.056 2.128 . 0 0 "[ . 1 . 2]" 1
1227 1 67 GLY QA 1 68 PRO QG 4.670 . 4.670 3.742 3.674 3.812 . 0 0 "[ . 1 . 2]" 1
1228 1 67 GLY QA 1 69 GLU H 5.340 . 5.340 3.902 3.541 4.134 . 0 0 "[ . 1 . 2]" 1
1229 1 67 GLY QA 1 70 GLU QB 4.720 . 4.720 2.802 2.554 2.896 . 0 0 "[ . 1 . 2]" 1
1230 1 67 GLY QA 1 71 ALA H 5.340 . 5.340 3.788 3.712 3.855 . 0 0 "[ . 1 . 2]" 1
1231 1 67 GLY HA2 1 68 PRO HD2 3.440 . 3.440 2.858 2.711 3.363 . 0 0 "[ . 1 . 2]" 1
1232 1 67 GLY HA2 1 68 PRO HD3 3.440 . 3.440 2.564 2.257 2.714 . 0 0 "[ . 1 . 2]" 1
1233 1 67 GLY HA3 1 68 PRO HD2 3.440 . 3.440 2.436 2.277 2.926 . 0 0 "[ . 1 . 2]" 1
1234 1 67 GLY HA3 1 68 PRO HD3 3.440 . 3.440 3.226 2.865 3.300 . 0 0 "[ . 1 . 2]" 1
1235 1 68 PRO HA 1 71 ALA H 4.780 . 4.780 4.095 3.767 4.251 . 0 0 "[ . 1 . 2]" 1
1236 1 68 PRO HA 1 71 ALA MB 3.410 . 3.410 3.311 2.915 3.444 0.034 18 0 "[ . 1 . 2]" 1
1237 1 68 PRO HB2 1 69 GLU H 3.030 . 3.030 2.659 2.114 3.038 0.008 5 0 "[ . 1 . 2]" 1
1238 1 68 PRO HB3 1 69 GLU H 4.290 . 4.290 3.866 3.621 4.053 . 0 0 "[ . 1 . 2]" 1
1239 1 68 PRO HB3 1 71 ALA MB 5.500 . 5.500 5.240 4.790 5.374 . 0 0 "[ . 1 . 2]" 1
1240 1 68 PRO QD 1 69 GLU H 3.460 . 3.460 2.955 2.473 3.216 . 0 0 "[ . 1 . 2]" 1
1241 1 68 PRO HD2 1 69 GLU H 4.170 . 4.170 3.034 2.498 3.337 . 0 0 "[ . 1 . 2]" 1
1242 1 68 PRO HD3 1 69 GLU H 4.170 . 4.170 4.108 3.949 4.209 0.039 1 0 "[ . 1 . 2]" 1
1243 1 68 PRO QG 1 69 GLU H 3.680 . 3.680 2.369 1.982 3.262 . 0 0 "[ . 1 . 2]" 1
1244 1 69 GLU H 1 69 GLU QB 3.590 . 3.590 2.485 2.278 2.789 . 0 0 "[ . 1 . 2]" 1
1245 1 69 GLU H 1 69 GLU HG2 3.930 . 3.930 3.287 1.805 3.940 0.010 6 0 "[ . 1 . 2]" 1
1246 1 69 GLU H 1 69 GLU QG 3.640 . 3.640 2.432 1.790 3.337 0.010 1 0 "[ . 1 . 2]" 1
1247 1 69 GLU H 1 69 GLU HG3 3.930 . 3.930 2.814 2.098 3.877 . 0 0 "[ . 1 . 2]" 1
1248 1 69 GLU H 1 70 GLU H 3.090 . 3.090 2.293 2.036 2.575 . 0 0 "[ . 1 . 2]" 1
1249 1 69 GLU HA 1 69 GLU HG2 4.150 . 4.150 2.991 2.509 3.614 . 0 0 "[ . 1 . 2]" 1
1250 1 69 GLU HA 1 69 GLU QG 3.430 . 3.430 2.590 2.344 3.153 . 0 0 "[ . 1 . 2]" 1
1251 1 69 GLU HA 1 69 GLU HG3 4.150 . 4.150 3.085 2.375 3.708 . 0 0 "[ . 1 . 2]" 1
1252 1 69 GLU HA 1 72 TRP H 4.460 . 4.460 3.526 2.863 3.893 . 0 0 "[ . 1 . 2]" 1
1253 1 69 GLU HA 1 72 TRP HB3 3.730 . 3.730 2.867 2.363 3.255 . 0 0 "[ . 1 . 2]" 1
1254 1 69 GLU HA 1 72 TRP HD1 4.520 . 4.520 4.127 3.671 4.499 . 0 0 "[ . 1 . 2]" 1
1255 1 69 GLU HA 1 73 ARG H 5.130 . 5.130 4.201 3.903 4.487 . 0 0 "[ . 1 . 2]" 1
1256 1 69 GLU QG 1 70 GLU H 4.290 . 4.290 3.987 2.549 4.358 0.068 6 0 "[ . 1 . 2]" 1
1257 1 70 GLU H 1 70 GLU HB2 3.590 . 3.590 2.319 2.186 2.435 . 0 0 "[ . 1 . 2]" 1
1258 1 70 GLU H 1 70 GLU QB 2.840 . 2.840 2.191 2.115 2.256 . 0 0 "[ . 1 . 2]" 1
1259 1 70 GLU H 1 70 GLU HB3 3.590 . 3.590 2.707 2.623 2.829 . 0 0 "[ . 1 . 2]" 1
1260 1 70 GLU H 1 70 GLU HG2 4.770 . 4.770 4.570 4.499 4.609 . 0 0 "[ . 1 . 2]" 1
1261 1 70 GLU H 1 70 GLU HG3 4.770 . 4.770 4.490 4.305 4.534 . 0 0 "[ . 1 . 2]" 1
1262 1 70 GLU H 1 71 ALA H 3.140 . 3.140 2.632 2.403 2.786 . 0 0 "[ . 1 . 2]" 1
1263 1 70 GLU H 1 73 ARG H 4.930 . 4.930 4.699 4.598 4.816 . 0 0 "[ . 1 . 2]" 1
1264 1 70 GLU HA 1 70 GLU QG 3.480 . 3.480 2.708 2.312 2.839 . 0 0 "[ . 1 . 2]" 1
1265 1 70 GLU HA 1 73 ARG H 3.760 . 3.760 3.415 3.236 3.551 . 0 0 "[ . 1 . 2]" 1
1266 1 70 GLU HA 1 73 ARG HA 5.500 . 5.500 5.335 5.185 5.524 0.024 5 0 "[ . 1 . 2]" 1
1267 1 70 GLU HA 1 73 ARG QB 3.100 . 3.100 2.585 2.369 2.895 . 0 0 "[ . 1 . 2]" 1
1268 1 70 GLU HA 1 73 ARG QD 4.750 . 4.750 3.772 2.828 4.727 . 0 0 "[ . 1 . 2]" 1
1269 1 70 GLU HA 1 73 ARG QG 5.340 . 5.340 4.544 4.224 4.985 . 0 0 "[ . 1 . 2]" 1
1270 1 70 GLU HA 1 74 LEU H 4.760 . 4.760 3.894 3.754 4.063 . 0 0 "[ . 1 . 2]" 1
1271 1 70 GLU HA 1 74 LEU QD 4.260 . 4.260 3.440 3.237 3.787 . 0 0 "[ . 1 . 2]" 1
1272 1 70 GLU QB 1 70 GLU QG 2.360 . 2.360 2.012 1.994 2.088 . 0 0 "[ . 1 . 2]" 1
1273 1 70 GLU QB 1 71 ALA H 3.290 . 3.290 2.510 2.291 2.702 . 0 0 "[ . 1 . 2]" 1
1274 1 70 GLU QB 1 71 ALA MB 5.340 . 5.340 3.893 3.725 4.038 . 0 0 "[ . 1 . 2]" 1
1275 1 70 GLU HB2 1 71 ALA H 3.770 . 3.770 3.683 3.529 3.808 0.038 17 0 "[ . 1 . 2]" 1
1276 1 70 GLU HB3 1 71 ALA H 3.770 . 3.770 2.556 2.321 2.768 . 0 0 "[ . 1 . 2]" 1
1277 1 70 GLU QG 1 71 ALA H 5.110 . 5.110 3.927 3.745 4.197 . 0 0 "[ . 1 . 2]" 1
1278 1 70 GLU QG 1 74 LEU QD 3.780 . 3.780 2.086 1.957 2.490 . 0 0 "[ . 1 . 2]" 1
1279 1 71 ALA H 1 71 ALA MB 2.860 . 2.860 2.210 2.161 2.259 . 0 0 "[ . 1 . 2]" 1
1280 1 71 ALA H 1 72 TRP H 3.400 . 3.400 2.768 2.608 2.877 . 0 0 "[ . 1 . 2]" 1
1281 1 71 ALA H 1 74 LEU HG 5.500 . 5.500 5.781 5.575 5.911 0.411 4 0 "[ . 1 . 2]" 1
1282 1 71 ALA HA 1 74 LEU H 5.500 . 5.500 3.601 3.404 3.843 . 0 0 "[ . 1 . 2]" 1
1283 1 71 ALA HA 1 74 LEU HB2 3.250 . 3.250 2.523 2.291 2.705 . 0 0 "[ . 1 . 2]" 1
1284 1 71 ALA HA 1 74 LEU HB3 4.000 . 4.000 3.830 3.518 3.929 . 0 0 "[ . 1 . 2]" 1
1285 1 71 ALA HA 1 74 LEU QD 4.270 . 4.270 3.673 3.331 3.936 . 0 0 "[ . 1 . 2]" 1
1286 1 71 ALA HA 1 74 LEU HG 4.320 . 4.320 3.883 3.623 4.033 . 0 0 "[ . 1 . 2]" 1
1287 1 71 ALA MB 1 72 TRP H 3.410 . 3.410 2.324 2.150 2.487 . 0 0 "[ . 1 . 2]" 1
1288 1 71 ALA MB 1 72 TRP HA 4.940 . 4.940 3.703 3.657 3.757 . 0 0 "[ . 1 . 2]" 1
1289 1 71 ALA MB 1 73 ARG H 5.160 . 5.160 4.455 4.310 4.623 . 0 0 "[ . 1 . 2]" 1
1290 1 72 TRP H 1 72 TRP QB 3.080 . 3.080 2.248 2.186 2.300 . 0 0 "[ . 1 . 2]" 1
1291 1 72 TRP H 1 72 TRP HB3 3.340 . 3.340 2.414 2.320 2.487 . 0 0 "[ . 1 . 2]" 1
1292 1 72 TRP H 1 73 ARG H 3.330 . 3.330 2.687 2.628 2.779 . 0 0 "[ . 1 . 2]" 1
1293 1 72 TRP H 1 73 ARG QB 5.030 . 5.030 4.407 4.270 4.555 . 0 0 "[ . 1 . 2]" 1
1294 1 72 TRP HA 1 72 TRP HE3 3.190 . 3.190 2.008 1.910 2.117 . 0 0 "[ . 1 . 2]" 1
1295 1 72 TRP HA 1 75 ALA H 4.170 . 4.170 3.443 3.323 3.603 . 0 0 "[ . 1 . 2]" 1
1296 1 72 TRP HA 1 75 ALA MB 3.730 . 3.730 2.915 2.701 3.147 . 0 0 "[ . 1 . 2]" 1
1297 1 72 TRP QB 1 72 TRP HD1 3.580 . 3.580 2.497 2.479 2.516 . 0 0 "[ . 1 . 2]" 1
1298 1 72 TRP QB 1 73 ARG H 3.490 . 3.490 2.599 2.399 2.696 . 0 0 "[ . 1 . 2]" 1
1299 1 72 TRP HB3 1 73 ARG H 4.340 . 4.340 2.636 2.425 2.739 . 0 0 "[ . 1 . 2]" 1
1300 1 72 TRP HB3 1 73 ARG QB 5.340 . 5.340 4.139 3.862 4.294 . 0 0 "[ . 1 . 2]" 1
1301 1 72 TRP HD1 1 73 ARG HA 4.780 . 4.780 4.649 4.250 4.801 0.021 1 0 "[ . 1 . 2]" 1
1302 1 72 TRP HE1 1 76 LEU QD 3.900 . 3.900 2.759 2.633 2.883 . 0 0 "[ . 1 . 2]" 1
1303 1 72 TRP HE1 1 76 LEU HG 5.500 . 5.500 5.470 5.245 5.553 0.053 8 0 "[ . 1 . 2]" 1
1304 1 72 TRP HE3 1 73 ARG HA 5.500 . 5.500 5.571 5.514 5.628 0.128 4 0 "[ . 1 . 2]" 1
1305 1 72 TRP HE3 1 75 ALA MB 3.750 . 3.750 2.754 2.446 3.107 . 0 0 "[ . 1 . 2]" 1
1306 1 72 TRP HE3 1 76 LEU QB 5.500 . 5.500 4.153 3.861 4.592 . 0 0 "[ . 1 . 2]" 1
1307 1 72 TRP HH2 1 91 GLY QA 4.570 . 4.570 2.526 2.235 3.086 . 0 0 "[ . 1 . 2]" 1
1308 1 72 TRP HZ2 1 76 LEU QB 5.500 . 5.500 3.538 3.327 4.027 . 0 0 "[ . 1 . 2]" 1
1309 1 72 TRP HZ2 1 76 LEU QD 4.030 . 4.030 2.948 2.844 3.077 . 0 0 "[ . 1 . 2]" 1
1310 1 72 TRP HZ2 1 76 LEU HG 5.500 . 5.500 5.575 5.528 5.626 0.126 8 0 "[ . 1 . 2]" 1
1311 1 72 TRP HZ2 1 91 GLY QA . . 3.550 2.027 1.803 2.423 . 0 0 "[ . 1 . 2]" 1
1312 1 72 TRP HZ2 1 94 GLU QB 4.850 . 4.850 8.605 5.174 10.653 5.803 7 19 "[*** **+**-**********]" 1
1313 1 72 TRP HZ2 1 94 GLU QG 3.970 . 3.970 7.551 5.191 9.654 5.684 18 20 [*****-***********+**] 1
1314 1 72 TRP HZ3 1 75 ALA MB 4.800 . 4.800 3.246 2.889 3.574 . 0 0 "[ . 1 . 2]" 1
1315 1 72 TRP HZ3 1 76 LEU QB 5.500 . 5.500 3.677 3.372 4.188 . 0 0 "[ . 1 . 2]" 1
1316 1 73 ARG H 1 73 ARG HB2 3.540 . 3.540 2.542 2.360 2.642 . 0 0 "[ . 1 . 2]" 1
1317 1 73 ARG H 1 73 ARG QB 2.980 . 2.980 2.235 2.154 2.325 . 0 0 "[ . 1 . 2]" 1
1318 1 73 ARG H 1 73 ARG HB3 3.540 . 3.540 2.485 2.356 2.615 . 0 0 "[ . 1 . 2]" 1
1319 1 73 ARG H 1 73 ARG HG2 5.500 . 5.500 4.439 4.365 4.495 . 0 0 "[ . 1 . 2]" 1
1320 1 73 ARG H 1 73 ARG QG 4.630 . 4.630 3.968 3.940 4.008 . 0 0 "[ . 1 . 2]" 1
1321 1 73 ARG H 1 73 ARG HG3 5.500 . 5.500 4.470 4.362 4.524 . 0 0 "[ . 1 . 2]" 1
1322 1 73 ARG H 1 74 LEU H 3.300 . 3.300 2.691 2.618 2.775 . 0 0 "[ . 1 . 2]" 1
1323 1 73 ARG H 1 75 ALA H 4.270 . 4.270 4.150 3.897 4.280 0.010 13 0 "[ . 1 . 2]" 1
1324 1 73 ARG H 1 75 ALA MB 5.500 . 5.500 5.035 4.847 5.197 . 0 0 "[ . 1 . 2]" 1
1325 1 73 ARG H 1 76 LEU QD 4.960 . 4.960 4.040 3.875 4.207 . 0 0 "[ . 1 . 2]" 1
1326 1 73 ARG HA 1 73 ARG HG2 3.900 . 3.900 3.191 3.013 3.457 . 0 0 "[ . 1 . 2]" 1
1327 1 73 ARG HA 1 73 ARG HG3 3.900 . 3.900 2.652 2.471 2.787 . 0 0 "[ . 1 . 2]" 1
1328 1 73 ARG HA 1 75 ALA H 3.900 . 3.900 4.347 3.898 4.595 0.695 6 7 "[ .+** 1- * . * *]" 1
1329 1 73 ARG HA 1 76 LEU H 4.060 . 4.060 3.643 3.384 3.871 . 0 0 "[ . 1 . 2]" 1
1330 1 73 ARG HA 1 76 LEU QB 4.430 . 4.430 4.119 3.880 4.348 . 0 0 "[ . 1 . 2]" 1
1331 1 73 ARG HA 1 76 LEU QD 3.790 . 3.790 2.408 2.159 2.644 . 0 0 "[ . 1 . 2]" 1
1332 1 73 ARG HA 1 77 SER H 4.730 . 4.730 3.734 3.377 4.021 . 0 0 "[ . 1 . 2]" 1
1333 1 73 ARG QB 1 73 ARG QD 3.250 . 3.250 2.225 2.023 2.438 . 0 0 "[ . 1 . 2]" 1
1334 1 73 ARG QB 1 74 LEU H 3.620 . 3.620 2.470 2.310 2.696 . 0 0 "[ . 1 . 2]" 1
1335 1 73 ARG QB 1 76 LEU HG 4.700 . 4.700 4.272 4.062 4.465 . 0 0 "[ . 1 . 2]" 1
1336 1 73 ARG QB 1 77 SER QB 4.620 . 4.620 4.587 4.143 4.796 0.176 20 0 "[ . 1 . 2]" 1
1337 1 73 ARG HB2 1 77 SER QB 5.500 . 5.500 5.354 4.821 5.559 0.059 11 0 "[ . 1 . 2]" 1
1338 1 73 ARG HB3 1 77 SER QB 5.500 . 5.500 4.994 4.514 5.267 . 0 0 "[ . 1 . 2]" 1
1339 1 73 ARG QG 1 77 SER H 4.580 . 4.580 4.034 3.675 4.361 . 0 0 "[ . 1 . 2]" 1
1340 1 73 ARG QG 1 77 SER QB 3.390 . 3.390 2.980 2.355 3.287 . 0 0 "[ . 1 . 2]" 1
1341 1 73 ARG HG2 1 77 SER H 5.360 . 5.360 4.428 3.954 4.781 . 0 0 "[ . 1 . 2]" 1
1342 1 73 ARG HG3 1 77 SER H 5.360 . 5.360 4.692 4.071 5.175 . 0 0 "[ . 1 . 2]" 1
1343 1 74 LEU H 1 74 LEU HB2 3.260 . 3.260 2.147 2.112 2.192 . 0 0 "[ . 1 . 2]" 1
1344 1 74 LEU H 1 74 LEU HB3 3.460 . 3.460 3.448 3.395 3.484 0.024 9 0 "[ . 1 . 2]" 1
1345 1 74 LEU H 1 74 LEU QD . . 4.220 2.500 2.384 2.715 . 0 0 "[ . 1 . 2]" 1
1346 1 74 LEU H 1 74 LEU HG 4.350 . 4.350 4.037 3.982 4.138 . 0 0 "[ . 1 . 2]" 1
1347 1 74 LEU H 1 75 ALA H 3.680 . 3.680 2.810 2.646 2.890 . 0 0 "[ . 1 . 2]" 1
1348 1 74 LEU HA 1 74 LEU QD 3.310 . 3.310 1.947 1.912 2.003 . 0 0 "[ . 1 . 2]" 1
1349 1 74 LEU HA 1 74 LEU HG 4.010 . 4.010 3.691 3.664 3.733 . 0 0 "[ . 1 . 2]" 1
1350 1 74 LEU HB2 1 75 ALA H 3.910 . 3.910 2.976 2.804 3.290 . 0 0 "[ . 1 . 2]" 1
1351 1 74 LEU HB2 1 75 ALA HA 5.500 . 5.500 4.887 4.768 5.058 . 0 0 "[ . 1 . 2]" 1
1352 1 74 LEU HB3 1 74 LEU QD 3.260 . 3.260 2.283 2.232 2.321 . 0 0 "[ . 1 . 2]" 1
1353 1 74 LEU HB3 1 75 ALA H 4.330 . 4.330 3.188 3.038 3.488 . 0 0 "[ . 1 . 2]" 1
1354 1 74 LEU QD 1 75 ALA H . . 4.990 4.041 4.001 4.113 . 0 0 "[ . 1 . 2]" 1
1355 1 74 LEU QD 1 75 ALA HA 5.240 . 5.240 4.745 4.672 4.917 . 0 0 "[ . 1 . 2]" 1
1356 1 74 LEU QD 1 77 SER QB 5.270 . 5.270 3.839 3.500 4.122 . 0 0 "[ . 1 . 2]" 1
1357 1 75 ALA H 1 75 ALA MB 2.750 . 2.750 2.290 2.242 2.351 . 0 0 "[ . 1 . 2]" 1
1358 1 75 ALA H 1 76 LEU H 3.400 . 3.400 2.730 2.557 2.808 . 0 0 "[ . 1 . 2]" 1
1359 1 75 ALA H 1 76 LEU QD 5.290 . 5.290 4.696 4.611 4.759 . 0 0 "[ . 1 . 2]" 1
1360 1 75 ALA H 1 77 SER H 4.220 . 4.220 4.147 3.971 4.244 0.024 11 0 "[ . 1 . 2]" 1
1361 1 75 ALA HA 1 77 SER H 4.520 . 4.520 4.581 4.415 4.715 0.195 14 0 "[ . 1 . 2]" 1
1362 1 75 ALA HA 1 78 THR H 4.560 . 4.560 3.599 3.360 3.794 . 0 0 "[ . 1 . 2]" 1
1363 1 75 ALA HA 1 78 THR HB 3.540 . 3.540 2.880 2.623 3.187 . 0 0 "[ . 1 . 2]" 1
1364 1 75 ALA HA 1 78 THR MG 4.900 . 4.900 4.244 3.994 4.519 . 0 0 "[ . 1 . 2]" 1
1365 1 75 ALA MB 1 76 LEU H 3.240 . 3.240 2.393 2.215 2.509 . 0 0 "[ . 1 . 2]" 1
1366 1 75 ALA MB 1 76 LEU QB 5.500 . 5.500 3.754 3.614 3.864 . 0 0 "[ . 1 . 2]" 1
1367 1 75 ALA MB 1 77 SER H 4.310 . 4.310 4.486 4.359 4.590 0.280 1 0 "[ . 1 . 2]" 1
1368 1 75 ALA MB 1 78 THR H 4.700 . 4.700 4.483 4.312 4.591 . 0 0 "[ . 1 . 2]" 1
1369 1 75 ALA MB 1 79 PHE H 5.040 . 5.040 4.670 4.469 4.899 . 0 0 "[ . 1 . 2]" 1
1370 1 75 ALA MB 1 79 PHE QB 5.500 . 5.500 5.169 5.119 5.236 . 0 0 "[ . 1 . 2]" 1
1371 1 75 ALA MB 1 79 PHE QE 3.520 . 3.520 2.955 2.671 3.106 . 0 0 "[ . 1 . 2]" 1
1372 1 75 ALA MB 1 79 PHE HZ 4.700 . 4.700 2.648 2.460 2.902 . 0 0 "[ . 1 . 2]" 1
1373 1 76 LEU H 1 76 LEU QB . . 3.550 2.507 2.457 2.570 . 0 0 "[ . 1 . 2]" 1
1374 1 76 LEU H 1 76 LEU QD 4.160 . 4.160 3.134 3.078 3.190 . 0 0 "[ . 1 . 2]" 1
1375 1 76 LEU H 1 76 LEU HG 3.490 . 3.490 2.522 2.395 2.675 . 0 0 "[ . 1 . 2]" 1
1376 1 76 LEU H 1 77 SER H 3.360 . 3.360 2.702 2.569 2.751 . 0 0 "[ . 1 . 2]" 1
1377 1 76 LEU HA 1 76 LEU QD . . 3.320 3.411 3.392 3.434 0.114 2 0 "[ . 1 . 2]" 1
1378 1 76 LEU HA 1 79 PHE H 3.710 . 3.710 3.207 3.033 3.366 . 0 0 "[ . 1 . 2]" 1
1379 1 76 LEU HA 1 79 PHE QD 3.360 . 3.360 2.204 1.978 2.495 . 0 0 "[ . 1 . 2]" 1
1380 1 76 LEU HA 1 79 PHE QE 4.630 . 4.630 3.017 2.738 3.260 . 0 0 "[ . 1 . 2]" 1
1381 1 76 LEU HA 1 88 TRP HA 5.000 . 5.000 3.572 3.369 3.792 . 0 0 "[ . 1 . 2]" 1
1382 1 76 LEU QB 1 77 SER H 4.150 . 4.150 3.515 3.466 3.591 . 0 0 "[ . 1 . 2]" 1
1383 1 76 LEU QB 1 77 SER HA 5.500 . 5.500 4.444 4.329 4.537 . 0 0 "[ . 1 . 2]" 1
1384 1 76 LEU QB 1 88 TRP HA 4.170 . 4.170 2.972 2.703 3.296 . 0 0 "[ . 1 . 2]" 1
1385 1 76 LEU QB 1 88 TRP HD1 5.070 . 5.070 2.839 2.494 3.390 . 0 0 "[ . 1 . 2]" 1
1386 1 76 LEU QD 1 77 SER H . . 4.470 2.552 2.411 2.713 . 0 0 "[ . 1 . 2]" 1
1387 1 76 LEU QD 1 77 SER HA 3.860 . 3.860 2.564 2.430 2.675 . 0 0 "[ . 1 . 2]" 1
1388 1 76 LEU QD 1 77 SER QB 4.960 . 4.960 2.943 2.364 3.324 . 0 0 "[ . 1 . 2]" 1
1389 1 76 LEU QD 1 79 PHE QB 5.500 . 5.500 4.481 4.352 4.673 . 0 0 "[ . 1 . 2]" 1
1390 1 76 LEU QD 1 79 PHE QD 4.550 . 4.550 4.359 4.263 4.447 . 0 0 "[ . 1 . 2]" 1
1391 1 76 LEU QD 1 79 PHE QE 5.500 . 5.500 4.664 4.576 4.782 . 0 0 "[ . 1 . 2]" 1
1392 1 76 LEU QD 1 88 TRP HA 3.480 . 3.480 3.855 3.479 4.022 0.542 1 2 "[+ . 1 - . 2]" 1
1393 1 76 LEU QD 1 88 TRP HD1 4.160 . 4.160 2.455 2.084 2.743 . 0 0 "[ . 1 . 2]" 1
1394 1 76 LEU QD 1 88 TRP HE1 4.600 . 4.600 2.609 2.295 3.001 . 0 0 "[ . 1 . 2]" 1
1395 1 76 LEU QD 1 91 GLY H 4.320 . 4.320 4.549 4.202 4.798 0.478 5 0 "[ . 1 . 2]" 1
1396 1 76 LEU QD 1 91 GLY QA . . 3.870 3.036 2.693 3.231 . 0 0 "[ . 1 . 2]" 1
1397 1 76 LEU QD 1 92 GLN H 4.560 . 4.560 3.264 2.017 4.191 . 0 0 "[ . 1 . 2]" 1
1398 1 76 LEU QD 1 92 GLN HA 4.600 . 4.600 3.059 2.052 4.342 . 0 0 "[ . 1 . 2]" 1
1399 1 76 LEU QD 1 92 GLN QE 5.340 . 5.340 4.317 2.517 6.232 0.892 16 2 "[ - . 1 .+ 2]" 1
1400 1 76 LEU QD 1 92 GLN HG2 5.500 . 5.500 3.363 2.305 4.995 . 0 0 "[ . 1 . 2]" 1
1401 1 76 LEU QD 1 92 GLN HG3 5.500 . 5.500 4.089 3.056 4.991 . 0 0 "[ . 1 . 2]" 1
1402 1 76 LEU HG 1 77 SER H 4.140 . 4.140 2.348 2.144 2.541 . 0 0 "[ . 1 . 2]" 1
1403 1 76 LEU HG 1 77 SER QB 3.470 . 3.470 3.569 3.469 3.621 0.151 13 0 "[ . 1 . 2]" 1
1404 1 77 SER H 1 77 SER QB 2.910 . 2.910 2.164 2.064 2.400 . 0 0 "[ . 1 . 2]" 1
1405 1 77 SER H 1 78 THR H 3.480 . 3.480 2.593 2.476 2.679 . 0 0 "[ . 1 . 2]" 1
1406 1 77 SER HA 1 79 PHE H 4.610 . 4.610 4.051 3.823 4.244 . 0 0 "[ . 1 . 2]" 1
1407 1 77 SER HA 1 80 GLU H 4.230 . 4.230 3.636 3.310 3.938 . 0 0 "[ . 1 . 2]" 1
1408 1 77 SER HA 1 80 GLU HB2 5.500 . 5.500 5.137 4.712 5.568 0.068 11 0 "[ . 1 . 2]" 1
1409 1 77 SER HA 1 80 GLU HB3 4.810 . 4.810 4.277 3.879 4.777 . 0 0 "[ . 1 . 2]" 1
1410 1 77 SER HA 1 80 GLU QG 4.160 . 4.160 2.336 1.953 2.645 . 0 0 "[ . 1 . 2]" 1
1411 1 77 SER HA 1 88 TRP HD1 3.680 . 3.680 3.013 2.568 3.407 . 0 0 "[ . 1 . 2]" 1
1412 1 77 SER HA 1 88 TRP HE1 4.120 . 4.120 3.206 2.975 3.712 . 0 0 "[ . 1 . 2]" 1
1413 1 77 SER QB 1 78 THR H 3.730 . 3.730 3.333 2.973 3.675 . 0 0 "[ . 1 . 2]" 1
1414 1 77 SER QB 1 88 TRP HE1 5.260 . 5.260 4.513 3.900 4.956 . 0 0 "[ . 1 . 2]" 1
1415 1 78 THR H 1 78 THR MG 4.170 . 4.170 3.796 3.730 3.842 . 0 0 "[ . 1 . 2]" 1
1416 1 78 THR H 1 79 PHE H 3.230 . 3.230 2.104 1.945 2.283 . 0 0 "[ . 1 . 2]" 1
1417 1 78 THR H 1 79 PHE QE 5.500 . 5.500 5.489 5.377 5.553 0.053 9 0 "[ . 1 . 2]" 1
1418 1 78 THR HA 1 78 THR MG 3.290 . 3.290 2.433 2.369 2.517 . 0 0 "[ . 1 . 2]" 1
1419 1 78 THR HA 1 81 ARG H 3.680 . 3.680 3.148 2.893 3.544 . 0 0 "[ . 1 . 2]" 1
1420 1 78 THR HA 1 81 ARG QB 3.820 . 3.820 2.685 2.382 3.265 . 0 0 "[ . 1 . 2]" 1
1421 1 78 THR HA 1 81 ARG QD 4.260 . 4.260 3.985 2.859 4.329 0.069 1 0 "[ . 1 . 2]" 1
1422 1 78 THR HA 1 81 ARG QG 3.830 . 3.830 2.604 1.885 4.396 0.566 7 1 "[ . + 1 . 2]" 1
1423 1 78 THR HA 1 82 ILE H 4.860 . 4.860 4.322 4.138 4.665 . 0 0 "[ . 1 . 2]" 1
1424 1 78 THR HA 1 82 ILE MG 5.500 . 5.500 4.022 3.509 4.489 . 0 0 "[ . 1 . 2]" 1
1425 1 78 THR HB 1 79 PHE H 3.840 . 3.840 3.058 2.677 3.237 . 0 0 "[ . 1 . 2]" 1
1426 1 78 THR MG 1 79 PHE H 4.280 . 4.280 3.775 3.512 3.921 . 0 0 "[ . 1 . 2]" 1
1427 1 78 THR MG 1 81 ARG QB 4.910 . 4.910 2.949 2.507 4.022 . 0 0 "[ . 1 . 2]" 1
1428 1 78 THR MG 1 81 ARG QD 4.450 . 4.450 4.815 4.152 5.043 0.593 12 9 "[ * . * 1-+**.* **2]" 1
1429 1 78 THR MG 1 82 ILE H 5.500 . 5.500 3.817 3.552 4.102 . 0 0 "[ . 1 . 2]" 1
1430 1 78 THR MG 1 82 ILE MD 5.500 . 5.500 2.913 2.317 3.540 . 0 0 "[ . 1 . 2]" 1
1431 1 78 THR MG 1 82 ILE MG 2.870 . 2.870 2.286 2.031 2.599 . 0 0 "[ . 1 . 2]" 1
1432 1 79 PHE H 1 79 PHE QB 3.450 . 3.450 2.476 2.402 2.591 . 0 0 "[ . 1 . 2]" 1
1433 1 79 PHE H 1 79 PHE QD 4.110 . 4.110 3.088 2.817 3.284 . 0 0 "[ . 1 . 2]" 1
1434 1 79 PHE H 1 80 GLU H 3.400 . 3.400 2.774 2.655 2.897 . 0 0 "[ . 1 . 2]" 1
1435 1 79 PHE H 1 80 GLU HB3 5.500 . 5.500 5.317 5.075 5.522 0.022 5 0 "[ . 1 . 2]" 1
1436 1 79 PHE H 1 80 GLU QG 4.420 . 4.420 3.777 3.521 4.178 . 0 0 "[ . 1 . 2]" 1
1437 1 79 PHE H 1 82 ILE MD 5.360 . 5.360 4.526 4.199 4.813 . 0 0 "[ . 1 . 2]" 1
1438 1 79 PHE H 1 82 ILE MG 5.300 . 5.300 5.048 4.756 5.314 0.014 17 0 "[ . 1 . 2]" 1
1439 1 79 PHE HA 1 79 PHE QD 3.900 . 3.900 2.033 1.980 2.111 . 0 0 "[ . 1 . 2]" 1
1440 1 79 PHE HA 1 82 ILE H 4.280 . 4.280 3.624 3.526 3.832 . 0 0 "[ . 1 . 2]" 1
1441 1 79 PHE HA 1 82 ILE MD 4.040 . 4.040 2.535 2.370 2.681 . 0 0 "[ . 1 . 2]" 1
1442 1 79 PHE HA 1 82 ILE HG12 3.580 . 3.580 2.248 2.101 2.523 . 0 0 "[ . 1 . 2]" 1
1443 1 79 PHE HA 1 82 ILE QG 3.040 . 3.040 2.203 2.063 2.452 . 0 0 "[ . 1 . 2]" 1
1444 1 79 PHE HA 1 82 ILE HG13 3.580 . 3.580 3.181 2.817 3.542 . 0 0 "[ . 1 . 2]" 1
1445 1 79 PHE HA 1 82 ILE MG 4.850 . 4.850 3.995 3.770 4.291 . 0 0 "[ . 1 . 2]" 1
1446 1 79 PHE QB 1 80 GLU H 3.670 . 3.670 2.370 2.146 2.587 . 0 0 "[ . 1 . 2]" 1
1447 1 79 PHE QB 1 84 ARG HB2 4.880 . 4.880 4.156 3.519 4.483 . 0 0 "[ . 1 . 2]" 1
1448 1 79 PHE QB 1 84 ARG HB3 5.500 . 5.500 2.636 2.243 2.943 . 0 0 "[ . 1 . 2]" 1
1449 1 79 PHE QB 1 87 LEU HB2 5.340 . 5.340 3.513 2.521 4.462 . 0 0 "[ . 1 . 2]" 1
1450 1 79 PHE QB 1 87 LEU HB3 5.340 . 5.340 3.625 2.418 4.867 . 0 0 "[ . 1 . 2]" 1
1451 1 79 PHE QB 1 87 LEU QD 4.410 . 4.410 3.696 3.102 4.259 . 0 0 "[ . 1 . 2]" 1
1452 1 79 PHE QB 1 87 LEU HG 5.060 . 5.060 4.710 3.900 6.083 1.023 6 1 "[ .+ 1 . 2]" 1
1453 1 79 PHE QB 1 88 TRP QB 5.340 . 5.340 2.193 1.955 2.424 . 0 0 "[ . 1 . 2]" 1
1454 1 79 PHE QD 1 82 ILE MD 4.050 . 4.050 2.621 2.303 2.979 . 0 0 "[ . 1 . 2]" 1
1455 1 79 PHE QD 1 82 ILE QG 4.590 . 4.590 3.548 3.301 3.822 . 0 0 "[ . 1 . 2]" 1
1456 1 79 PHE QD 1 84 ARG HB2 4.890 . 4.890 4.864 4.278 5.239 0.349 11 0 "[ . 1 . 2]" 1
1457 1 79 PHE QD 1 87 LEU QB 5.340 . 5.340 3.052 2.609 3.304 . 0 0 "[ . 1 . 2]" 1
1458 1 79 PHE QD 1 87 LEU QD 4.950 . 4.950 3.493 2.917 4.197 . 0 0 "[ . 1 . 2]" 1
1459 1 79 PHE QD 1 88 TRP HA 4.400 . 4.400 2.442 2.204 2.721 . 0 0 "[ . 1 . 2]" 1
1460 1 79 PHE QE 1 87 LEU QB 5.340 . 5.340 3.653 3.050 4.274 . 0 0 "[ . 1 . 2]" 1
1461 1 80 GLU H 1 80 GLU HB2 3.620 . 3.620 3.600 3.563 3.627 0.007 4 0 "[ . 1 . 2]" 1
1462 1 80 GLU H 1 80 GLU HB3 3.240 . 3.240 2.652 2.568 2.748 . 0 0 "[ . 1 . 2]" 1
1463 1 80 GLU H 1 80 GLU QG 3.440 . 3.440 1.988 1.804 2.263 . 0 0 "[ . 1 . 2]" 1
1464 1 80 GLU H 1 81 ARG QB 5.500 . 5.500 4.804 4.567 5.009 . 0 0 "[ . 1 . 2]" 1
1465 1 80 GLU H 1 82 ILE MD 5.500 . 5.500 5.468 5.286 5.524 0.024 10 0 "[ . 1 . 2]" 1
1466 1 80 GLU H 1 88 TRP QB 5.340 . 5.340 2.851 2.706 3.104 . 0 0 "[ . 1 . 2]" 1
1467 1 80 GLU H 1 88 TRP HD1 5.500 . 5.500 3.390 2.915 3.897 . 0 0 "[ . 1 . 2]" 1
1468 1 80 GLU HA 1 80 GLU QG 3.450 . 3.450 3.289 3.233 3.348 . 0 0 "[ . 1 . 2]" 1
1469 1 80 GLU HA 1 83 ASN H 4.730 . 4.730 4.035 3.664 4.637 . 0 0 "[ . 1 . 2]" 1
1470 1 80 GLU HA 1 84 ARG H 3.860 . 3.860 3.190 2.272 3.866 0.006 8 0 "[ . 1 . 2]" 1
1471 1 80 GLU HA 1 85 LYS H 4.730 . 4.730 3.877 3.267 4.234 . 0 0 "[ . 1 . 2]" 1
1472 1 80 GLU HA 1 85 LYS HA 3.540 . 3.540 2.599 2.072 3.086 . 0 0 "[ . 1 . 2]" 1
1473 1 80 GLU HA 1 88 TRP QB 4.180 . 4.180 3.223 2.816 3.527 . 0 0 "[ . 1 . 2]" 1
1474 1 80 GLU HB2 1 81 ARG H 4.310 . 4.310 3.875 3.574 4.182 . 0 0 "[ . 1 . 2]" 1
1475 1 80 GLU HB2 1 88 TRP HD1 4.650 . 4.650 5.063 4.781 5.264 0.614 6 6 "[ * .+ *-* . *]" 1
1476 1 80 GLU HB2 1 88 TRP HE1 5.500 . 5.500 4.990 4.330 5.533 0.033 9 0 "[ . 1 . 2]" 1
1477 1 80 GLU HB3 1 88 TRP HB2 4.660 . 4.660 3.024 2.403 3.432 . 0 0 "[ . 1 . 2]" 1
1478 1 80 GLU HB3 1 88 TRP QB 4.080 . 4.080 2.823 2.267 3.198 . 0 0 "[ . 1 . 2]" 1
1479 1 80 GLU HB3 1 88 TRP HB3 4.660 . 4.660 3.388 2.779 3.819 . 0 0 "[ . 1 . 2]" 1
1480 1 80 GLU HB3 1 88 TRP HD1 4.460 . 4.460 3.442 3.192 3.657 . 0 0 "[ . 1 . 2]" 1
1481 1 80 GLU QG 1 81 ARG H 3.210 . 3.210 2.295 2.011 2.859 . 0 0 "[ . 1 . 2]" 1
1482 1 80 GLU QG 1 81 ARG HA 4.050 . 4.050 3.530 3.216 3.946 . 0 0 "[ . 1 . 2]" 1
1483 1 80 GLU QG 1 81 ARG QD 4.750 . 4.750 3.122 1.880 3.846 . 0 0 "[ . 1 . 2]" 1
1484 1 80 GLU QG 1 81 ARG QG 5.340 . 5.340 2.252 1.855 3.800 . 0 0 "[ . 1 . 2]" 1
1485 1 80 GLU QG 1 85 LYS QB 5.340 . 5.340 5.349 4.865 5.466 0.126 1 0 "[ . 1 . 2]" 1
1486 1 80 GLU QG 1 88 TRP HB2 4.900 . 4.900 3.884 3.373 4.085 . 0 0 "[ . 1 . 2]" 1
1487 1 80 GLU QG 1 88 TRP QB 4.070 . 4.070 3.736 3.250 3.899 . 0 0 "[ . 1 . 2]" 1
1488 1 80 GLU QG 1 88 TRP HB3 4.900 . 4.900 4.857 4.250 4.960 0.060 13 0 "[ . 1 . 2]" 1
1489 1 80 GLU QG 1 88 TRP HD1 4.360 . 4.360 3.161 2.588 3.763 . 0 0 "[ . 1 . 2]" 1
1490 1 80 GLU QG 1 88 TRP HE1 4.300 . 4.300 3.587 2.800 4.171 . 0 0 "[ . 1 . 2]" 1
1491 1 81 ARG H 1 81 ARG QB 3.420 . 3.420 2.470 2.263 2.561 . 0 0 "[ . 1 . 2]" 1
1492 1 81 ARG H 1 81 ARG QD 4.540 . 4.540 3.618 2.318 4.204 . 0 0 "[ . 1 . 2]" 1
1493 1 81 ARG H 1 81 ARG QG 2.990 . 2.990 2.360 2.030 3.613 0.623 20 1 "[ . 1 . +]" 1
1494 1 81 ARG H 1 82 ILE H 3.540 . 3.540 2.387 2.163 2.615 . 0 0 "[ . 1 . 2]" 1
1495 1 81 ARG H 1 82 ILE MG 4.590 . 4.590 3.966 3.614 4.305 . 0 0 "[ . 1 . 2]" 1
1496 1 81 ARG HA 1 81 ARG QD 4.100 . 4.100 2.590 1.935 4.141 0.041 18 0 "[ . 1 . 2]" 1
1497 1 81 ARG HA 1 81 ARG QG 3.470 . 3.470 2.823 2.287 3.010 . 0 0 "[ . 1 . 2]" 1
1498 1 81 ARG HA 1 83 ASN H 4.430 . 4.430 3.557 3.132 3.735 . 0 0 "[ . 1 . 2]" 1
1499 1 81 ARG QB 1 82 ILE H 5.500 . 5.500 2.766 2.361 3.263 . 0 0 "[ . 1 . 2]" 1
1500 1 81 ARG QB 1 82 ILE MG 4.120 . 4.120 2.819 2.524 3.546 . 0 0 "[ . 1 . 2]" 1
1501 1 82 ILE H 1 82 ILE MD 3.990 . 3.990 3.741 3.588 3.824 . 0 0 "[ . 1 . 2]" 1
1502 1 82 ILE H 1 82 ILE HG12 3.670 . 3.670 2.107 1.960 2.196 . 0 0 "[ . 1 . 2]" 1
1503 1 82 ILE H 1 82 ILE QG 3.170 . 3.170 2.070 1.939 2.147 . 0 0 "[ . 1 . 2]" 1
1504 1 82 ILE H 1 82 ILE HG13 3.670 . 3.670 3.048 2.871 3.198 . 0 0 "[ . 1 . 2]" 1
1505 1 82 ILE H 1 82 ILE MG 3.290 . 3.290 2.457 2.252 2.697 . 0 0 "[ . 1 . 2]" 1
1506 1 82 ILE H 1 83 ASN H 3.230 . 3.230 2.558 2.360 2.808 . 0 0 "[ . 1 . 2]" 1
1507 1 82 ILE H 1 84 ARG H 4.010 . 4.010 3.541 3.083 4.036 0.026 10 0 "[ . 1 . 2]" 1
1508 1 82 ILE HA 1 82 ILE QG 3.740 . 3.740 3.340 3.326 3.365 . 0 0 "[ . 1 . 2]" 1
1509 1 82 ILE HA 1 82 ILE MG 3.010 . 3.010 2.356 2.318 2.387 . 0 0 "[ . 1 . 2]" 1
1510 1 82 ILE HA 1 83 ASN H 3.480 . 3.480 3.007 2.942 3.055 . 0 0 "[ . 1 . 2]" 1
1511 1 82 ILE HB 1 82 ILE MD 3.450 . 3.450 2.441 2.394 2.474 . 0 0 "[ . 1 . 2]" 1
1512 1 82 ILE MD 1 82 ILE MG 3.030 . 3.030 1.968 1.918 2.016 . 0 0 "[ . 1 . 2]" 1
1513 1 82 ILE MD 1 84 ARG H 5.120 . 5.120 4.480 3.906 5.183 0.063 10 0 "[ . 1 . 2]" 1
1514 1 82 ILE MD 1 84 ARG QD 5.340 . 5.340 4.928 4.485 5.465 0.125 10 0 "[ . 1 . 2]" 1
1515 1 82 ILE MD 1 87 LEU QD 4.410 . 4.410 4.568 4.264 5.296 0.886 6 2 "[ .+ 1 .- 2]" 1
1516 1 82 ILE QG 1 84 ARG H 4.460 . 4.460 2.956 2.277 3.730 . 0 0 "[ . 1 . 2]" 1
1517 1 82 ILE HG12 1 83 ASN H 4.620 . 4.620 3.976 3.765 4.172 . 0 0 "[ . 1 . 2]" 1
1518 1 82 ILE HG13 1 83 ASN H 4.620 . 4.620 3.741 3.541 3.878 . 0 0 "[ . 1 . 2]" 1
1519 1 82 ILE MG 1 83 ASN H 4.570 . 4.570 4.208 4.108 4.294 . 0 0 "[ . 1 . 2]" 1
1520 1 83 ASN H 1 83 ASN HA 2.610 . 2.610 2.215 2.160 2.267 . 0 0 "[ . 1 . 2]" 1
1521 1 83 ASN H 1 83 ASN HB2 4.030 . 4.030 3.324 3.038 3.611 . 0 0 "[ . 1 . 2]" 1
1522 1 83 ASN H 1 83 ASN QB 3.390 . 3.390 3.134 2.901 3.383 . 0 0 "[ . 1 . 2]" 1
1523 1 83 ASN H 1 83 ASN HB3 4.030 . 4.030 3.842 3.617 4.101 0.071 16 0 "[ . 1 . 2]" 1
1524 1 83 ASN H 1 84 ARG H 3.050 . 3.050 2.635 2.441 2.949 . 0 0 "[ . 1 . 2]" 1
1525 1 83 ASN HA 1 84 ARG H 3.300 . 3.300 2.604 2.065 3.066 . 0 0 "[ . 1 . 2]" 1
1526 1 83 ASN HA 1 84 ARG HB2 4.940 . 4.940 5.036 4.449 5.288 0.348 5 0 "[ . 1 . 2]" 1
1527 1 83 ASN HA 1 84 ARG HB3 5.500 . 5.500 5.197 4.803 5.623 0.123 8 0 "[ . 1 . 2]" 1
1528 1 83 ASN HA 1 85 LYS H 4.430 . 4.430 3.713 3.220 4.350 . 0 0 "[ . 1 . 2]" 1
1529 1 83 ASN QB 1 83 ASN QD 2.950 . 2.950 2.461 2.156 2.701 . 0 0 "[ . 1 . 2]" 1
1530 1 84 ARG H 1 84 ARG HB3 3.670 . 3.670 2.686 2.425 3.144 . 0 0 "[ . 1 . 2]" 1
1531 1 84 ARG H 1 84 ARG QD 5.340 . 5.340 4.454 4.343 4.539 . 0 0 "[ . 1 . 2]" 1
1532 1 84 ARG H 1 85 LYS QB 4.210 . 4.210 4.116 3.616 4.664 0.454 3 0 "[ . 1 . 2]" 1
1533 1 84 ARG HA 1 84 ARG HD2 3.660 . 3.660 3.649 3.306 3.860 0.200 8 0 "[ . 1 . 2]" 1
1534 1 84 ARG HA 1 84 ARG QD 3.030 . 3.030 2.173 1.978 2.625 . 0 0 "[ . 1 . 2]" 1
1535 1 84 ARG HA 1 84 ARG HD3 3.660 . 3.660 2.194 1.987 2.671 . 0 0 "[ . 1 . 2]" 1
1536 1 84 ARG HA 1 85 LYS H 3.100 . 3.100 2.447 2.227 2.675 . 0 0 "[ . 1 . 2]" 1
1537 1 84 ARG HA 1 86 ASP H 3.550 . 3.550 3.118 2.951 3.368 . 0 0 "[ . 1 . 2]" 1
1538 1 84 ARG HA 1 87 LEU H 4.420 . 4.420 4.158 3.679 4.582 0.162 15 0 "[ . 1 . 2]" 1
1539 1 84 ARG HB2 1 87 LEU QD 5.130 . 5.130 4.674 4.338 5.114 . 0 0 "[ . 1 . 2]" 1
1540 1 84 ARG HB3 1 85 LYS H 4.580 . 4.580 4.373 4.223 4.490 . 0 0 "[ . 1 . 2]" 1
1541 1 84 ARG HB3 1 88 TRP H 5.080 . 5.080 4.963 4.122 5.267 0.187 15 0 "[ . 1 . 2]" 1
1542 1 84 ARG QD 1 85 LYS H 4.780 . 4.780 3.711 3.121 4.090 . 0 0 "[ . 1 . 2]" 1
1543 1 84 ARG QD 1 86 ASP H 4.120 . 4.120 2.963 2.533 3.467 . 0 0 "[ . 1 . 2]" 1
1544 1 84 ARG QG 1 87 LEU QD 3.910 . 3.910 2.630 2.164 3.439 . 0 0 "[ . 1 . 2]" 1
1545 1 85 LYS H 1 85 LYS HB2 3.300 . 3.300 2.768 2.418 3.452 0.152 3 0 "[ . 1 . 2]" 1
1546 1 85 LYS H 1 85 LYS QB 2.820 . 2.820 2.212 2.062 2.505 . 0 0 "[ . 1 . 2]" 1
1547 1 85 LYS H 1 85 LYS HB3 3.300 . 3.300 2.363 2.126 2.595 . 0 0 "[ . 1 . 2]" 1
1548 1 85 LYS H 1 85 LYS QG 4.820 . 4.820 3.701 1.925 3.982 . 0 0 "[ . 1 . 2]" 1
1549 1 85 LYS H 1 86 ASP H 3.110 . 3.110 2.247 2.117 2.433 . 0 0 "[ . 1 . 2]" 1
1550 1 85 LYS H 1 87 LEU H 4.640 . 4.640 4.392 4.121 4.498 . 0 0 "[ . 1 . 2]" 1
1551 1 85 LYS HA 1 85 LYS QG 3.690 . 3.690 2.669 2.350 3.445 . 0 0 "[ . 1 . 2]" 1
1552 1 85 LYS HA 1 88 TRP H 3.520 . 3.520 3.170 2.943 3.377 . 0 0 "[ . 1 . 2]" 1
1553 1 85 LYS HA 1 88 TRP HB2 3.580 . 3.580 2.751 2.510 3.054 . 0 0 "[ . 1 . 2]" 1
1554 1 85 LYS HA 1 88 TRP HB3 3.580 . 3.580 2.029 1.861 2.287 . 0 0 "[ . 1 . 2]" 1
1555 1 85 LYS HA 1 88 TRP HE3 4.480 . 4.480 3.182 2.588 3.555 . 0 0 "[ . 1 . 2]" 1
1556 1 85 LYS HA 1 89 GLU H 4.310 . 4.310 3.920 3.659 4.140 . 0 0 "[ . 1 . 2]" 1
1557 1 85 LYS QB 1 86 ASP H 3.640 . 3.640 3.053 2.689 3.626 . 0 0 "[ . 1 . 2]" 1
1558 1 85 LYS QB 1 88 TRP QB 4.610 . 4.610 3.630 3.151 3.877 . 0 0 "[ . 1 . 2]" 1
1559 1 85 LYS QB 1 88 TRP HE3 5.340 . 5.340 3.581 2.049 4.172 . 0 0 "[ . 1 . 2]" 1
1560 1 85 LYS QB 1 89 GLU H 5.340 . 5.340 4.888 4.115 5.165 . 0 0 "[ . 1 . 2]" 1
1561 1 85 LYS HB2 1 86 ASP H 4.290 . 4.290 4.053 3.863 4.295 0.005 19 0 "[ . 1 . 2]" 1
1562 1 85 LYS HB3 1 86 ASP H 4.290 . 4.290 3.187 2.743 4.172 . 0 0 "[ . 1 . 2]" 1
1563 1 85 LYS QD 1 88 TRP HE3 4.750 . 4.750 3.821 3.295 4.785 0.035 20 0 "[ . 1 . 2]" 1
1564 1 85 LYS QE 1 85 LYS QG 3.440 . 3.440 2.474 2.121 2.860 . 0 0 "[ . 1 . 2]" 1
1565 1 85 LYS QG 1 86 ASP H 4.220 . 4.220 3.782 2.394 4.228 0.008 15 0 "[ . 1 . 2]" 1
1566 1 85 LYS QG 1 86 ASP HA 4.540 . 4.540 3.981 2.940 4.589 0.049 15 0 "[ . 1 . 2]" 1
1567 1 85 LYS QG 1 88 TRP HE3 4.220 . 4.220 2.232 1.842 4.217 . 0 0 "[ . 1 . 2]" 1
1568 1 86 ASP H 1 86 ASP HB2 3.880 . 3.880 2.682 2.530 2.919 . 0 0 "[ . 1 . 2]" 1
1569 1 86 ASP H 1 86 ASP QB 3.200 . 3.200 2.402 2.083 2.797 . 0 0 "[ . 1 . 2]" 1
1570 1 86 ASP H 1 86 ASP HB3 3.880 . 3.880 2.941 2.155 3.678 . 0 0 "[ . 1 . 2]" 1
1571 1 86 ASP H 1 87 LEU H 3.180 . 3.180 2.797 2.626 2.990 . 0 0 "[ . 1 . 2]" 1
1572 1 86 ASP H 1 87 LEU HA 5.450 . 5.450 5.390 5.247 5.489 0.039 9 0 "[ . 1 . 2]" 1
1573 1 86 ASP H 1 87 LEU QD 5.430 . 5.430 5.218 4.093 5.529 0.099 11 0 "[ . 1 . 2]" 1
1574 1 86 ASP H 1 88 TRP H 4.620 . 4.620 3.821 3.620 3.986 . 0 0 "[ . 1 . 2]" 1
1575 1 86 ASP HA 1 89 GLU H 4.600 . 4.600 3.985 3.502 4.304 . 0 0 "[ . 1 . 2]" 1
1576 1 86 ASP HA 1 89 GLU QB 4.250 . 4.250 3.593 2.942 4.135 . 0 0 "[ . 1 . 2]" 1
1577 1 86 ASP HA 1 89 GLU QG 5.340 . 5.340 3.921 3.053 4.828 . 0 0 "[ . 1 . 2]" 1
1578 1 86 ASP HA 1 90 ARG QG 5.340 . 5.340 4.549 3.994 5.959 0.619 1 1 "[+ . 1 . 2]" 1
1579 1 87 LEU H 1 87 LEU HB2 4.040 . 4.040 2.443 2.244 2.551 . 0 0 "[ . 1 . 2]" 1
1580 1 87 LEU H 1 87 LEU QB 3.540 . 3.540 2.337 2.131 2.504 . 0 0 "[ . 1 . 2]" 1
1581 1 87 LEU H 1 87 LEU HB3 4.040 . 4.040 3.206 2.455 3.706 . 0 0 "[ . 1 . 2]" 1
1582 1 87 LEU H 1 87 LEU MD1 4.060 . 4.060 3.791 2.507 4.060 0.000 17 0 "[ . 1 . 2]" 1
1583 1 87 LEU H 1 87 LEU MD2 4.060 . 4.060 3.810 3.372 4.138 0.078 4 0 "[ . 1 . 2]" 1
1584 1 87 LEU H 1 87 LEU HG 3.840 . 3.840 3.432 2.319 4.487 0.647 11 8 "[* *. * 1+ -. * **]" 1
1585 1 87 LEU H 1 88 TRP H 3.320 . 3.320 2.303 2.094 2.495 . 0 0 "[ . 1 . 2]" 1
1586 1 87 LEU H 1 90 ARG QG 4.600 . 4.600 4.646 4.215 5.360 0.760 1 2 "[+ . 1 - 2]" 1
1587 1 87 LEU HA 1 87 LEU QD 2.920 . 2.920 2.080 2.008 2.525 . 0 0 "[ . 1 . 2]" 1
1588 1 87 LEU HA 1 90 ARG H 4.050 . 4.050 3.291 3.079 3.779 . 0 0 "[ . 1 . 2]" 1
1589 1 87 LEU HA 1 90 ARG HB2 3.810 . 3.810 2.695 1.961 3.714 . 0 0 "[ . 1 . 2]" 1
1590 1 87 LEU HA 1 90 ARG QD 4.080 . 4.080 2.883 2.022 4.183 0.103 20 0 "[ . 1 . 2]" 1
1591 1 87 LEU HA 1 90 ARG HG2 4.210 . 4.210 3.751 2.374 4.301 0.091 18 0 "[ . 1 . 2]" 1
1592 1 87 LEU HA 1 90 ARG QG 3.700 . 3.700 2.592 2.182 2.995 . 0 0 "[ . 1 . 2]" 1
1593 1 87 LEU HA 1 90 ARG HG3 4.210 . 4.210 2.820 2.255 4.363 0.153 1 0 "[ . 1 . 2]" 1
1594 1 87 LEU HA 1 91 GLY H 4.600 . 4.600 4.424 3.720 4.987 0.387 14 0 "[ . 1 . 2]" 1
1595 1 87 LEU QB 1 88 TRP H 4.270 . 4.270 2.799 2.537 3.038 . 0 0 "[ . 1 . 2]" 1
1596 1 87 LEU QD 1 88 TRP H 5.440 . 5.440 4.152 3.986 4.307 . 0 0 "[ . 1 . 2]" 1
1597 1 87 LEU QD 1 90 ARG HB2 5.440 . 5.440 3.286 2.361 4.092 . 0 0 "[ . 1 . 2]" 1
1598 1 87 LEU QD 1 90 ARG QD 3.910 . 3.910 2.697 1.835 3.964 0.054 7 0 "[ . 1 . 2]" 1
1599 1 87 LEU QD 1 90 ARG QG 5.280 . 5.280 3.239 2.200 3.923 . 0 0 "[ . 1 . 2]" 1
1600 1 88 TRP H 1 88 TRP HB2 3.440 . 3.440 2.553 2.429 2.798 . 0 0 "[ . 1 . 2]" 1
1601 1 88 TRP H 1 88 TRP QB 2.950 . 2.950 2.137 2.067 2.258 . 0 0 "[ . 1 . 2]" 1
1602 1 88 TRP H 1 88 TRP HB3 3.440 . 3.440 2.298 2.173 2.434 . 0 0 "[ . 1 . 2]" 1
1603 1 88 TRP H 1 89 GLU H 3.430 . 3.430 2.677 2.445 2.836 . 0 0 "[ . 1 . 2]" 1
1604 1 88 TRP H 1 90 ARG H 4.540 . 4.540 3.854 3.568 4.092 . 0 0 "[ . 1 . 2]" 1
1605 1 88 TRP HA 1 88 TRP HD1 4.270 . 4.270 2.895 2.787 3.082 . 0 0 "[ . 1 . 2]" 1
1606 1 88 TRP HA 1 88 TRP HE3 5.500 . 5.500 4.878 4.687 4.972 . 0 0 "[ . 1 . 2]" 1
1607 1 88 TRP HA 1 91 GLY H 5.500 . 5.500 3.388 3.045 3.614 . 0 0 "[ . 1 . 2]" 1
1608 1 88 TRP QB 1 88 TRP HE3 3.550 . 3.550 2.409 2.334 2.491 . 0 0 "[ . 1 . 2]" 1
1609 1 88 TRP QB 1 89 GLU H 3.500 . 3.500 2.431 2.329 2.570 . 0 0 "[ . 1 . 2]" 1
1610 1 88 TRP HB2 1 89 GLU H 4.100 . 4.100 3.829 3.745 3.951 . 0 0 "[ . 1 . 2]" 1
1611 1 88 TRP HB3 1 89 GLU H 4.100 . 4.100 2.459 2.353 2.604 . 0 0 "[ . 1 . 2]" 1
1612 1 88 TRP HD1 1 89 GLU H 5.500 . 5.500 5.390 5.352 5.446 . 0 0 "[ . 1 . 2]" 1
1613 1 88 TRP HE3 1 89 GLU H 3.740 . 3.740 3.000 2.644 3.322 . 0 0 "[ . 1 . 2]" 1
1614 1 88 TRP HE3 1 89 GLU HA 3.620 . 3.620 3.734 3.172 4.106 0.486 2 0 "[ . 1 . 2]" 1
1615 1 88 TRP HE3 1 89 GLU QB 4.230 . 4.230 4.058 3.752 4.564 0.334 2 0 "[ . 1 . 2]" 1
1616 1 88 TRP HE3 1 89 GLU HG2 4.030 . 4.030 2.822 2.124 3.407 . 0 0 "[ . 1 . 2]" 1
1617 1 88 TRP HE3 1 89 GLU QG 3.460 . 3.460 2.118 1.912 2.688 . 0 0 "[ . 1 . 2]" 1
1618 1 88 TRP HE3 1 89 GLU HG3 4.030 . 4.030 2.413 1.937 4.078 0.048 16 0 "[ . 1 . 2]" 1
1619 1 88 TRP HZ3 1 89 GLU H 4.840 . 4.840 5.107 4.762 5.404 0.564 2 2 "[ + . - 1 . 2]" 1
1620 1 88 TRP HZ3 1 89 GLU HA 4.630 . 4.630 4.648 3.927 5.128 0.498 19 0 "[ . 1 . 2]" 1
1621 1 88 TRP HZ3 1 89 GLU QB 5.050 . 5.050 4.947 4.528 5.564 0.514 2 1 "[ + . 1 . 2]" 1
1622 1 88 TRP HZ3 1 89 GLU QG 4.170 . 4.170 2.912 2.432 3.915 . 0 0 "[ . 1 . 2]" 1
1623 1 89 GLU H 1 89 GLU QB 3.470 . 3.470 2.416 2.300 2.561 . 0 0 "[ . 1 . 2]" 1
1624 1 89 GLU H 1 89 GLU HG2 4.090 . 4.090 3.286 2.062 3.754 . 0 0 "[ . 1 . 2]" 1
1625 1 89 GLU H 1 89 GLU QG 3.580 . 3.580 2.234 2.024 2.512 . 0 0 "[ . 1 . 2]" 1
1626 1 89 GLU H 1 89 GLU HG3 4.090 . 4.090 2.452 2.047 3.685 . 0 0 "[ . 1 . 2]" 1
1627 1 89 GLU H 1 90 ARG H 3.400 . 3.400 2.620 2.510 2.762 . 0 0 "[ . 1 . 2]" 1
1628 1 89 GLU H 1 90 ARG HB2 5.500 . 5.500 4.885 4.483 5.272 . 0 0 "[ . 1 . 2]" 1
1629 1 89 GLU HA 1 89 GLU HG2 3.950 . 3.950 2.575 2.323 3.082 . 0 0 "[ . 1 . 2]" 1
1630 1 89 GLU HA 1 89 GLU QG 3.360 . 3.360 2.459 2.242 2.959 . 0 0 "[ . 1 . 2]" 1
1631 1 89 GLU HA 1 89 GLU HG3 3.950 . 3.950 3.128 2.762 3.813 . 0 0 "[ . 1 . 2]" 1
1632 1 89 GLU HA 1 92 GLN H 4.320 . 4.320 3.934 3.138 5.146 0.826 20 2 "[ . 1 - +]" 1
1633 1 89 GLU HA 1 92 GLN HG2 4.740 . 4.740 3.797 2.654 5.076 0.336 5 0 "[ . 1 . 2]" 1
1634 1 89 GLU HA 1 92 GLN QG 4.040 . 4.040 3.006 1.894 4.268 0.228 16 0 "[ . 1 . 2]" 1
1635 1 89 GLU HA 1 92 GLN HG3 4.740 . 4.740 3.274 1.928 4.813 0.073 16 0 "[ . 1 . 2]" 1
1636 1 89 GLU QB 1 90 ARG H . . 3.860 2.829 2.337 3.146 . 0 0 "[ . 1 . 2]" 1
1637 1 89 GLU QB 1 90 ARG HA 5.500 . 5.500 3.997 3.786 4.170 . 0 0 "[ . 1 . 2]" 1
1638 1 89 GLU QG 1 90 ARG H 5.040 . 5.040 4.141 3.847 4.382 . 0 0 "[ . 1 . 2]" 1
1639 1 90 ARG H 1 90 ARG HB2 3.420 . 3.420 2.505 2.267 2.731 . 0 0 "[ . 1 . 2]" 1
1640 1 90 ARG H 1 90 ARG QG 4.150 . 4.150 2.456 2.071 3.597 . 0 0 "[ . 1 . 2]" 1
1641 1 90 ARG H 1 91 GLY H 3.320 . 3.320 2.356 2.103 2.563 . 0 0 "[ . 1 . 2]" 1
1642 1 90 ARG HA 1 90 ARG HD2 5.150 . 5.150 4.215 2.082 4.805 . 0 0 "[ . 1 . 2]" 1
1643 1 90 ARG HA 1 90 ARG QD 4.290 . 4.290 3.637 2.071 4.229 . 0 0 "[ . 1 . 2]" 1
1644 1 90 ARG HA 1 90 ARG HD3 5.150 . 5.150 4.126 3.002 4.698 . 0 0 "[ . 1 . 2]" 1
1645 1 90 ARG HA 1 90 ARG QG 3.600 . 3.600 2.633 2.392 3.127 . 0 0 "[ . 1 . 2]" 1
1646 1 90 ARG HB2 1 91 GLY H 4.230 . 4.230 2.838 2.439 3.359 . 0 0 "[ . 1 . 2]" 1
1647 1 90 ARG HB3 1 90 ARG HD2 4.140 . 4.140 3.197 2.470 3.773 . 0 0 "[ . 1 . 2]" 1
1648 1 90 ARG HB3 1 90 ARG HD3 4.140 . 4.140 2.805 2.340 3.806 . 0 0 "[ . 1 . 2]" 1
1649 1 90 ARG HB3 1 91 GLY H 3.940 . 3.940 3.845 3.569 3.990 0.050 6 0 "[ . 1 . 2]" 1
1650 1 90 ARG QG 1 91 GLY H 5.010 . 5.010 4.077 3.582 4.878 . 0 0 "[ . 1 . 2]" 1
1651 1 91 GLY H 1 92 GLN H 4.050 . 4.050 2.753 2.311 3.447 . 0 0 "[ . 1 . 2]" 1
1652 1 91 GLY QA 1 94 GLU QB . . 4.260 7.780 5.616 9.150 4.890 9 20 [*****-**+***********] 1
1653 1 91 GLY QA 1 94 GLU QG . . 3.910 6.820 3.751 8.984 5.074 9 19 "[**-** **+***********]" 1
1654 1 92 GLN H 1 92 GLN HB2 4.130 . 4.130 3.229 2.296 3.842 . 0 0 "[ . 1 . 2]" 1
1655 1 92 GLN H 1 92 GLN QB 3.570 . 3.570 2.847 2.268 3.449 . 0 0 "[ . 1 . 2]" 1
1656 1 92 GLN H 1 92 GLN HB3 4.130 . 4.130 3.512 2.783 4.134 0.004 16 0 "[ . 1 . 2]" 1
1657 1 92 GLN H 1 92 GLN HG2 3.980 . 3.980 2.901 2.030 3.697 . 0 0 "[ . 1 . 2]" 1
1658 1 92 GLN H 1 92 GLN QG 3.230 . 3.230 2.406 1.998 2.993 . 0 0 "[ . 1 . 2]" 1
1659 1 92 GLN H 1 92 GLN HG3 3.980 . 3.980 2.997 2.134 4.050 0.070 9 0 "[ . 1 . 2]" 1
1660 1 92 GLN HA 1 92 GLN QG 3.670 . 3.670 2.854 2.403 3.491 . 0 0 "[ . 1 . 2]" 1
1661 1 92 GLN HA 1 95 ASP H 4.970 . 4.970 6.979 4.405 9.697 4.727 18 17 "[* * *** ****-****+**]" 1
1662 1 93 ARG H 1 93 ARG HB2 3.890 . 3.890 3.528 2.517 3.953 0.063 6 0 "[ . 1 . 2]" 1
1663 1 93 ARG H 1 93 ARG HB3 3.890 . 3.890 2.945 2.373 3.549 . 0 0 "[ . 1 . 2]" 1
1664 1 93 ARG H 1 93 ARG QD 4.640 . 4.640 3.644 1.764 4.422 0.036 11 0 "[ . 1 . 2]" 1
1665 1 93 ARG H 1 93 ARG QG 4.540 . 4.540 2.944 1.984 4.228 . 0 0 "[ . 1 . 2]" 1
1666 1 93 ARG H 1 94 GLU QG 4.590 . 4.590 3.741 2.133 5.076 0.486 15 0 "[ . 1 . 2]" 1
1667 1 93 ARG HA 1 93 ARG QD 4.420 . 4.420 3.618 1.931 4.488 0.068 2 0 "[ . 1 . 2]" 1
1668 1 93 ARG HA 1 93 ARG QG 3.470 . 3.470 3.231 2.647 3.561 0.091 1 0 "[ . 1 . 2]" 1
1669 1 93 ARG HA 1 95 ASP H 4.670 . 4.670 5.138 3.136 6.586 1.916 14 11 "[ * .* *** +****-2]" 1
1670 1 93 ARG QB 1 93 ARG QD 3.190 . 3.190 2.270 2.090 2.405 . 0 0 "[ . 1 . 2]" 1
1671 1 93 ARG HB2 1 93 ARG QD 3.800 . 3.800 2.700 2.300 3.363 . 0 0 "[ . 1 . 2]" 1
1672 1 93 ARG HB3 1 93 ARG QD 3.800 . 3.800 2.696 2.147 3.297 . 0 0 "[ . 1 . 2]" 1
1673 1 93 ARG QD 1 94 GLU HA 5.500 . 5.500 5.078 3.729 5.629 0.129 7 0 "[ . 1 . 2]" 1
1674 1 93 ARG QG 1 94 GLU HA 5.340 . 5.340 3.807 3.292 4.280 . 0 0 "[ . 1 . 2]" 1
1675 1 94 GLU H 1 94 GLU QB 3.490 . 3.490 2.840 2.440 3.394 . 0 0 "[ . 1 . 2]" 1
1676 1 94 GLU H 1 94 GLU QG 3.760 . 3.760 2.554 1.998 3.111 . 0 0 "[ . 1 . 2]" 1
1677 1 94 GLU H 1 95 ASP H 4.380 . 4.380 3.528 1.987 4.579 0.199 15 0 "[ . 1 . 2]" 1
1678 1 94 GLU HA 1 94 GLU QG 3.880 . 3.880 2.852 2.304 3.596 . 0 0 "[ . 1 . 2]" 1
1679 1 94 GLU HA 1 95 ASP H 3.510 . 3.510 2.609 2.042 3.520 0.010 1 0 "[ . 1 . 2]" 1
1680 1 94 GLU QB 1 95 ASP H 4.530 . 4.530 3.192 1.782 3.981 0.018 15 0 "[ . 1 . 2]" 1
1681 1 95 ASP H 1 95 ASP QB 3.160 . 3.160 2.579 2.234 3.238 0.078 7 0 "[ . 1 . 2]" 1
1682 1 95 ASP H 1 96 LEU H 4.730 . 4.730 3.977 2.207 4.603 . 0 0 "[ . 1 . 2]" 1
1683 1 95 ASP HA 1 96 LEU H 3.040 . 3.040 2.581 2.022 3.266 0.226 13 0 "[ . 1 . 2]" 1
1684 1 95 ASP QB 1 96 LEU H 3.650 . 3.650 2.806 1.951 3.651 0.001 1 0 "[ . 1 . 2]" 1
1685 1 95 ASP QB 1 96 LEU QB 4.600 . 4.600 4.156 3.108 4.671 0.071 10 0 "[ . 1 . 2]" 1
1686 1 95 ASP HB2 1 96 LEU H 4.270 . 4.270 3.477 2.182 4.279 0.009 16 0 "[ . 1 . 2]" 1
1687 1 95 ASP HB3 1 96 LEU H 4.270 . 4.270 3.240 1.997 4.268 . 0 0 "[ . 1 . 2]" 1
1688 1 96 LEU H 1 96 LEU QB 2.890 . 2.890 2.574 2.162 2.980 0.090 18 0 "[ . 1 . 2]" 1
1689 1 96 LEU HA 1 96 LEU QD 3.370 . 3.370 2.433 2.074 3.402 0.032 6 0 "[ . 1 . 2]" 1
1690 1 96 LEU HA 1 96 LEU HG 3.640 . 3.640 3.206 2.512 3.732 0.092 8 0 "[ . 1 . 2]" 1
1691 1 96 LEU HA 1 97 VAL H 3.410 . 3.410 2.648 1.994 3.498 0.088 16 0 "[ . 1 . 2]" 1
1692 1 96 LEU QB 1 97 VAL QG 5.340 . 5.340 3.910 2.627 4.760 . 0 0 "[ . 1 . 2]" 1
1693 1 96 LEU QD 1 97 VAL H 4.490 . 4.490 2.793 2.002 4.042 . 0 0 "[ . 1 . 2]" 1
1694 1 96 LEU HG 1 97 VAL H 3.980 . 3.980 3.028 2.045 3.957 . 0 0 "[ . 1 . 2]" 1
1695 1 96 LEU HG 1 97 VAL HB 4.280 . 4.280 4.296 2.710 4.857 0.577 1 7 "[+ *** 1- . **2]" 1
1696 1 97 VAL H 1 97 VAL HB 3.550 . 3.550 2.946 2.341 3.627 0.077 3 0 "[ . 1 . 2]" 1
1697 1 97 VAL H 1 97 VAL QG 3.420 . 3.420 2.332 1.809 2.823 . 0 0 "[ . 1 . 2]" 1
1698 1 97 VAL HA 1 97 VAL QG 3.260 . 3.260 2.209 2.126 2.364 . 0 0 "[ . 1 . 2]" 1
1699 1 97 VAL QG 1 98 ARG HA 4.870 . 4.870 3.913 3.322 4.514 . 0 0 "[ . 1 . 2]" 1
1700 1 97 VAL QG 1 98 ARG QD 4.840 . 4.840 4.447 2.936 5.311 0.471 10 0 "[ . 1 . 2]" 1
1701 1 97 VAL QG 1 98 ARG QG 5.500 . 5.500 3.715 1.798 5.337 0.002 12 0 "[ . 1 . 2]" 1
1702 1 97 VAL QG 1 99 ASP QB 5.340 . 5.340 4.462 2.095 5.436 0.096 12 0 "[ . 1 . 2]" 1
1703 1 98 ARG H 1 98 ARG QB 3.500 . 3.500 2.787 2.299 3.466 . 0 0 "[ . 1 . 2]" 1
1704 1 100 THR H 1 101 VAL QG 4.440 . 4.440 3.695 2.612 4.558 0.118 4 0 "[ . 1 . 2]" 1
1705 1 100 THR HA 1 100 THR MG 3.490 . 3.490 2.320 2.165 2.424 . 0 0 "[ . 1 . 2]" 1
1706 1 100 THR HB 1 101 VAL QG 4.260 . 4.260 3.564 2.579 4.442 0.182 14 0 "[ . 1 . 2]" 1
1707 1 101 VAL H 1 101 VAL QG 4.050 . 4.050 2.195 1.793 2.849 0.007 5 0 "[ . 1 . 2]" 1
1708 1 101 VAL HB 1 102 GLU H 4.880 . 4.880 3.398 1.973 4.421 . 0 0 "[ . 1 . 2]" 1
1709 1 101 VAL QG 1 102 GLU H 4.240 . 4.240 3.102 2.335 3.648 . 0 0 "[ . 1 . 2]" 1
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