NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
380498 |
1ieh   |
4969 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ieh
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 2108
_Distance_constraint_stats_list.Viol_count 1565
_Distance_constraint_stats_list.Viol_total 7448.238
_Distance_constraint_stats_list.Viol_max 6.124
_Distance_constraint_stats_list.Viol_rms 0.2620
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0353
_Distance_constraint_stats_list.Viol_average_violations_only 0.4759
_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 1 ASP 0.000 0.000 . 0 "[ . 1]"
1 2 VAL 11.722 1.188 1 9 "[+-**** ***]"
1 3 GLN 1.321 0.264 9 0 "[ . 1]"
1 4 LEU 50.491 2.215 8 10 [*****-*+**]
1 5 GLN 5.041 0.796 7 4 "[* .*+ *]"
1 6 ALA 0.500 0.243 9 0 "[ . 1]"
1 7 SER 0.029 0.016 6 0 "[ . 1]"
1 8 GLY 0.132 0.104 9 0 "[ . 1]"
1 9 GLY 2.977 0.738 3 1 "[ + . 1]"
1 10 GLY 5.719 1.039 9 5 "[* - * * +1]"
1 11 LEU 4.504 1.477 10 3 "[ * . -+]"
1 12 VAL 7.256 0.631 7 3 "[ . + -*]"
1 13 GLN 7.870 0.795 1 5 "[+ . **-*]"
1 14 PRO 3.632 0.969 2 4 "[ + . ** -]"
1 15 GLY 0.362 0.197 8 0 "[ . 1]"
1 16 GLY 5.971 0.795 1 1 "[+ . 1]"
1 17 SER 18.432 1.455 5 10 [-***+*****]
1 18 LEU 6.931 0.663 7 4 "[* - . +* 1]"
1 19 ARG 17.988 1.455 5 10 [****+*****]
1 20 VAL 10.163 0.940 7 6 "[* * -*+ *1]"
1 21 SER 0.537 0.283 7 0 "[ . 1]"
1 22 CYS 0.538 0.163 3 0 "[ . 1]"
1 23 ALA 3.172 0.796 7 4 "[* .-+ *]"
1 24 ALA 9.744 1.186 9 7 "[ ** ** -+*]"
1 25 SER 0.237 0.237 6 0 "[ . 1]"
1 26 GLY 0.374 0.237 6 0 "[ . 1]"
1 27 PHE 6.222 0.588 6 1 "[ .+ 1]"
1 28 THR 0.779 0.393 10 0 "[ . 1]"
1 29 PHE 80.329 6.053 3 10 [**+**-****]
1 30 SER 7.853 2.204 2 5 "[ + *. * *-]"
1 31 SER 0.071 0.071 5 0 "[ . 1]"
1 32 TYR 54.739 3.543 10 10 [*********+]
1 33 HIS 4.780 0.686 9 1 "[ . +1]"
1 34 MET 63.713 3.543 10 10 [*********+]
1 35 ALA 5.835 0.416 2 0 "[ . 1]"
1 36 TRP 24.098 0.940 7 10 [*****-+***]
1 37 VAL 16.806 0.634 8 3 "[ - . + *]"
1 38 ARG 29.130 1.476 2 10 [-+********]
1 39 GLN 2.911 0.613 7 1 "[ . + 1]"
1 40 ALA 14.897 1.477 10 9 "[ ********+]"
1 41 PRO 1.533 0.294 10 0 "[ . 1]"
1 42 GLY 1.785 0.944 1 1 "[+ . 1]"
1 43 LYS 5.447 0.944 1 4 "[+ * * -]"
1 44 GLY 0.028 0.025 7 0 "[ . 1]"
1 45 LEU 46.429 2.689 4 10 [**-+******]
1 46 GLU 5.297 0.630 3 2 "[ + . -]"
1 47 TRP 7.863 0.476 4 0 "[ . 1]"
1 48 VAL 26.016 0.964 4 9 "[***+* ***-]"
1 49 SER 20.215 0.964 4 10 [*-*+******]
1 50 THR 8.248 0.686 9 2 "[ - . +1]"
1 51 ILE 15.515 0.947 9 10 [*-******+*]
1 52 ASN 5.977 0.811 8 6 "[ * -* *+ *]"
1 53 PRO 14.657 2.851 8 6 "[-* ** *+ 1]"
1 54 GLY 1.956 0.811 8 1 "[ . + 1]"
1 55 ASP 0.000 0.000 . 0 "[ . 1]"
1 56 GLY 16.185 2.851 8 6 "[-* ** *+ 1]"
1 57 SER 54.964 6.053 3 10 [**+-******]
1 58 THR 8.064 0.652 2 2 "[ + - 1]"
1 59 TYR 6.281 0.669 7 3 "[ * . + -]"
1 60 TYR 13.894 0.947 9 10 [*-******+*]
1 61 ALA 1.826 0.208 8 0 "[ . 1]"
1 62 ASP 18.225 1.396 9 10 [-*******+*]
1 63 SER 0.147 0.065 9 0 "[ . 1]"
1 64 VAL 12.609 0.589 7 2 "[ - . + 1]"
1 65 LYS 23.328 1.396 9 10 [*******-+*]
1 66 GLY 2.839 0.662 2 2 "[ + . - 1]"
1 67 ARG 8.412 0.580 3 1 "[ + . 1]"
1 68 PHE 8.675 0.553 4 1 "[ +. 1]"
1 69 THR 13.958 1.235 4 9 "[***+* **-*]"
1 70 ILE 24.557 0.808 3 4 "[ *+-. * 1]"
1 71 SER 5.165 0.808 3 3 "[ *+ . - 1]"
1 72 ARG 8.272 0.732 3 3 "[ +-. *]"
1 73 ASP 5.408 0.662 2 3 "[ + . *- 1]"
1 74 ASN 8.774 2.204 2 5 "[ + *. * *-]"
1 75 ALA 2.471 0.573 4 2 "[ +. - 1]"
1 76 LYS 6.860 0.573 4 4 "[ * +. *- 1]"
1 77 ASN 45.920 4.068 10 10 [*******-*+]
1 78 THR 4.360 0.662 2 3 "[ + . *- 1]"
1 79 LEU 7.588 0.415 8 0 "[ . 1]"
1 80 TYR 2.257 0.414 7 0 "[ . 1]"
1 81 LEU 8.516 0.811 7 3 "[ **. + 1]"
1 82 GLN 6.646 0.723 4 1 "[ +. 1]"
1 83 MET 18.829 1.235 4 9 "[**-+* ****]"
1 84 ASN 8.060 1.166 4 4 "[ *-+. * 1]"
1 85 SER 5.262 0.562 3 1 "[ + . 1]"
1 86 LEU 22.695 1.455 5 10 [-***+*****]
1 87 LYS 6.376 0.638 8 3 "[ -*. + 1]"
1 88 SER 3.438 1.657 10 2 "[ . - +]"
1 89 GLU 1.135 0.270 1 0 "[ . 1]"
1 90 ASP 5.308 0.613 4 2 "[ +. -]"
1 91 THR 2.427 0.613 4 1 "[ +. 1]"
1 92 ALA 6.646 0.662 7 3 "[ - .*+ 1]"
1 93 VAL 12.038 1.070 6 7 "[ *-*.+***1]"
1 94 TYR 15.319 1.017 2 8 "[*+**-* **]"
1 95 TYR 106.505 6.124 4 10 [-**+******]
1 96 CYS 1.815 0.251 9 0 "[ . 1]"
1 97 ALA 13.554 0.933 10 4 "[ **-. +]"
1 98 LYS 124.337 4.678 4 10 [**-+******]
1 99 TYR 40.249 2.771 4 10 [***+******]
1 100 SER 14.249 1.466 3 9 [**+-.*****]
1 101 GLY 2.913 0.903 6 2 "[ -.+ 1]"
1 102 GLY 0.060 0.037 6 0 "[ . 1]"
1 103 ALA 25.784 2.771 4 10 [***+******]
1 104 LEU 19.275 1.339 1 5 "[+ - ** *]"
1 105 ASP 22.936 1.614 1 10 [+********-]
1 106 ALA 69.981 4.678 4 10 [***+****-*]
1 107 TRP 149.842 6.124 4 10 [***+*-****]
1 108 GLY 2.955 0.458 4 0 "[ . 1]"
1 109 GLN 2.493 0.565 7 1 "[ . + 1]"
1 110 GLY 5.722 1.088 4 5 "[-**+. * 1]"
1 111 THR 2.010 0.246 7 0 "[ . 1]"
1 112 GLN 8.218 1.477 10 3 "[ . - *+]"
1 113 VAL 12.551 1.161 10 9 "[******* -+]"
1 114 THR 5.736 0.752 5 3 "[ + * -1]"
1 115 VAL 7.485 1.657 10 2 "[ . - +]"
1 116 SER 2.400 0.752 5 3 "[ + * -1]"
1 117 SER 1.912 0.969 2 2 "[ + . - 1]"
1 118 GLN 1.710 0.669 7 2 "[ . + -]"
1 120 GLU 0.000 0.000 . 0 "[ . 1]"
1 121 GLN 0.000 0.000 . 0 "[ . 1]"
1 123 LEU 0.000 0.000 . 0 "[ . 1]"
1 124 ILE 0.212 0.079 2 0 "[ . 1]"
1 125 SER 0.081 0.051 1 0 "[ . 1]"
1 126 GLU 4.097 1.384 6 3 "[ *-+ 1]"
1 127 GLU 4.899 1.384 6 3 "[ *-+ 1]"
1 128 ASP 0.061 0.053 2 0 "[ . 1]"
1 129 LEU 4.828 1.384 6 3 "[ *-+ 1]"
1 130 ASN 0.008 0.008 9 0 "[ . 1]"
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 1 ASP HA 1 2 VAL QG 4.800 . 6.000 3.900 3.352 4.284 . 0 0 "[ . 1]" 1
2 1 1 ASP HB3 1 2 VAL QG 3.500 . 5.100 2.660 2.127 3.264 . 0 0 "[ . 1]" 1
3 1 1 ASP HB3 1 2 VAL QG 3.600 . 5.300 2.660 2.127 3.263 . 0 0 "[ . 1]" 1
4 1 2 VAL H 1 3 GLN H 4.600 . 6.000 3.768 2.329 4.035 . 0 0 "[ . 1]" 1
5 1 2 VAL HA 1 3 GLN H 2.500 . 3.300 2.259 2.129 2.933 . 0 0 "[ . 1]" 1
6 1 2 VAL HA 1 26 GLY HA3 3.900 . 5.800 3.575 2.874 4.391 . 0 0 "[ . 1]" 1
7 1 2 VAL HA 1 27 PHE QR 4.500 . 6.000 5.075 4.665 5.524 . 0 0 "[ . 1]" 1
8 1 2 VAL HB 1 3 GLN H 4.600 . 6.000 3.627 2.879 4.499 . 0 0 "[ . 1]" 1
9 1 2 VAL HB 1 24 ALA MB 3.500 . 5.000 4.695 4.112 4.886 . 0 0 "[ . 1]" 1
10 1 2 VAL HB 1 26 GLY HA3 4.200 . 6.000 3.118 1.995 4.722 0.005 5 0 "[ . 1]" 1
11 1 2 VAL HB 1 27 PHE QR 4.500 . 6.000 3.533 2.901 4.362 . 0 0 "[ . 1]" 1
12 1 2 VAL QG 1 3 GLN H 3.300 . 4.700 2.979 2.602 3.488 . 0 0 "[ . 1]" 1
13 1 2 VAL QG 1 3 GLN QB 3.900 . 5.800 3.845 3.514 4.006 . 0 0 "[ . 1]" 1
14 1 2 VAL QG 1 3 GLN QG 4.700 . 6.000 4.749 3.635 5.425 . 0 0 "[ . 1]" 1
15 1 2 VAL QG 1 3 GLN QG 4.200 . 6.000 4.527 3.596 5.019 . 0 0 "[ . 1]" 1
16 1 2 VAL QG 1 4 LEU HA 3.300 . 4.700 3.350 2.943 3.541 . 0 0 "[ . 1]" 1
17 1 2 VAL QG 1 4 LEU QB 3.000 . 4.200 3.110 2.691 3.383 . 0 0 "[ . 1]" 1
18 1 2 VAL QG 1 4 LEU HB2 3.400 . 4.900 1.987 1.765 2.727 0.135 8 0 "[ . 1]" 1
19 1 2 VAL QG 1 24 ALA MB 2.500 . 3.300 1.803 1.684 1.976 0.016 9 0 "[ . 1]" 1
20 1 2 VAL QG 1 4 LEU HG 2.800 . 3.700 1.821 1.535 2.591 0.365 9 0 "[ . 1]" 1
21 1 2 VAL QG 1 25 SER QB 3.500 . 5.100 2.656 1.663 3.024 0.237 6 0 "[ . 1]" 1
22 1 2 VAL QG 1 77 ASN QD 3.500 . 5.100 4.726 4.132 5.278 0.178 3 0 "[ . 1]" 1
23 1 2 VAL QG 1 25 SER H 3.900 . 5.800 3.707 2.823 5.084 . 0 0 "[ . 1]" 1
24 1 2 VAL QG 1 25 SER QB 4.900 . 6.000 4.930 4.559 5.991 . 0 0 "[ . 1]" 1
25 1 2 VAL QG 1 25 SER QB 3.400 . 4.900 2.778 2.179 3.289 . 0 0 "[ . 1]" 1
26 1 2 VAL QG 1 26 GLY HA3 5.400 . 6.000 2.812 1.667 3.361 0.133 6 0 "[ . 1]" 1
27 1 2 VAL QG 1 27 PHE H 4.400 . 6.000 3.526 3.056 3.930 . 0 0 "[ . 1]" 1
28 1 2 VAL QG 1 27 PHE HA 5.300 . 6.000 4.099 3.488 4.495 . 0 0 "[ . 1]" 1
29 1 2 VAL QG 1 27 PHE HB2 3.300 . 4.600 3.904 2.788 4.704 0.104 5 0 "[ . 1]" 1
30 1 2 VAL QG 1 27 PHE HB2 3.400 . 4.800 3.370 2.735 3.728 . 0 0 "[ . 1]" 1
31 1 2 VAL QG 1 27 PHE HB3 3.400 . 4.900 2.719 1.871 3.400 0.129 8 0 "[ . 1]" 1
32 1 2 VAL QG 1 27 PHE QR 3.400 . 4.800 2.195 1.698 2.983 0.302 3 0 "[ . 1]" 1
33 1 2 VAL QG 1 32 TYR QE 3.500 . 5.000 3.222 2.706 3.517 . 0 0 "[ . 1]" 1
34 1 2 VAL QG 1 107 TRP HA 4.900 . 6.000 6.853 6.174 7.188 1.188 1 9 "[+-**** ***]" 1
35 1 3 GLN H 1 4 LEU QD 4.800 . 6.000 3.671 3.319 4.369 . 0 0 "[ . 1]" 1
36 1 3 GLN H 1 24 ALA MB 3.800 . 5.600 4.522 4.084 4.758 . 0 0 "[ . 1]" 1
37 1 3 GLN H 1 24 ALA MB 3.200 . 4.500 2.371 2.138 2.615 . 0 0 "[ . 1]" 1
38 1 3 GLN QB 1 4 LEU H 3.400 . 4.800 3.353 2.796 3.716 . 0 0 "[ . 1]" 1
39 1 3 GLN QB 1 4 LEU QD 4.600 . 6.000 4.097 3.956 4.525 . 0 0 "[ . 1]" 1
40 1 3 GLN QB 1 25 SER QB 4.600 . 6.000 5.132 4.224 5.938 . 0 0 "[ . 1]" 1
41 1 3 GLN QG 1 4 LEU H 3.400 . 4.900 2.693 1.997 3.212 . 0 0 "[ . 1]" 1
42 1 3 GLN QG 1 4 LEU QD 4.200 . 5.600 3.126 2.305 3.871 . 0 0 "[ . 1]" 1
43 1 3 GLN QG 1 25 SER QB 3.700 . 5.400 3.967 3.068 5.024 . 0 0 "[ . 1]" 1
44 1 3 GLN QG 1 24 ALA MB 3.700 . 5.400 4.458 3.318 5.205 . 0 0 "[ . 1]" 1
45 1 3 GLN QG 1 107 TRP HE3 3.300 . 4.700 4.822 4.599 4.964 0.264 9 0 "[ . 1]" 1
46 1 3 GLN HG2 1 4 LEU HB2 4.800 . 6.000 4.437 3.648 5.025 . 0 0 "[ . 1]" 1
47 1 4 LEU H 1 5 GLN HA 3.700 . 5.400 2.151 1.435 3.147 0.565 7 1 "[ . + 1]" 1
48 1 4 LEU H 1 107 TRP HA 4.200 . 6.000 4.728 4.246 5.639 . 0 0 "[ . 1]" 1
49 1 4 LEU H 1 108 GLY QA 3.200 . 4.500 3.454 2.609 3.702 . 0 0 "[ . 1]" 1
50 1 4 LEU QB 1 5 GLN H 2.900 . 4.000 2.410 2.154 2.632 . 0 0 "[ . 1]" 1
51 1 4 LEU QB 1 6 ALA H 4.900 . 6.000 4.317 3.762 4.710 . 0 0 "[ . 1]" 1
52 1 4 LEU QB 1 24 ALA MB 2.900 . 4.000 2.102 1.676 3.126 0.124 10 0 "[ . 1]" 1
53 1 4 LEU QB 1 107 TRP HE1 5.500 . 6.000 6.283 6.090 6.416 0.416 2 0 "[ . 1]" 1
54 1 4 LEU QB 1 36 TRP HA 5.000 . 6.000 6.773 6.560 6.913 0.913 3 10 [**+**-****] 1
55 1 4 LEU QB 1 96 CYS H 3.800 . 5.600 3.849 3.418 4.238 . 0 0 "[ . 1]" 1
56 1 4 LEU QB 1 106 ALA MB 3.300 . 4.700 5.782 5.272 6.222 1.522 8 10 [***-***+**] 1
57 1 4 LEU QB 1 5 GLN H 3.200 . 4.400 2.417 2.157 2.642 . 0 0 "[ . 1]" 1
58 1 4 LEU QB 1 7 SER H 5.400 . 6.000 5.378 4.971 5.593 . 0 0 "[ . 1]" 1
59 1 4 LEU QB 1 108 GLY HA3 3.000 . 4.100 3.377 2.397 3.946 . 0 0 "[ . 1]" 1
60 1 4 LEU QB 1 96 CYS HB2 4.500 . 6.000 4.744 3.472 5.862 . 0 0 "[ . 1]" 1
61 1 4 LEU QB 1 108 GLY H 3.800 . 5.600 3.459 2.060 4.377 . 0 0 "[ . 1]" 1
62 1 4 LEU QB 1 108 GLY HA2 2.900 . 4.000 2.951 1.866 3.727 . 0 0 "[ . 1]" 1
63 1 4 LEU QB 1 108 GLY QA 3.200 . 4.500 2.688 1.806 3.006 0.094 4 0 "[ . 1]" 1
64 1 4 LEU HB3 1 79 LEU QD 3.000 . 4.100 3.731 3.624 3.844 . 0 0 "[ . 1]" 1
65 1 4 LEU QD 1 5 GLN H 3.700 . 5.400 3.774 3.201 4.029 . 0 0 "[ . 1]" 1
66 1 4 LEU QD 1 5 GLN H 5.000 . 6.000 3.715 3.138 3.950 . 0 0 "[ . 1]" 1
67 1 4 LEU QD 1 5 GLN H 3.800 . 5.600 3.527 3.062 3.704 . 0 0 "[ . 1]" 1
68 1 4 LEU QD 1 5 GLN HA 3.400 . 4.900 4.464 4.040 4.615 . 0 0 "[ . 1]" 1
69 1 4 LEU QD 1 6 ALA MB 4.000 . 6.000 4.146 4.005 4.298 . 0 0 "[ . 1]" 1
70 1 4 LEU QD 1 104 LEU HA 4.400 . 6.000 3.261 2.623 3.825 . 0 0 "[ . 1]" 1
71 1 4 LEU QD 1 22 CYS HA 4.000 . 6.000 3.834 3.541 4.031 . 0 0 "[ . 1]" 1
72 1 4 LEU QD 1 22 CYS HB2 4.600 . 6.000 4.313 3.851 4.620 . 0 0 "[ . 1]" 1
73 1 4 LEU QD 1 22 CYS HB3 5.300 . 6.000 4.435 3.505 4.842 . 0 0 "[ . 1]" 1
74 1 4 LEU QD 1 24 ALA HA 4.500 . 6.000 2.989 2.627 3.642 . 0 0 "[ . 1]" 1
75 1 4 LEU QD 1 24 ALA HA 3.400 . 4.300 2.911 2.623 3.145 . 0 0 "[ . 1]" 1
76 1 4 LEU QD 1 24 ALA MB 2.700 . 3.600 1.780 1.684 1.901 0.116 9 0 "[ . 1]" 1
77 1 4 LEU QD 1 24 ALA MB 2.800 . 3.800 1.817 1.733 1.994 0.067 9 0 "[ . 1]" 1
78 1 4 LEU QD 1 25 SER H 3.800 . 5.600 3.018 2.292 4.201 . 0 0 "[ . 1]" 1
79 1 4 LEU QD 1 27 PHE QR 3.300 . 4.700 2.707 2.404 3.452 . 0 0 "[ . 1]" 1
80 1 4 LEU QD 1 27 PHE QD 3.200 . 4.400 1.821 1.704 1.912 0.296 8 0 "[ . 1]" 1
81 1 4 LEU QD 1 34 MET ME 3.000 . 4.100 1.888 1.717 2.597 0.183 3 0 "[ . 1]" 1
82 1 4 LEU QD 1 96 CYS H 4.100 . 6.000 3.391 2.892 3.638 . 0 0 "[ . 1]" 1
83 1 4 LEU QD 1 96 CYS HA 4.000 . 6.000 3.117 2.473 3.444 . 0 0 "[ . 1]" 1
84 1 4 LEU QD 1 96 CYS HB2 4.100 . 6.000 3.405 2.315 4.296 . 0 0 "[ . 1]" 1
85 1 4 LEU QD 1 96 CYS HB3 4.200 . 6.000 3.836 3.473 4.038 . 0 0 "[ . 1]" 1
86 1 4 LEU QD 1 97 ALA H 3.700 . 5.400 3.174 2.865 3.372 . 0 0 "[ . 1]" 1
87 1 4 LEU QD 1 97 ALA H 4.600 . 6.000 3.489 3.149 3.759 . 0 0 "[ . 1]" 1
88 1 4 LEU QD 1 97 ALA HA 3.700 . 5.400 1.875 1.700 2.154 0.300 4 0 "[ . 1]" 1
89 1 4 LEU QD 1 106 ALA H 3.100 . 4.300 2.741 1.939 3.032 . 0 0 "[ . 1]" 1
90 1 4 LEU QD 1 105 ASP QB 4.000 . 6.000 4.690 4.238 5.043 . 0 0 "[ . 1]" 1
91 1 4 LEU QD 1 106 ALA HA 4.000 . 6.000 4.381 3.147 5.221 . 0 0 "[ . 1]" 1
92 1 4 LEU QD 1 106 ALA HA 4.100 . 5.800 3.352 2.572 3.763 . 0 0 "[ . 1]" 1
93 1 4 LEU QD 1 106 ALA MB 2.700 . 3.600 5.132 4.099 5.815 2.215 8 9 "[*** ***+-*]" 1
94 1 4 LEU QD 1 107 TRP H 3.700 . 5.500 3.325 1.828 5.044 0.072 4 0 "[ . 1]" 1
95 1 4 LEU QD 1 107 TRP H 3.900 . 5.800 2.837 1.542 3.449 0.458 4 0 "[ . 1]" 1
96 1 4 LEU QD 1 107 TRP HA 3.300 . 4.600 4.699 3.419 5.288 0.688 8 3 "[ *- + 1]" 1
97 1 4 LEU QD 1 107 TRP HB2 3.600 . 5.200 2.678 1.914 3.177 0.086 9 0 "[ . 1]" 1
98 1 4 LEU QD 1 107 TRP QB 4.200 . 5.600 2.626 1.904 3.101 0.096 9 0 "[ . 1]" 1
99 1 4 LEU QD 1 107 TRP HB3 4.200 . 6.000 3.846 2.939 4.332 . 0 0 "[ . 1]" 1
100 1 4 LEU QD 1 107 TRP HE1 6.000 . 6.000 5.517 4.715 5.828 . 0 0 "[ . 1]" 1
101 1 4 LEU QD 1 107 TRP HE3 3.200 . 4.500 1.824 1.707 1.914 0.193 8 0 "[ . 1]" 1
102 1 4 LEU QD 1 108 GLY H 3.500 . 5.000 3.198 1.660 3.946 0.340 4 0 "[ . 1]" 1
103 1 4 LEU HG 1 108 GLY HA2 3.200 . 4.500 3.699 3.474 3.971 . 0 0 "[ . 1]" 1
104 1 4 LEU HG 1 22 CYS HB3 4.900 . 6.000 5.426 4.968 5.658 . 0 0 "[ . 1]" 1
105 1 4 LEU HG 1 97 ALA H 3.600 . 5.300 3.781 3.488 4.044 . 0 0 "[ . 1]" 1
106 1 4 LEU HG 1 97 ALA MB 2.800 . 3.800 3.446 3.369 3.537 . 0 0 "[ . 1]" 1
107 1 5 GLN H 1 6 ALA HA 3.900 . 5.800 3.275 2.884 3.524 . 0 0 "[ . 1]" 1
108 1 5 GLN H 1 6 ALA MB 4.200 . 6.000 4.138 3.555 4.425 . 0 0 "[ . 1]" 1
109 1 5 GLN H 1 7 SER H 5.900 . 6.000 4.387 3.799 4.708 . 0 0 "[ . 1]" 1
110 1 5 GLN H 1 22 CYS HA 4.800 . 6.000 4.579 4.210 4.822 . 0 0 "[ . 1]" 1
111 1 5 GLN H 1 24 ALA HA 4.000 . 6.000 3.121 2.682 3.852 . 0 0 "[ . 1]" 1
112 1 5 GLN H 1 24 ALA MB 4.600 . 6.000 3.833 3.550 4.198 . 0 0 "[ . 1]" 1
113 1 5 GLN HA 1 6 ALA H 2.300 . 3.000 2.175 2.140 2.271 . 0 0 "[ . 1]" 1
114 1 5 GLN HA 1 6 ALA MB 3.400 . 4.900 2.593 1.994 3.060 . 0 0 "[ . 1]" 1
115 1 5 GLN HA 1 109 GLN HB2 3.000 . 4.200 2.458 1.904 2.920 . 0 0 "[ . 1]" 1
116 1 5 GLN HA 1 22 CYS HA 3.400 . 4.900 4.227 4.202 4.266 . 0 0 "[ . 1]" 1
117 1 5 GLN HA 1 109 GLN HB3 3.600 . 5.200 4.430 3.596 4.996 . 0 0 "[ . 1]" 1
118 1 5 GLN HA 1 109 GLN QG 3.400 . 4.800 3.288 2.371 4.034 . 0 0 "[ . 1]" 1
119 1 5 GLN QB 1 6 ALA H 3.400 . 4.900 3.678 3.306 4.000 . 0 0 "[ . 1]" 1
120 1 5 GLN QB 1 7 SER H 4.000 . 6.000 4.554 4.079 5.555 . 0 0 "[ . 1]" 1
121 1 5 GLN QB 1 23 ALA H 3.700 . 5.400 3.730 3.348 4.165 . 0 0 "[ . 1]" 1
122 1 5 GLN QB 1 23 ALA MB 3.300 . 4.700 3.175 2.552 3.624 . 0 0 "[ . 1]" 1
123 1 5 GLN QB 1 109 GLN QG 3.200 . 4.500 3.350 2.221 4.014 . 0 0 "[ . 1]" 1
124 1 5 GLN HE21 1 23 ALA H 5.100 . 6.000 5.324 4.923 5.638 . 0 0 "[ . 1]" 1
125 1 5 GLN HE22 1 109 GLN HG3 3.900 . 5.800 5.261 4.131 6.155 0.355 3 0 "[ . 1]" 1
126 1 5 GLN QG 1 6 ALA H 2.900 . 4.000 2.412 1.798 2.795 0.002 7 0 "[ . 1]" 1
127 1 5 GLN QG 1 6 ALA MB 3.500 . 5.000 3.309 1.995 3.738 0.005 9 0 "[ . 1]" 1
128 1 5 GLN QG 1 23 ALA H 3.400 . 4.800 4.497 3.948 4.951 0.151 4 0 "[ . 1]" 1
129 1 5 GLN QG 1 23 ALA MB 2.800 . 3.800 3.965 2.932 4.596 0.796 7 4 "[* .-+ *]" 1
130 1 6 ALA H 1 7 SER H 4.700 . 6.000 4.502 4.383 4.567 . 0 0 "[ . 1]" 1
131 1 6 ALA H 1 22 CYS HA 5.000 . 6.000 4.541 4.184 4.874 . 0 0 "[ . 1]" 1
132 1 6 ALA H 1 36 TRP HH2 5.400 . 6.000 5.344 5.141 5.642 . 0 0 "[ . 1]" 1
133 1 6 ALA H 1 109 GLN HB2 4.300 . 6.000 2.670 1.913 3.686 . 0 0 "[ . 1]" 1
134 1 6 ALA H 1 109 GLN HB3 4.600 . 6.000 3.686 2.401 4.490 . 0 0 "[ . 1]" 1
135 1 6 ALA H 1 109 GLN QG 4.000 . 6.000 3.634 1.816 4.277 0.184 9 0 "[ . 1]" 1
136 1 6 ALA H 1 111 THR MG 6.000 . 6.000 5.453 4.949 5.925 . 0 0 "[ . 1]" 1
137 1 6 ALA HA 1 7 SER H 2.400 . 3.100 2.212 2.137 2.403 . 0 0 "[ . 1]" 1
138 1 6 ALA HA 1 20 VAL MG1 4.700 . 6.000 5.060 2.946 5.346 . 0 0 "[ . 1]" 1
139 1 6 ALA HA 1 22 CYS HA 2.600 . 3.400 1.977 1.838 2.358 . 0 0 "[ . 1]" 1
140 1 6 ALA HA 1 22 CYS HA 2.700 . 3.600 1.980 1.840 2.366 . 0 0 "[ . 1]" 1
141 1 6 ALA HA 1 22 CYS HB2 3.900 . 5.800 3.004 2.344 4.337 . 0 0 "[ . 1]" 1
142 1 6 ALA HA 1 22 CYS QB 4.000 . 6.000 2.910 2.326 3.849 . 0 0 "[ . 1]" 1
143 1 6 ALA HA 1 22 CYS HB3 4.600 . 6.000 4.180 3.875 4.673 . 0 0 "[ . 1]" 1
144 1 6 ALA HA 1 23 ALA H 3.600 . 5.300 3.358 2.912 3.649 . 0 0 "[ . 1]" 1
145 1 6 ALA HA 1 23 ALA MB 4.100 . 6.000 4.917 4.471 5.240 . 0 0 "[ . 1]" 1
146 1 6 ALA HA 1 111 THR MG 3.400 . 4.900 4.480 4.024 4.884 . 0 0 "[ . 1]" 1
147 1 6 ALA MB 1 37 VAL QG 4.300 . 6.000 3.969 3.528 4.230 . 0 0 "[ . 1]" 1
148 1 6 ALA MB 1 7 SER H 3.100 . 4.300 2.892 2.473 3.288 . 0 0 "[ . 1]" 1
149 1 6 ALA MB 1 7 SER QB 3.600 . 5.200 4.379 4.192 4.548 . 0 0 "[ . 1]" 1
150 1 6 ALA MB 1 20 VAL MG1 4.200 . 6.000 3.941 3.408 4.142 . 0 0 "[ . 1]" 1
151 1 6 ALA MB 1 20 VAL MG1 3.900 . 5.800 4.220 3.386 4.525 . 0 0 "[ . 1]" 1
152 1 6 ALA MB 1 20 VAL MG2 4.600 . 6.000 4.337 3.743 5.114 . 0 0 "[ . 1]" 1
153 1 6 ALA MB 1 22 CYS H 3.800 . 5.600 3.570 3.269 3.733 . 0 0 "[ . 1]" 1
154 1 6 ALA MB 1 22 CYS H 5.000 . 6.000 4.396 4.247 4.593 . 0 0 "[ . 1]" 1
155 1 6 ALA MB 1 22 CYS HA 3.800 . 5.600 3.201 2.586 3.730 . 0 0 "[ . 1]" 1
156 1 6 ALA MB 1 22 CYS QB 3.600 . 5.200 2.380 2.031 3.620 . 0 0 "[ . 1]" 1
157 1 6 ALA MB 1 22 CYS HB2 2.900 . 4.000 2.036 1.824 2.316 . 0 0 "[ . 1]" 1
158 1 6 ALA MB 1 22 CYS HB2 3.400 . 4.800 2.418 2.046 3.826 . 0 0 "[ . 1]" 1
159 1 6 ALA MB 1 22 CYS HB3 3.100 . 4.300 2.235 1.960 2.538 . 0 0 "[ . 1]" 1
160 1 6 ALA MB 1 23 ALA H 3.600 . 5.200 4.516 3.845 4.901 . 0 0 "[ . 1]" 1
161 1 6 ALA MB 1 36 TRP HE3 4.500 . 6.000 4.661 4.211 5.000 . 0 0 "[ . 1]" 1
162 1 6 ALA MB 1 36 TRP HH2 2.900 . 3.900 2.385 2.008 2.802 . 0 0 "[ . 1]" 1
163 1 6 ALA MB 1 36 TRP HZ2 3.000 . 4.100 3.598 3.319 3.807 . 0 0 "[ . 1]" 1
164 1 6 ALA MB 1 96 CYS H 3.100 . 4.300 2.686 2.268 3.081 . 0 0 "[ . 1]" 1
165 1 6 ALA MB 1 109 GLN HG3 3.200 . 4.500 3.453 2.767 3.876 . 0 0 "[ . 1]" 1
166 1 6 ALA MB 1 110 GLY H 4.700 . 6.000 3.019 2.029 4.850 . 0 0 "[ . 1]" 1
167 1 6 ALA MB 1 110 GLY HA2 3.400 . 4.800 3.666 2.771 5.043 0.243 9 0 "[ . 1]" 1
168 1 6 ALA MB 1 110 GLY HA3 3.700 . 5.400 4.786 4.020 5.466 0.066 9 0 "[ . 1]" 1
169 1 6 ALA MB 1 111 THR H 2.900 . 3.900 3.037 2.692 3.347 . 0 0 "[ . 1]" 1
170 1 6 ALA MB 1 111 THR HB 3.200 . 4.500 3.085 2.764 3.453 . 0 0 "[ . 1]" 1
171 1 6 ALA MB 1 111 THR MG 2.500 . 3.300 2.661 2.250 3.110 . 0 0 "[ . 1]" 1
172 1 7 SER H 1 20 VAL MG1 5.300 . 6.000 5.579 3.892 6.016 0.016 6 0 "[ . 1]" 1
173 1 7 SER H 1 21 SER H 3.100 . 4.300 3.612 3.228 3.916 . 0 0 "[ . 1]" 1
174 1 7 SER H 1 21 SER H 3.300 . 4.600 3.567 3.220 3.846 . 0 0 "[ . 1]" 1
175 1 7 SER H 1 22 CYS HA 3.500 . 5.000 3.070 2.590 3.547 . 0 0 "[ . 1]" 1
176 1 7 SER H 1 22 CYS QB 5.000 . 6.000 4.068 3.729 4.767 . 0 0 "[ . 1]" 1
177 1 7 SER H 1 36 TRP HZ2 5.100 . 6.000 5.121 4.767 5.583 . 0 0 "[ . 1]" 1
178 1 7 SER H 1 111 THR MG 3.500 . 5.000 4.125 3.447 4.758 . 0 0 "[ . 1]" 1
179 1 7 SER HB3 1 20 VAL MG1 3.600 . 5.200 2.678 2.112 4.655 . 0 0 "[ . 1]" 1
180 1 8 GLY H 1 9 GLY H 4.400 . 6.000 2.336 1.796 4.238 0.104 9 0 "[ . 1]" 1
181 1 8 GLY HA2 1 9 GLY H 3.700 . 5.400 3.258 2.991 3.437 . 0 0 "[ . 1]" 1
182 1 8 GLY HA2 1 83 MET ME 4.200 . 6.000 5.279 4.876 5.553 . 0 0 "[ . 1]" 1
183 1 8 GLY HA2 1 20 VAL HB 4.500 . 6.000 4.163 3.771 4.752 . 0 0 "[ . 1]" 1
184 1 8 GLY HA2 1 20 VAL MG1 4.400 . 6.000 4.791 4.328 5.902 . 0 0 "[ . 1]" 1
185 1 8 GLY HA2 1 20 VAL MG1 4.000 . 6.000 4.067 3.550 4.392 . 0 0 "[ . 1]" 1
186 1 8 GLY HA2 1 21 SER H 4.700 . 6.000 4.605 4.094 4.908 . 0 0 "[ . 1]" 1
187 1 8 GLY HA3 1 20 VAL MG1 4.500 . 6.000 3.645 3.106 4.161 . 0 0 "[ . 1]" 1
188 1 8 GLY HA3 1 113 VAL MG1 3.700 . 5.400 3.541 3.433 3.789 . 0 0 "[ . 1]" 1
189 1 9 GLY H 1 10 GLY H 4.100 . 6.000 4.437 3.476 4.644 . 0 0 "[ . 1]" 1
190 1 9 GLY H 1 10 GLY H 3.700 . 5.400 3.913 3.354 4.013 . 0 0 "[ . 1]" 1
191 1 9 GLY H 1 18 LEU MD1 3.700 . 5.400 3.652 3.408 3.962 . 0 0 "[ . 1]" 1
192 1 9 GLY H 1 11 LEU MD1 4.200 . 6.000 5.107 4.312 5.815 . 0 0 "[ . 1]" 1
193 1 9 GLY H 1 18 LEU MD2 3.600 . 5.200 4.837 3.215 5.370 0.170 2 0 "[ . 1]" 1
194 1 9 GLY H 1 18 LEU MD2 3.400 . 4.900 2.758 1.868 4.187 0.032 2 0 "[ . 1]" 1
195 1 9 GLY H 1 113 VAL MG2 4.000 . 6.000 3.741 3.397 3.963 . 0 0 "[ . 1]" 1
196 1 9 GLY H 1 20 VAL HB 3.900 . 5.800 4.042 3.299 4.653 . 0 0 "[ . 1]" 1
197 1 9 GLY H 1 20 VAL MG1 3.500 . 5.100 3.756 1.981 5.487 0.387 7 0 "[ . 1]" 1
198 1 9 GLY H 1 20 VAL MG2 4.600 . 6.000 5.126 3.068 6.008 0.008 4 0 "[ . 1]" 1
199 1 9 GLY H 1 111 THR HB 3.600 . 5.300 3.576 3.186 4.298 . 0 0 "[ . 1]" 1
200 1 9 GLY H 1 111 THR MG 2.900 . 4.000 3.749 2.948 4.246 0.246 7 0 "[ . 1]" 1
201 1 9 GLY H 1 113 VAL MG1 5.800 . 6.000 5.920 5.241 6.102 0.102 8 0 "[ . 1]" 1
202 1 9 GLY H 1 113 VAL MG2 4.100 . 6.000 3.850 3.453 4.164 . 0 0 "[ . 1]" 1
203 1 9 GLY QA 1 10 GLY H 2.500 . 3.300 2.171 2.094 2.267 . 0 0 "[ . 1]" 1
204 1 9 GLY QA 1 18 LEU MD1 3.300 . 4.600 2.339 2.021 2.855 . 0 0 "[ . 1]" 1
205 1 9 GLY QA 1 113 VAL MG2 3.200 . 4.500 1.993 1.916 2.235 . 0 0 "[ . 1]" 1
206 1 9 GLY QA 1 11 LEU QB 3.700 . 5.400 4.198 3.465 4.988 . 0 0 "[ . 1]" 1
207 1 9 GLY QA 1 11 LEU QD 3.900 . 5.800 5.376 4.893 6.538 0.738 3 1 "[ + . 1]" 1
208 1 9 GLY QA 1 11 LEU MD1 3.300 . 4.700 2.807 1.964 3.559 . 0 0 "[ . 1]" 1
209 1 9 GLY QA 1 18 LEU QB 4.000 . 6.000 3.739 3.245 4.005 . 0 0 "[ . 1]" 1
210 1 9 GLY QA 1 18 LEU MD1 3.600 . 5.200 3.085 2.107 3.912 . 0 0 "[ . 1]" 1
211 1 9 GLY QA 1 18 LEU MD1 . . 3.800 2.837 2.091 3.322 . 0 0 "[ . 1]" 1
212 1 9 GLY QA 1 18 LEU MD2 4.100 . 6.000 2.945 2.611 3.381 . 0 0 "[ . 1]" 1
213 1 9 GLY QA 1 20 VAL MG1 4.000 . 4.900 2.708 2.113 4.920 0.020 7 0 "[ . 1]" 1
214 1 9 GLY QA 1 20 VAL MG1 3.800 . 5.600 2.648 2.113 4.326 . 0 0 "[ . 1]" 1
215 1 9 GLY QA 1 113 VAL HB 3.700 . 5.400 3.921 3.679 4.157 . 0 0 "[ . 1]" 1
216 1 9 GLY QA 1 83 MET ME 5.300 . 6.000 4.150 3.574 4.705 . 0 0 "[ . 1]" 1
217 1 9 GLY QA 1 111 THR MG 3.400 . 4.500 3.404 3.028 3.682 . 0 0 "[ . 1]" 1
218 1 9 GLY QA 1 112 GLN H 4.000 . 6.000 3.590 3.064 4.387 . 0 0 "[ . 1]" 1
219 1 9 GLY QA 1 113 VAL HA 4.900 . 6.000 3.019 2.707 3.498 . 0 0 "[ . 1]" 1
220 1 9 GLY QA 1 113 VAL MG1 4.200 . 6.000 3.580 3.477 3.847 . 0 0 "[ . 1]" 1
221 1 9 GLY QA 1 113 VAL MG2 3.800 . 3.800 1.994 1.917 2.238 0.083 2 0 "[ . 1]" 1
222 1 10 GLY H 1 11 LEU H 4.500 . 6.000 4.399 4.379 4.432 . 0 0 "[ . 1]" 1
223 1 10 GLY H 1 18 LEU MD1 3.200 . 4.500 2.109 1.854 2.813 0.046 8 0 "[ . 1]" 1
224 1 10 GLY H 1 18 LEU MD2 4.000 . 6.000 2.576 1.852 3.549 0.148 10 0 "[ . 1]" 1
225 1 10 GLY H 1 20 VAL HB 4.400 . 6.000 5.116 4.770 5.387 . 0 0 "[ . 1]" 1
226 1 10 GLY H 1 20 VAL MG1 4.100 . 6.000 3.975 3.429 6.748 0.748 7 1 "[ . + 1]" 1
227 1 10 GLY H 1 83 MET ME 3.900 . 5.800 4.634 4.214 5.001 . 0 0 "[ . 1]" 1
228 1 10 GLY H 1 86 LEU QD 4.600 . 6.000 6.286 5.151 7.039 1.039 9 4 "[* - * +1]" 1
229 1 10 GLY H 1 113 VAL HA 2.600 . 3.400 3.048 2.609 3.612 0.212 9 0 "[ . 1]" 1
230 1 10 GLY H 1 113 VAL MG1 3.500 . 5.100 3.172 2.791 3.531 . 0 0 "[ . 1]" 1
231 1 10 GLY H 1 113 VAL QG 2.700 . 3.600 2.653 2.407 2.902 . 0 0 "[ . 1]" 1
232 1 10 GLY H 1 113 VAL MG2 3.400 . 4.900 2.853 2.629 3.086 . 0 0 "[ . 1]" 1
233 1 10 GLY H 1 114 THR H 3.700 . 5.400 4.010 3.540 4.424 . 0 0 "[ . 1]" 1
234 1 10 GLY QA 1 18 LEU MD1 3.900 . 5.800 2.526 2.069 3.111 . 0 0 "[ . 1]" 1
235 1 10 GLY QA 1 18 LEU MD2 3.500 . 5.100 3.079 1.968 4.790 . 0 0 "[ . 1]" 1
236 1 10 GLY HA2 1 11 LEU H 2.600 . 3.500 2.602 2.512 2.631 . 0 0 "[ . 1]" 1
237 1 10 GLY HA2 1 11 LEU QB 6.000 . 6.000 4.148 3.928 4.798 . 0 0 "[ . 1]" 1
238 1 10 GLY HA2 1 11 LEU QB 4.700 . 6.000 3.944 3.435 4.062 . 0 0 "[ . 1]" 1
239 1 10 GLY HA2 1 11 LEU QD 4.100 . 6.000 3.731 3.361 4.539 . 0 0 "[ . 1]" 1
240 1 10 GLY HA2 1 11 LEU QD 4.500 . 6.000 3.613 3.347 4.187 . 0 0 "[ . 1]" 1
241 1 10 GLY HA2 1 113 VAL MG1 4.000 . 6.000 5.129 4.801 5.497 . 0 0 "[ . 1]" 1
242 1 10 GLY HA2 1 113 VAL MG2 4.300 . 6.000 5.095 4.637 5.440 . 0 0 "[ . 1]" 1
243 1 10 GLY HA3 1 11 LEU H 3.000 . 4.200 2.491 2.461 2.605 . 0 0 "[ . 1]" 1
244 1 10 GLY HA3 1 11 LEU QB 5.000 . 5.800 4.539 4.438 4.871 . 0 0 "[ . 1]" 1
245 1 10 GLY HA3 1 11 LEU QB 5.000 . 6.000 4.386 4.044 4.486 . 0 0 "[ . 1]" 1
246 1 10 GLY HA3 1 12 VAL QG 3.800 . 5.600 3.327 3.206 3.608 . 0 0 "[ . 1]" 1
247 1 10 GLY HA3 1 18 LEU MD1 3.900 . 5.800 2.581 2.082 3.232 . 0 0 "[ . 1]" 1
248 1 10 GLY HA3 1 18 LEU MD2 3.400 . 4.900 3.168 1.979 5.067 0.167 7 0 "[ . 1]" 1
249 1 11 LEU H 1 12 VAL H 4.400 . 6.000 4.313 4.129 4.459 . 0 0 "[ . 1]" 1
250 1 11 LEU HA 1 12 VAL H 2.200 . 2.800 2.158 2.125 2.185 . 0 0 "[ . 1]" 1
251 1 11 LEU HA 1 12 VAL HA 4.500 . 6.000 4.097 3.949 4.173 . 0 0 "[ . 1]" 1
252 1 11 LEU HA 1 12 VAL QG 4.200 . 6.000 3.480 3.136 4.224 . 0 0 "[ . 1]" 1
253 1 11 LEU HA 1 18 LEU MD1 3.800 . 5.600 3.600 3.047 4.144 . 0 0 "[ . 1]" 1
254 1 11 LEU HA 1 86 LEU QD 3.300 . 4.700 2.498 2.052 3.159 . 0 0 "[ . 1]" 1
255 1 11 LEU HA 1 114 THR H 2.900 . 4.000 3.182 2.741 3.383 . 0 0 "[ . 1]" 1
256 1 11 LEU HA 1 114 THR H 3.200 . 4.500 3.070 2.721 3.303 . 0 0 "[ . 1]" 1
257 1 11 LEU HA 1 114 THR HB 3.100 . 4.300 3.380 3.069 3.575 . 0 0 "[ . 1]" 1
258 1 11 LEU HA 1 114 THR MG 3.700 . 5.400 4.489 3.661 4.999 . 0 0 "[ . 1]" 1
259 1 11 LEU QB 1 12 VAL H 3.400 . 4.800 3.381 3.110 3.687 . 0 0 "[ . 1]" 1
260 1 11 LEU QB 1 18 LEU MD1 4.000 . 6.000 4.774 4.142 5.296 . 0 0 "[ . 1]" 1
261 1 11 LEU QB 1 112 GLN QG 3.800 . 5.600 5.799 5.039 7.077 1.477 10 2 "[ . -+]" 1
262 1 11 LEU QB 1 113 VAL MG1 3.900 . 5.800 4.920 4.422 5.228 . 0 0 "[ . 1]" 1
263 1 11 LEU QB 1 114 THR H 3.500 . 5.100 4.382 3.526 4.888 . 0 0 "[ . 1]" 1
264 1 11 LEU QB 1 116 SER HB2 3.800 . 5.600 4.362 3.175 5.425 . 0 0 "[ . 1]" 1
265 1 11 LEU QB 1 116 SER HB3 4.000 . 6.000 4.228 3.380 4.677 . 0 0 "[ . 1]" 1
266 1 11 LEU QB 1 12 VAL H 4.300 . 6.000 3.538 3.173 3.775 . 0 0 "[ . 1]" 1
267 1 11 LEU QB 1 114 THR H 4.600 . 6.000 4.986 4.524 5.205 . 0 0 "[ . 1]" 1
268 1 11 LEU QB 1 114 THR HB 4.700 . 6.000 4.321 3.775 4.604 . 0 0 "[ . 1]" 1
269 1 11 LEU QD 1 12 VAL HA 4.200 . 6.000 4.538 4.046 5.298 . 0 0 "[ . 1]" 1
270 1 11 LEU QD 1 12 VAL H 3.600 . 5.200 3.144 2.540 4.230 . 0 0 "[ . 1]" 1
271 1 11 LEU QD 1 12 VAL HA 4.100 . 6.000 4.379 3.952 5.007 . 0 0 "[ . 1]" 1
272 1 11 LEU QD 1 115 VAL HA 2.600 . 3.500 2.487 1.929 2.834 . 0 0 "[ . 1]" 1
273 1 11 LEU QD 1 91 THR MG 4.100 . 6.000 4.096 3.888 4.300 . 0 0 "[ . 1]" 1
274 1 11 LEU QD 1 112 GLN QG 4.100 . 6.000 4.223 3.393 5.437 . 0 0 "[ . 1]" 1
275 1 11 LEU QD 1 114 THR H 2.900 . 4.000 3.072 2.627 3.774 . 0 0 "[ . 1]" 1
276 1 11 LEU QD 1 114 THR H 3.600 . 5.200 2.728 2.187 3.275 . 0 0 "[ . 1]" 1
277 1 11 LEU QD 1 114 THR HB 2.900 . 3.900 1.970 1.821 2.470 0.079 10 0 "[ . 1]" 1
278 1 11 LEU QD 1 114 THR MG 2.600 . 3.500 2.494 1.929 2.969 . 0 0 "[ . 1]" 1
279 1 11 LEU QD 1 115 VAL H 3.900 . 5.900 3.915 3.528 4.504 . 0 0 "[ . 1]" 1
280 1 11 LEU QD 1 116 SER H 2.700 . 3.600 3.117 2.262 3.683 0.083 8 0 "[ . 1]" 1
281 1 11 LEU QD 1 116 SER HB2 2.800 . 3.800 2.814 1.964 3.571 . 0 0 "[ . 1]" 1
282 1 11 LEU QD 1 116 SER HB3 2.900 . 4.000 2.941 2.341 3.402 . 0 0 "[ . 1]" 1
283 1 11 LEU MD2 1 14 PRO HA 4.100 . 6.000 3.498 3.253 3.779 . 0 0 "[ . 1]" 1
284 1 11 LEU MD2 1 90 ASP H 3.700 . 5.400 4.125 3.496 4.587 . 0 0 "[ . 1]" 1
285 1 11 LEU HG 1 12 VAL H 4.300 . 6.000 4.696 3.355 5.309 . 0 0 "[ . 1]" 1
286 1 11 LEU HG 1 12 VAL QG 3.100 . 4.300 3.195 2.732 3.584 . 0 0 "[ . 1]" 1
287 1 11 LEU HG 1 113 VAL MG2 4.600 . 6.000 4.940 4.765 5.209 . 0 0 "[ . 1]" 1
288 1 11 LEU HG 1 113 VAL H 4.800 . 6.000 5.137 4.611 5.348 . 0 0 "[ . 1]" 1
289 1 11 LEU HG 1 112 GLN QE 3.500 . 5.100 4.026 3.459 4.640 . 0 0 "[ . 1]" 1
290 1 11 LEU HG 1 114 THR H 5.400 . 6.000 4.539 3.389 5.259 . 0 0 "[ . 1]" 1
291 1 11 LEU HG 1 114 THR HB 3.400 . 4.800 3.465 1.894 4.411 0.106 7 0 "[ . 1]" 1
292 1 12 VAL H 1 13 GLN H 4.400 . 6.000 4.404 4.336 4.469 . 0 0 "[ . 1]" 1
293 1 12 VAL H 1 18 LEU MD2 3.200 . 4.500 3.358 3.070 3.733 . 0 0 "[ . 1]" 1
294 1 12 VAL H 1 114 THR H 3.600 . 5.200 3.720 3.550 3.814 . 0 0 "[ . 1]" 1
295 1 12 VAL H 1 114 THR MG 4.300 . 6.000 4.385 4.057 4.622 . 0 0 "[ . 1]" 1
296 1 12 VAL H 1 115 VAL H 4.500 . 6.000 4.508 4.295 4.670 . 0 0 "[ . 1]" 1
297 1 12 VAL H 1 114 THR HB 4.100 . 6.000 4.524 4.319 4.722 . 0 0 "[ . 1]" 1
298 1 12 VAL H 1 114 THR H 3.400 . 4.800 3.988 3.724 4.138 . 0 0 "[ . 1]" 1
299 1 12 VAL H 1 114 THR HB 3.800 . 5.600 4.650 4.389 4.983 . 0 0 "[ . 1]" 1
300 1 12 VAL H 1 114 THR MG 4.400 . 6.000 5.034 4.237 5.748 . 0 0 "[ . 1]" 1
301 1 12 VAL H 1 115 VAL HA 3.100 . 4.300 2.607 2.066 3.077 . 0 0 "[ . 1]" 1
302 1 12 VAL H 1 115 VAL QG 3.900 . 5.800 3.445 3.115 3.977 . 0 0 "[ . 1]" 1
303 1 12 VAL H 1 116 SER H 3.400 . 4.900 3.482 2.392 4.105 . 0 0 "[ . 1]" 1
304 1 12 VAL HA 1 13 GLN H 2.000 . 2.500 2.593 2.360 2.652 0.152 3 0 "[ . 1]" 1
305 1 12 VAL HA 1 13 GLN HB3 5.200 . 6.000 5.286 4.089 5.797 . 0 0 "[ . 1]" 1
306 1 12 VAL HA 1 13 GLN QG 5.700 . 6.000 3.809 2.941 5.811 . 0 0 "[ . 1]" 1
307 1 12 VAL HA 1 13 GLN QG 3.700 . 5.400 2.895 2.166 3.703 . 0 0 "[ . 1]" 1
308 1 12 VAL HA 1 115 VAL QG 3.000 . 4.200 2.772 2.486 3.072 . 0 0 "[ . 1]" 1
309 1 12 VAL HB 1 13 GLN H 3.500 . 5.000 2.229 1.946 3.599 0.054 4 0 "[ . 1]" 1
310 1 12 VAL HB 1 16 GLY H 3.800 . 5.600 3.989 3.784 4.751 . 0 0 "[ . 1]" 1
311 1 12 VAL HB 1 16 GLY H 4.900 . 6.000 3.997 3.782 4.773 . 0 0 "[ . 1]" 1
312 1 12 VAL HB 1 16 GLY HA2 5.800 . 6.000 4.874 4.434 6.130 0.130 10 0 "[ . 1]" 1
313 1 12 VAL HB 1 16 GLY HA3 4.100 . 6.000 3.140 2.701 4.470 . 0 0 "[ . 1]" 1
314 1 12 VAL HB 1 17 SER H 4.600 . 6.000 3.202 2.698 4.179 . 0 0 "[ . 1]" 1
315 1 12 VAL HB 1 18 LEU QB 4.200 . 6.000 3.631 2.841 4.202 . 0 0 "[ . 1]" 1
316 1 12 VAL HB 1 18 LEU MD2 3.300 . 4.700 3.382 1.991 3.856 . 0 0 "[ . 1]" 1
317 1 12 VAL HB 1 86 LEU QD 3.000 . 4.100 3.163 2.976 3.387 . 0 0 "[ . 1]" 1
318 1 12 VAL HB 1 115 VAL HA 4.200 . 6.000 5.023 4.374 5.340 . 0 0 "[ . 1]" 1
319 1 12 VAL QG 1 13 GLN H 2.600 . 3.500 2.552 1.742 2.904 . 0 0 "[ . 1]" 1
320 1 12 VAL QG 1 13 GLN HB2 5.100 . 6.000 4.509 3.812 5.105 . 0 0 "[ . 1]" 1
321 1 12 VAL QG 1 13 GLN HB3 4.700 . 6.000 4.812 4.360 5.024 . 0 0 "[ . 1]" 1
322 1 12 VAL QG 1 13 GLN HE21 3.500 . 5.000 4.651 3.421 5.631 0.631 7 1 "[ . + 1]" 1
323 1 12 VAL QG 1 13 GLN HE22 3.700 . 5.400 5.209 4.271 5.949 0.549 10 2 "[ . -+]" 1
324 1 12 VAL QG 1 13 GLN QG 3.800 . 5.600 4.109 2.839 4.947 . 0 0 "[ . 1]" 1
325 1 12 VAL QG 1 13 GLN QG 4.400 . 6.000 3.836 2.819 4.353 . 0 0 "[ . 1]" 1
326 1 12 VAL QG 1 14 PRO HB3 4.300 . 6.000 5.395 4.884 5.582 . 0 0 "[ . 1]" 1
327 1 12 VAL QG 1 14 PRO QD 4.200 . 6.000 4.090 3.390 4.390 . 0 0 "[ . 1]" 1
328 1 12 VAL QG 1 14 PRO QD 5.000 . 6.000 3.952 3.337 4.219 . 0 0 "[ . 1]" 1
329 1 12 VAL QG 1 14 PRO HG3 4.700 . 6.000 5.068 4.608 5.405 . 0 0 "[ . 1]" 1
330 1 12 VAL QG 1 15 GLY H 4.800 . 6.000 3.855 3.423 4.255 . 0 0 "[ . 1]" 1
331 1 12 VAL QG 1 15 GLY H 4.800 . 6.000 2.576 2.215 3.413 . 0 0 "[ . 1]" 1
332 1 12 VAL QG 1 16 GLY H 3.200 . 4.500 3.309 2.910 3.699 . 0 0 "[ . 1]" 1
333 1 12 VAL QG 1 16 GLY H 3.100 . 4.300 2.256 1.890 2.737 0.010 1 0 "[ . 1]" 1
334 1 12 VAL QG 1 16 GLY H 3.700 . 5.400 3.204 2.896 3.522 . 0 0 "[ . 1]" 1
335 1 12 VAL QG 1 16 GLY HA2 4.300 . 6.000 4.458 3.149 4.659 . 0 0 "[ . 1]" 1
336 1 12 VAL QG 1 16 GLY HA2 3.700 . 5.400 3.812 2.820 4.090 . 0 0 "[ . 1]" 1
337 1 12 VAL QG 1 16 GLY HA3 2.800 . 3.800 3.224 1.840 3.489 0.060 10 0 "[ . 1]" 1
338 1 12 VAL QG 1 17 SER H 3.000 . 4.100 2.821 1.882 3.336 0.118 10 0 "[ . 1]" 1
339 1 12 VAL QG 1 17 SER H 3.900 . 5.800 2.708 1.880 3.240 0.120 10 0 "[ . 1]" 1
340 1 12 VAL QG 1 17 SER HA 4.800 . 6.000 3.752 3.391 3.998 . 0 0 "[ . 1]" 1
341 1 12 VAL QG 1 17 SER HA 3.300 . 4.700 2.508 1.967 2.855 . 0 0 "[ . 1]" 1
342 1 12 VAL QG 1 17 SER HB2 4.000 . 6.000 4.841 4.594 5.022 . 0 0 "[ . 1]" 1
343 1 12 VAL QG 1 18 LEU H 3.400 . 4.900 3.745 3.437 3.992 . 0 0 "[ . 1]" 1
344 1 12 VAL QG 1 85 SER H 4.000 . 6.000 4.347 4.156 4.435 . 0 0 "[ . 1]" 1
345 1 12 VAL QG 1 115 VAL HA 3.700 . 5.400 2.596 1.930 3.016 0.070 8 0 "[ . 1]" 1
346 1 12 VAL QG 1 86 LEU QD 2.100 . 2.700 1.898 1.424 2.306 0.076 6 0 "[ . 1]" 1
347 1 12 VAL QG 1 115 VAL QG 2.500 . 3.300 1.889 1.688 2.076 0.012 2 0 "[ . 1]" 1
348 1 12 VAL QG 1 115 VAL HA 3.300 . 4.600 2.605 1.932 3.044 0.068 8 0 "[ . 1]" 1
349 1 13 GLN H 1 14 PRO QD 3.800 . 5.600 4.386 4.220 4.433 . 0 0 "[ . 1]" 1
350 1 13 GLN H 1 16 GLY H 3.300 . 4.600 3.401 3.199 3.759 . 0 0 "[ . 1]" 1
351 1 13 GLN H 1 16 GLY H 3.200 . 4.500 3.585 3.368 3.687 . 0 0 "[ . 1]" 1
352 1 13 GLN H 1 16 GLY HA3 4.000 . 6.000 3.131 2.988 3.313 . 0 0 "[ . 1]" 1
353 1 13 GLN H 1 115 VAL QG 4.100 . 6.000 3.628 3.424 3.905 . 0 0 "[ . 1]" 1
354 1 13 GLN HB2 1 14 PRO QD 2.800 . 3.800 3.200 2.180 3.759 . 0 0 "[ . 1]" 1
355 1 13 GLN HB2 1 16 GLY H 4.800 . 6.000 4.438 3.581 5.719 . 0 0 "[ . 1]" 1
356 1 13 GLN HB2 1 116 SER H 3.900 . 5.800 5.277 4.366 5.810 0.010 8 0 "[ . 1]" 1
357 1 13 GLN HB3 1 14 PRO QD 3.300 . 4.700 2.681 2.031 3.907 . 0 0 "[ . 1]" 1
358 1 13 GLN HB3 1 116 SER H 3.600 . 5.200 4.011 3.666 4.214 . 0 0 "[ . 1]" 1
359 1 13 GLN QG 1 16 GLY HA3 4.000 . 6.000 4.450 3.885 5.014 . 0 0 "[ . 1]" 1
360 1 13 GLN QG 1 14 PRO HA 3.600 . 5.200 4.161 2.695 5.000 . 0 0 "[ . 1]" 1
361 1 13 GLN QG 1 14 PRO QD 3.200 . 4.500 3.440 2.045 4.212 . 0 0 "[ . 1]" 1
362 1 13 GLN QG 1 16 GLY H 3.800 . 5.600 5.132 3.087 6.005 0.405 1 0 "[ . 1]" 1
363 1 13 GLN QG 1 16 GLY H 3.800 . 5.600 4.070 3.073 4.641 . 0 0 "[ . 1]" 1
364 1 13 GLN QG 1 16 GLY HA2 4.800 . 6.000 5.772 4.454 6.795 0.795 1 1 "[+ . 1]" 1
365 1 13 GLN QG 1 115 VAL QG 4.500 . 6.000 4.438 4.004 4.938 . 0 0 "[ . 1]" 1
366 1 13 GLN QG 1 116 SER H 4.500 . 6.000 4.696 3.743 5.941 . 0 0 "[ . 1]" 1
367 1 13 GLN QG 1 117 SER HA 3.100 . 4.300 3.327 2.185 4.872 0.572 8 1 "[ . + 1]" 1
368 1 13 GLN QG 1 118 GLN HE21 4.000 . 6.000 4.028 2.976 4.699 . 0 0 "[ . 1]" 1
369 1 14 PRO HA 1 15 GLY H 2.300 . 3.000 2.357 2.191 2.997 . 0 0 "[ . 1]" 1
370 1 14 PRO HA 1 16 GLY H 3.300 . 4.700 3.863 3.604 4.174 . 0 0 "[ . 1]" 1
371 1 14 PRO HA 1 86 LEU HB2 3.700 . 5.400 2.666 2.078 3.389 . 0 0 "[ . 1]" 1
372 1 14 PRO HA 1 86 LEU HB3 3.800 . 5.600 3.532 3.094 4.031 . 0 0 "[ . 1]" 1
373 1 14 PRO HA 1 115 VAL QG . . 3.300 2.618 1.970 3.297 0.030 8 0 "[ . 1]" 1
374 1 14 PRO HB2 1 15 GLY H 4.400 . 6.000 4.311 4.097 4.369 . 0 0 "[ . 1]" 1
375 1 14 PRO HB2 1 15 GLY H 3.700 . 5.400 4.239 4.068 4.320 . 0 0 "[ . 1]" 1
376 1 14 PRO HB2 1 86 LEU HB2 4.100 . 6.000 4.009 3.312 4.697 . 0 0 "[ . 1]" 1
377 1 14 PRO HB3 1 15 GLY H 3.700 . 5.400 4.127 3.918 4.363 . 0 0 "[ . 1]" 1
378 1 14 PRO HB3 1 115 VAL QG 3.300 . 4.700 3.321 2.815 3.590 . 0 0 "[ . 1]" 1
379 1 14 PRO HB3 1 15 GLY H 3.800 . 5.600 4.238 3.983 4.666 . 0 0 "[ . 1]" 1
380 1 14 PRO HB3 1 115 VAL QG 4.200 . 6.000 3.680 2.905 4.278 . 0 0 "[ . 1]" 1
381 1 14 PRO QD 1 16 GLY H 4.000 . 6.000 3.644 2.668 4.308 . 0 0 "[ . 1]" 1
382 1 14 PRO QD 1 118 GLN H 3.400 . 4.900 4.679 3.551 5.569 0.669 7 2 "[ . + -]" 1
383 1 14 PRO QD 1 115 VAL HA 4.400 . 6.000 4.021 3.794 4.451 . 0 0 "[ . 1]" 1
384 1 14 PRO QD 1 115 VAL QG 3.100 . 4.300 2.315 1.971 2.704 . 0 0 "[ . 1]" 1
385 1 14 PRO QD 1 117 SER HA 3.200 . 4.500 3.367 2.448 5.469 0.969 2 1 "[ + . 1]" 1
386 1 14 PRO QD 1 117 SER HB3 4.300 . 6.000 3.539 2.340 4.850 . 0 0 "[ . 1]" 1
387 1 14 PRO HG2 1 113 VAL MG2 3.600 . 5.200 3.995 3.538 4.310 . 0 0 "[ . 1]" 1
388 1 14 PRO HG2 1 91 THR MG 4.000 . 6.000 4.145 3.430 4.562 . 0 0 "[ . 1]" 1
389 1 14 PRO HG2 1 87 LYS HA 3.700 . 5.400 4.908 3.819 6.038 0.638 8 1 "[ . + 1]" 1
390 1 14 PRO HG2 1 88 SER HA 4.600 . 6.000 4.729 4.324 5.013 . 0 0 "[ . 1]" 1
391 1 14 PRO HG2 1 88 SER QB 3.700 . 5.400 3.596 3.148 4.009 . 0 0 "[ . 1]" 1
392 1 14 PRO HG2 1 115 VAL QG 4.000 . 6.000 3.836 3.688 3.989 . 0 0 "[ . 1]" 1
393 1 14 PRO HG2 1 117 SER HB3 4.200 . 6.000 4.503 2.267 5.812 . 0 0 "[ . 1]" 1
394 1 14 PRO HG3 1 15 GLY H 5.100 . 6.000 5.127 5.061 5.195 . 0 0 "[ . 1]" 1
395 1 14 PRO HG3 1 115 VAL QG 4.700 . 6.000 2.530 2.356 2.743 . 0 0 "[ . 1]" 1
396 1 14 PRO HG3 1 115 VAL QG 2.700 . 3.600 2.532 2.358 2.746 . 0 0 "[ . 1]" 1
397 1 15 GLY H 1 16 GLY H 2.800 . 3.800 1.966 1.921 2.078 . 0 0 "[ . 1]" 1
398 1 15 GLY H 1 16 GLY HA3 4.000 . 6.000 4.148 3.825 4.264 . 0 0 "[ . 1]" 1
399 1 15 GLY H 1 85 SER HA 5.000 . 6.000 4.794 4.130 6.018 0.018 6 0 "[ . 1]" 1
400 1 15 GLY H 1 86 LEU H 3.600 . 5.200 3.670 2.650 5.397 0.197 8 0 "[ . 1]" 1
401 1 15 GLY H 1 86 LEU HB2 3.100 . 4.300 2.369 1.797 3.700 0.103 3 0 "[ . 1]" 1
402 1 15 GLY H 1 86 LEU HB3 3.900 . 5.800 3.748 3.285 4.852 . 0 0 "[ . 1]" 1
403 1 15 GLY H 1 86 LEU QD 5.700 . 6.000 2.701 2.226 4.027 . 0 0 "[ . 1]" 1
404 1 15 GLY H 1 115 VAL QG 4.200 . 5.200 3.759 3.082 4.333 . 0 0 "[ . 1]" 1
405 1 15 GLY HA2 1 16 GLY H 3.300 . 4.700 3.169 2.937 3.448 . 0 0 "[ . 1]" 1
406 1 15 GLY HA2 1 86 LEU QD 3.400 . 4.800 3.233 2.831 3.611 . 0 0 "[ . 1]" 1
407 1 15 GLY HA2 1 85 SER HA 3.300 . 4.700 3.324 2.649 4.065 . 0 0 "[ . 1]" 1
408 1 15 GLY HA3 1 16 GLY H 3.700 . 5.400 3.333 3.040 3.500 . 0 0 "[ . 1]" 1
409 1 15 GLY HA3 1 85 SER H 3.500 . 5.000 2.997 2.570 3.501 . 0 0 "[ . 1]" 1
410 1 16 GLY H 1 17 SER H 4.300 . 6.000 4.018 3.912 4.193 . 0 0 "[ . 1]" 1
411 1 16 GLY H 1 17 SER HA 3.700 . 5.400 5.015 4.775 5.208 . 0 0 "[ . 1]" 1
412 1 16 GLY H 1 86 LEU H 2.400 . 3.100 2.637 2.476 2.971 . 0 0 "[ . 1]" 1
413 1 16 GLY H 1 86 LEU HB2 4.500 . 6.000 2.828 2.672 3.155 . 0 0 "[ . 1]" 1
414 1 16 GLY H 1 86 LEU QD 3.400 . 4.900 2.144 1.869 2.614 0.031 1 0 "[ . 1]" 1
415 1 16 GLY H 1 86 LEU HB2 3.000 . 4.200 3.258 2.950 4.108 . 0 0 "[ . 1]" 1
416 1 16 GLY H 1 86 LEU HB3 4.000 . 6.000 4.205 3.647 5.080 . 0 0 "[ . 1]" 1
417 1 16 GLY H 1 86 LEU HB3 3.800 . 5.600 4.664 4.159 5.454 . 0 0 "[ . 1]" 1
418 1 16 GLY H 1 86 LEU QD 3.400 . 4.800 2.324 1.895 3.019 0.105 1 0 "[ . 1]" 1
419 1 16 GLY H 1 86 LEU HG 4.600 . 6.000 4.382 3.726 5.120 . 0 0 "[ . 1]" 1
420 1 16 GLY HA2 1 17 SER H 2.200 . 2.800 3.076 2.931 3.143 0.343 5 0 "[ . 1]" 1
421 1 16 GLY HA2 1 17 SER HA 4.000 . 6.000 4.058 4.036 4.095 . 0 0 "[ . 1]" 1
422 1 16 GLY HA2 1 17 SER HB2 5.100 . 6.000 4.293 3.793 4.670 . 0 0 "[ . 1]" 1
423 1 16 GLY HA2 1 17 SER HB3 4.500 . 6.000 4.143 3.802 4.599 . 0 0 "[ . 1]" 1
424 1 16 GLY HA2 1 86 LEU QD 4.500 . 6.000 3.925 3.623 4.396 . 0 0 "[ . 1]" 1
425 1 16 GLY HA3 1 17 SER H 2.700 . 3.600 2.178 2.144 2.228 . 0 0 "[ . 1]" 1
426 1 16 GLY HA3 1 18 LEU HB3 4.800 . 6.000 4.820 4.456 4.991 . 0 0 "[ . 1]" 1
427 1 16 GLY HA3 1 86 LEU QD 3.000 . 4.100 2.818 2.621 3.132 . 0 0 "[ . 1]" 1
428 1 16 GLY HA3 1 86 LEU HG 3.900 . 5.800 4.479 4.140 4.858 . 0 0 "[ . 1]" 1
429 1 16 GLY HA3 1 86 LEU QD 5.000 . 6.000 3.179 2.803 3.795 . 0 0 "[ . 1]" 1
430 1 17 SER H 1 18 LEU H 3.900 . 5.800 4.102 3.799 4.352 . 0 0 "[ . 1]" 1
431 1 17 SER H 1 18 LEU QB 3.900 . 5.800 4.103 3.935 4.393 . 0 0 "[ . 1]" 1
432 1 17 SER H 1 19 ARG H 3.500 . 5.000 5.891 5.653 6.455 1.455 5 10 [****+-****] 1
433 1 17 SER H 1 86 LEU QD 3.800 . 5.600 2.955 2.801 3.099 . 0 0 "[ . 1]" 1
434 1 17 SER H 1 84 ASN HA 4.800 . 6.000 5.290 4.894 5.871 . 0 0 "[ . 1]" 1
435 1 17 SER H 1 86 LEU QD 3.900 . 5.800 3.216 2.978 3.400 . 0 0 "[ . 1]" 1
436 1 17 SER HA 1 18 LEU H 2.300 . 3.000 2.200 2.142 2.356 . 0 0 "[ . 1]" 1
437 1 17 SER HA 1 18 LEU QB 3.800 . 5.600 3.680 3.455 3.923 . 0 0 "[ . 1]" 1
438 1 17 SER HA 1 85 SER H 3.700 . 5.400 4.479 3.205 4.853 . 0 0 "[ . 1]" 1
439 1 17 SER HA 1 68 PHE QR 6.000 . 6.000 5.963 5.539 6.496 0.496 9 0 "[ . 1]" 1
440 1 17 SER HA 1 83 MET H 5.100 . 6.000 4.847 4.351 5.478 . 0 0 "[ . 1]" 1
441 1 17 SER HA 1 83 MET HB2 4.900 . 6.000 4.347 3.849 5.046 . 0 0 "[ . 1]" 1
442 1 17 SER HA 1 84 ASN HA 2.900 . 3.900 2.889 2.562 3.174 . 0 0 "[ . 1]" 1
443 1 17 SER HA 1 84 ASN HB3 6.000 . 6.000 4.755 3.884 5.525 . 0 0 "[ . 1]" 1
444 1 17 SER HA 1 86 LEU H 3.500 . 5.100 5.365 4.581 6.034 0.934 5 4 "[- + **1]" 1
445 1 17 SER HA 1 86 LEU QD 3.100 . 4.300 2.555 1.979 2.932 . 0 0 "[ . 1]" 1
446 1 17 SER QB 1 18 LEU H 2.900 . 4.000 3.231 2.648 3.744 . 0 0 "[ . 1]" 1
447 1 17 SER QB 1 82 GLN QE 3.000 . 4.100 3.160 2.584 3.833 . 0 0 "[ . 1]" 1
448 1 17 SER QB 1 84 ASN HA 2.800 . 3.800 3.459 2.420 3.989 0.189 6 0 "[ . 1]" 1
449 1 17 SER HB2 1 18 LEU H 4.400 . 6.000 3.529 2.794 4.226 . 0 0 "[ . 1]" 1
450 1 17 SER HB2 1 18 LEU QB 5.200 . 6.000 4.998 4.560 5.358 . 0 0 "[ . 1]" 1
451 1 17 SER HB2 1 18 LEU MD1 3.400 . 4.900 3.980 3.674 4.230 . 0 0 "[ . 1]" 1
452 1 17 SER HB2 1 83 MET H 3.300 . 4.600 2.639 2.397 3.212 . 0 0 "[ . 1]" 1
453 1 17 SER HB2 1 82 GLN QE 4.000 . 6.000 3.444 2.636 5.201 . 0 0 "[ . 1]" 1
454 1 17 SER HB2 1 84 ASN HA 3.200 . 4.500 4.302 3.058 5.244 0.744 2 1 "[ + . 1]" 1
455 1 17 SER HB2 1 84 ASN HB2 3.900 . 5.800 3.505 2.999 4.583 . 0 0 "[ . 1]" 1
456 1 17 SER HB3 1 18 LEU H 3.600 . 5.300 3.991 3.259 4.588 . 0 0 "[ . 1]" 1
457 1 17 SER HB3 1 18 LEU QB 5.500 . 6.000 5.220 4.704 5.589 . 0 0 "[ . 1]" 1
458 1 17 SER HB3 1 82 GLN QE 3.500 . 5.000 4.295 3.713 5.017 0.017 1 0 "[ . 1]" 1
459 1 17 SER HB3 1 84 ASN HA 4.200 . 6.000 4.212 2.453 5.667 . 0 0 "[ . 1]" 1
460 1 17 SER HB3 1 86 LEU QD 5.500 . 6.000 4.293 3.828 4.727 . 0 0 "[ . 1]" 1
461 1 18 LEU H 1 19 ARG H 4.900 . 6.000 4.376 4.115 4.504 . 0 0 "[ . 1]" 1
462 1 18 LEU H 1 19 ARG H 4.500 . 6.000 4.309 4.092 4.427 . 0 0 "[ . 1]" 1
463 1 18 LEU H 1 19 ARG HA 3.800 . 5.600 3.843 3.659 3.987 . 0 0 "[ . 1]" 1
464 1 18 LEU H 1 82 GLN QE 3.800 . 4.800 3.690 3.030 4.464 . 0 0 "[ . 1]" 1
465 1 18 LEU H 1 83 MET H 3.100 . 4.300 3.095 2.727 3.533 . 0 0 "[ . 1]" 1
466 1 18 LEU H 1 83 MET HB2 3.000 . 4.100 2.836 2.375 3.205 . 0 0 "[ . 1]" 1
467 1 18 LEU H 1 83 MET HB3 4.100 . 6.000 4.135 3.707 4.832 . 0 0 "[ . 1]" 1
468 1 18 LEU H 1 83 MET HB3 3.500 . 5.000 3.104 2.751 3.362 . 0 0 "[ . 1]" 1
469 1 18 LEU H 1 83 MET ME 4.800 . 6.000 5.839 5.603 6.012 0.012 10 0 "[ . 1]" 1
470 1 18 LEU H 1 83 MET HG3 4.900 . 6.000 4.622 3.498 5.582 . 0 0 "[ . 1]" 1
471 1 18 LEU H 1 86 LEU QD 3.100 . 4.300 3.250 2.771 3.632 . 0 0 "[ . 1]" 1
472 1 18 LEU HA 1 19 ARG H 2.300 . 2.900 2.227 2.142 2.346 . 0 0 "[ . 1]" 1
473 1 18 LEU HA 1 20 VAL H 3.100 . 4.300 3.796 3.588 3.966 . 0 0 "[ . 1]" 1
474 1 18 LEU HA 1 20 VAL MG1 4.600 . 6.000 4.490 4.149 6.383 0.383 7 0 "[ . 1]" 1
475 1 18 LEU HA 1 83 MET ME 4.000 . 6.000 4.423 4.301 4.630 . 0 0 "[ . 1]" 1
476 1 18 LEU HB2 1 83 MET HB3 2.700 . 3.600 2.845 2.180 3.171 . 0 0 "[ . 1]" 1
477 1 18 LEU QB 1 20 VAL HB 3.400 . 4.900 4.025 3.415 4.232 . 0 0 "[ . 1]" 1
478 1 18 LEU QB 1 20 VAL MG1 3.500 . 5.000 2.737 2.313 3.990 . 0 0 "[ . 1]" 1
479 1 18 LEU QB 1 20 VAL MG2 3.600 . 5.200 3.505 3.068 3.926 . 0 0 "[ . 1]" 1
480 1 18 LEU QB 1 82 GLN QE 3.700 . 5.400 3.196 2.748 3.639 . 0 0 "[ . 1]" 1
481 1 18 LEU QB 1 82 GLN QE 5.500 . 6.000 3.401 2.774 3.887 . 0 0 "[ . 1]" 1
482 1 18 LEU QB 1 113 VAL MG2 3.300 . 4.600 3.800 3.591 4.194 . 0 0 "[ . 1]" 1
483 1 18 LEU QB 1 113 VAL MG1 3.000 . 4.100 3.231 2.932 3.449 . 0 0 "[ . 1]" 1
484 1 18 LEU QB 1 19 ARG H 3.500 . 5.100 3.399 2.870 3.713 . 0 0 "[ . 1]" 1
485 1 18 LEU QB 1 19 ARG HB3 3.800 . 5.600 2.281 1.892 2.658 0.108 9 0 "[ . 1]" 1
486 1 18 LEU QB 1 20 VAL MG1 4.100 . 6.000 3.506 2.849 6.057 0.057 7 0 "[ . 1]" 1
487 1 18 LEU QB 1 83 MET H 4.600 . 6.000 3.491 3.006 3.995 . 0 0 "[ . 1]" 1
488 1 18 LEU QD 1 20 VAL HB 3.800 . 5.600 3.749 2.282 4.167 . 0 0 "[ . 1]" 1
489 1 18 LEU MD1 1 19 ARG H 2.900 . 4.000 3.671 2.174 4.581 0.581 1 3 "[+ - . * 1]" 1
490 1 18 LEU MD1 1 19 ARG HA 5.100 . 6.000 4.294 3.905 4.719 . 0 0 "[ . 1]" 1
491 1 18 LEU MD1 1 20 VAL MG1 3.100 . 4.300 3.366 2.847 4.963 0.663 7 1 "[ . + 1]" 1
492 1 18 LEU MD1 1 20 VAL MG1 2.800 . 3.800 2.236 1.911 2.677 . 0 0 "[ . 1]" 1
493 1 18 LEU MD1 1 20 VAL MG2 2.700 . 3.600 2.254 1.798 3.063 0.002 9 0 "[ . 1]" 1
494 1 18 LEU MD1 1 20 VAL MG2 4.100 . 6.000 4.432 3.124 5.291 . 0 0 "[ . 1]" 1
495 1 18 LEU MD1 1 82 GLN HG2 4.200 . 6.000 4.111 3.247 4.890 . 0 0 "[ . 1]" 1
496 1 18 LEU MD1 1 83 MET ME 2.600 . 3.500 2.566 2.054 3.186 . 0 0 "[ . 1]" 1
497 1 18 LEU MD1 1 114 THR H 4.700 . 6.000 4.160 3.378 5.395 . 0 0 "[ . 1]" 1
498 1 18 LEU MD2 1 19 ARG H 3.300 . 4.600 2.830 1.869 4.512 0.131 2 0 "[ . 1]" 1
499 1 18 LEU MD2 1 19 ARG QB 4.100 . 6.000 4.427 3.656 5.710 . 0 0 "[ . 1]" 1
500 1 18 LEU MD2 1 20 VAL H 3.000 . 4.100 3.610 3.142 3.892 . 0 0 "[ . 1]" 1
501 1 18 LEU MD2 1 20 VAL MG1 3.600 . 5.200 2.495 1.934 3.622 0.066 1 0 "[ . 1]" 1
502 1 18 LEU MD2 1 20 VAL MG2 4.500 . 6.000 4.017 2.760 4.518 . 0 0 "[ . 1]" 1
503 1 18 LEU MD2 1 94 TYR H 4.100 . 6.000 5.110 4.241 5.459 . 0 0 "[ . 1]" 1
504 1 19 ARG H 1 82 GLN H 3.400 . 4.800 4.435 4.256 4.525 . 0 0 "[ . 1]" 1
505 1 19 ARG H 1 82 GLN HA 4.000 . 6.000 3.740 3.541 3.944 . 0 0 "[ . 1]" 1
506 1 19 ARG H 1 83 MET ME 3.800 . 5.600 4.005 3.403 4.439 . 0 0 "[ . 1]" 1
507 1 19 ARG H 1 20 VAL MG1 6.000 . 6.000 4.112 3.479 6.064 0.064 7 0 "[ . 1]" 1
508 1 19 ARG H 1 20 VAL MG2 6.000 . 6.000 5.510 5.186 5.834 . 0 0 "[ . 1]" 1
509 1 19 ARG H 1 21 SER H 4.600 . 6.000 4.727 4.459 4.846 . 0 0 "[ . 1]" 1
510 1 19 ARG HA 1 82 GLN H 3.000 . 4.100 3.333 3.103 3.557 . 0 0 "[ . 1]" 1
511 1 19 ARG HA 1 20 VAL HA 4.300 . 6.000 4.395 4.380 4.404 . 0 0 "[ . 1]" 1
512 1 19 ARG HA 1 20 VAL MG1 5.200 . 6.000 3.764 3.435 4.733 . 0 0 "[ . 1]" 1
513 1 19 ARG HA 1 20 VAL MG2 4.400 . 6.000 4.183 3.839 5.211 . 0 0 "[ . 1]" 1
514 1 19 ARG HA 1 20 VAL MG2 4.100 . 6.000 4.051 3.709 5.075 . 0 0 "[ . 1]" 1
515 1 19 ARG HA 1 21 SER H 3.400 . 4.900 3.362 3.118 3.607 . 0 0 "[ . 1]" 1
516 1 19 ARG HA 1 81 LEU QD 4.000 . 6.000 3.495 3.272 3.911 . 0 0 "[ . 1]" 1
517 1 19 ARG HA 1 82 GLN HA 2.800 . 3.800 2.721 2.420 3.141 . 0 0 "[ . 1]" 1
518 1 19 ARG HA 1 82 GLN HB2 5.200 . 6.000 4.784 4.251 5.312 . 0 0 "[ . 1]" 1
519 1 19 ARG HA 1 82 GLN HB3 6.000 . 6.000 5.130 4.533 5.618 . 0 0 "[ . 1]" 1
520 1 19 ARG HA 1 82 GLN QE 3.400 . 4.800 3.271 2.872 3.754 . 0 0 "[ . 1]" 1
521 1 19 ARG HA 1 83 MET HA 4.400 . 6.000 4.318 4.287 4.340 . 0 0 "[ . 1]" 1
522 1 19 ARG HA 1 83 MET ME 4.400 . 6.000 5.238 4.649 5.691 . 0 0 "[ . 1]" 1
523 1 19 ARG HA 1 86 LEU QD 3.400 . 4.900 2.528 2.057 3.282 . 0 0 "[ . 1]" 1
524 1 19 ARG QB 1 82 GLN HA 3.600 . 5.200 3.935 3.265 4.432 . 0 0 "[ . 1]" 1
525 1 19 ARG HB2 1 20 VAL H 3.700 . 5.400 4.413 4.207 4.521 . 0 0 "[ . 1]" 1
526 1 19 ARG HB2 1 82 GLN HA 4.100 . 6.000 4.052 3.321 4.583 . 0 0 "[ . 1]" 1
527 1 19 ARG HB3 1 20 VAL H 4.000 . 6.000 4.377 4.329 4.414 . 0 0 "[ . 1]" 1
528 1 19 ARG HB3 1 20 VAL MG2 4.000 . 6.000 4.635 4.400 5.074 . 0 0 "[ . 1]" 1
529 1 19 ARG HB3 1 21 SER HA 5.000 . 6.000 4.442 4.278 4.700 . 0 0 "[ . 1]" 1
530 1 19 ARG HB3 1 69 THR MG 4.400 . 6.000 5.773 5.535 5.935 . 0 0 "[ . 1]" 1
531 1 19 ARG HB3 1 80 TYR HA 4.100 . 6.000 4.887 4.183 5.824 . 0 0 "[ . 1]" 1
532 1 19 ARG QD 1 20 VAL H 3.200 . 4.500 4.830 4.193 5.095 0.595 1 5 "[+ * -* *1]" 1
533 1 19 ARG QD 1 82 GLN H 3.500 . 5.000 4.065 3.790 4.464 . 0 0 "[ . 1]" 1
534 1 19 ARG QD 1 82 GLN HA 4.600 . 6.000 5.421 4.572 5.810 . 0 0 "[ . 1]" 1
535 1 19 ARG QD 1 82 GLN QE 4.600 . 6.000 3.772 2.696 4.357 . 0 0 "[ . 1]" 1
536 1 19 ARG QG 1 21 SER HA 4.500 . 6.000 5.053 4.591 5.467 . 0 0 "[ . 1]" 1
537 1 19 ARG QG 1 80 TYR HB3 3.200 . 4.500 3.356 2.764 3.780 . 0 0 "[ . 1]" 1
538 1 19 ARG QG 1 81 LEU H 3.400 . 4.800 3.721 3.211 3.974 . 0 0 "[ . 1]" 1
539 1 19 ARG QG 1 81 LEU HG 3.500 . 5.100 4.385 3.359 5.851 0.751 4 1 "[ +. 1]" 1
540 1 19 ARG QG 1 82 GLN HA 2.800 . 3.800 3.874 3.489 4.523 0.723 4 1 "[ +. 1]" 1
541 1 19 ARG HG2 1 21 SER H 5.400 . 6.000 4.919 4.532 5.538 . 0 0 "[ . 1]" 1
542 1 19 ARG HG2 1 36 TRP HH2 4.200 . 6.000 4.175 3.345 4.700 . 0 0 "[ . 1]" 1
543 1 19 ARG HG2 1 82 GLN QB 2.700 . 3.600 2.629 2.035 3.149 . 0 0 "[ . 1]" 1
544 1 19 ARG HG2 1 80 TYR HA 4.300 . 6.000 5.123 4.647 6.096 0.096 4 0 "[ . 1]" 1
545 1 20 VAL H 1 21 SER H 4.200 . 6.000 4.534 4.474 4.555 . 0 0 "[ . 1]" 1
546 1 20 VAL H 1 21 SER H 3.300 . 4.600 3.775 3.571 3.877 . 0 0 "[ . 1]" 1
547 1 20 VAL H 1 21 SER HA 4.600 . 6.000 4.387 4.248 4.527 . 0 0 "[ . 1]" 1
548 1 20 VAL H 1 80 TYR HA 5.100 . 6.000 4.804 4.571 5.039 . 0 0 "[ . 1]" 1
549 1 20 VAL H 1 81 LEU H 3.200 . 4.500 3.151 2.924 3.403 . 0 0 "[ . 1]" 1
550 1 20 VAL H 1 81 LEU HB3 6.000 . 6.000 3.789 3.537 4.105 . 0 0 "[ . 1]" 1
551 1 20 VAL H 1 81 LEU QD 4.400 . 6.000 4.316 3.658 4.734 . 0 0 "[ . 1]" 1
552 1 20 VAL H 1 82 GLN QB 3.900 . 5.800 5.352 4.999 5.551 . 0 0 "[ . 1]" 1
553 1 20 VAL HA 1 21 SER HA 4.900 . 6.000 4.392 4.353 4.412 . 0 0 "[ . 1]" 1
554 1 20 VAL HA 1 113 VAL MG2 4.400 . 6.000 4.385 4.215 4.562 . 0 0 "[ . 1]" 1
555 1 20 VAL HB 1 21 SER H 2.600 . 3.500 2.808 2.487 3.783 0.283 7 0 "[ . 1]" 1
556 1 20 VAL HB 1 36 TRP HH2 3.800 . 5.600 3.439 2.758 4.501 . 0 0 "[ . 1]" 1
557 1 20 VAL HB 1 36 TRP HZ2 3.700 . 5.400 4.595 3.983 5.122 . 0 0 "[ . 1]" 1
558 1 20 VAL HB 1 81 LEU QD 3.100 . 4.300 2.468 2.112 3.020 . 0 0 "[ . 1]" 1
559 1 20 VAL HB 1 81 LEU HG 4.800 . 6.000 3.977 3.527 4.284 . 0 0 "[ . 1]" 1
560 1 20 VAL HB 1 83 MET ME 4.100 . 6.000 3.682 2.317 4.168 . 0 0 "[ . 1]" 1
561 1 20 VAL HB 1 83 MET ME 3.200 . 4.400 2.813 2.268 3.020 . 0 0 "[ . 1]" 1
562 1 20 VAL HB 1 111 THR HB 6.000 . 6.000 4.397 3.898 4.830 . 0 0 "[ . 1]" 1
563 1 20 VAL HB 1 111 THR MG 3.400 . 4.900 2.977 2.547 3.185 . 0 0 "[ . 1]" 1
564 1 20 VAL MG1 1 94 TYR HB2 3.400 . 4.800 3.504 3.029 3.746 . 0 0 "[ . 1]" 1
565 1 20 VAL MG1 1 21 SER H 3.100 . 4.300 3.749 2.201 4.093 . 0 0 "[ . 1]" 1
566 1 20 VAL MG1 1 21 SER H 2.900 . 3.900 2.629 2.156 2.889 . 0 0 "[ . 1]" 1
567 1 20 VAL MG1 1 21 SER HA 5.000 . 6.000 5.227 2.965 5.521 . 0 0 "[ . 1]" 1
568 1 20 VAL MG1 1 36 TRP HZ2 3.900 . 5.800 4.116 2.939 4.472 . 0 0 "[ . 1]" 1
569 1 20 VAL MG1 1 96 CYS H 4.600 . 6.000 4.552 4.235 4.926 . 0 0 "[ . 1]" 1
570 1 20 VAL MG1 1 96 CYS HB3 3.300 . 4.700 3.043 2.685 3.354 . 0 0 "[ . 1]" 1
571 1 20 VAL MG1 1 83 MET ME 2.600 . 3.500 2.052 1.859 2.650 . 0 0 "[ . 1]" 1
572 1 20 VAL MG1 1 83 MET ME 2.400 . 3.100 1.980 1.847 2.198 . 0 0 "[ . 1]" 1
573 1 20 VAL MG1 1 111 THR HB 5.400 . 6.000 4.161 3.643 4.342 . 0 0 "[ . 1]" 1
574 1 20 VAL MG1 1 111 THR MG 3.000 . 4.100 2.721 2.306 2.877 . 0 0 "[ . 1]" 1
575 1 20 VAL MG1 1 113 VAL H 3.400 . 4.900 3.415 3.294 3.528 . 0 0 "[ . 1]" 1
576 1 20 VAL MG1 1 113 VAL MG2 2.300 . 2.900 2.402 1.951 3.579 0.679 7 1 "[ . + 1]" 1
577 1 20 VAL MG1 1 94 TYR H 5.200 . 6.000 5.479 5.129 5.728 . 0 0 "[ . 1]" 1
578 1 20 VAL MG1 1 94 TYR QB 3.900 . 5.800 3.705 3.079 4.007 . 0 0 "[ . 1]" 1
579 1 20 VAL MG2 1 21 SER H 3.700 . 5.400 3.241 2.051 3.694 . 0 0 "[ . 1]" 1
580 1 20 VAL MG2 1 21 SER HA 5.200 . 6.000 3.636 3.256 4.468 . 0 0 "[ . 1]" 1
581 1 20 VAL MG2 1 22 CYS H 5.400 . 6.000 4.770 4.557 5.095 . 0 0 "[ . 1]" 1
582 1 20 VAL MG2 1 36 TRP HE1 4.700 . 6.000 4.576 3.901 6.940 0.940 7 1 "[ . + 1]" 1
583 1 20 VAL MG2 1 36 TRP HH2 3.800 . 5.600 2.601 2.290 3.275 . 0 0 "[ . 1]" 1
584 1 20 VAL MG2 1 36 TRP HZ2 3.200 . 4.500 3.131 2.613 4.470 . 0 0 "[ . 1]" 1
585 1 20 VAL MG2 1 81 LEU H 3.500 . 5.000 3.019 2.319 5.257 0.257 7 0 "[ . 1]" 1
586 1 20 VAL MG2 1 81 LEU HB3 3.600 . 5.200 2.446 1.799 4.955 0.201 9 0 "[ . 1]" 1
587 1 20 VAL MG2 1 81 LEU QD 3.100 . 4.300 3.003 2.159 5.111 0.811 7 1 "[ . + 1]" 1
588 1 20 VAL MG2 1 81 LEU QD 3.000 . 4.100 2.427 1.821 2.939 0.079 6 0 "[ . 1]" 1
589 1 20 VAL MG2 1 81 LEU HG 3.400 . 4.800 3.975 3.288 5.243 0.443 7 0 "[ . 1]" 1
590 1 20 VAL MG2 1 81 LEU HG 3.600 . 5.200 3.374 2.924 3.592 . 0 0 "[ . 1]" 1
591 1 20 VAL MG2 1 83 MET ME 3.000 . 4.100 2.330 2.025 3.312 . 0 0 "[ . 1]" 1
592 1 20 VAL MG2 1 113 VAL MG2 3.200 . 4.500 3.483 2.908 3.776 . 0 0 "[ . 1]" 1
593 1 20 VAL MG2 1 94 TYR QB 3.600 . 5.200 3.234 2.851 3.868 . 0 0 "[ . 1]" 1
594 1 20 VAL MG2 1 111 THR MG 3.500 . 5.000 3.025 1.943 3.560 0.057 7 0 "[ . 1]" 1
595 1 21 SER H 1 22 CYS H 4.600 . 6.000 4.455 4.429 4.485 . 0 0 "[ . 1]" 1
596 1 21 SER H 1 36 TRP HZ2 3.500 . 5.000 4.015 3.727 4.389 . 0 0 "[ . 1]" 1
597 1 21 SER H 1 80 TYR HA 4.700 . 6.000 4.655 4.557 4.789 . 0 0 "[ . 1]" 1
598 1 21 SER H 1 81 LEU H 3.600 . 5.300 4.850 4.718 5.007 . 0 0 "[ . 1]" 1
599 1 21 SER H 1 113 VAL MG2 3.800 . 5.600 4.766 4.562 5.005 . 0 0 "[ . 1]" 1
600 1 21 SER HA 1 22 CYS H 2.400 . 3.100 2.405 2.358 2.436 . 0 0 "[ . 1]" 1
601 1 21 SER HA 1 22 CYS HA 5.000 . 6.000 4.496 4.452 4.520 . 0 0 "[ . 1]" 1
602 1 21 SER HA 1 22 CYS QB 4.400 . 6.000 3.767 3.695 3.815 . 0 0 "[ . 1]" 1
603 1 21 SER HA 1 22 CYS HB3 5.500 . 6.000 4.141 3.866 4.519 . 0 0 "[ . 1]" 1
604 1 21 SER HA 1 36 TRP HZ2 2.900 . 3.900 2.387 2.027 2.744 . 0 0 "[ . 1]" 1
605 1 21 SER HA 1 70 ILE MD 4.800 . 6.000 5.057 4.876 5.265 . 0 0 "[ . 1]" 1
606 1 21 SER HA 1 78 THR MG 3.900 . 5.800 3.961 3.526 4.334 . 0 0 "[ . 1]" 1
607 1 21 SER HA 1 79 LEU H 3.700 . 5.400 3.557 3.382 3.716 . 0 0 "[ . 1]" 1
608 1 21 SER HA 1 80 TYR HA 2.300 . 3.000 2.327 2.140 2.516 . 0 0 "[ . 1]" 1
609 1 21 SER HA 1 80 TYR HB3 5.100 . 6.000 4.282 3.944 4.587 . 0 0 "[ . 1]" 1
610 1 21 SER HA 1 81 LEU H 3.600 . 5.200 3.798 3.509 4.071 . 0 0 "[ . 1]" 1
611 1 21 SER HB2 1 22 CYS H 3.400 . 4.900 2.444 2.362 2.585 . 0 0 "[ . 1]" 1
612 1 21 SER HB2 1 78 THR MG 3.000 . 4.100 2.630 2.300 2.996 . 0 0 "[ . 1]" 1
613 1 21 SER HB2 1 80 TYR HA 5.800 . 6.000 4.107 3.599 4.469 . 0 0 "[ . 1]" 1
614 1 21 SER HB2 1 80 TYR QD 4.200 . 6.000 3.755 3.532 3.997 . 0 0 "[ . 1]" 1
615 1 21 SER HB2 1 80 TYR QE 4.100 . 6.000 3.338 2.994 3.527 . 0 0 "[ . 1]" 1
616 1 21 SER HB2 1 81 LEU H 4.600 . 6.000 5.844 5.464 6.203 0.203 10 0 "[ . 1]" 1
617 1 21 SER HB3 1 22 CYS H 3.000 . 4.100 3.780 3.522 3.944 . 0 0 "[ . 1]" 1
618 1 21 SER HB3 1 78 THR MG 3.200 . 4.500 4.031 3.693 4.305 . 0 0 "[ . 1]" 1
619 1 21 SER HB3 1 79 LEU H 5.000 . 6.000 4.743 4.392 5.065 . 0 0 "[ . 1]" 1
620 1 21 SER HB3 1 80 TYR HA 4.000 . 6.000 3.893 3.370 4.358 . 0 0 "[ . 1]" 1
621 1 21 SER HB3 1 80 TYR QD 2.600 . 3.500 2.850 2.356 3.441 . 0 0 "[ . 1]" 1
622 1 21 SER HB3 1 80 TYR QE 3.300 . 4.700 2.833 2.452 3.353 . 0 0 "[ . 1]" 1
623 1 22 CYS H 1 23 ALA H 4.800 . 6.000 3.989 3.796 4.207 . 0 0 "[ . 1]" 1
624 1 22 CYS H 1 36 TRP HE1 3.800 . 5.600 2.902 2.357 3.335 . 0 0 "[ . 1]" 1
625 1 22 CYS H 1 78 THR HA 4.000 . 6.000 3.753 3.632 3.805 . 0 0 "[ . 1]" 1
626 1 22 CYS H 1 78 THR MG 3.600 . 5.300 2.628 1.999 3.186 . 0 0 "[ . 1]" 1
627 1 22 CYS H 1 78 THR MG 3.100 . 4.300 2.634 2.000 3.203 . 0 0 "[ . 1]" 1
628 1 22 CYS H 1 79 LEU H 3.100 . 4.300 2.426 2.262 2.855 . 0 0 "[ . 1]" 1
629 1 22 CYS H 1 79 LEU H 3.100 . 4.300 2.437 2.270 2.875 . 0 0 "[ . 1]" 1
630 1 22 CYS H 1 79 LEU HB2 4.500 . 6.000 3.900 3.587 4.075 . 0 0 "[ . 1]" 1
631 1 22 CYS H 1 79 LEU HB2 3.800 . 5.600 4.366 3.828 4.769 . 0 0 "[ . 1]" 1
632 1 22 CYS H 1 79 LEU HB3 4.800 . 6.000 3.335 3.087 3.509 . 0 0 "[ . 1]" 1
633 1 22 CYS H 1 79 LEU QD 3.500 . 5.000 2.437 1.837 2.892 0.163 3 0 "[ . 1]" 1
634 1 22 CYS H 1 79 LEU QD 5.000 . 6.000 4.821 4.687 4.946 . 0 0 "[ . 1]" 1
635 1 22 CYS H 1 80 TYR HA 3.300 . 4.700 3.964 3.795 4.164 . 0 0 "[ . 1]" 1
636 1 22 CYS H 1 80 TYR QD 3.400 . 4.800 4.649 4.519 4.827 0.027 3 0 "[ . 1]" 1
637 1 22 CYS HA 1 23 ALA H 2.400 . 3.100 2.150 2.130 2.182 . 0 0 "[ . 1]" 1
638 1 22 CYS HA 1 23 ALA MB 4.500 . 6.000 4.017 3.985 4.060 . 0 0 "[ . 1]" 1
639 1 22 CYS HA 1 24 ALA MB 3.900 . 5.800 4.375 4.211 4.464 . 0 0 "[ . 1]" 1
640 1 22 CYS HA 1 96 CYS HB2 4.800 . 6.000 3.933 3.283 4.470 . 0 0 "[ . 1]" 1
641 1 22 CYS HA 1 36 TRP HE1 4.200 . 6.000 4.436 4.169 4.580 . 0 0 "[ . 1]" 1
642 1 22 CYS HA 1 79 LEU QD 3.500 . 5.100 3.342 3.019 3.568 . 0 0 "[ . 1]" 1
643 1 22 CYS HA 1 79 LEU H 4.300 . 6.000 3.964 3.862 4.044 . 0 0 "[ . 1]" 1
644 1 22 CYS HA 1 79 LEU H 4.700 . 6.000 4.227 4.143 4.340 . 0 0 "[ . 1]" 1
645 1 22 CYS QB 1 23 ALA H 3.000 . 4.100 3.852 3.666 3.942 . 0 0 "[ . 1]" 1
646 1 22 CYS QB 1 79 LEU QD 2.800 . 3.800 2.894 2.226 3.129 . 0 0 "[ . 1]" 1
647 1 22 CYS QB 1 79 LEU HB2 3.400 . 4.800 2.970 2.077 3.634 . 0 0 "[ . 1]" 1
648 1 22 CYS HB2 1 23 ALA H 4.800 . 6.000 4.324 3.912 4.623 . 0 0 "[ . 1]" 1
649 1 22 CYS HB2 1 79 LEU QD 2.900 . 4.000 2.356 1.993 2.883 . 0 0 "[ . 1]" 1
650 1 22 CYS HB2 1 36 TRP HZ2 3.200 . 4.500 2.916 2.526 3.220 . 0 0 "[ . 1]" 1
651 1 22 CYS HB2 1 79 LEU H 3.300 . 4.600 4.302 3.293 4.590 . 0 0 "[ . 1]" 1
652 1 22 CYS HB2 1 79 LEU H 4.600 . 6.000 4.261 3.282 4.542 . 0 0 "[ . 1]" 1
653 1 22 CYS HB2 1 79 LEU HB2 3.800 . 5.600 4.139 3.693 4.588 . 0 0 "[ . 1]" 1
654 1 22 CYS HB2 1 79 LEU HB3 4.100 . 6.000 3.607 2.249 3.869 . 0 0 "[ . 1]" 1
655 1 22 CYS HB2 1 79 LEU QD 4.700 . 6.000 4.270 3.569 4.562 . 0 0 "[ . 1]" 1
656 1 22 CYS HB2 1 96 CYS HB2 4.200 . 6.000 3.700 3.229 4.107 . 0 0 "[ . 1]" 1
657 1 22 CYS HB2 1 96 CYS HB3 4.000 . 6.000 2.468 1.901 3.203 0.099 9 0 "[ . 1]" 1
658 1 22 CYS HB3 1 23 ALA H 4.100 . 6.000 4.361 3.958 4.544 . 0 0 "[ . 1]" 1
659 1 22 CYS HB3 1 23 ALA MB 5.400 . 6.000 5.587 5.219 5.798 . 0 0 "[ . 1]" 1
660 1 22 CYS HB3 1 36 TRP HZ2 3.400 . 4.900 3.006 2.063 4.282 . 0 0 "[ . 1]" 1
661 1 22 CYS HB3 1 79 LEU QD 2.700 . 3.600 2.966 2.233 3.318 . 0 0 "[ . 1]" 1
662 1 22 CYS HB3 1 79 LEU H 4.400 . 6.000 2.954 2.647 3.291 . 0 0 "[ . 1]" 1
663 1 22 CYS HB3 1 79 LEU HB2 3.400 . 4.800 3.033 2.087 3.701 . 0 0 "[ . 1]" 1
664 1 22 CYS HB3 1 79 LEU HB3 3.900 . 5.800 2.448 2.190 2.695 . 0 0 "[ . 1]" 1
665 1 22 CYS HB3 1 79 LEU QD 4.300 . 6.000 3.527 3.139 3.703 . 0 0 "[ . 1]" 1
666 1 22 CYS HB3 1 96 CYS HB2 3.400 . 4.800 3.169 2.971 3.654 . 0 0 "[ . 1]" 1
667 1 22 CYS HB3 1 96 CYS HB3 3.500 . 5.000 2.717 2.128 3.295 . 0 0 "[ . 1]" 1
668 1 23 ALA H 1 78 THR HA 4.200 . 6.000 3.131 2.652 4.024 . 0 0 "[ . 1]" 1
669 1 23 ALA H 1 78 THR MG 4.600 . 6.000 3.081 2.790 3.461 . 0 0 "[ . 1]" 1
670 1 23 ALA H 1 24 ALA MB 5.000 . 6.000 4.922 4.559 5.160 . 0 0 "[ . 1]" 1
671 1 23 ALA H 1 78 THR MG 4.700 . 6.000 3.421 2.959 3.918 . 0 0 "[ . 1]" 1
672 1 23 ALA HA 1 24 ALA H 2.100 . 2.700 2.240 2.143 2.604 . 0 0 "[ . 1]" 1
673 1 23 ALA HA 1 24 ALA HA 3.200 . 4.400 2.538 2.114 2.854 . 0 0 "[ . 1]" 1
674 1 23 ALA HA 1 24 ALA MB 3.700 . 5.400 3.982 3.812 4.151 . 0 0 "[ . 1]" 1
675 1 23 ALA HA 1 78 THR HA 3.100 . 4.300 2.555 2.118 2.889 . 0 0 "[ . 1]" 1
676 1 23 ALA MB 1 24 ALA H 2.900 . 3.900 3.093 2.045 3.565 . 0 0 "[ . 1]" 1
677 1 23 ALA MB 1 24 ALA HA 3.700 . 5.400 3.647 3.433 3.886 . 0 0 "[ . 1]" 1
678 1 23 ALA MB 1 24 ALA MB 4.600 . 6.000 4.441 3.994 4.663 . 0 0 "[ . 1]" 1
679 1 23 ALA MB 1 79 LEU H 3.800 . 5.600 4.901 4.648 5.133 . 0 0 "[ . 1]" 1
680 1 23 ALA MB 1 73 ASP HB2 5.300 . 6.000 5.038 4.388 5.704 . 0 0 "[ . 1]" 1
681 1 23 ALA MB 1 78 THR H 3.700 . 5.400 4.092 3.227 4.727 . 0 0 "[ . 1]" 1
682 1 23 ALA MB 1 77 ASN HB3 5.600 . 6.000 5.047 4.406 5.715 . 0 0 "[ . 1]" 1
683 1 23 ALA MB 1 78 THR HA 5.100 . 6.000 4.081 3.700 4.429 . 0 0 "[ . 1]" 1
684 1 23 ALA MB 1 78 THR HB 6.000 . 6.000 5.098 4.771 5.472 . 0 0 "[ . 1]" 1
685 1 23 ALA MB 1 78 THR MG 3.000 . 4.100 2.576 2.316 2.823 . 0 0 "[ . 1]" 1
686 1 24 ALA H 1 77 ASN HB2 4.600 . 6.000 3.933 2.453 5.103 . 0 0 "[ . 1]" 1
687 1 24 ALA H 1 77 ASN QD 3.400 . 4.800 3.689 2.892 4.609 . 0 0 "[ . 1]" 1
688 1 24 ALA H 1 77 ASN HB3 4.700 . 6.000 3.828 2.801 5.086 . 0 0 "[ . 1]" 1
689 1 24 ALA H 1 77 ASN QD 4.700 . 6.000 4.243 2.901 5.367 . 0 0 "[ . 1]" 1
690 1 24 ALA H 1 78 THR MG 4.500 . 6.000 3.647 2.988 4.546 . 0 0 "[ . 1]" 1
691 1 24 ALA HA 1 25 SER H 3.100 . 4.300 2.442 2.245 2.553 . 0 0 "[ . 1]" 1
692 1 24 ALA MB 1 25 SER H 4.100 . 6.000 2.341 2.136 2.752 . 0 0 "[ . 1]" 1
693 1 24 ALA MB 1 26 GLY HA3 4.700 . 6.000 4.080 3.679 4.476 . 0 0 "[ . 1]" 1
694 1 24 ALA MB 1 27 PHE H 3.900 . 5.800 4.454 4.051 4.982 . 0 0 "[ . 1]" 1
695 1 24 ALA MB 1 27 PHE H 4.200 . 6.000 4.115 3.864 4.485 . 0 0 "[ . 1]" 1
696 1 24 ALA MB 1 27 PHE HB2 3.200 . 4.500 3.868 2.503 4.846 0.346 1 0 "[ . 1]" 1
697 1 24 ALA MB 1 27 PHE HB3 3.500 . 5.000 5.192 4.641 5.588 0.588 6 1 "[ .+ 1]" 1
698 1 24 ALA MB 1 27 PHE HB3 4.300 . 6.000 5.422 4.713 5.604 . 0 0 "[ . 1]" 1
699 1 24 ALA MB 1 28 THR HA 4.400 . 6.000 4.857 4.598 5.274 . 0 0 "[ . 1]" 1
700 1 24 ALA MB 1 29 PHE HB2 4.600 . 6.000 4.825 4.381 5.341 . 0 0 "[ . 1]" 1
701 1 24 ALA MB 1 34 MET ME 3.600 . 5.200 2.844 1.882 3.764 0.118 1 0 "[ . 1]" 1
702 1 24 ALA MB 1 34 MET ME 2.700 . 3.600 2.818 1.882 3.655 0.055 9 0 "[ . 1]" 1
703 1 24 ALA MB 1 77 ASN H 5.000 . 6.000 5.846 5.593 6.058 0.058 9 0 "[ . 1]" 1
704 1 24 ALA MB 1 77 ASN HB2 3.900 . 5.800 4.005 2.507 5.222 . 0 0 "[ . 1]" 1
705 1 24 ALA MB 1 77 ASN HB3 4.600 . 6.000 3.607 3.008 4.360 . 0 0 "[ . 1]" 1
706 1 24 ALA MB 1 77 ASN QD 2.600 . 3.400 3.527 2.158 4.586 1.186 9 6 "[ ** * -+*]" 1
707 1 24 ALA MB 1 96 CYS HB2 4.000 . 6.000 3.421 3.068 3.896 . 0 0 "[ . 1]" 1
708 1 26 GLY HA2 1 27 PHE H 4.200 . 6.000 3.392 3.143 3.567 . 0 0 "[ . 1]" 1
709 1 26 GLY HA3 1 27 PHE H 3.600 . 5.200 3.067 2.503 3.418 . 0 0 "[ . 1]" 1
710 1 27 PHE H 1 28 THR MG 5.200 . 6.000 4.204 3.688 4.705 . 0 0 "[ . 1]" 1
711 1 27 PHE QB 1 28 THR MG 4.300 . 6.000 3.497 2.704 3.978 . 0 0 "[ . 1]" 1
712 1 27 PHE HB2 1 32 TYR H 5.700 . 6.000 5.264 4.634 5.920 . 0 0 "[ . 1]" 1
713 1 27 PHE HB2 1 34 MET ME 5.000 . 6.000 5.789 5.158 6.251 0.251 5 0 "[ . 1]" 1
714 1 27 PHE QR 1 98 LYS QG 3.600 . 5.200 3.070 1.978 3.682 0.022 8 0 "[ . 1]" 1
715 1 27 PHE QR 1 104 LEU QD 4.000 . 6.000 4.592 4.385 4.717 . 0 0 "[ . 1]" 1
716 1 27 PHE QR 1 106 ALA MB 3.900 . 5.800 4.591 4.152 4.782 . 0 0 "[ . 1]" 1
717 1 28 THR HA 1 29 PHE H 3.000 . 4.100 2.594 2.207 3.421 . 0 0 "[ . 1]" 1
718 1 28 THR HA 1 29 PHE HB3 4.800 . 6.000 4.337 3.875 4.955 . 0 0 "[ . 1]" 1
719 1 28 THR HA 1 77 ASN QD 3.100 . 4.300 3.138 1.787 4.693 0.393 10 0 "[ . 1]" 1
720 1 28 THR MG 1 29 PHE H 3.500 . 5.100 2.191 1.964 2.366 . 0 0 "[ . 1]" 1
721 1 28 THR MG 1 30 SER H 4.500 . 6.000 4.061 2.467 5.045 . 0 0 "[ . 1]" 1
722 1 28 THR MG 1 30 SER HA 3.900 . 5.800 5.492 4.851 5.963 0.163 10 0 "[ . 1]" 1
723 1 28 THR MG 1 30 SER QB 4.000 . 6.000 3.465 3.112 3.942 . 0 0 "[ . 1]" 1
724 1 28 THR MG 1 31 SER H 6.000 . 6.000 4.183 3.183 5.042 . 0 0 "[ . 1]" 1
725 1 28 THR MG 1 31 SER QB 3.800 . 5.600 3.758 3.125 4.464 . 0 0 "[ . 1]" 1
726 1 28 THR MG 1 77 ASN QD 4.800 . 6.000 4.189 3.449 4.979 . 0 0 "[ . 1]" 1
727 1 29 PHE H 1 77 ASN QD 4.800 . 6.000 4.674 3.103 5.609 . 0 0 "[ . 1]" 1
728 1 29 PHE HA 1 32 TYR H 3.900 . 5.800 3.358 2.694 3.876 . 0 0 "[ . 1]" 1
729 1 29 PHE HA 1 32 TYR QE 3.000 . 4.100 6.314 5.237 7.127 3.027 1 10 [+********-] 1
730 1 29 PHE HA 1 34 MET ME 4.100 . 6.000 5.187 3.979 6.006 0.006 10 0 "[ . 1]" 1
731 1 29 PHE HB2 1 30 SER HA 4.100 . 6.000 4.479 3.767 4.978 . 0 0 "[ . 1]" 1
732 1 29 PHE HB2 1 30 SER QB 3.400 . 4.800 3.173 2.490 3.957 . 0 0 "[ . 1]" 1
733 1 29 PHE HB3 1 30 SER H 5.400 . 6.000 2.245 1.705 3.423 0.095 10 0 "[ . 1]" 1
734 1 29 PHE QR 1 34 MET HG3 4.400 . 6.000 2.478 1.889 2.969 0.011 6 0 "[ . 1]" 1
735 1 29 PHE QR 1 57 SER H 5.000 . 6.000 11.373 10.796 12.053 6.053 3 10 [**+***-***] 1
736 1 29 PHE QR 1 34 MET ME 2.700 . 3.600 2.382 1.688 2.762 0.112 6 0 "[ . 1]" 1
737 1 29 PHE QR 1 34 MET HG2 3.900 . 5.800 3.809 2.963 4.376 . 0 0 "[ . 1]" 1
738 1 29 PHE QR 1 78 THR HA 4.200 . 6.000 3.558 3.206 3.937 . 0 0 "[ . 1]" 1
739 1 29 PHE QD 1 30 SER QB 3.500 . 5.000 3.507 3.468 3.562 . 0 0 "[ . 1]" 1
740 1 29 PHE QE 1 52 ASN H 3.900 . 5.800 3.780 3.226 4.217 . 0 0 "[ . 1]" 1
741 1 29 PHE QE 1 79 LEU QD 2.700 . 3.600 2.416 1.799 3.323 0.201 2 0 "[ . 1]" 1
742 1 30 SER H 1 31 SER H 4.200 . 6.000 2.712 2.502 2.981 . 0 0 "[ . 1]" 1
743 1 30 SER H 1 32 TYR HB3 4.500 . 6.000 5.235 4.828 6.115 0.115 7 0 "[ . 1]" 1
744 1 30 SER H 1 32 TYR HB3 4.900 . 6.000 4.593 3.791 5.011 . 0 0 "[ . 1]" 1
745 1 30 SER H 1 34 MET ME 3.400 . 4.800 3.306 2.350 4.018 . 0 0 "[ . 1]" 1
746 1 30 SER HA 1 32 TYR H 5.000 . 6.000 4.304 3.803 4.704 . 0 0 "[ . 1]" 1
747 1 30 SER HA 1 34 MET HB2 4.400 . 6.000 4.622 4.103 5.637 . 0 0 "[ . 1]" 1
748 1 30 SER HA 1 74 ASN QD 5.000 . 6.000 6.429 4.424 8.204 2.204 2 5 "[ + *. * *-]" 1
749 1 30 SER QB 1 74 ASN HB2 4.500 . 6.000 4.134 3.210 5.262 . 0 0 "[ . 1]" 1
750 1 30 SER QB 1 74 ASN HB3 4.700 . 6.000 3.323 2.500 4.143 . 0 0 "[ . 1]" 1
751 1 30 SER HB3 1 74 ASN QD 3.400 . 4.900 3.271 2.703 3.512 . 0 0 "[ . 1]" 1
752 1 31 SER HA 1 32 TYR H 3.800 . 5.600 3.461 3.406 3.518 . 0 0 "[ . 1]" 1
753 1 31 SER HA 1 53 PRO QB 3.800 . 5.600 2.966 1.929 3.781 0.071 5 0 "[ . 1]" 1
754 1 31 SER QB 1 32 TYR H 3.500 . 5.000 2.932 2.746 3.138 . 0 0 "[ . 1]" 1
755 1 31 SER QB 1 32 TYR QD 3.900 . 5.800 2.709 2.385 3.553 . 0 0 "[ . 1]" 1
756 1 32 TYR H 1 34 MET ME 3.600 . 5.300 4.065 3.381 4.936 . 0 0 "[ . 1]" 1
757 1 32 TYR H 1 34 MET QG 4.800 . 6.000 5.021 4.314 5.601 . 0 0 "[ . 1]" 1
758 1 32 TYR HB2 1 33 HIS H 4.700 . 6.000 3.599 3.143 3.928 . 0 0 "[ . 1]" 1
759 1 32 TYR HB2 1 33 HIS HB2 3.800 . 5.600 2.389 1.962 3.073 0.038 3 0 "[ . 1]" 1
760 1 32 TYR HB2 1 33 HIS HB3 3.200 . 4.500 2.746 1.975 3.743 . 0 0 "[ . 1]" 1
761 1 32 TYR HB2 1 34 MET H 3.500 . 5.000 3.980 3.411 4.289 . 0 0 "[ . 1]" 1
762 1 32 TYR HB2 1 34 MET ME 4.900 . 6.000 5.648 4.155 6.166 0.166 5 0 "[ . 1]" 1
763 1 32 TYR HB2 1 34 MET HG2 4.500 . 6.000 4.007 3.353 4.448 . 0 0 "[ . 1]" 1
764 1 32 TYR HB2 1 35 ALA H 4.900 . 6.000 5.061 4.395 5.353 . 0 0 "[ . 1]" 1
765 1 32 TYR HB2 1 98 LYS QB 3.800 . 5.600 4.526 3.732 5.507 . 0 0 "[ . 1]" 1
766 1 32 TYR HB2 1 98 LYS QB 5.400 . 6.000 4.188 3.640 4.626 . 0 0 "[ . 1]" 1
767 1 32 TYR HB2 1 98 LYS QG 4.600 . 6.000 4.028 3.155 5.533 . 0 0 "[ . 1]" 1
768 1 32 TYR HB3 1 98 LYS HG2 4.300 . 6.000 2.735 1.969 4.078 0.031 10 0 "[ . 1]" 1
769 1 32 TYR HB3 1 99 TYR H 3.300 . 4.700 3.099 2.489 3.721 . 0 0 "[ . 1]" 1
770 1 32 TYR HB3 1 34 MET HG2 4.100 . 6.000 4.029 3.376 4.615 . 0 0 "[ . 1]" 1
771 1 32 TYR HB3 1 34 MET HB2 3.800 . 5.600 5.199 4.036 5.926 0.326 2 0 "[ . 1]" 1
772 1 32 TYR HB3 1 34 MET ME 4.600 . 6.000 5.866 4.125 6.929 0.929 2 2 "[ + . -]" 1
773 1 32 TYR HB3 1 34 MET QG 4.000 . 6.000 4.000 3.313 4.680 . 0 0 "[ . 1]" 1
774 1 32 TYR HB3 1 51 ILE MG 3.900 . 5.800 2.736 1.969 4.067 0.031 10 0 "[ . 1]" 1
775 1 32 TYR HB3 1 98 LYS QB 3.900 . 5.800 3.846 3.458 4.411 . 0 0 "[ . 1]" 1
776 1 32 TYR QE 1 34 MET ME 3.400 . 4.800 7.788 6.230 8.343 3.543 10 10 [**-******+] 1
777 1 33 HIS H 1 97 ALA MB 4.100 . 6.000 6.218 5.985 6.378 0.378 4 0 "[ . 1]" 1
778 1 33 HIS HB2 1 34 MET H 3.900 . 5.800 4.168 3.774 4.582 . 0 0 "[ . 1]" 1
779 1 33 HIS HB2 1 50 THR MG 3.500 . 5.000 4.673 3.240 5.686 0.686 9 1 "[ . +1]" 1
780 1 33 HIS HB2 1 50 THR MG 2.900 . 4.000 3.891 3.213 4.412 0.412 8 0 "[ . 1]" 1
781 1 33 HIS HB2 1 52 ASN H 4.800 . 6.000 3.177 2.494 3.816 . 0 0 "[ . 1]" 1
782 1 33 HIS HB3 1 34 MET H 2.900 . 4.000 3.525 2.761 4.150 0.150 2 0 "[ . 1]" 1
783 1 33 HIS HB3 1 35 ALA MB 4.400 . 6.000 3.535 3.211 3.844 . 0 0 "[ . 1]" 1
784 1 33 HIS HB3 1 51 ILE H 4.200 . 6.000 4.613 4.230 4.935 . 0 0 "[ . 1]" 1
785 1 33 HIS HB3 1 50 THR MG 3.200 . 4.500 3.581 2.830 4.273 . 0 0 "[ . 1]" 1
786 1 33 HIS HB3 1 52 ASN H 4.700 . 6.000 3.880 2.834 4.582 . 0 0 "[ . 1]" 1
787 1 33 HIS HB3 1 99 TYR H 4.000 . 6.000 4.026 2.835 5.169 . 0 0 "[ . 1]" 1
788 1 34 MET H 1 35 ALA H 4.900 . 6.000 4.490 4.418 4.583 . 0 0 "[ . 1]" 1
789 1 34 MET H 1 50 THR MG 4.100 . 6.000 4.351 3.650 4.798 . 0 0 "[ . 1]" 1
790 1 34 MET H 1 50 THR MG 3.500 . 5.000 3.905 3.524 4.115 . 0 0 "[ . 1]" 1
791 1 34 MET H 1 51 ILE H 3.400 . 4.900 3.758 3.391 4.132 . 0 0 "[ . 1]" 1
792 1 34 MET H 1 51 ILE MG 3.600 . 5.200 2.804 2.421 2.951 . 0 0 "[ . 1]" 1
793 1 34 MET H 1 51 ILE MG 2.900 . 3.900 2.764 2.412 2.894 . 0 0 "[ . 1]" 1
794 1 34 MET H 1 52 ASN QB 3.900 . 5.800 4.663 4.228 5.043 . 0 0 "[ . 1]" 1
795 1 34 MET HA 1 35 ALA H 2.500 . 3.300 2.471 2.350 2.637 . 0 0 "[ . 1]" 1
796 1 34 MET HA 1 51 ILE MG 4.100 . 6.000 3.653 3.357 3.911 . 0 0 "[ . 1]" 1
797 1 34 MET HA 1 79 LEU QD 3.300 . 4.600 2.876 2.791 3.052 . 0 0 "[ . 1]" 1
798 1 34 MET HA 1 97 ALA H 3.900 . 5.800 4.251 3.990 4.592 . 0 0 "[ . 1]" 1
799 1 34 MET HA 1 35 ALA MB 3.300 . 4.700 3.399 3.199 3.587 . 0 0 "[ . 1]" 1
800 1 34 MET HA 1 51 ILE MG 4.100 . 6.000 3.638 3.362 3.861 . 0 0 "[ . 1]" 1
801 1 34 MET HA 1 79 LEU QD 4.500 . 6.000 3.310 3.157 3.544 . 0 0 "[ . 1]" 1
802 1 34 MET HA 1 98 LYS HA 3.000 . 4.100 2.135 1.960 2.599 . 0 0 "[ . 1]" 1
803 1 34 MET HA 1 98 LYS QB 5.700 . 6.000 3.932 3.570 4.438 . 0 0 "[ . 1]" 1
804 1 34 MET HA 1 99 TYR H 4.100 . 6.000 2.915 2.524 3.374 . 0 0 "[ . 1]" 1
805 1 34 MET HB2 1 35 ALA H 3.700 . 5.500 3.686 3.140 3.954 . 0 0 "[ . 1]" 1
806 1 34 MET HB2 1 36 TRP H 3.600 . 5.300 4.107 3.787 4.462 . 0 0 "[ . 1]" 1
807 1 34 MET HB2 1 104 LEU QD 4.400 . 6.000 4.691 3.921 5.142 . 0 0 "[ . 1]" 1
808 1 34 MET HB2 1 50 THR MG 4.100 . 6.000 4.208 4.092 4.394 . 0 0 "[ . 1]" 1
809 1 34 MET HB2 1 51 ILE MG 2.800 . 3.800 2.444 2.059 2.764 . 0 0 "[ . 1]" 1
810 1 34 MET HB2 1 70 ILE MD 3.500 . 5.000 3.584 2.925 3.974 . 0 0 "[ . 1]" 1
811 1 34 MET HB2 1 79 LEU QD 3.400 . 4.800 2.704 2.106 3.185 . 0 0 "[ . 1]" 1
812 1 34 MET HB3 1 99 TYR H 3.900 . 5.800 4.062 3.390 4.694 . 0 0 "[ . 1]" 1
813 1 34 MET HB3 1 35 ALA H 2.900 . 3.900 2.355 2.008 2.603 . 0 0 "[ . 1]" 1
814 1 34 MET HB3 1 97 ALA MB 3.600 . 5.200 4.634 4.376 4.786 . 0 0 "[ . 1]" 1
815 1 34 MET HB3 1 51 ILE MG 2.600 . 3.500 3.181 2.648 3.535 0.035 2 0 "[ . 1]" 1
816 1 34 MET HB3 1 51 ILE MG 3.100 . 4.300 1.933 1.657 2.252 0.243 9 0 "[ . 1]" 1
817 1 34 MET HB3 1 79 LEU QD 2.600 . 3.500 1.722 1.485 2.216 0.415 8 0 "[ . 1]" 1
818 1 34 MET HB3 1 79 LEU QD 3.400 . 4.800 1.941 1.662 2.261 0.338 9 0 "[ . 1]" 1
819 1 34 MET ME 1 35 ALA H 4.400 . 6.000 3.488 2.120 4.424 . 0 0 "[ . 1]" 1
820 1 34 MET ME 1 97 ALA MB 3.500 . 5.000 3.941 3.567 4.459 . 0 0 "[ . 1]" 1
821 1 34 MET ME 1 98 LYS H 4.900 . 6.000 3.952 2.604 4.959 . 0 0 "[ . 1]" 1
822 1 34 MET ME 1 98 LYS HA 4.200 . 6.000 3.787 2.631 4.762 . 0 0 "[ . 1]" 1
823 1 34 MET ME 1 98 LYS QB 3.000 . 4.100 3.755 2.209 4.767 0.667 10 1 "[ . +]" 1
824 1 34 MET ME 1 98 LYS QD 2.700 . 3.500 5.893 4.427 6.802 3.302 1 10 [+*-*******] 1
825 1 34 MET HG2 1 98 LYS HG2 3.500 . 5.100 4.207 3.833 4.502 . 0 0 "[ . 1]" 1
826 1 34 MET QG 1 35 ALA H 4.600 . 6.000 3.917 3.598 4.220 . 0 0 "[ . 1]" 1
827 1 34 MET QG 1 51 ILE MG 3.500 . 5.000 4.207 3.678 4.443 . 0 0 "[ . 1]" 1
828 1 34 MET QG 1 79 LEU QD 2.900 . 4.000 3.078 2.626 3.338 . 0 0 "[ . 1]" 1
829 1 34 MET QG 1 79 LEU QD 2.900 . 4.000 2.073 1.851 2.681 . 0 0 "[ . 1]" 1
830 1 34 MET QG 1 99 TYR H 3.300 . 4.700 4.257 4.103 4.352 . 0 0 "[ . 1]" 1
831 1 34 MET HG2 1 51 ILE MG 4.200 . 6.000 3.785 3.520 4.044 . 0 0 "[ . 1]" 1
832 1 34 MET HG2 1 79 LEU QD 4.700 . 6.000 3.981 3.685 4.252 . 0 0 "[ . 1]" 1
833 1 34 MET HG2 1 97 ALA MB 3.400 . 4.800 3.137 2.838 3.418 . 0 0 "[ . 1]" 1
834 1 34 MET HG2 1 98 LYS QB 3.500 . 5.100 3.521 3.047 4.241 . 0 0 "[ . 1]" 1
835 1 34 MET HG2 1 98 LYS QD 4.400 . 6.000 5.425 5.237 5.720 . 0 0 "[ . 1]" 1
836 1 34 MET HG3 1 51 ILE MG 3.600 . 5.200 3.151 2.666 3.420 . 0 0 "[ . 1]" 1
837 1 34 MET HG3 1 79 LEU QD 3.700 . 5.400 3.209 2.689 3.496 . 0 0 "[ . 1]" 1
838 1 35 ALA H 1 51 ILE MG 4.000 . 6.000 3.949 3.654 4.071 . 0 0 "[ . 1]" 1
839 1 35 ALA H 1 51 ILE MG 3.900 . 5.800 2.622 2.402 2.894 . 0 0 "[ . 1]" 1
840 1 35 ALA H 1 70 ILE MD 3.300 . 4.700 3.790 3.654 3.882 . 0 0 "[ . 1]" 1
841 1 35 ALA H 1 79 LEU QD 3.800 . 5.600 2.463 2.283 2.743 . 0 0 "[ . 1]" 1
842 1 35 ALA H 1 97 ALA H 3.100 . 4.300 2.850 2.456 3.379 . 0 0 "[ . 1]" 1
843 1 35 ALA H 1 97 ALA H 3.200 . 4.400 2.821 2.452 3.256 . 0 0 "[ . 1]" 1
844 1 35 ALA H 1 97 ALA MB 4.200 . 6.000 4.413 4.246 4.674 . 0 0 "[ . 1]" 1
845 1 35 ALA H 1 98 LYS HA 3.500 . 5.000 3.865 3.593 4.202 . 0 0 "[ . 1]" 1
846 1 35 ALA H 1 99 TYR H 5.000 . 6.000 4.848 4.256 5.243 . 0 0 "[ . 1]" 1
847 1 35 ALA HA 1 36 TRP HE1 4.100 . 6.000 3.167 2.634 4.042 . 0 0 "[ . 1]" 1
848 1 35 ALA HA 1 36 TRP H 2.400 . 3.100 2.292 2.242 2.377 . 0 0 "[ . 1]" 1
849 1 35 ALA HA 1 36 TRP HB2 4.500 . 6.000 4.223 4.146 4.326 . 0 0 "[ . 1]" 1
850 1 35 ALA HA 1 37 VAL QG 5.400 . 6.000 3.616 3.282 3.968 . 0 0 "[ . 1]" 1
851 1 35 ALA HA 1 49 SER H 4.000 . 6.000 4.925 4.745 5.081 . 0 0 "[ . 1]" 1
852 1 35 ALA HA 1 50 THR H 5.000 . 6.000 4.748 4.611 4.894 . 0 0 "[ . 1]" 1
853 1 35 ALA HA 1 50 THR HA 2.500 . 3.300 2.263 2.150 2.373 . 0 0 "[ . 1]" 1
854 1 35 ALA HA 1 50 THR MG 3.500 . 5.000 4.312 4.022 4.780 . 0 0 "[ . 1]" 1
855 1 35 ALA HA 1 51 ILE H 3.100 . 4.300 3.336 3.148 3.460 . 0 0 "[ . 1]" 1
856 1 35 ALA HA 1 70 ILE MD 3.400 . 4.900 2.275 1.992 2.696 . 0 0 "[ . 1]" 1
857 1 35 ALA HA 1 70 ILE MD 3.100 . 4.300 2.281 1.995 2.714 . 0 0 "[ . 1]" 1
858 1 35 ALA HA 1 79 LEU QD 4.900 . 6.000 2.936 2.867 3.104 . 0 0 "[ . 1]" 1
859 1 35 ALA MB 1 36 TRP H 2.700 . 3.600 2.608 2.322 2.780 . 0 0 "[ . 1]" 1
860 1 35 ALA MB 1 36 TRP HA 3.200 . 4.500 2.318 1.986 2.684 . 0 0 "[ . 1]" 1
861 1 35 ALA MB 1 36 TRP HB2 3.500 . 5.000 3.417 3.031 3.722 . 0 0 "[ . 1]" 1
862 1 35 ALA MB 1 37 VAL H 4.800 . 6.000 4.532 4.234 4.955 . 0 0 "[ . 1]" 1
863 1 35 ALA MB 1 37 VAL HA 3.700 . 5.400 3.873 3.689 4.048 . 0 0 "[ . 1]" 1
864 1 35 ALA MB 1 37 VAL QG 2.700 . 3.600 2.995 2.675 3.320 . 0 0 "[ . 1]" 1
865 1 35 ALA MB 1 37 VAL QG 2.900 . 3.900 2.967 2.660 3.295 . 0 0 "[ . 1]" 1
866 1 35 ALA MB 1 37 VAL QG 2.900 . 4.000 1.872 1.750 2.005 0.050 3 0 "[ . 1]" 1
867 1 35 ALA MB 1 48 VAL H 3.700 . 5.400 5.111 4.370 5.588 0.188 7 0 "[ . 1]" 1
868 1 35 ALA MB 1 46 GLU QG 2.800 . 3.800 2.803 1.628 3.298 0.172 1 0 "[ . 1]" 1
869 1 35 ALA MB 1 47 TRP QB 4.300 . 6.000 3.393 3.180 3.566 . 0 0 "[ . 1]" 1
870 1 35 ALA MB 1 47 TRP HD1 2.600 . 3.400 1.809 1.683 1.928 0.117 1 0 "[ . 1]" 1
871 1 35 ALA MB 1 47 TRP HE1 3.200 . 4.500 2.695 2.016 3.459 . 0 0 "[ . 1]" 1
872 1 35 ALA MB 1 47 TRP HZ2 3.600 . 5.200 3.800 3.556 3.995 . 0 0 "[ . 1]" 1
873 1 35 ALA MB 1 48 VAL HA 4.500 . 6.000 4.686 4.254 5.185 . 0 0 "[ . 1]" 1
874 1 35 ALA MB 1 49 SER H 3.600 . 5.300 3.959 3.718 4.132 . 0 0 "[ . 1]" 1
875 1 35 ALA MB 1 50 THR HA 3.500 . 5.000 2.333 1.990 2.719 0.010 9 0 "[ . 1]" 1
876 1 35 ALA MB 1 50 THR MG 2.300 . 3.000 3.161 3.074 3.379 0.379 1 0 "[ . 1]" 1
877 1 35 ALA MB 1 51 ILE H 4.500 . 6.000 3.706 3.114 4.163 . 0 0 "[ . 1]" 1
878 1 35 ALA MB 1 97 ALA H 3.600 . 5.200 3.643 3.454 3.827 . 0 0 "[ . 1]" 1
879 1 35 ALA MB 1 104 LEU QD 2.900 . 3.900 1.891 1.765 2.054 0.135 3 0 "[ . 1]" 1
880 1 36 TRP H 1 37 VAL H 4.500 . 6.000 4.307 4.195 4.495 . 0 0 "[ . 1]" 1
881 1 36 TRP H 1 37 VAL QG 5.100 . 6.000 4.103 3.932 4.290 . 0 0 "[ . 1]" 1
882 1 36 TRP H 1 37 VAL QG 3.400 . 4.800 3.124 2.997 3.306 . 0 0 "[ . 1]" 1
883 1 36 TRP H 1 37 VAL QG 4.500 . 6.000 3.693 3.586 3.815 . 0 0 "[ . 1]" 1
884 1 36 TRP H 1 38 ARG H 4.300 . 6.000 5.028 4.911 5.142 . 0 0 "[ . 1]" 1
885 1 36 TRP H 1 38 ARG QG 3.700 . 5.400 3.425 2.885 4.542 . 0 0 "[ . 1]" 1
886 1 36 TRP H 1 47 TRP HE1 3.800 . 5.600 2.609 2.258 2.923 . 0 0 "[ . 1]" 1
887 1 36 TRP H 1 48 VAL HB 4.600 . 6.000 4.936 4.456 5.854 . 0 0 "[ . 1]" 1
888 1 36 TRP H 1 48 VAL QG 5.200 . 6.000 4.019 3.394 4.600 . 0 0 "[ . 1]" 1
889 1 36 TRP H 1 48 VAL QG 4.500 . 6.000 3.835 3.358 4.276 . 0 0 "[ . 1]" 1
890 1 36 TRP H 1 48 VAL QG 3.000 . 4.100 2.753 2.121 3.152 . 0 0 "[ . 1]" 1
891 1 36 TRP H 1 49 SER H 2.900 . 4.000 3.060 2.743 3.243 . 0 0 "[ . 1]" 1
892 1 36 TRP H 1 49 SER H 3.100 . 4.300 3.008 2.719 3.168 . 0 0 "[ . 1]" 1
893 1 36 TRP H 1 49 SER QB 4.100 . 6.000 3.530 2.915 4.393 . 0 0 "[ . 1]" 1
894 1 36 TRP H 1 70 ILE MD 3.500 . 5.100 2.613 2.118 3.066 . 0 0 "[ . 1]" 1
895 1 36 TRP H 1 79 LEU QD 4.000 . 6.000 3.296 3.215 3.381 . 0 0 "[ . 1]" 1
896 1 36 TRP HA 1 37 VAL H 2.300 . 3.000 2.163 2.117 2.229 . 0 0 "[ . 1]" 1
897 1 36 TRP HA 1 37 VAL QG 4.600 . 6.000 3.295 2.946 3.462 . 0 0 "[ . 1]" 1
898 1 36 TRP HA 1 37 VAL QG 4.000 . 6.000 3.212 2.838 3.408 . 0 0 "[ . 1]" 1
899 1 36 TRP HA 1 38 ARG H 4.600 . 6.000 4.562 4.259 4.946 . 0 0 "[ . 1]" 1
900 1 36 TRP HA 1 48 VAL QG 5.100 . 6.000 4.574 3.709 5.091 . 0 0 "[ . 1]" 1
901 1 36 TRP HA 1 70 ILE MD 3.400 . 4.800 2.388 2.192 2.921 . 0 0 "[ . 1]" 1
902 1 36 TRP HA 1 70 ILE MD 4.600 . 6.000 4.629 3.780 4.923 . 0 0 "[ . 1]" 1
903 1 36 TRP HA 1 79 LEU QD 4.300 . 6.000 3.026 2.963 3.109 . 0 0 "[ . 1]" 1
904 1 36 TRP HA 1 96 CYS HA 2.900 . 3.900 2.675 2.391 2.881 . 0 0 "[ . 1]" 1
905 1 36 TRP HA 1 96 CYS HB3 4.700 . 6.000 4.158 3.455 4.688 . 0 0 "[ . 1]" 1
906 1 36 TRP HA 1 97 ALA H 3.500 . 5.000 4.005 3.568 4.390 . 0 0 "[ . 1]" 1
907 1 36 TRP HA 1 97 ALA MB 3.400 . 4.900 5.407 5.035 5.833 0.933 10 4 "[ **-. +]" 1
908 1 36 TRP HB2 1 37 VAL H 4.900 . 6.000 4.434 4.085 4.587 . 0 0 "[ . 1]" 1
909 1 36 TRP HB2 1 37 VAL H 3.600 . 5.200 3.657 3.432 3.944 . 0 0 "[ . 1]" 1
910 1 36 TRP HB2 1 37 VAL HB 3.600 . 5.200 3.542 2.999 4.029 . 0 0 "[ . 1]" 1
911 1 36 TRP HB2 1 37 VAL QG 3.600 . 5.200 3.191 2.566 3.645 . 0 0 "[ . 1]" 1
912 1 36 TRP HB2 1 37 VAL QG 4.000 . 6.000 2.499 2.084 2.822 . 0 0 "[ . 1]" 1
913 1 36 TRP HB2 1 48 VAL HB 3.800 . 5.600 4.521 3.809 4.935 . 0 0 "[ . 1]" 1
914 1 36 TRP HB2 1 48 VAL QG 3.800 . 4.800 3.241 2.575 3.738 . 0 0 "[ . 1]" 1
915 1 36 TRP HB2 1 48 VAL QG 3.700 . 5.400 3.157 2.562 3.585 . 0 0 "[ . 1]" 1
916 1 36 TRP HB2 1 49 SER H 3.300 . 4.700 3.439 2.878 3.938 . 0 0 "[ . 1]" 1
917 1 36 TRP HB2 1 49 SER QB 3.700 . 5.400 3.210 2.440 4.424 . 0 0 "[ . 1]" 1
918 1 36 TRP HB2 1 50 THR MG 3.700 . 5.400 3.393 3.139 3.846 . 0 0 "[ . 1]" 1
919 1 36 TRP HB2 1 51 ILE MG 3.700 . 5.500 3.975 3.320 4.361 . 0 0 "[ . 1]" 1
920 1 36 TRP HB2 1 70 ILE MD 4.200 . 6.000 3.425 2.263 3.858 . 0 0 "[ . 1]" 1
921 1 36 TRP HB2 1 79 LEU QD 4.600 . 6.000 3.618 3.472 3.858 . 0 0 "[ . 1]" 1
922 1 36 TRP HB2 1 81 LEU QD 3.400 . 4.800 2.515 2.089 2.849 . 0 0 "[ . 1]" 1
923 1 36 TRP HB2 1 97 ALA H 4.800 . 6.000 5.576 4.750 5.959 . 0 0 "[ . 1]" 1
924 1 36 TRP HB3 1 37 VAL H 3.500 . 5.000 3.515 2.852 3.827 . 0 0 "[ . 1]" 1
925 1 36 TRP HB3 1 37 VAL HB 3.700 . 5.400 3.914 3.097 4.452 . 0 0 "[ . 1]" 1
926 1 36 TRP HB3 1 37 VAL QG 3.600 . 5.300 2.951 2.233 3.394 . 0 0 "[ . 1]" 1
927 1 36 TRP HB3 1 37 VAL QG 4.400 . 6.000 2.577 2.454 2.760 . 0 0 "[ . 1]" 1
928 1 36 TRP HB3 1 48 VAL HB 3.600 . 5.200 4.164 3.132 5.065 . 0 0 "[ . 1]" 1
929 1 36 TRP HB3 1 48 VAL QG 3.700 . 4.900 3.003 2.240 3.494 . 0 0 "[ . 1]" 1
930 1 36 TRP HB3 1 48 VAL QG 3.700 . 5.500 2.936 2.234 3.348 . 0 0 "[ . 1]" 1
931 1 36 TRP HB3 1 49 SER H 3.900 . 5.800 3.990 3.649 4.355 . 0 0 "[ . 1]" 1
932 1 36 TRP HB3 1 50 THR MG 3.900 . 5.800 3.993 3.431 4.762 . 0 0 "[ . 1]" 1
933 1 36 TRP HB3 1 81 LEU QD 3.400 . 4.900 2.610 2.482 2.808 . 0 0 "[ . 1]" 1
934 1 36 TRP HB3 1 83 MET ME 4.200 . 6.000 4.542 4.228 4.827 . 0 0 "[ . 1]" 1
935 1 36 TRP HD1 1 81 LEU QD 2.500 . 3.300 2.851 2.412 3.257 . 0 0 "[ . 1]" 1
936 1 36 TRP HD1 1 71 SER H 4.700 . 6.000 3.855 3.577 4.234 . 0 0 "[ . 1]" 1
937 1 36 TRP HD1 1 70 ILE HG13 4.200 . 6.000 2.107 1.733 2.773 0.267 5 0 "[ . 1]" 1
938 1 36 TRP HD1 1 79 LEU HB2 4.000 . 6.000 4.064 3.388 4.535 . 0 0 "[ . 1]" 1
939 1 36 TRP HD1 1 79 LEU HB3 5.000 . 6.000 2.936 2.235 3.463 . 0 0 "[ . 1]" 1
940 1 36 TRP HD1 1 79 LEU QD 3.500 . 5.000 2.351 1.744 2.752 0.256 7 0 "[ . 1]" 1
941 1 36 TRP HD1 1 79 LEU HG 3.800 . 5.600 3.175 2.242 4.246 . 0 0 "[ . 1]" 1
942 1 36 TRP HD1 1 96 CYS HB2 4.200 . 6.000 4.442 3.228 5.505 . 0 0 "[ . 1]" 1
943 1 36 TRP HD1 1 37 VAL H 4.300 . 6.000 3.974 3.741 4.238 . 0 0 "[ . 1]" 1
944 1 36 TRP HD1 1 48 VAL QG 3.300 . 4.700 2.786 2.404 3.088 . 0 0 "[ . 1]" 1
945 1 36 TRP HD1 1 58 THR MG 3.900 . 5.800 5.244 4.696 5.765 . 0 0 "[ . 1]" 1
946 1 36 TRP HD1 1 70 ILE MG 4.000 . 6.000 3.385 2.793 3.818 . 0 0 "[ . 1]" 1
947 1 36 TRP HD1 1 70 ILE HB 3.800 . 5.600 2.614 1.987 3.570 0.013 2 0 "[ . 1]" 1
948 1 36 TRP HD1 1 70 ILE MD 2.600 . 3.400 2.799 1.771 3.303 0.029 8 0 "[ . 1]" 1
949 1 36 TRP HD1 1 70 ILE HG12 5.100 . 6.000 2.689 2.092 3.956 . 0 0 "[ . 1]" 1
950 1 36 TRP HD1 1 51 ILE MG 5.100 . 6.000 4.852 4.547 5.216 . 0 0 "[ . 1]" 1
951 1 36 TRP HD1 1 69 THR HA 3.900 . 5.800 4.853 4.592 5.037 . 0 0 "[ . 1]" 1
952 1 36 TRP HD1 1 72 ARG HB3 3.900 . 5.800 4.199 3.616 5.285 . 0 0 "[ . 1]" 1
953 1 36 TRP HE1 1 37 VAL H 4.000 . 6.000 4.229 3.516 4.910 . 0 0 "[ . 1]" 1
954 1 36 TRP HE1 1 70 ILE HG12 3.500 . 5.000 2.373 1.370 3.684 0.630 3 1 "[ + . 1]" 1
955 1 36 TRP HE1 1 49 SER QB 5.700 . 6.000 5.397 4.969 5.814 . 0 0 "[ . 1]" 1
956 1 36 TRP HE1 1 50 THR H 5.100 . 6.000 5.699 5.456 5.854 . 0 0 "[ . 1]" 1
957 1 36 TRP HE1 1 81 LEU QD 4.200 . 6.000 3.584 3.366 3.852 . 0 0 "[ . 1]" 1
958 1 36 TRP HE1 1 70 ILE MD 3.700 . 5.400 4.687 3.888 5.373 . 0 0 "[ . 1]" 1
959 1 36 TRP HE1 1 70 ILE HG12 5.300 . 6.000 4.377 3.630 6.161 0.161 8 0 "[ . 1]" 1
960 1 36 TRP HE1 1 70 ILE HG13 3.000 . 4.100 4.409 3.844 4.902 0.802 4 2 "[ +. - 1]" 1
961 1 36 TRP HE1 1 71 SER H 4.000 . 6.000 4.350 4.046 4.523 . 0 0 "[ . 1]" 1
962 1 36 TRP HE1 1 71 SER H 3.900 . 5.800 3.521 3.248 3.794 . 0 0 "[ . 1]" 1
963 1 36 TRP HE1 1 79 LEU HB3 2.800 . 3.800 1.821 1.549 2.082 0.251 9 0 "[ . 1]" 1
964 1 36 TRP HE1 1 79 LEU QD 2.500 . 3.300 2.545 1.784 3.156 0.116 3 0 "[ . 1]" 1
965 1 36 TRP HE1 1 79 LEU HG 3.600 . 5.200 2.635 1.937 3.643 0.063 1 0 "[ . 1]" 1
966 1 36 TRP HE1 1 81 LEU H 5.500 . 6.000 4.020 3.475 4.736 . 0 0 "[ . 1]" 1
967 1 36 TRP HE1 1 81 LEU HB2 2.800 . 3.800 3.204 2.700 3.613 . 0 0 "[ . 1]" 1
968 1 36 TRP HE1 1 81 LEU HB3 4.100 . 6.000 4.467 3.841 5.326 . 0 0 "[ . 1]" 1
969 1 36 TRP HE1 1 81 LEU QD 3.300 . 4.700 4.167 3.799 4.527 . 0 0 "[ . 1]" 1
970 1 36 TRP HE3 1 37 VAL H 3.700 . 5.400 3.168 2.327 3.927 . 0 0 "[ . 1]" 1
971 1 36 TRP HE3 1 94 TYR QB 3.400 . 4.800 2.313 2.106 2.711 . 0 0 "[ . 1]" 1
972 1 36 TRP HE3 1 81 LEU QD 4.200 . 6.000 3.596 3.156 3.896 . 0 0 "[ . 1]" 1
973 1 36 TRP HE3 1 94 TYR H 4.300 . 6.000 4.367 4.231 4.479 . 0 0 "[ . 1]" 1
974 1 36 TRP HE3 1 94 TYR QB 3.400 . 4.800 2.318 2.108 2.719 . 0 0 "[ . 1]" 1
975 1 36 TRP HE3 1 95 TYR H 3.200 . 4.500 3.364 2.769 3.720 . 0 0 "[ . 1]" 1
976 1 36 TRP HH2 1 111 THR MG 3.500 . 5.100 2.586 2.333 2.960 . 0 0 "[ . 1]" 1
977 1 36 TRP HZ2 1 79 LEU QD 2.900 . 4.000 3.577 3.222 3.793 . 0 0 "[ . 1]" 1
978 1 36 TRP HZ2 1 81 LEU H 3.300 . 4.700 3.621 3.519 3.797 . 0 0 "[ . 1]" 1
979 1 36 TRP HZ2 1 96 CYS HB3 4.900 . 6.000 4.049 3.598 4.700 . 0 0 "[ . 1]" 1
980 1 36 TRP HZ3 1 37 VAL H 4.800 . 6.000 4.034 3.811 4.168 . 0 0 "[ . 1]" 1
981 1 36 TRP HZ3 1 37 VAL QG 3.600 . 5.200 3.006 2.546 3.394 . 0 0 "[ . 1]" 1
982 1 36 TRP HZ3 1 37 VAL QG 3.500 . 5.000 3.688 3.154 4.213 . 0 0 "[ . 1]" 1
983 1 36 TRP HZ3 1 49 SER QB 4.200 . 6.000 2.900 2.633 3.481 . 0 0 "[ . 1]" 1
984 1 36 TRP HZ3 1 81 LEU QD 3.400 . 4.900 3.103 2.602 3.398 . 0 0 "[ . 1]" 1
985 1 36 TRP HZ3 1 93 VAL HB 3.800 . 5.600 4.868 4.380 5.442 . 0 0 "[ . 1]" 1
986 1 36 TRP HZ3 1 93 VAL QG 3.300 . 4.700 2.172 1.829 2.419 0.071 9 0 "[ . 1]" 1
987 1 37 VAL H 1 45 LEU HB2 4.100 . 6.000 4.559 4.305 4.777 . 0 0 "[ . 1]" 1
988 1 37 VAL H 1 45 LEU QD 6.000 . 6.000 4.594 4.264 5.308 . 0 0 "[ . 1]" 1
989 1 37 VAL H 1 45 LEU MD1 3.900 . 5.800 4.944 4.332 5.687 . 0 0 "[ . 1]" 1
990 1 37 VAL H 1 93 VAL QG 5.000 . 6.000 3.593 3.131 4.348 . 0 0 "[ . 1]" 1
991 1 37 VAL H 1 94 TYR HA 3.300 . 4.700 3.123 2.881 3.396 . 0 0 "[ . 1]" 1
992 1 37 VAL H 1 97 ALA MB 3.500 . 5.000 4.881 4.542 5.350 0.350 6 0 "[ . 1]" 1
993 1 37 VAL H 1 95 TYR HB3 5.000 . 6.000 5.218 4.707 5.682 . 0 0 "[ . 1]" 1
994 1 37 VAL H 1 97 ALA H 4.400 . 6.000 4.630 4.243 5.096 . 0 0 "[ . 1]" 1
995 1 37 VAL HA 1 38 ARG H 2.400 . 3.100 2.417 2.372 2.444 . 0 0 "[ . 1]" 1
996 1 37 VAL HA 1 38 ARG QG 4.400 . 6.000 5.484 5.184 5.583 . 0 0 "[ . 1]" 1
997 1 37 VAL HA 1 45 LEU QD 5.200 . 6.000 4.016 3.686 4.682 . 0 0 "[ . 1]" 1
998 1 37 VAL HA 1 45 LEU MD1 4.300 . 6.000 4.451 3.708 5.120 . 0 0 "[ . 1]" 1
999 1 37 VAL HA 1 47 TRP HA 2.600 . 3.400 2.576 2.117 2.887 . 0 0 "[ . 1]" 1
1000 1 37 VAL HA 1 48 VAL H 2.800 . 3.800 3.321 2.042 4.326 0.526 10 1 "[ . +]" 1
1001 1 37 VAL HA 1 48 VAL HA 4.600 . 6.000 3.896 3.731 4.181 . 0 0 "[ . 1]" 1
1002 1 37 VAL HA 1 48 VAL HB 4.800 . 6.000 3.537 2.522 5.217 . 0 0 "[ . 1]" 1
1003 1 37 VAL HA 1 48 VAL QG . . 4.100 2.884 2.305 3.270 . 0 0 "[ . 1]" 1
1004 1 37 VAL HA 1 49 SER H 3.900 . 5.800 4.134 3.845 4.322 . 0 0 "[ . 1]" 1
1005 1 37 VAL HB 1 38 ARG H 2.400 . 3.100 2.582 2.308 3.147 0.047 6 0 "[ . 1]" 1
1006 1 37 VAL HB 1 38 ARG HD2 5.200 . 6.000 5.439 3.547 6.634 0.634 8 1 "[ . + 1]" 1
1007 1 37 VAL HB 1 45 LEU HA 4.700 . 6.000 4.367 3.775 4.879 . 0 0 "[ . 1]" 1
1008 1 37 VAL HB 1 45 LEU QD 3.000 . 4.100 2.356 1.678 3.202 0.222 5 0 "[ . 1]" 1
1009 1 37 VAL HB 1 47 TRP HA 4.300 . 6.000 3.525 2.679 4.578 . 0 0 "[ . 1]" 1
1010 1 37 VAL HB 1 104 LEU QD 3.900 . 5.800 3.795 3.558 3.959 . 0 0 "[ . 1]" 1
1011 1 37 VAL QG 1 38 ARG H 2.700 . 3.600 2.482 1.680 2.891 0.120 10 0 "[ . 1]" 1
1012 1 37 VAL QG 1 38 ARG HA 4.100 . 6.000 3.357 3.168 3.520 . 0 0 "[ . 1]" 1
1013 1 37 VAL QG 1 46 GLU H 3.900 . 5.800 3.051 2.077 3.836 . 0 0 "[ . 1]" 1
1014 1 37 VAL QG 1 40 ALA H 4.800 . 6.000 5.899 5.542 6.287 0.287 5 0 "[ . 1]" 1
1015 1 37 VAL QG 1 94 TYR QB 3.700 . 5.400 3.998 3.752 4.248 . 0 0 "[ . 1]" 1
1016 1 37 VAL QG 1 45 LEU H 3.700 . 5.400 4.152 3.498 4.938 . 0 0 "[ . 1]" 1
1017 1 37 VAL QG 1 45 LEU HB3 2.900 . 4.000 1.949 1.547 2.360 0.253 10 0 "[ . 1]" 1
1018 1 37 VAL QG 1 45 LEU HB3 3.100 . 4.300 2.240 1.903 2.521 . 0 0 "[ . 1]" 1
1019 1 37 VAL QG 1 45 LEU QD . . 2.700 1.810 1.511 2.186 0.389 3 0 "[ . 1]" 1
1020 1 37 VAL QG 1 45 LEU QD 2.900 . 3.900 1.518 1.394 1.658 0.506 3 1 "[ + . 1]" 1
1021 1 37 VAL QG 1 45 LEU HG 2.300 . 3.000 2.272 1.561 2.664 0.039 10 0 "[ . 1]" 1
1022 1 37 VAL QG 1 45 LEU HG 3.000 . 4.200 2.195 1.558 2.490 0.242 10 0 "[ . 1]" 1
1023 1 37 VAL QG 1 46 GLU H 4.300 . 6.000 3.057 2.080 3.671 . 0 0 "[ . 1]" 1
1024 1 37 VAL QG 1 46 GLU HB3 4.500 . 6.000 3.225 2.431 4.181 . 0 0 "[ . 1]" 1
1025 1 37 VAL QG 1 47 TRP H 4.300 . 6.000 3.440 3.020 3.901 . 0 0 "[ . 1]" 1
1026 1 37 VAL QG 1 47 TRP H 4.300 . 6.000 3.333 2.978 3.671 . 0 0 "[ . 1]" 1
1027 1 37 VAL QG 1 47 TRP HA 2.600 . 3.400 1.778 1.584 2.137 0.216 3 0 "[ . 1]" 1
1028 1 37 VAL QG 1 47 TRP QB 3.500 . 5.000 2.110 1.843 2.482 0.157 9 0 "[ . 1]" 1
1029 1 37 VAL QG 1 47 TRP HD1 3.100 . 4.300 2.151 1.732 2.882 0.168 8 0 "[ . 1]" 1
1030 1 37 VAL QG 1 47 TRP HE1 5.700 . 6.000 5.441 5.011 5.695 . 0 0 "[ . 1]" 1
1031 1 37 VAL QG 1 47 TRP HE1 5.000 . 6.000 4.665 4.493 4.834 . 0 0 "[ . 1]" 1
1032 1 37 VAL QG 1 48 VAL H 3.900 . 5.800 3.837 3.064 4.449 . 0 0 "[ . 1]" 1
1033 1 37 VAL QG 1 49 SER H 4.100 . 6.000 3.691 3.553 3.823 . 0 0 "[ . 1]" 1
1034 1 37 VAL QG 1 107 TRP HB3 4.900 . 6.000 3.843 3.349 4.181 . 0 0 "[ . 1]" 1
1035 1 37 VAL QG 1 95 TYR HB2 3.300 . 4.600 2.194 1.913 2.583 0.087 9 0 "[ . 1]" 1
1036 1 37 VAL QG 1 95 TYR HB3 2.600 . 3.400 3.428 3.054 3.723 0.323 8 0 "[ . 1]" 1
1037 1 37 VAL QG 1 95 TYR QD 3.100 . 4.300 2.198 1.736 3.041 0.164 8 0 "[ . 1]" 1
1038 1 37 VAL QG 1 97 ALA H 3.800 . 5.600 3.515 3.176 3.778 . 0 0 "[ . 1]" 1
1039 1 37 VAL QG 1 104 LEU QD 3.000 . 3.600 1.655 1.567 1.717 0.333 2 0 "[ . 1]" 1
1040 1 38 ARG H 1 45 LEU MD1 3.500 . 5.000 2.919 2.473 3.389 . 0 0 "[ . 1]" 1
1041 1 38 ARG H 1 39 GLN HB2 3.500 . 5.000 4.808 4.623 4.954 . 0 0 "[ . 1]" 1
1042 1 38 ARG H 1 39 GLN HB3 3.700 . 5.400 3.920 3.208 4.480 . 0 0 "[ . 1]" 1
1043 1 38 ARG H 1 45 LEU HA 4.200 . 6.000 4.011 3.596 4.339 . 0 0 "[ . 1]" 1
1044 1 38 ARG H 1 45 LEU HB2 4.000 . 6.000 3.953 3.649 4.201 . 0 0 "[ . 1]" 1
1045 1 38 ARG H 1 45 LEU HB3 4.500 . 6.000 3.439 2.977 4.061 . 0 0 "[ . 1]" 1
1046 1 38 ARG H 1 45 LEU MD1 3.800 . 5.600 2.616 1.880 3.450 0.120 5 0 "[ . 1]" 1
1047 1 38 ARG H 1 45 LEU HG 4.100 . 6.000 2.418 1.755 3.149 0.245 8 0 "[ . 1]" 1
1048 1 38 ARG H 1 47 TRP H 5.000 . 6.000 3.953 3.838 4.198 . 0 0 "[ . 1]" 1
1049 1 38 ARG H 1 46 GLU QG 3.100 . 4.300 3.995 3.224 4.693 0.393 2 0 "[ . 1]" 1
1050 1 38 ARG H 1 47 TRP HA 3.900 . 5.800 4.040 3.770 4.262 . 0 0 "[ . 1]" 1
1051 1 38 ARG H 1 48 VAL H 4.400 . 6.000 4.447 3.790 5.172 . 0 0 "[ . 1]" 1
1052 1 38 ARG H 1 48 VAL QG . . 4.500 3.124 2.556 3.399 . 0 0 "[ . 1]" 1
1053 1 38 ARG HA 1 39 GLN H 2.200 . 2.800 2.266 2.169 2.314 . 0 0 "[ . 1]" 1
1054 1 38 ARG HA 1 39 GLN HA 2.900 . 3.900 2.104 1.975 2.198 . 0 0 "[ . 1]" 1
1055 1 38 ARG HA 1 39 GLN HB2 6.000 . 6.000 4.379 4.010 4.720 . 0 0 "[ . 1]" 1
1056 1 38 ARG HA 1 39 GLN HB3 4.900 . 6.000 4.450 4.257 4.781 . 0 0 "[ . 1]" 1
1057 1 38 ARG HA 1 45 LEU MD1 4.800 . 6.000 3.626 2.874 5.165 . 0 0 "[ . 1]" 1
1058 1 38 ARG HA 1 45 LEU MD1 4.200 . 6.000 3.407 2.843 4.253 . 0 0 "[ . 1]" 1
1059 1 38 ARG HA 1 48 VAL HB 4.800 . 6.000 4.647 4.360 4.979 . 0 0 "[ . 1]" 1
1060 1 38 ARG HA 1 48 VAL QG 3.600 . 5.200 4.200 3.769 4.643 . 0 0 "[ . 1]" 1
1061 1 38 ARG HA 1 92 ALA H 5.200 . 6.000 5.321 5.019 5.477 . 0 0 "[ . 1]" 1
1062 1 38 ARG HA 1 92 ALA MB 3.700 . 5.400 4.075 3.535 4.296 . 0 0 "[ . 1]" 1
1063 1 38 ARG HA 1 93 VAL H 4.300 . 6.000 4.691 4.311 5.009 . 0 0 "[ . 1]" 1
1064 1 38 ARG HA 1 94 TYR H 5.000 . 6.000 4.559 4.470 4.714 . 0 0 "[ . 1]" 1
1065 1 38 ARG HA 1 94 TYR HA 2.700 . 3.600 2.109 1.978 2.203 . 0 0 "[ . 1]" 1
1066 1 38 ARG HA 1 94 TYR QB 5.700 . 6.000 3.964 3.840 4.056 . 0 0 "[ . 1]" 1
1067 1 38 ARG HA 1 94 TYR QR 3.800 . 5.600 3.593 3.431 3.819 . 0 0 "[ . 1]" 1
1068 1 38 ARG QB 1 39 GLN H 3.100 . 4.300 3.439 2.967 3.637 . 0 0 "[ . 1]" 1
1069 1 38 ARG QB 1 48 VAL QG 3.200 . 4.500 2.128 1.869 2.582 0.031 6 0 "[ . 1]" 1
1070 1 38 ARG QB 1 90 ASP HB2 3.500 . 5.100 2.839 1.854 3.755 0.046 10 0 "[ . 1]" 1
1071 1 38 ARG QB 1 92 ALA MB 2.500 . 3.300 3.634 2.867 3.962 0.662 7 3 "[ - .*+ 1]" 1
1072 1 38 ARG QB 1 93 VAL H 3.800 . 5.600 5.216 3.962 5.582 . 0 0 "[ . 1]" 1
1073 1 38 ARG HB2 1 39 GLN H 4.300 . 6.000 3.711 3.034 4.061 . 0 0 "[ . 1]" 1
1074 1 38 ARG HB2 1 39 GLN HA 4.100 . 6.000 3.341 2.857 3.710 . 0 0 "[ . 1]" 1
1075 1 38 ARG HB2 1 92 ALA H 3.300 . 4.600 3.247 2.991 3.414 . 0 0 "[ . 1]" 1
1076 1 38 ARG HB2 1 92 ALA MB 3.100 . 4.300 3.899 2.924 4.334 0.034 6 0 "[ . 1]" 1
1077 1 38 ARG HB2 1 94 TYR QE 4.500 . 6.000 2.778 2.509 3.229 . 0 0 "[ . 1]" 1
1078 1 38 ARG HB3 1 39 GLN H 4.400 . 6.000 4.120 3.965 4.397 . 0 0 "[ . 1]" 1
1079 1 38 ARG HB3 1 39 GLN HA 4.200 . 6.000 4.210 3.533 4.406 . 0 0 "[ . 1]" 1
1080 1 38 ARG HB3 1 64 VAL QG 4.100 . 6.000 3.827 3.595 3.930 . 0 0 "[ . 1]" 1
1081 1 38 ARG HB3 1 90 ASP HB3 3.000 . 4.100 2.797 1.992 3.546 . 0 0 "[ . 1]" 1
1082 1 38 ARG HB3 1 92 ALA MB 3.200 . 4.500 4.399 4.126 4.737 0.237 2 0 "[ . 1]" 1
1083 1 38 ARG HB3 1 94 TYR QE 4.300 . 6.000 3.607 2.922 3.974 . 0 0 "[ . 1]" 1
1084 1 38 ARG HB3 1 94 TYR HH 5.400 . 6.000 4.798 3.793 6.025 0.025 6 0 "[ . 1]" 1
1085 1 38 ARG HD2 1 48 VAL MG1 2.700 . 3.600 3.193 1.841 4.118 0.518 9 1 "[ . +1]" 1
1086 1 38 ARG QD 1 39 GLN H 5.800 . 6.000 4.409 4.125 4.891 . 0 0 "[ . 1]" 1
1087 1 38 ARG QD 1 40 ALA MB 4.800 . 6.000 3.859 3.155 4.875 . 0 0 "[ . 1]" 1
1088 1 38 ARG QD 1 46 GLU HB2 4.100 . 6.000 4.430 3.434 4.960 . 0 0 "[ . 1]" 1
1089 1 38 ARG QD 1 48 VAL H 5.000 . 6.000 4.574 4.397 4.799 . 0 0 "[ . 1]" 1
1090 1 38 ARG QD 1 48 VAL QG 3.000 . 4.100 2.876 1.839 3.228 0.061 3 0 "[ . 1]" 1
1091 1 38 ARG QD 1 48 VAL QG 3.000 . 4.100 2.308 1.836 2.533 0.064 3 0 "[ . 1]" 1
1092 1 38 ARG QD 1 64 VAL QG 3.700 . 5.400 1.901 1.707 2.201 0.293 10 0 "[ . 1]" 1
1093 1 38 ARG QD 1 92 ALA MB 2.800 . 3.800 2.655 2.203 3.844 0.044 3 0 "[ . 1]" 1
1094 1 38 ARG QD 1 94 TYR QE 2.700 . 3.600 3.017 2.874 3.068 . 0 0 "[ . 1]" 1
1095 1 38 ARG QD 1 94 TYR HH 4.000 . 6.000 2.677 1.696 3.652 0.304 4 0 "[ . 1]" 1
1096 1 38 ARG HE 1 45 LEU MD1 3.500 . 5.100 5.544 4.915 6.576 1.476 2 3 "[ + . *- 1]" 1
1097 1 38 ARG HE 1 46 GLU HB3 4.900 . 6.000 2.821 2.136 3.753 . 0 0 "[ . 1]" 1
1098 1 38 ARG HE 1 46 GLU HB3 6.000 . 6.000 2.593 2.118 3.073 . 0 0 "[ . 1]" 1
1099 1 38 ARG HE 1 46 GLU HB3 5.400 . 6.000 2.818 2.136 3.743 . 0 0 "[ . 1]" 1
1100 1 38 ARG HE 1 48 VAL QG 3.900 . 5.400 3.226 2.447 4.084 . 0 0 "[ . 1]" 1
1101 1 38 ARG HE 1 48 VAL QG 2.700 . 3.600 3.176 2.440 3.946 0.346 5 0 "[ . 1]" 1
1102 1 38 ARG HE 1 92 ALA MB 3.200 . 4.500 4.262 3.678 4.709 0.209 2 0 "[ . 1]" 1
1103 1 38 ARG QG 1 39 GLN H 4.000 . 6.000 2.396 2.013 2.980 . 0 0 "[ . 1]" 1
1104 1 38 ARG QG 1 46 GLU H 2.900 . 4.000 3.315 2.970 3.622 . 0 0 "[ . 1]" 1
1105 1 38 ARG QG 1 47 TRP H 4.300 . 6.000 5.403 4.902 5.810 . 0 0 "[ . 1]" 1
1106 1 38 ARG QG 1 46 GLU HB3 3.300 . 4.700 4.335 3.681 5.183 0.483 6 0 "[ . 1]" 1
1107 1 38 ARG QG 1 48 VAL QG 3.100 . 3.300 3.764 3.501 4.020 0.720 4 5 "[- +* **]" 1
1108 1 38 ARG QG 1 90 ASP H 5.600 . 6.000 4.278 3.568 4.807 . 0 0 "[ . 1]" 1
1109 1 38 ARG QG 1 90 ASP HB2 3.200 . 4.500 3.372 2.697 4.046 . 0 0 "[ . 1]" 1
1110 1 38 ARG QG 1 92 ALA H 5.300 . 6.000 4.564 4.229 4.964 . 0 0 "[ . 1]" 1
1111 1 38 ARG QG 1 93 VAL H 4.500 . 6.000 3.741 3.442 3.983 . 0 0 "[ . 1]" 1
1112 1 38 ARG QG 1 94 TYR HH 6.000 . 6.000 3.439 2.716 4.203 . 0 0 "[ . 1]" 1
1113 1 39 GLN H 1 45 LEU HA 4.800 . 6.000 4.402 3.777 4.760 . 0 0 "[ . 1]" 1
1114 1 39 GLN H 1 45 LEU MD1 5.500 . 6.000 3.739 2.879 5.209 . 0 0 "[ . 1]" 1
1115 1 39 GLN H 1 45 LEU MD2 3.300 . 4.600 3.855 3.709 3.989 . 0 0 "[ . 1]" 1
1116 1 39 GLN H 1 93 VAL HB 3.300 . 4.700 3.056 2.804 3.444 . 0 0 "[ . 1]" 1
1117 1 39 GLN H 1 92 ALA MB 2.800 . 3.800 2.730 2.262 3.168 . 0 0 "[ . 1]" 1
1118 1 39 GLN H 1 93 VAL QG 2.800 . 3.800 2.410 1.834 2.818 0.166 3 0 "[ . 1]" 1
1119 1 39 GLN H 1 92 ALA HA 4.600 . 6.000 4.241 3.981 4.422 . 0 0 "[ . 1]" 1
1120 1 39 GLN H 1 92 ALA MB 3.000 . 4.100 2.749 2.266 3.218 . 0 0 "[ . 1]" 1
1121 1 39 GLN H 1 93 VAL H 2.700 . 3.600 2.910 2.473 3.200 . 0 0 "[ . 1]" 1
1122 1 39 GLN H 1 93 VAL HB 3.700 . 5.400 3.464 3.087 3.785 . 0 0 "[ . 1]" 1
1123 1 39 GLN HA 1 92 ALA MB 3.200 . 4.500 2.051 1.726 3.109 0.174 2 0 "[ . 1]" 1
1124 1 39 GLN HA 1 45 LEU HA 3.500 . 5.000 2.493 1.942 3.027 0.058 2 0 "[ . 1]" 1
1125 1 39 GLN HA 1 45 LEU MD1 4.200 . 6.000 3.344 2.676 4.693 . 0 0 "[ . 1]" 1
1126 1 39 GLN HB2 1 40 ALA H 3.600 . 5.200 4.365 4.211 4.593 . 0 0 "[ . 1]" 1
1127 1 39 GLN HB2 1 45 LEU HA 2.900 . 4.000 2.688 1.948 3.390 . 0 0 "[ . 1]" 1
1128 1 39 GLN HB2 1 45 LEU MD1 2.800 . 3.800 2.182 1.778 3.668 0.022 10 0 "[ . 1]" 1
1129 1 39 GLN HB2 1 45 LEU QD 3.100 . 4.300 2.148 1.775 3.444 0.125 10 0 "[ . 1]" 1
1130 1 39 GLN HB2 1 93 VAL H 4.600 . 6.000 5.006 4.333 5.397 . 0 0 "[ . 1]" 1
1131 1 39 GLN HB2 1 93 VAL QG 4.100 . 6.000 4.582 3.956 4.806 . 0 0 "[ . 1]" 1
1132 1 39 GLN HB3 1 43 LYS H 3.600 . 5.300 4.066 3.486 4.753 . 0 0 "[ . 1]" 1
1133 1 39 GLN HB3 1 43 LYS HB3 3.000 . 4.100 3.440 2.145 4.713 0.613 7 1 "[ . + 1]" 1
1134 1 39 GLN HB3 1 45 LEU H 2.900 . 3.900 2.638 1.843 3.803 0.057 7 0 "[ . 1]" 1
1135 1 39 GLN HB3 1 45 LEU HA 4.200 . 6.000 3.148 2.294 4.191 . 0 0 "[ . 1]" 1
1136 1 39 GLN HB3 1 45 LEU MD1 3.100 . 4.300 2.990 2.325 4.370 0.070 2 0 "[ . 1]" 1
1137 1 39 GLN HB3 1 92 ALA MB 3.200 . 4.500 4.015 3.904 4.153 . 0 0 "[ . 1]" 1
1138 1 39 GLN HB3 1 40 ALA H 4.500 . 6.000 4.310 4.155 4.453 . 0 0 "[ . 1]" 1
1139 1 39 GLN HB3 1 45 LEU HA 4.000 . 6.000 4.168 3.505 4.895 . 0 0 "[ . 1]" 1
1140 1 39 GLN HB3 1 45 LEU QD 3.700 . 5.400 2.929 2.296 3.407 . 0 0 "[ . 1]" 1
1141 1 39 GLN HB3 1 93 VAL H 3.300 . 4.600 3.624 3.363 3.897 . 0 0 "[ . 1]" 1
1142 1 39 GLN HB3 1 93 VAL HB 2.700 . 3.600 2.844 2.720 2.890 . 0 0 "[ . 1]" 1
1143 1 39 GLN HB3 1 93 VAL QG 2.900 . 4.000 3.202 2.658 3.378 . 0 0 "[ . 1]" 1
1144 1 39 GLN HE21 1 43 LYS H 4.200 . 6.000 4.865 2.936 6.310 0.310 1 0 "[ . 1]" 1
1145 1 39 GLN HE21 1 44 GLY HA2 4.400 . 6.000 3.464 2.583 4.804 . 0 0 "[ . 1]" 1
1146 1 39 GLN HE21 1 45 LEU H 4.100 . 6.000 2.860 2.018 4.691 . 0 0 "[ . 1]" 1
1147 1 39 GLN HE21 1 45 LEU HA 3.800 . 5.600 3.586 2.424 4.619 . 0 0 "[ . 1]" 1
1148 1 39 GLN HE21 1 45 LEU HB2 5.700 . 6.000 3.095 1.633 5.941 . 0 0 "[ . 1]" 1
1149 1 39 GLN HE21 1 45 LEU QD 5.400 . 6.000 3.274 1.894 4.690 . 0 0 "[ . 1]" 1
1150 1 39 GLN HE22 1 44 GLY HA2 4.300 . 6.000 4.060 3.364 4.631 . 0 0 "[ . 1]" 1
1151 1 39 GLN HE22 1 44 GLY HA3 4.200 . 6.000 4.571 3.845 5.225 . 0 0 "[ . 1]" 1
1152 1 39 GLN HE22 1 45 LEU H 5.000 . 6.000 4.285 3.336 5.682 . 0 0 "[ . 1]" 1
1153 1 39 GLN HE22 1 45 LEU QD 4.400 . 6.000 3.519 2.018 5.497 . 0 0 "[ . 1]" 1
1154 1 39 GLN HE22 1 45 LEU MD1 3.100 . 4.300 2.078 1.706 2.715 0.194 5 0 "[ . 1]" 1
1155 1 39 GLN QG 1 40 ALA H 2.800 . 3.800 3.099 2.527 3.509 . 0 0 "[ . 1]" 1
1156 1 39 GLN HG2 1 40 ALA H 4.400 . 6.000 3.760 3.487 4.163 . 0 0 "[ . 1]" 1
1157 1 39 GLN HG2 1 44 GLY HA2 3.800 . 5.700 4.265 2.241 5.481 . 0 0 "[ . 1]" 1
1158 1 39 GLN HG2 1 45 LEU HA 3.500 . 5.000 3.856 2.250 4.258 . 0 0 "[ . 1]" 1
1159 1 39 GLN HG2 1 45 LEU QD 2.900 . 4.000 3.663 2.980 4.050 0.050 7 0 "[ . 1]" 1
1160 1 39 GLN HG3 1 40 ALA H 4.000 . 6.000 3.446 2.562 5.105 . 0 0 "[ . 1]" 1
1161 1 39 GLN HG3 1 40 ALA MB 3.700 . 5.400 4.422 4.131 5.003 . 0 0 "[ . 1]" 1
1162 1 39 GLN HG3 1 44 GLY HA2 4.500 . 6.000 3.177 2.291 4.383 . 0 0 "[ . 1]" 1
1163 1 39 GLN HG3 1 45 LEU QD 4.300 . 6.000 3.527 2.380 4.511 . 0 0 "[ . 1]" 1
1164 1 40 ALA H 1 41 PRO HB2 3.200 . 4.400 2.671 2.204 3.383 . 0 0 "[ . 1]" 1
1165 1 40 ALA H 1 41 PRO HD2 4.500 . 6.000 4.628 2.331 5.128 . 0 0 "[ . 1]" 1
1166 1 40 ALA H 1 41 PRO HD3 4.000 . 6.000 4.890 3.003 5.407 . 0 0 "[ . 1]" 1
1167 1 40 ALA H 1 43 LYS H 4.800 . 6.000 4.296 2.318 5.420 . 0 0 "[ . 1]" 1
1168 1 40 ALA H 1 43 LYS HB3 4.800 . 6.000 3.084 2.313 3.951 . 0 0 "[ . 1]" 1
1169 1 40 ALA H 1 43 LYS HG3 3.400 . 4.900 4.656 3.021 5.421 0.521 10 1 "[ . +]" 1
1170 1 40 ALA H 1 45 LEU HA 4.400 . 6.000 4.360 3.834 4.907 . 0 0 "[ . 1]" 1
1171 1 40 ALA H 1 45 LEU QD 5.600 . 6.000 4.993 4.529 5.937 . 0 0 "[ . 1]" 1
1172 1 40 ALA H 1 92 ALA MB 3.800 . 5.600 3.355 3.059 3.651 . 0 0 "[ . 1]" 1
1173 1 40 ALA H 1 92 ALA MB 3.600 . 5.200 3.345 3.054 3.631 . 0 0 "[ . 1]" 1
1174 1 40 ALA HA 1 93 VAL QG 4.300 . 6.000 3.260 3.174 3.349 . 0 0 "[ . 1]" 1
1175 1 40 ALA MB 1 41 PRO HB2 3.300 . 4.600 3.826 3.223 4.061 . 0 0 "[ . 1]" 1
1176 1 40 ALA MB 1 41 PRO HD2 2.500 . 3.300 2.273 1.840 3.201 . 0 0 "[ . 1]" 1
1177 1 40 ALA MB 1 41 PRO HD3 2.700 . 3.600 3.046 1.783 3.481 0.017 5 0 "[ . 1]" 1
1178 1 40 ALA MB 1 41 PRO HG2 3.600 . 5.200 3.905 3.348 4.384 . 0 0 "[ . 1]" 1
1179 1 40 ALA MB 1 41 PRO HG3 5.700 . 6.000 4.368 3.268 4.749 . 0 0 "[ . 1]" 1
1180 1 40 ALA MB 1 43 LYS QE 3.700 . 5.400 3.948 1.949 6.060 0.660 5 2 "[ + -]" 1
1181 1 40 ALA MB 1 112 GLN QE 3.100 . 4.300 3.977 3.320 4.590 0.290 9 0 "[ . 1]" 1
1182 1 40 ALA MB 1 92 ALA HA 3.100 . 4.300 4.020 1.866 4.699 0.399 6 0 "[ . 1]" 1
1183 1 40 ALA MB 1 92 ALA MB 2.400 . 3.100 2.407 1.658 2.924 0.042 5 0 "[ . 1]" 1
1184 1 40 ALA MB 1 93 VAL H 3.900 . 5.800 4.669 2.663 5.267 . 0 0 "[ . 1]" 1
1185 1 40 ALA MB 1 93 VAL QG 3.300 . 4.700 5.237 3.403 5.770 1.070 6 7 "[ *-*.+***1]" 1
1186 1 41 PRO HA 1 42 GLY H 3.900 . 5.800 2.761 2.181 3.583 . 0 0 "[ . 1]" 1
1187 1 41 PRO HA 1 43 LYS H 4.200 . 6.000 4.455 4.120 5.309 . 0 0 "[ . 1]" 1
1188 1 41 PRO HB2 1 42 GLY H 5.100 . 6.000 3.225 1.767 3.941 0.033 5 0 "[ . 1]" 1
1189 1 41 PRO HD2 1 92 ALA HA 4.000 . 6.000 4.332 3.727 5.239 . 0 0 "[ . 1]" 1
1190 1 41 PRO HD2 1 92 ALA MB 4.000 . 6.000 3.394 2.838 3.823 . 0 0 "[ . 1]" 1
1191 1 41 PRO HD2 1 93 VAL H 3.900 . 5.800 5.808 5.265 6.094 0.294 10 0 "[ . 1]" 1
1192 1 41 PRO HD3 1 91 THR MG 4.000 . 6.000 4.125 3.544 4.828 . 0 0 "[ . 1]" 1
1193 1 41 PRO HD3 1 92 ALA MB 4.600 . 6.000 3.035 1.808 4.028 0.192 5 0 "[ . 1]" 1
1194 1 41 PRO HD3 1 93 VAL H 3.700 . 5.500 4.707 3.924 5.685 0.185 10 0 "[ . 1]" 1
1195 1 42 GLY HA2 1 43 LYS H 3.900 . 5.800 2.918 2.461 3.471 . 0 0 "[ . 1]" 1
1196 1 42 GLY HA2 1 43 LYS H 2.400 . 3.100 2.153 2.024 2.762 . 0 0 "[ . 1]" 1
1197 1 42 GLY HA2 1 43 LYS HB2 4.300 . 6.000 4.624 4.300 4.828 . 0 0 "[ . 1]" 1
1198 1 42 GLY HA2 1 43 LYS HG3 5.200 . 6.000 6.055 5.325 6.944 0.944 1 1 "[+ . 1]" 1
1199 1 42 GLY HA3 1 43 LYS H 3.300 . 4.700 3.310 2.240 3.567 . 0 0 "[ . 1]" 1
1200 1 43 LYS QB 1 44 GLY H 2.400 . 3.100 2.329 1.816 3.094 . 0 0 "[ . 1]" 1
1201 1 43 LYS QB 1 44 GLY HA2 4.800 . 6.000 4.142 3.908 4.366 . 0 0 "[ . 1]" 1
1202 1 43 LYS HB2 1 44 GLY H 3.300 . 4.600 3.077 1.975 3.742 0.025 7 0 "[ . 1]" 1
1203 1 43 LYS HB3 1 44 GLY H 2.900 . 4.000 2.470 1.904 3.552 . 0 0 "[ . 1]" 1
1204 1 43 LYS HB3 1 44 GLY HA2 4.800 . 6.000 4.083 3.545 5.503 . 0 0 "[ . 1]" 1
1205 1 43 LYS HB3 1 44 GLY HA3 4.500 . 6.000 4.770 4.029 5.768 . 0 0 "[ . 1]" 1
1206 1 43 LYS QD 1 44 GLY H 4.600 . 6.000 3.946 3.146 4.540 . 0 0 "[ . 1]" 1
1207 1 43 LYS QG 1 44 GLY H 3.600 . 5.200 2.356 1.996 3.726 0.004 8 0 "[ . 1]" 1
1208 1 43 LYS HG3 1 44 GLY H 5.100 . 6.000 3.029 2.351 4.055 . 0 0 "[ . 1]" 1
1209 1 44 GLY HA2 1 45 LEU H 2.800 . 3.700 3.005 2.647 3.522 . 0 0 "[ . 1]" 1
1210 1 44 GLY HA2 1 45 LEU HB2 4.500 . 6.000 4.129 3.894 4.494 . 0 0 "[ . 1]" 1
1211 1 44 GLY HA3 1 45 LEU HB2 4.200 . 6.000 4.824 4.101 5.291 . 0 0 "[ . 1]" 1
1212 1 45 LEU H 1 46 GLU H 4.800 . 6.000 4.257 3.917 4.451 . 0 0 "[ . 1]" 1
1213 1 45 LEU HA 1 46 GLU H 2.200 . 2.800 2.286 2.110 2.423 . 0 0 "[ . 1]" 1
1214 1 45 LEU HA 1 104 LEU QD 4.900 . 6.000 3.109 2.292 3.591 . 0 0 "[ . 1]" 1
1215 1 45 LEU HB2 1 46 GLU H 3.200 . 4.500 2.462 1.766 3.106 0.134 8 0 "[ . 1]" 1
1216 1 45 LEU HB2 1 47 TRP H 5.000 . 6.000 4.388 4.127 4.627 . 0 0 "[ . 1]" 1
1217 1 45 LEU QD 1 47 TRP HA 4.500 . 6.000 4.186 3.164 4.997 . 0 0 "[ . 1]" 1
1218 1 45 LEU MD1 1 93 VAL H 4.000 . 6.000 4.430 3.984 4.808 . 0 0 "[ . 1]" 1
1219 1 45 LEU QD 1 47 TRP H 4.900 . 6.000 4.518 2.727 5.489 . 0 0 "[ . 1]" 1
1220 1 45 LEU QD 1 95 TYR HB3 3.900 . 5.800 4.266 3.696 4.754 . 0 0 "[ . 1]" 1
1221 1 45 LEU QD 1 95 TYR QD 3.100 . 4.300 1.998 1.768 2.582 0.132 6 0 "[ . 1]" 1
1222 1 45 LEU QD 1 107 TRP HE1 3.400 . 4.800 7.313 7.042 7.489 2.689 4 10 [-**+******] 1
1223 1 45 LEU MD1 1 95 TYR HB2 3.700 . 5.400 3.676 3.023 3.988 . 0 0 "[ . 1]" 1
1224 1 45 LEU MD2 1 46 GLU H 3.800 . 5.600 3.575 2.027 4.508 . 0 0 "[ . 1]" 1
1225 1 45 LEU MD2 1 106 ALA MB 3.100 . 4.300 2.234 1.783 2.986 0.117 10 0 "[ . 1]" 1
1226 1 45 LEU HG 1 107 TRP HE1 3.900 . 5.800 6.045 5.414 7.115 1.315 10 2 "[- . +]" 1
1227 1 46 GLU H 1 47 TRP HA 4.700 . 6.000 4.633 4.471 5.052 . 0 0 "[ . 1]" 1
1228 1 46 GLU HA 1 47 TRP H 2.200 . 2.800 2.167 2.129 2.227 . 0 0 "[ . 1]" 1
1229 1 46 GLU HB2 1 47 TRP H 4.300 . 6.000 4.005 3.642 4.364 . 0 0 "[ . 1]" 1
1230 1 46 GLU QG 1 47 TRP H 4.800 . 5.400 2.695 2.599 3.020 . 0 0 "[ . 1]" 1
1231 1 46 GLU QG 1 48 VAL HA 4.800 . 6.000 2.781 2.476 3.280 . 0 0 "[ . 1]" 1
1232 1 46 GLU QG 1 48 VAL QG 3.400 . 4.700 2.244 1.486 2.916 0.514 10 1 "[ . +]" 1
1233 1 46 GLU QG 1 49 SER H 4.400 . 6.000 5.322 4.871 5.863 . 0 0 "[ . 1]" 1
1234 1 47 TRP H 1 48 VAL H 5.300 . 6.000 3.378 2.585 4.384 . 0 0 "[ . 1]" 1
1235 1 47 TRP HA 1 48 VAL H 2.300 . 3.000 2.939 2.154 3.476 0.476 4 0 "[ . 1]" 1
1236 1 47 TRP HA 1 48 VAL QG 4.000 . 6.000 4.007 3.329 4.453 . 0 0 "[ . 1]" 1
1237 1 47 TRP HA 1 49 SER H 4.800 . 6.000 4.394 4.162 4.501 . 0 0 "[ . 1]" 1
1238 1 47 TRP HA 1 104 LEU QD 3.600 . 5.200 3.266 2.505 3.529 . 0 0 "[ . 1]" 1
1239 1 47 TRP QB 1 48 VAL H 4.500 . 6.000 3.539 3.168 3.897 . 0 0 "[ . 1]" 1
1240 1 47 TRP QB 1 48 VAL QG 3.700 . 5.400 4.734 4.497 4.969 . 0 0 "[ . 1]" 1
1241 1 47 TRP QB 1 61 ALA MB 3.500 . 5.000 4.291 3.935 4.623 . 0 0 "[ . 1]" 1
1242 1 47 TRP QB 1 104 LEU QD 3.000 . 4.200 3.013 2.394 3.383 . 0 0 "[ . 1]" 1
1243 1 47 TRP QB 1 104 LEU QD 3.400 . 4.800 3.107 2.398 3.525 . 0 0 "[ . 1]" 1
1244 1 47 TRP QB 1 104 LEU QD 3.600 . 5.300 3.092 2.396 3.508 . 0 0 "[ . 1]" 1
1245 1 47 TRP HD1 1 50 THR HB 4.600 . 6.000 3.765 3.642 3.894 . 0 0 "[ . 1]" 1
1246 1 47 TRP HD1 1 48 VAL QG 2.900 . 3.900 1.850 1.586 2.215 0.314 4 0 "[ . 1]" 1
1247 1 47 TRP HD1 1 49 SER H 3.400 . 4.800 3.519 3.248 3.718 . 0 0 "[ . 1]" 1
1248 1 47 TRP HD1 1 50 THR MG 3.300 . 4.700 2.962 2.481 3.239 . 0 0 "[ . 1]" 1
1249 1 47 TRP HE1 1 49 SER H 4.400 . 6.000 3.963 3.692 4.053 . 0 0 "[ . 1]" 1
1250 1 47 TRP HE1 1 49 SER HA 4.400 . 6.000 3.087 2.715 3.393 . 0 0 "[ . 1]" 1
1251 1 47 TRP HE1 1 50 THR H 3.400 . 4.800 2.659 2.263 3.018 . 0 0 "[ . 1]" 1
1252 1 47 TRP HE1 1 50 THR HA 4.100 . 6.000 2.858 2.504 3.308 . 0 0 "[ . 1]" 1
1253 1 47 TRP HE1 1 50 THR HB 4.700 . 6.000 2.027 1.780 2.460 0.220 1 0 "[ . 1]" 1
1254 1 47 TRP HE1 1 50 THR MG 4.000 . 6.000 3.543 3.454 3.632 . 0 0 "[ . 1]" 1
1255 1 47 TRP HE1 1 81 LEU HG 3.900 . 5.800 4.867 4.031 5.585 . 0 0 "[ . 1]" 1
1256 1 47 TRP HE3 1 61 ALA MB 3.000 . 4.100 3.318 3.127 3.526 . 0 0 "[ . 1]" 1
1257 1 47 TRP HH2 1 61 ALA H 3.400 . 4.900 4.362 4.220 4.505 . 0 0 "[ . 1]" 1
1258 1 47 TRP HH2 1 61 ALA HA 3.000 . 4.100 3.481 2.945 4.129 0.029 1 0 "[ . 1]" 1
1259 1 47 TRP HH2 1 61 ALA MB 3.400 . 4.900 4.528 4.069 5.034 0.134 1 0 "[ . 1]" 1
1260 1 47 TRP HZ2 1 50 THR H 3.300 . 4.600 3.142 2.572 3.543 . 0 0 "[ . 1]" 1
1261 1 47 TRP HZ2 1 50 THR H 3.000 . 4.100 3.169 2.579 3.625 . 0 0 "[ . 1]" 1
1262 1 47 TRP HZ2 1 50 THR HB 3.300 . 4.600 2.260 1.855 2.866 0.145 9 0 "[ . 1]" 1
1263 1 47 TRP HZ2 1 50 THR MG 3.100 . 4.300 1.899 1.744 2.372 0.156 1 0 "[ . 1]" 1
1264 1 47 TRP HZ2 1 58 THR MG 4.600 . 6.000 4.455 4.316 4.593 . 0 0 "[ . 1]" 1
1265 1 47 TRP HZ2 1 61 ALA H 3.500 . 5.000 3.541 3.441 3.587 . 0 0 "[ . 1]" 1
1266 1 47 TRP HZ2 1 61 ALA MB 3.500 . 5.100 4.254 4.147 4.376 . 0 0 "[ . 1]" 1
1267 1 47 TRP HZ3 1 61 ALA MB 3.400 . 4.800 3.213 2.913 3.469 . 0 0 "[ . 1]" 1
1268 1 48 VAL H 1 49 SER H 2.400 . 3.100 3.484 2.575 4.064 0.964 4 6 "[ -*+. ** *]" 1
1269 1 48 VAL H 1 49 SER HA 4.800 . 6.000 5.301 5.025 5.485 . 0 0 "[ . 1]" 1
1270 1 48 VAL H 1 104 LEU QD 5.000 . 6.000 4.146 3.866 4.620 . 0 0 "[ . 1]" 1
1271 1 48 VAL HA 1 64 VAL QG 3.000 . 4.100 2.029 1.917 2.254 . 0 0 "[ . 1]" 1
1272 1 48 VAL HA 1 64 VAL QG 3.300 . 4.700 2.048 1.932 2.330 . 0 0 "[ . 1]" 1
1273 1 48 VAL HA 1 61 ALA H 3.200 . 4.400 3.361 3.216 3.526 . 0 0 "[ . 1]" 1
1274 1 48 VAL HA 1 61 ALA MB 2.400 . 3.100 2.372 2.117 2.646 . 0 0 "[ . 1]" 1
1275 1 48 VAL HA 1 64 VAL QG 3.700 . 5.400 2.060 1.935 2.342 0.065 9 0 "[ . 1]" 1
1276 1 48 VAL HB 1 49 SER H 2.600 . 3.400 2.506 2.160 3.014 . 0 0 "[ . 1]" 1
1277 1 48 VAL HB 1 49 SER QB 3.100 . 4.300 4.368 4.179 4.601 0.301 7 0 "[ . 1]" 1
1278 1 48 VAL HB 1 61 ALA MB 4.000 . 6.000 4.585 4.347 4.821 . 0 0 "[ . 1]" 1
1279 1 48 VAL HB 1 64 VAL QG 3.900 . 5.800 3.345 2.440 3.859 . 0 0 "[ . 1]" 1
1280 1 48 VAL HB 1 64 VAL QG 3.400 . 4.800 3.315 2.438 3.812 . 0 0 "[ . 1]" 1
1281 1 48 VAL HB 1 64 VAL QG 3.900 . 5.800 3.134 2.404 3.500 . 0 0 "[ . 1]" 1
1282 1 48 VAL QG 1 49 SER H 3.200 . 4.300 2.191 1.757 2.876 0.143 5 0 "[ . 1]" 1
1283 1 48 VAL QG 1 49 SER HA 4.600 . 6.000 3.505 3.218 3.809 . 0 0 "[ . 1]" 1
1284 1 48 VAL QG 1 49 SER QB 3.900 . 5.800 2.921 2.276 3.570 . 0 0 "[ . 1]" 1
1285 1 48 VAL QG 1 49 SER QB 2.900 . 4.000 2.804 2.181 3.333 . 0 0 "[ . 1]" 1
1286 1 48 VAL QG 1 49 SER QB 2.800 . 3.800 1.938 1.779 2.142 0.021 7 0 "[ . 1]" 1
1287 1 48 VAL QG 1 50 THR H 3.300 . 4.600 2.667 2.449 2.850 . 0 0 "[ . 1]" 1
1288 1 48 VAL QG 1 51 ILE HB 3.700 . 5.400 4.515 4.098 5.296 . 0 0 "[ . 1]" 1
1289 1 48 VAL QG 1 60 TYR HB2 3.600 . 5.200 2.904 2.303 3.460 . 0 0 "[ . 1]" 1
1290 1 48 VAL QG 1 61 ALA H 3.800 . 5.600 4.032 3.645 4.576 . 0 0 "[ . 1]" 1
1291 1 48 VAL QG 1 61 ALA H 4.200 . 6.000 3.717 3.483 3.946 . 0 0 "[ . 1]" 1
1292 1 48 VAL QG 1 61 ALA MB 3.100 . 4.300 3.375 3.132 3.575 . 0 0 "[ . 1]" 1
1293 1 48 VAL QG 1 61 ALA MB 2.700 . 3.600 2.036 1.934 2.384 . 0 0 "[ . 1]" 1
1294 1 48 VAL QG 1 64 VAL QG 2.700 . 3.600 1.784 1.418 1.956 0.382 7 0 "[ . 1]" 1
1295 1 48 VAL QG 1 64 VAL QG 3.700 . 5.400 1.736 1.411 1.891 0.589 7 1 "[ . + 1]" 1
1296 1 48 VAL QG 1 90 ASP HB3 3.200 . 4.500 2.345 2.013 2.782 . 0 0 "[ . 1]" 1
1297 1 49 SER H 1 50 THR MG 5.100 . 6.000 4.813 4.463 5.942 . 0 0 "[ . 1]" 1
1298 1 49 SER H 1 64 VAL QG 4.600 . 6.000 3.552 3.443 3.709 . 0 0 "[ . 1]" 1
1299 1 49 SER HA 1 50 THR H 2.500 . 3.300 2.252 2.200 2.292 . 0 0 "[ . 1]" 1
1300 1 49 SER HA 1 64 VAL QG 3.500 . 5.100 3.656 3.435 3.875 . 0 0 "[ . 1]" 1
1301 1 49 SER HA 1 61 ALA H 3.400 . 4.800 3.851 3.635 4.070 . 0 0 "[ . 1]" 1
1302 1 49 SER QB 1 50 THR H 3.500 . 5.000 2.679 2.553 2.753 . 0 0 "[ . 1]" 1
1303 1 49 SER QB 1 50 THR H 3.600 . 5.200 2.669 2.545 2.739 . 0 0 "[ . 1]" 1
1304 1 49 SER QB 1 70 ILE HB 3.900 . 5.800 1.977 1.630 2.926 0.370 5 0 "[ . 1]" 1
1305 1 49 SER QB 1 70 ILE MG 3.300 . 4.600 2.156 1.870 2.785 0.130 7 0 "[ . 1]" 1
1306 1 49 SER QB 1 64 VAL QG 4.100 . 6.000 3.332 2.708 3.552 . 0 0 "[ . 1]" 1
1307 1 49 SER QB 1 64 VAL QG 3.400 . 4.800 2.731 2.533 2.985 . 0 0 "[ . 1]" 1
1308 1 49 SER QB 1 68 PHE H 3.700 . 5.400 4.004 3.756 4.260 . 0 0 "[ . 1]" 1
1309 1 49 SER QB 1 81 LEU QD 3.300 . 4.700 2.818 2.528 3.288 . 0 0 "[ . 1]" 1
1310 1 49 SER QB 1 70 ILE HB 4.500 . 6.000 1.979 1.630 2.934 0.370 5 0 "[ . 1]" 1
1311 1 49 SER QB 1 70 ILE MD 3.700 . 5.100 2.632 2.249 3.186 . 0 0 "[ . 1]" 1
1312 1 49 SER QB 1 70 ILE MG 4.700 . 6.000 2.178 1.875 2.839 0.025 7 0 "[ . 1]" 1
1313 1 49 SER QB 1 81 LEU HB3 4.100 . 5.800 2.870 2.547 3.432 . 0 0 "[ . 1]" 1
1314 1 49 SER QB 1 81 LEU QD 3.000 . 4.100 2.873 2.551 3.439 . 0 0 "[ . 1]" 1
1315 1 49 SER HG 1 51 ILE H 6.000 . 6.000 6.795 6.588 6.947 0.947 9 10 [*-******+*] 1
1316 1 50 THR H 1 51 ILE H 4.400 . 6.000 4.326 4.234 4.434 . 0 0 "[ . 1]" 1
1317 1 50 THR H 1 51 ILE MD 5.000 . 6.000 5.066 4.916 5.278 . 0 0 "[ . 1]" 1
1318 1 50 THR H 1 58 THR HA 4.300 . 6.000 4.883 4.595 5.097 . 0 0 "[ . 1]" 1
1319 1 50 THR H 1 59 TYR H 3.300 . 4.700 3.197 2.997 3.385 . 0 0 "[ . 1]" 1
1320 1 50 THR H 1 59 TYR H 3.200 . 4.500 3.113 2.949 3.269 . 0 0 "[ . 1]" 1
1321 1 50 THR H 1 59 TYR HB2 3.500 . 5.000 4.054 3.774 4.319 . 0 0 "[ . 1]" 1
1322 1 50 THR H 1 59 TYR HB2 3.900 . 5.800 3.530 3.436 3.625 . 0 0 "[ . 1]" 1
1323 1 50 THR H 1 59 TYR HB3 3.700 . 5.400 5.427 5.142 5.773 0.373 2 0 "[ . 1]" 1
1324 1 50 THR H 1 59 TYR HB3 3.700 . 5.400 3.234 3.021 3.424 . 0 0 "[ . 1]" 1
1325 1 50 THR H 1 64 VAL QG 5.000 . 6.000 4.428 4.318 4.538 . 0 0 "[ . 1]" 1
1326 1 50 THR H 1 70 ILE HB 6.000 . 6.000 4.136 3.817 4.460 . 0 0 "[ . 1]" 1
1327 1 50 THR HA 1 51 ILE H 2.400 . 3.100 2.226 2.178 2.306 . 0 0 "[ . 1]" 1
1328 1 50 THR HA 1 51 ILE MG 4.000 . 6.000 3.834 3.667 4.005 . 0 0 "[ . 1]" 1
1329 1 50 THR HA 1 51 ILE MG 3.200 . 4.500 2.368 2.182 2.827 . 0 0 "[ . 1]" 1
1330 1 50 THR HB 1 51 ILE H 4.200 . 6.000 4.280 4.158 4.402 . 0 0 "[ . 1]" 1
1331 1 50 THR HB 1 59 TYR H 4.800 . 6.000 3.790 3.326 4.345 . 0 0 "[ . 1]" 1
1332 1 50 THR HB 1 59 TYR HB2 3.600 . 5.300 2.839 2.282 3.894 . 0 0 "[ . 1]" 1
1333 1 50 THR HB 1 59 TYR HB3 3.500 . 5.000 4.509 3.847 5.650 0.650 2 1 "[ + . 1]" 1
1334 1 50 THR MG 1 51 ILE H 3.200 . 4.500 2.526 2.244 2.993 . 0 0 "[ . 1]" 1
1335 1 50 THR MG 1 51 ILE HA 4.200 . 6.000 3.120 2.951 3.207 . 0 0 "[ . 1]" 1
1336 1 50 THR MG 1 52 ASN H 5.000 . 6.000 4.019 3.890 4.211 . 0 0 "[ . 1]" 1
1337 1 50 THR MG 1 52 ASN QB 4.600 . 6.000 3.880 3.393 4.573 . 0 0 "[ . 1]" 1
1338 1 50 THR MG 1 59 TYR HB2 3.900 . 5.800 3.006 2.064 3.892 . 0 0 "[ . 1]" 1
1339 1 50 THR MG 1 59 TYR HB3 3.300 . 4.700 4.411 3.637 5.305 0.605 2 1 "[ + . 1]" 1
1340 1 51 ILE H 1 52 ASN H 4.700 . 6.000 4.456 4.369 4.489 . 0 0 "[ . 1]" 1
1341 1 51 ILE H 1 59 TYR H 4.900 . 6.000 5.266 5.051 5.681 . 0 0 "[ . 1]" 1
1342 1 51 ILE HA 1 52 ASN H 2.200 . 2.800 2.219 2.192 2.279 . 0 0 "[ . 1]" 1
1343 1 51 ILE HA 1 52 ASN QB 5.400 . 6.000 4.162 3.993 4.752 . 0 0 "[ . 1]" 1
1344 1 51 ILE HA 1 56 GLY QA 6.000 . 6.000 4.751 4.405 5.012 . 0 0 "[ . 1]" 1
1345 1 51 ILE HA 1 70 ILE MG 3.900 . 5.800 3.090 2.758 3.254 . 0 0 "[ . 1]" 1
1346 1 51 ILE HA 1 58 THR MG 2.800 . 3.800 2.520 2.203 2.804 . 0 0 "[ . 1]" 1
1347 1 51 ILE HA 1 59 TYR H 4.200 . 6.000 3.902 3.727 4.181 . 0 0 "[ . 1]" 1
1348 1 51 ILE HB 1 52 ASN H 2.900 . 3.900 2.071 1.977 2.237 . 0 0 "[ . 1]" 1
1349 1 51 ILE HB 1 56 GLY QA 5.100 . 6.000 4.357 3.842 4.911 . 0 0 "[ . 1]" 1
1350 1 51 ILE HB 1 58 THR HA 4.100 . 6.000 4.032 3.879 4.196 . 0 0 "[ . 1]" 1
1351 1 51 ILE HB 1 58 THR HB 5.400 . 6.000 5.385 5.337 5.438 . 0 0 "[ . 1]" 1
1352 1 51 ILE HB 1 58 THR MG 3.100 . 4.300 2.762 2.719 2.841 . 0 0 "[ . 1]" 1
1353 1 51 ILE HB 1 59 TYR H 4.200 . 6.000 5.087 4.894 5.240 . 0 0 "[ . 1]" 1
1354 1 51 ILE HB 1 70 ILE H 5.800 . 6.000 5.569 5.332 5.894 . 0 0 "[ . 1]" 1
1355 1 51 ILE HB 1 70 ILE MD 2.700 . 3.600 1.987 1.577 2.960 0.223 9 0 "[ . 1]" 1
1356 1 51 ILE HB 1 70 ILE MG 3.000 . 4.100 2.294 1.677 2.990 0.223 4 0 "[ . 1]" 1
1357 1 51 ILE HB 1 71 SER H 4.300 . 6.000 4.577 4.230 4.885 . 0 0 "[ . 1]" 1
1358 1 51 ILE HB 1 52 ASN H 4.700 . 6.000 4.053 4.002 4.141 . 0 0 "[ . 1]" 1
1359 1 51 ILE HB 1 58 THR HB 4.400 . 6.000 6.082 5.957 6.326 0.326 8 0 "[ . 1]" 1
1360 1 51 ILE HB 1 58 THR MG 3.000 . 4.100 3.210 3.155 3.248 . 0 0 "[ . 1]" 1
1361 1 51 ILE MD 1 52 ASN H 4.600 . 6.000 3.521 3.362 3.650 . 0 0 "[ . 1]" 1
1362 1 51 ILE MD 1 56 GLY QA 3.800 . 5.600 4.224 3.737 5.020 . 0 0 "[ . 1]" 1
1363 1 51 ILE MD 1 58 THR HB 3.500 . 5.000 3.675 3.339 4.055 . 0 0 "[ . 1]" 1
1364 1 51 ILE MD 1 58 THR MG 2.900 . 4.000 2.712 2.540 3.036 . 0 0 "[ . 1]" 1
1365 1 51 ILE MD 1 58 THR MG 2.300 . 3.000 2.637 2.495 2.836 . 0 0 "[ . 1]" 1
1366 1 51 ILE MD 1 70 ILE H 5.200 . 6.000 5.001 4.651 5.385 . 0 0 "[ . 1]" 1
1367 1 51 ILE MD 1 70 ILE HA 5.100 . 6.000 4.446 4.225 4.655 . 0 0 "[ . 1]" 1
1368 1 51 ILE MD 1 70 ILE HB 3.100 . 4.300 3.960 2.576 4.543 0.243 1 0 "[ . 1]" 1
1369 1 51 ILE MD 1 70 ILE HG13 4.900 . 6.000 5.057 3.263 5.618 . 0 0 "[ . 1]" 1
1370 1 51 ILE MD 1 71 SER H 3.200 . 4.500 3.325 3.002 3.673 . 0 0 "[ . 1]" 1
1371 1 51 ILE MD 1 71 SER QB 4.800 . 6.000 3.753 3.374 4.169 . 0 0 "[ . 1]" 1
1372 1 51 ILE MD 1 72 ARG H 3.400 . 4.900 3.123 2.853 3.450 . 0 0 "[ . 1]" 1
1373 1 51 ILE MD 1 72 ARG HD2 3.300 . 4.700 4.874 4.081 5.432 0.732 3 3 "[ +-. *]" 1
1374 1 51 ILE MD 1 72 ARG HD3 3.200 . 4.500 3.752 2.744 4.319 . 0 0 "[ . 1]" 1
1375 1 51 ILE MD 1 72 ARG HG2 4.000 . 6.000 3.576 2.250 5.135 . 0 0 "[ . 1]" 1
1376 1 51 ILE MD 1 72 ARG HG3 3.600 . 5.200 3.218 2.368 3.912 . 0 0 "[ . 1]" 1
1377 1 51 ILE HG12 1 58 THR HA 3.100 . 4.300 3.913 3.737 4.078 . 0 0 "[ . 1]" 1
1378 1 51 ILE HG12 1 58 THR MG 2.000 . 2.500 2.092 1.912 2.307 . 0 0 "[ . 1]" 1
1379 1 51 ILE HG12 1 59 TYR H 3.300 . 4.600 3.827 3.655 4.062 . 0 0 "[ . 1]" 1
1380 1 51 ILE HG12 1 52 ASN H 3.800 . 5.600 3.178 2.865 3.514 . 0 0 "[ . 1]" 1
1381 1 51 ILE HG12 1 56 GLY QA 4.300 . 6.000 4.942 4.648 5.356 . 0 0 "[ . 1]" 1
1382 1 51 ILE HG12 1 56 GLY QA 4.300 . 6.000 4.976 4.645 5.487 . 0 0 "[ . 1]" 1
1383 1 51 ILE HG12 1 58 THR HB 3.000 . 4.100 3.786 3.623 3.993 . 0 0 "[ . 1]" 1
1384 1 51 ILE MG 1 52 ASN H 4.900 . 6.000 3.636 3.477 3.718 . 0 0 "[ . 1]" 1
1385 1 51 ILE MG 1 52 ASN QB 3.300 . 4.700 3.293 2.248 3.868 . 0 0 "[ . 1]" 1
1386 1 51 ILE MG 1 70 ILE HG12 2.700 . 3.600 3.499 2.939 4.360 0.760 3 1 "[ + . 1]" 1
1387 1 51 ILE MG 1 70 ILE HG13 4.600 . 6.000 4.265 3.295 4.809 . 0 0 "[ . 1]" 1
1388 1 51 ILE MG 1 72 ARG H 3.900 . 5.800 3.893 3.482 4.109 . 0 0 "[ . 1]" 1
1389 1 51 ILE MG 1 72 ARG HB2 2.800 . 3.800 2.942 1.788 3.745 0.012 10 0 "[ . 1]" 1
1390 1 51 ILE MG 1 72 ARG HD2 2.900 . 4.000 3.415 2.252 4.071 0.071 4 0 "[ . 1]" 1
1391 1 51 ILE MG 1 72 ARG HD3 3.100 . 4.300 2.263 2.069 2.810 . 0 0 "[ . 1]" 1
1392 1 51 ILE MG 1 72 ARG HG2 4.200 . 6.000 2.981 1.863 3.759 0.137 1 0 "[ . 1]" 1
1393 1 51 ILE MG 1 73 ASP H 6.000 . 6.000 4.594 4.361 4.982 . 0 0 "[ . 1]" 1
1394 1 51 ILE MG 1 79 LEU QD 3.500 . 5.000 2.498 2.079 2.856 . 0 0 "[ . 1]" 1
1395 1 52 ASN H 1 58 THR HA 3.900 . 5.800 3.687 3.230 4.265 . 0 0 "[ . 1]" 1
1396 1 52 ASN H 1 58 THR HB 4.300 . 6.000 6.165 5.526 6.652 0.652 2 2 "[ + - 1]" 1
1397 1 52 ASN H 1 58 THR MG 2.800 . 3.800 3.592 3.034 3.905 0.105 4 0 "[ . 1]" 1
1398 1 52 ASN H 1 59 TYR QE 5.100 . 6.000 3.828 3.369 4.221 . 0 0 "[ . 1]" 1
1399 1 52 ASN H 1 70 ILE MD 3.700 . 5.400 4.951 4.789 5.309 . 0 0 "[ . 1]" 1
1400 1 52 ASN QB 1 54 GLY QA 4.500 . 5.800 2.931 2.050 3.600 . 0 0 "[ . 1]" 1
1401 1 52 ASN QB 1 57 SER H 3.100 . 4.300 3.004 2.397 4.268 . 0 0 "[ . 1]" 1
1402 1 52 ASN QB 1 56 GLY H 3.700 . 5.400 3.528 2.269 4.068 . 0 0 "[ . 1]" 1
1403 1 52 ASN QB 1 57 SER H 3.100 . 4.300 3.484 2.398 4.285 . 0 0 "[ . 1]" 1
1404 1 52 ASN HD21 1 54 GLY QA 3.900 . 5.800 5.096 3.530 6.611 0.811 8 1 "[ . + 1]" 1
1405 1 52 ASN HD22 1 54 GLY QA 3.900 . 5.800 3.608 2.065 4.180 . 0 0 "[ . 1]" 1
1406 1 52 ASN HD22 1 57 SER H 5.200 . 6.000 4.548 1.376 5.918 0.524 4 1 "[ +. 1]" 1
1407 1 53 PRO HA 1 55 ASP H 3.300 . 4.700 3.386 2.947 3.720 . 0 0 "[ . 1]" 1
1408 1 53 PRO HA 1 56 GLY QA 3.000 . 4.100 5.487 4.165 6.951 2.851 8 6 "[-* ** *+ 1]" 1
1409 1 53 PRO QB 1 54 GLY H 4.500 . 6.000 2.635 1.551 3.389 0.449 5 0 "[ . 1]" 1
1410 1 53 PRO HB2 1 55 ASP H 3.500 . 5.000 3.901 3.210 4.194 . 0 0 "[ . 1]" 1
1411 1 53 PRO HB3 1 54 GLY QA 4.400 . 6.000 4.798 4.359 5.064 . 0 0 "[ . 1]" 1
1412 1 54 GLY H 1 55 ASP H 2.600 . 3.400 2.370 2.051 2.682 . 0 0 "[ . 1]" 1
1413 1 54 GLY H 1 56 GLY H 3.400 . 4.900 2.469 1.821 3.910 0.079 1 0 "[ . 1]" 1
1414 1 54 GLY QA 1 55 ASP H 5.700 . 6.000 2.592 2.163 2.925 . 0 0 "[ . 1]" 1
1415 1 55 ASP H 1 57 SER H 3.900 . 5.800 4.191 3.967 4.511 . 0 0 "[ . 1]" 1
1416 1 55 ASP HB2 1 56 GLY H 3.900 . 5.800 3.256 2.035 4.656 . 0 0 "[ . 1]" 1
1417 1 56 GLY H 1 57 SER H 3.400 . 4.800 2.498 1.822 4.082 0.178 1 0 "[ . 1]" 1
1418 1 56 GLY H 1 57 SER HA 4.700 . 6.000 4.850 4.497 5.443 . 0 0 "[ . 1]" 1
1419 1 56 GLY H 1 58 THR MG 6.000 . 6.000 5.790 4.901 6.150 0.150 3 0 "[ . 1]" 1
1420 1 56 GLY QA 1 57 SER H 3.200 . 4.500 2.686 2.127 2.921 . 0 0 "[ . 1]" 1
1421 1 57 SER H 1 58 THR H 3.600 . 5.200 4.562 4.430 4.647 . 0 0 "[ . 1]" 1
1422 1 57 SER H 1 58 THR MG 4.100 . 6.000 5.524 5.231 5.644 . 0 0 "[ . 1]" 1
1423 1 57 SER HA 1 58 THR H 2.300 . 3.000 2.321 2.141 2.778 . 0 0 "[ . 1]" 1
1424 1 57 SER HA 1 58 THR MG 4.400 . 6.000 4.694 4.393 4.902 . 0 0 "[ . 1]" 1
1425 1 57 SER QB 1 58 THR H 3.600 . 5.200 2.919 1.960 3.803 0.040 2 0 "[ . 1]" 1
1426 1 58 THR H 1 59 TYR H 5.400 . 6.000 4.411 4.249 4.530 . 0 0 "[ . 1]" 1
1427 1 58 THR H 1 60 TYR QE 5.000 . 6.000 5.362 5.089 5.678 . 0 0 "[ . 1]" 1
1428 1 58 THR HA 1 59 TYR H 2.400 . 3.100 2.230 2.172 2.320 . 0 0 "[ . 1]" 1
1429 1 58 THR HA 1 59 TYR HB3 5.400 . 6.000 5.569 5.474 5.611 . 0 0 "[ . 1]" 1
1430 1 58 THR HA 1 60 TYR QD 4.300 . 6.000 4.995 4.892 5.146 . 0 0 "[ . 1]" 1
1431 1 58 THR HA 1 70 ILE HB 5.500 . 6.000 4.371 4.107 4.667 . 0 0 "[ . 1]" 1
1432 1 58 THR HA 1 70 ILE MD 3.400 . 4.900 4.957 4.749 5.368 0.468 8 0 "[ . 1]" 1
1433 1 58 THR HB 1 59 TYR H 3.100 . 4.300 3.114 2.777 3.397 . 0 0 "[ . 1]" 1
1434 1 58 THR HB 1 60 TYR QE 3.600 . 5.200 1.986 1.838 2.339 0.162 10 0 "[ . 1]" 1
1435 1 58 THR MG 1 59 TYR H 3.800 . 5.600 2.835 2.641 3.057 . 0 0 "[ . 1]" 1
1436 1 58 THR MG 1 60 TYR QE 4.300 . 6.000 2.476 2.195 2.686 . 0 0 "[ . 1]" 1
1437 1 58 THR MG 1 70 ILE H 5.300 . 6.000 3.948 3.680 4.259 . 0 0 "[ . 1]" 1
1438 1 58 THR MG 1 70 ILE HB 4.300 . 6.000 4.298 3.887 4.735 . 0 0 "[ . 1]" 1
1439 1 58 THR MG 1 70 ILE HG13 5.500 . 6.000 5.326 4.588 5.593 . 0 0 "[ . 1]" 1
1440 1 59 TYR H 1 60 TYR H 4.200 . 6.000 4.305 4.179 4.379 . 0 0 "[ . 1]" 1
1441 1 59 TYR H 1 65 LYS QB 4.400 . 6.000 5.444 5.179 5.599 . 0 0 "[ . 1]" 1
1442 1 59 TYR H 1 70 ILE MG 4.600 . 6.000 4.079 3.867 4.376 . 0 0 "[ . 1]" 1
1443 1 59 TYR HA 1 60 TYR H 2.700 . 3.600 2.181 2.147 2.230 . 0 0 "[ . 1]" 1
1444 1 59 TYR HA 1 60 TYR QD 3.600 . 5.200 3.090 2.939 3.297 . 0 0 "[ . 1]" 1
1445 1 59 TYR HB3 1 60 TYR H 3.600 . 5.200 3.260 3.036 3.464 . 0 0 "[ . 1]" 1
1446 1 60 TYR H 1 61 ALA H 4.100 . 6.000 4.464 4.437 4.488 . 0 0 "[ . 1]" 1
1447 1 60 TYR H 1 65 LYS HA 5.600 . 6.000 5.313 4.563 5.904 . 0 0 "[ . 1]" 1
1448 1 60 TYR HB2 1 61 ALA H 3.700 . 5.400 3.609 3.382 3.817 . 0 0 "[ . 1]" 1
1449 1 60 TYR HB2 1 61 ALA MB 3.100 . 4.300 3.093 1.692 3.860 0.208 8 0 "[ . 1]" 1
1450 1 60 TYR HB2 1 64 VAL H 4.200 . 6.000 3.576 3.093 4.019 . 0 0 "[ . 1]" 1
1451 1 60 TYR HB2 1 64 VAL HB 3.400 . 4.900 2.958 2.266 3.289 . 0 0 "[ . 1]" 1
1452 1 60 TYR HB2 1 64 VAL QG 3.400 . 4.800 3.400 3.299 3.553 . 0 0 "[ . 1]" 1
1453 1 60 TYR HB2 1 64 VAL QG 3.100 . 4.300 2.999 2.849 3.140 . 0 0 "[ . 1]" 1
1454 1 60 TYR HB2 1 65 LYS H 3.900 . 5.800 3.789 3.219 4.461 . 0 0 "[ . 1]" 1
1455 1 60 TYR HB2 1 65 LYS HA 3.800 . 5.600 3.065 2.451 3.684 . 0 0 "[ . 1]" 1
1456 1 60 TYR HB2 1 65 LYS HA 3.400 . 4.900 3.044 2.449 3.647 . 0 0 "[ . 1]" 1
1457 1 60 TYR HB2 1 65 LYS QB 2.900 . 3.900 1.858 1.590 2.308 0.310 6 0 "[ . 1]" 1
1458 1 60 TYR HB3 1 61 ALA H 3.100 . 4.300 2.295 2.032 2.530 . 0 0 "[ . 1]" 1
1459 1 60 TYR HB3 1 61 ALA MB 3.500 . 5.000 3.377 2.439 3.891 . 0 0 "[ . 1]" 1
1460 1 60 TYR HB3 1 64 VAL H 4.400 . 6.000 2.972 2.731 3.325 . 0 0 "[ . 1]" 1
1461 1 60 TYR HB3 1 64 VAL QG 4.200 . 6.000 1.906 1.708 2.207 0.292 10 0 "[ . 1]" 1
1462 1 60 TYR HB3 1 65 LYS H 3.500 . 5.000 3.283 2.997 3.840 . 0 0 "[ . 1]" 1
1463 1 60 TYR HB3 1 65 LYS HA 3.800 . 5.600 3.196 2.742 3.587 . 0 0 "[ . 1]" 1
1464 1 60 TYR HB3 1 65 LYS QB 3.400 . 4.800 3.541 2.799 4.361 . 0 0 "[ . 1]" 1
1465 1 60 TYR HB3 1 65 LYS QB 3.200 . 4.500 3.010 2.650 3.426 . 0 0 "[ . 1]" 1
1466 1 60 TYR QD 1 64 VAL QG 3.200 . 4.100 2.151 1.871 2.455 0.029 7 0 "[ . 1]" 1
1467 1 60 TYR QD 1 65 LYS HA 3.800 . 5.600 2.922 2.662 3.320 . 0 0 "[ . 1]" 1
1468 1 60 TYR QD 1 65 LYS QE 3.900 . 5.800 3.573 3.094 4.277 . 0 0 "[ . 1]" 1
1469 1 60 TYR QE 1 64 VAL HA 3.900 . 5.800 3.764 3.262 4.123 . 0 0 "[ . 1]" 1
1470 1 60 TYR QE 1 64 VAL QG 3.500 . 5.000 3.481 3.190 3.718 . 0 0 "[ . 1]" 1
1471 1 60 TYR QE 1 64 VAL QG 5.500 . 6.000 3.360 3.127 3.570 . 0 0 "[ . 1]" 1
1472 1 60 TYR QE 1 65 LYS H 4.500 . 6.000 5.114 4.129 5.529 . 0 0 "[ . 1]" 1
1473 1 60 TYR QE 1 69 THR HA 3.400 . 4.900 3.160 2.763 3.659 . 0 0 "[ . 1]" 1
1474 1 60 TYR QE 1 70 ILE H 3.300 . 4.700 3.323 2.820 3.789 . 0 0 "[ . 1]" 1
1475 1 60 TYR QE 1 70 ILE HB 5.100 . 6.000 3.801 2.810 4.301 . 0 0 "[ . 1]" 1
1476 1 60 TYR QE 1 70 ILE MG 3.400 . 4.900 3.030 2.795 3.381 . 0 0 "[ . 1]" 1
1477 1 61 ALA H 1 64 VAL QG 2.900 . 4.000 1.966 1.861 2.191 0.139 10 0 "[ . 1]" 1
1478 1 61 ALA H 1 64 VAL QG 3.400 . 4.800 1.963 1.858 2.187 0.142 10 0 "[ . 1]" 1
1479 1 61 ALA H 1 65 LYS QB 3.900 . 5.800 4.660 4.340 5.124 . 0 0 "[ . 1]" 1
1480 1 61 ALA HA 1 62 ASP H 2.900 . 4.000 3.111 3.037 3.163 . 0 0 "[ . 1]" 1
1481 1 61 ALA HA 1 62 ASP QB 4.300 . 6.000 3.966 3.772 4.384 . 0 0 "[ . 1]" 1
1482 1 61 ALA MB 1 62 ASP H 4.200 . 6.000 3.489 3.445 3.548 . 0 0 "[ . 1]" 1
1483 1 61 ALA MB 1 62 ASP H 3.700 . 5.500 3.239 2.727 3.509 . 0 0 "[ . 1]" 1
1484 1 61 ALA MB 1 62 ASP HA 3.400 . 4.800 3.692 2.463 4.342 . 0 0 "[ . 1]" 1
1485 1 61 ALA MB 1 62 ASP QB 4.300 . 6.000 4.027 3.921 4.163 . 0 0 "[ . 1]" 1
1486 1 61 ALA MB 1 63 SER H 4.200 . 6.000 2.836 2.596 3.303 . 0 0 "[ . 1]" 1
1487 1 61 ALA MB 1 63 SER HB3 4.900 . 6.000 4.345 3.360 4.931 . 0 0 "[ . 1]" 1
1488 1 61 ALA MB 1 64 VAL QG 3.800 . 5.700 2.054 1.946 2.436 . 0 0 "[ . 1]" 1
1489 1 61 ALA MB 1 64 VAL QG 2.900 . 4.000 2.009 1.914 2.333 . 0 0 "[ . 1]" 1
1490 1 62 ASP H 1 65 LYS QG 4.000 . 6.000 3.113 2.299 3.942 . 0 0 "[ . 1]" 1
1491 1 62 ASP HA 1 64 VAL H 3.500 . 5.000 3.220 3.057 3.323 . 0 0 "[ . 1]" 1
1492 1 62 ASP HA 1 65 LYS H 3.300 . 4.700 3.566 3.344 3.762 . 0 0 "[ . 1]" 1
1493 1 62 ASP HA 1 65 LYS HA 4.600 . 6.000 4.230 4.154 4.314 . 0 0 "[ . 1]" 1
1494 1 62 ASP HA 1 65 LYS QB 2.800 . 3.700 2.897 2.589 3.212 . 0 0 "[ . 1]" 1
1495 1 62 ASP HA 1 65 LYS QD 3.300 . 4.600 4.356 3.959 4.506 . 0 0 "[ . 1]" 1
1496 1 62 ASP HA 1 65 LYS QE 4.100 . 6.000 4.778 3.745 5.318 . 0 0 "[ . 1]" 1
1497 1 62 ASP QB 1 63 SER H 4.500 . 6.000 2.684 2.233 3.212 . 0 0 "[ . 1]" 1
1498 1 62 ASP QB 1 63 SER HA 3.400 . 4.900 3.975 3.810 4.124 . 0 0 "[ . 1]" 1
1499 1 62 ASP QB 1 64 VAL H 4.800 . 6.000 4.111 3.955 4.320 . 0 0 "[ . 1]" 1
1500 1 62 ASP QB 1 65 LYS H 4.200 . 6.000 4.984 4.731 5.127 . 0 0 "[ . 1]" 1
1501 1 62 ASP QB 1 65 LYS QB 3.300 . 4.700 4.682 4.242 4.947 0.247 4 0 "[ . 1]" 1
1502 1 62 ASP QB 1 65 LYS QB 3.900 . 5.800 4.515 4.149 4.731 . 0 0 "[ . 1]" 1
1503 1 62 ASP QB 1 65 LYS QD 3.500 . 5.000 5.956 5.639 6.073 1.073 3 10 [-*+*******] 1
1504 1 62 ASP QB 1 65 LYS QG 3.500 . 5.000 5.600 4.271 6.396 1.396 9 6 "[** -* +*]" 1
1505 1 63 SER HA 1 64 VAL H 4.000 . 6.000 3.039 2.854 3.180 . 0 0 "[ . 1]" 1
1506 1 63 SER HA 1 65 LYS H 3.400 . 4.900 3.130 2.987 3.205 . 0 0 "[ . 1]" 1
1507 1 63 SER HA 1 64 VAL QG 4.800 . 6.000 4.056 3.933 4.157 . 0 0 "[ . 1]" 1
1508 1 63 SER QB 1 64 VAL H 3.500 . 5.100 3.584 3.306 3.792 . 0 0 "[ . 1]" 1
1509 1 63 SER QB 1 65 LYS H 3.800 . 5.600 4.996 4.819 5.129 . 0 0 "[ . 1]" 1
1510 1 63 SER HB3 1 64 VAL H 5.700 . 6.000 4.060 3.655 4.396 . 0 0 "[ . 1]" 1
1511 1 63 SER HB3 1 64 VAL QG 4.700 . 6.000 3.563 2.991 4.397 . 0 0 "[ . 1]" 1
1512 1 64 VAL H 1 65 LYS HA 5.200 . 6.000 4.294 4.184 4.455 . 0 0 "[ . 1]" 1
1513 1 64 VAL H 1 65 LYS QB 3.800 . 5.600 3.592 3.400 3.892 . 0 0 "[ . 1]" 1
1514 1 64 VAL H 1 65 LYS QG 3.700 . 5.400 4.984 3.625 5.667 0.267 7 0 "[ . 1]" 1
1515 1 64 VAL HA 1 87 LYS HE2 3.500 . 5.000 4.901 3.845 5.562 0.562 3 1 "[ + . 1]" 1
1516 1 64 VAL HA 1 67 ARG H 3.800 . 5.600 3.586 2.666 4.132 . 0 0 "[ . 1]" 1
1517 1 64 VAL HA 1 67 ARG QB 3.900 . 5.800 2.107 1.704 2.512 0.296 6 0 "[ . 1]" 1
1518 1 64 VAL HA 1 67 ARG QB 4.600 . 6.000 2.110 1.705 2.525 0.195 6 0 "[ . 1]" 1
1519 1 64 VAL HA 1 67 ARG QB 3.600 . 5.200 2.343 1.705 3.808 0.295 6 0 "[ . 1]" 1
1520 1 64 VAL HA 1 67 ARG QD 3.800 . 5.600 3.927 1.999 4.694 0.001 7 0 "[ . 1]" 1
1521 1 64 VAL HA 1 67 ARG HE 3.600 . 5.200 3.660 3.229 4.118 . 0 0 "[ . 1]" 1
1522 1 64 VAL HA 1 67 ARG QG 4.100 . 6.000 3.014 1.792 3.526 0.208 4 0 "[ . 1]" 1
1523 1 64 VAL HA 1 67 ARG HG2 5.300 . 6.000 3.142 2.257 3.583 . 0 0 "[ . 1]" 1
1524 1 64 VAL HA 1 68 PHE H 4.200 . 6.000 3.519 2.798 3.942 . 0 0 "[ . 1]" 1
1525 1 64 VAL HA 1 68 PHE QB 4.300 . 6.000 4.685 3.766 5.109 . 0 0 "[ . 1]" 1
1526 1 64 VAL HB 1 65 LYS H 4.100 . 6.000 4.127 3.951 4.381 . 0 0 "[ . 1]" 1
1527 1 64 VAL HB 1 65 LYS HA 4.600 . 6.000 4.543 4.409 4.764 . 0 0 "[ . 1]" 1
1528 1 64 VAL HB 1 67 ARG H 4.500 . 6.000 4.443 4.065 5.090 . 0 0 "[ . 1]" 1
1529 1 64 VAL HB 1 68 PHE H 3.500 . 5.000 3.207 2.796 3.471 . 0 0 "[ . 1]" 1
1530 1 64 VAL HB 1 68 PHE HA 3.900 . 5.800 4.496 4.263 4.683 . 0 0 "[ . 1]" 1
1531 1 64 VAL HB 1 68 PHE QB 2.800 . 3.800 2.937 2.265 3.256 . 0 0 "[ . 1]" 1
1532 1 64 VAL HB 1 68 PHE QB 2.700 . 3.600 2.952 2.266 3.274 . 0 0 "[ . 1]" 1
1533 1 64 VAL HB 1 68 PHE QR 4.000 . 6.000 3.038 2.143 3.703 . 0 0 "[ . 1]" 1
1534 1 64 VAL QG 1 65 LYS H 3.600 . 5.100 2.863 2.660 3.056 . 0 0 "[ . 1]" 1
1535 1 64 VAL QG 1 65 LYS HA 4.200 . 6.000 3.729 3.557 3.924 . 0 0 "[ . 1]" 1
1536 1 64 VAL QG 1 65 LYS QB 4.200 . 6.000 3.688 3.432 3.899 . 0 0 "[ . 1]" 1
1537 1 64 VAL QG 1 65 LYS QB 4.200 . 6.000 3.681 3.428 3.891 . 0 0 "[ . 1]" 1
1538 1 64 VAL QG 1 65 LYS QG 3.400 . 4.800 2.947 2.569 3.422 . 0 0 "[ . 1]" 1
1539 1 64 VAL QG 1 67 ARG H 4.700 . 6.000 4.413 3.952 4.861 . 0 0 "[ . 1]" 1
1540 1 64 VAL QG 1 67 ARG QB 4.800 . 6.000 3.059 2.334 4.290 . 0 0 "[ . 1]" 1
1541 1 64 VAL QG 1 67 ARG QB 4.000 . 6.000 3.065 2.334 4.327 . 0 0 "[ . 1]" 1
1542 1 64 VAL QG 1 67 ARG HE 4.200 . 6.000 4.020 3.345 5.237 . 0 0 "[ . 1]" 1
1543 1 64 VAL QG 1 67 ARG HG2 3.800 . 5.600 3.246 2.618 3.840 . 0 0 "[ . 1]" 1
1544 1 64 VAL QG 1 68 PHE H 4.000 . 6.000 3.720 3.187 4.022 . 0 0 "[ . 1]" 1
1545 1 64 VAL QG 1 68 PHE H 4.100 . 6.000 3.538 3.114 3.826 . 0 0 "[ . 1]" 1
1546 1 64 VAL QG 1 68 PHE HA 6.000 . 6.000 5.271 4.961 5.573 . 0 0 "[ . 1]" 1
1547 1 64 VAL QG 1 68 PHE HA 5.400 . 6.000 3.364 2.540 3.598 . 0 0 "[ . 1]" 1
1548 1 64 VAL QG 1 68 PHE QB 3.100 . 4.300 3.365 3.095 3.650 . 0 0 "[ . 1]" 1
1549 1 64 VAL QG 1 68 PHE QR 3.000 . 4.200 2.383 1.785 2.886 0.015 1 0 "[ . 1]" 1
1550 1 64 VAL QG 1 84 ASN H 3.900 . 5.800 4.599 4.104 4.975 . 0 0 "[ . 1]" 1
1551 1 65 LYS H 1 67 ARG QB 4.300 . 6.000 4.450 4.113 5.461 . 0 0 "[ . 1]" 1
1552 1 65 LYS HA 1 66 GLY H 3.700 . 5.400 2.854 2.136 3.571 . 0 0 "[ . 1]" 1
1553 1 65 LYS HA 1 67 ARG H 3.200 . 4.500 3.657 3.119 4.131 . 0 0 "[ . 1]" 1
1554 1 65 LYS QB 1 66 GLY HA3 3.400 . 4.900 4.097 3.907 4.414 . 0 0 "[ . 1]" 1
1555 1 65 LYS QB 1 66 GLY H 3.800 . 5.600 2.996 2.194 3.806 . 0 0 "[ . 1]" 1
1556 1 65 LYS QB 1 66 GLY HA2 4.000 . 6.000 4.549 3.803 5.213 . 0 0 "[ . 1]" 1
1557 1 65 LYS HE2 1 66 GLY HA2 3.700 . 5.400 5.038 4.351 5.824 0.424 7 0 "[ . 1]" 1
1558 1 65 LYS HE2 1 66 GLY HA3 3.600 . 5.200 5.057 3.854 5.862 0.662 2 2 "[ + . - 1]" 1
1559 1 65 LYS QG 1 66 GLY H 3.900 . 5.800 3.588 2.301 4.483 . 0 0 "[ . 1]" 1
1560 1 66 GLY H 1 67 ARG H 4.300 . 6.000 2.691 2.102 3.126 . 0 0 "[ . 1]" 1
1561 1 66 GLY H 1 67 ARG QB 5.500 . 6.000 4.337 3.651 5.218 . 0 0 "[ . 1]" 1
1562 1 66 GLY HA2 1 67 ARG H 3.400 . 4.800 3.196 2.849 3.463 . 0 0 "[ . 1]" 1
1563 1 66 GLY HA3 1 67 ARG H 3.900 . 5.800 3.256 2.939 3.519 . 0 0 "[ . 1]" 1
1564 1 66 GLY HA3 1 67 ARG H 3.400 . 4.800 2.787 2.101 3.077 . 0 0 "[ . 1]" 1
1565 1 66 GLY HA3 1 67 ARG QD 4.600 . 6.000 5.445 3.272 6.068 0.068 1 0 "[ . 1]" 1
1566 1 67 ARG H 1 68 PHE H 2.900 . 3.900 2.468 2.197 2.785 . 0 0 "[ . 1]" 1
1567 1 67 ARG H 1 68 PHE H 2.800 . 3.800 2.461 2.194 2.770 . 0 0 "[ . 1]" 1
1568 1 67 ARG H 1 68 PHE HA 4.700 . 6.000 4.912 4.530 5.238 . 0 0 "[ . 1]" 1
1569 1 67 ARG H 1 68 PHE HA 3.600 . 5.200 2.764 2.567 3.140 . 0 0 "[ . 1]" 1
1570 1 67 ARG H 1 68 PHE QB 3.600 . 5.200 4.711 4.362 5.110 . 0 0 "[ . 1]" 1
1571 1 67 ARG QB 1 68 PHE H 3.900 . 5.800 2.219 1.909 3.003 0.091 9 0 "[ . 1]" 1
1572 1 67 ARG QB 1 68 PHE QB 5.000 . 6.000 3.758 3.508 4.247 . 0 0 "[ . 1]" 1
1573 1 67 ARG QB 1 68 PHE QR 3.900 . 5.800 3.103 2.308 3.526 . 0 0 "[ . 1]" 1
1574 1 67 ARG QB 1 84 ASN HB2 5.100 . 6.000 6.034 4.962 6.580 0.580 3 1 "[ + . 1]" 1
1575 1 67 ARG QB 1 85 SER HA 4.600 . 6.000 3.905 2.505 4.694 . 0 0 "[ . 1]" 1
1576 1 67 ARG QB 1 85 SER QB 4.200 . 6.000 3.937 2.512 4.747 . 0 0 "[ . 1]" 1
1577 1 67 ARG QB 1 85 SER QB 5.000 . 6.000 3.891 2.511 4.629 . 0 0 "[ . 1]" 1
1578 1 67 ARG QB 1 85 SER QB 3.700 . 5.400 3.507 2.246 4.205 . 0 0 "[ . 1]" 1
1579 1 67 ARG QD 1 68 PHE HB2 3.100 . 4.300 2.912 2.249 3.514 . 0 0 "[ . 1]" 1
1580 1 67 ARG QD 1 68 PHE H 4.700 . 6.000 4.663 4.112 4.888 . 0 0 "[ . 1]" 1
1581 1 67 ARG QD 1 68 PHE QR 4.100 . 6.000 4.059 3.347 5.097 . 0 0 "[ . 1]" 1
1582 1 67 ARG QD 1 85 SER QB 3.100 . 4.300 2.762 2.011 4.191 . 0 0 "[ . 1]" 1
1583 1 67 ARG QD 1 86 LEU HA 3.800 . 5.600 4.506 3.302 6.001 0.401 6 0 "[ . 1]" 1
1584 1 67 ARG HE 1 85 SER QB 5.000 . 6.000 4.846 4.167 5.663 . 0 0 "[ . 1]" 1
1585 1 67 ARG QG 1 85 SER QB 3.900 . 5.800 3.566 2.633 4.381 . 0 0 "[ . 1]" 1
1586 1 67 ARG HG2 1 68 PHE H 3.500 . 5.000 3.658 2.174 4.551 . 0 0 "[ . 1]" 1
1587 1 67 ARG HG2 1 68 PHE QR 4.100 . 6.000 3.346 2.739 4.470 . 0 0 "[ . 1]" 1
1588 1 67 ARG HG2 1 85 SER HA 5.500 . 6.000 5.828 5.661 6.010 0.010 4 0 "[ . 1]" 1
1589 1 67 ARG HG2 1 85 SER QB 4.400 . 6.000 4.703 3.976 5.100 . 0 0 "[ . 1]" 1
1590 1 67 ARG HG3 1 68 PHE HA 4.700 . 6.000 4.262 3.763 5.177 . 0 0 "[ . 1]" 1
1591 1 67 ARG HG3 1 68 PHE QR 5.300 . 6.000 3.151 2.405 4.204 . 0 0 "[ . 1]" 1
1592 1 67 ARG HG3 1 85 SER HA 3.300 . 4.600 3.724 2.660 4.914 0.314 4 0 "[ . 1]" 1
1593 1 67 ARG HG3 1 85 SER QB 3.200 . 4.500 3.754 2.671 4.963 0.463 4 0 "[ . 1]" 1
1594 1 68 PHE H 1 69 THR H 4.300 . 6.000 4.504 4.409 4.541 . 0 0 "[ . 1]" 1
1595 1 68 PHE H 1 69 THR H 5.000 . 6.000 4.185 3.500 4.454 . 0 0 "[ . 1]" 1
1596 1 68 PHE HA 1 69 THR H 2.500 . 3.300 2.335 2.124 2.409 . 0 0 "[ . 1]" 1
1597 1 68 PHE HA 1 70 ILE HB 4.500 . 6.000 4.209 3.581 4.508 . 0 0 "[ . 1]" 1
1598 1 68 PHE HA 1 81 LEU HB3 4.500 . 6.000 3.398 2.543 3.655 . 0 0 "[ . 1]" 1
1599 1 68 PHE HA 1 81 LEU QD 5.100 . 6.000 3.410 2.546 3.673 . 0 0 "[ . 1]" 1
1600 1 68 PHE HA 1 83 MET HA 3.100 . 4.300 2.897 2.580 3.134 . 0 0 "[ . 1]" 1
1601 1 68 PHE HA 1 84 ASN H 3.100 . 4.300 2.783 2.573 3.202 . 0 0 "[ . 1]" 1
1602 1 68 PHE QB 1 81 LEU QD 3.000 . 4.100 1.924 1.786 2.074 0.114 10 0 "[ . 1]" 1
1603 1 68 PHE QB 1 69 THR H 3.200 . 4.400 2.540 2.340 3.216 . 0 0 "[ . 1]" 1
1604 1 68 PHE QB 1 81 LEU QD 2.800 . 3.800 1.921 1.785 2.067 0.015 10 0 "[ . 1]" 1
1605 1 68 PHE QB 1 81 LEU HG 4.200 . 6.000 2.626 2.224 3.319 . 0 0 "[ . 1]" 1
1606 1 68 PHE QB 1 83 MET HA 3.900 . 5.800 3.623 3.287 4.104 . 0 0 "[ . 1]" 1
1607 1 68 PHE QB 1 83 MET HG2 5.400 . 6.000 4.342 3.736 5.125 . 0 0 "[ . 1]" 1
1608 1 68 PHE HB3 1 81 LEU QD 3.400 . 4.800 1.961 1.813 2.093 0.187 10 0 "[ . 1]" 1
1609 1 68 PHE QR 1 70 ILE HA 4.400 . 6.000 6.433 6.370 6.553 0.553 4 1 "[ +. 1]" 1
1610 1 68 PHE QR 1 81 LEU QD 2.800 . 3.800 2.332 1.852 2.601 . 0 0 "[ . 1]" 1
1611 1 68 PHE QR 1 81 LEU HG 4.700 . 6.000 3.890 3.029 4.454 . 0 0 "[ . 1]" 1
1612 1 68 PHE QR 1 83 MET HB3 5.500 . 6.000 2.467 1.634 3.063 0.166 6 0 "[ . 1]" 1
1613 1 68 PHE QR 1 83 MET HG2 3.500 . 5.000 2.893 1.958 4.126 0.042 10 0 "[ . 1]" 1
1614 1 68 PHE QR 1 83 MET HG3 5.300 . 6.000 3.603 2.579 4.615 . 0 0 "[ . 1]" 1
1615 1 68 PHE QR 1 83 MET HA 3.000 . 4.100 1.936 1.564 2.310 0.336 10 0 "[ . 1]" 1
1616 1 68 PHE QR 1 84 ASN H 3.100 . 4.300 2.627 2.116 3.405 . 0 0 "[ . 1]" 1
1617 1 69 THR H 1 70 ILE MD 4.000 . 6.000 4.449 4.285 4.619 . 0 0 "[ . 1]" 1
1618 1 69 THR H 1 70 ILE H 4.200 . 6.000 4.001 3.926 4.155 . 0 0 "[ . 1]" 1
1619 1 69 THR H 1 81 LEU QD 4.800 . 6.000 2.448 1.877 2.716 0.023 4 0 "[ . 1]" 1
1620 1 69 THR H 1 81 LEU QD 3.200 . 4.400 2.398 1.859 2.600 0.141 4 0 "[ . 1]" 1
1621 1 69 THR H 1 83 MET HA 3.300 . 4.700 3.841 3.601 4.110 . 0 0 "[ . 1]" 1
1622 1 69 THR H 1 83 MET HG3 4.100 . 6.000 4.814 4.143 5.962 . 0 0 "[ . 1]" 1
1623 1 69 THR H 1 84 ASN H 4.200 . 6.000 3.771 3.595 3.852 . 0 0 "[ . 1]" 1
1624 1 69 THR H 1 84 ASN H 4.500 . 6.000 4.341 4.029 4.640 . 0 0 "[ . 1]" 1
1625 1 69 THR HA 1 70 ILE H 2.400 . 3.100 2.128 2.112 2.166 . 0 0 "[ . 1]" 1
1626 1 69 THR HA 1 70 ILE HB 5.000 . 6.000 4.094 3.681 4.439 . 0 0 "[ . 1]" 1
1627 1 69 THR HA 1 70 ILE MG 4.700 . 6.000 3.923 3.518 4.452 . 0 0 "[ . 1]" 1
1628 1 69 THR HB 1 70 ILE H 4.300 . 6.000 4.314 4.212 4.385 . 0 0 "[ . 1]" 1
1629 1 69 THR HB 1 82 GLN HB2 4.400 . 6.000 2.636 2.061 3.138 . 0 0 "[ . 1]" 1
1630 1 69 THR HB 1 82 GLN QB 2.500 . 3.300 1.933 1.592 2.095 0.108 4 0 "[ . 1]" 1
1631 1 69 THR HB 1 82 GLN HB3 2.700 . 3.600 2.143 1.618 3.259 0.182 4 0 "[ . 1]" 1
1632 1 69 THR HB 1 82 GLN HG2 4.100 . 6.000 4.038 3.073 4.842 . 0 0 "[ . 1]" 1
1633 1 69 THR HB 1 82 GLN HG3 4.300 . 6.000 4.428 4.010 4.878 . 0 0 "[ . 1]" 1
1634 1 69 THR MG 1 70 ILE H 3.400 . 4.800 2.777 2.541 2.982 . 0 0 "[ . 1]" 1
1635 1 69 THR MG 1 71 SER QB 4.300 . 6.000 3.024 2.739 3.802 . 0 0 "[ . 1]" 1
1636 1 69 THR MG 1 71 SER QB 4.300 . 6.000 3.055 2.755 3.913 . 0 0 "[ . 1]" 1
1637 1 69 THR MG 1 72 ARG H 5.000 . 6.000 6.107 6.044 6.153 0.153 10 0 "[ . 1]" 1
1638 1 69 THR MG 1 80 TYR QE 4.500 . 6.000 5.353 3.991 6.379 0.379 4 0 "[ . 1]" 1
1639 1 69 THR MG 1 82 GLN QB 3.200 . 4.500 3.053 2.768 3.281 . 0 0 "[ . 1]" 1
1640 1 69 THR MG 1 82 GLN HB3 3.500 . 5.100 3.618 3.128 4.572 . 0 0 "[ . 1]" 1
1641 1 69 THR MG 1 82 GLN HG2 5.000 . 6.000 4.651 4.138 5.356 . 0 0 "[ . 1]" 1
1642 1 69 THR MG 1 82 GLN HG3 5.100 . 6.000 5.326 4.370 5.793 . 0 0 "[ . 1]" 1
1643 1 69 THR MG 1 83 MET HA 4.300 . 6.000 6.867 6.487 7.235 1.235 4 9 "[***+* **-*]" 1
1644 1 70 ILE H 1 71 SER H 3.400 . 4.900 3.402 3.198 3.545 . 0 0 "[ . 1]" 1
1645 1 70 ILE H 1 81 LEU QD 4.200 . 6.000 3.291 3.018 4.116 . 0 0 "[ . 1]" 1
1646 1 70 ILE H 1 81 LEU HB2 4.700 . 6.000 3.302 3.019 4.151 . 0 0 "[ . 1]" 1
1647 1 70 ILE HA 1 71 SER H 2.400 . 3.100 2.131 2.102 2.170 . 0 0 "[ . 1]" 1
1648 1 70 ILE HA 1 71 SER HA 3.100 . 4.300 2.716 2.484 2.901 . 0 0 "[ . 1]" 1
1649 1 70 ILE HA 1 79 LEU QD 3.700 . 5.400 3.235 2.997 3.497 . 0 0 "[ . 1]" 1
1650 1 70 ILE HA 1 81 LEU HB3 3.300 . 4.600 2.317 2.105 3.020 . 0 0 "[ . 1]" 1
1651 1 70 ILE HA 1 81 LEU QD 3.300 . 4.600 2.323 2.108 3.048 . 0 0 "[ . 1]" 1
1652 1 70 ILE HA 1 81 LEU HG 4.600 . 6.000 4.046 3.258 5.249 . 0 0 "[ . 1]" 1
1653 1 70 ILE HA 1 82 GLN H 3.400 . 4.800 4.080 3.987 4.179 . 0 0 "[ . 1]" 1
1654 1 70 ILE HB 1 71 SER H 4.300 . 6.000 4.335 4.171 4.420 . 0 0 "[ . 1]" 1
1655 1 70 ILE HB 1 79 LEU QD 5.000 . 6.000 4.250 3.978 4.736 . 0 0 "[ . 1]" 1
1656 1 70 ILE HB 1 81 LEU QD 5.000 . 6.000 2.537 2.118 3.273 . 0 0 "[ . 1]" 1
1657 1 70 ILE MD 1 71 SER H 3.200 . 4.500 3.519 3.208 3.790 . 0 0 "[ . 1]" 1
1658 1 70 ILE MD 1 79 LEU QD 3.100 . 4.300 2.410 2.065 2.651 . 0 0 "[ . 1]" 1
1659 1 70 ILE MD 1 81 LEU HB3 3.500 . 5.100 3.733 2.937 3.939 . 0 0 "[ . 1]" 1
1660 1 70 ILE MD 1 81 LEU QD 4.800 . 6.000 3.756 2.949 3.963 . 0 0 "[ . 1]" 1
1661 1 70 ILE MD 1 81 LEU QD 2.500 . 3.300 2.351 1.981 2.818 . 0 0 "[ . 1]" 1
1662 1 70 ILE HG12 1 71 SER H 3.500 . 5.000 2.856 2.492 4.140 . 0 0 "[ . 1]" 1
1663 1 70 ILE HG12 1 79 LEU QD 3.400 . 4.900 2.646 2.226 3.908 . 0 0 "[ . 1]" 1
1664 1 70 ILE HG13 1 71 SER H 2.700 . 3.600 3.881 2.635 4.408 0.808 3 3 "[ *+ . - 1]" 1
1665 1 70 ILE HG13 1 79 LEU QD 2.900 . 4.000 3.102 2.712 3.622 . 0 0 "[ . 1]" 1
1666 1 70 ILE HG13 1 81 LEU QD 3.200 . 4.500 2.809 2.279 3.662 . 0 0 "[ . 1]" 1
1667 1 70 ILE MG 1 71 SER H 5.300 . 6.000 3.864 3.395 4.156 . 0 0 "[ . 1]" 1
1668 1 70 ILE MG 1 81 LEU HB3 4.300 . 6.000 3.654 3.228 4.319 . 0 0 "[ . 1]" 1
1669 1 71 SER H 1 72 ARG H 5.000 . 6.000 4.366 4.167 4.436 . 0 0 "[ . 1]" 1
1670 1 71 SER H 1 72 ARG HB2 4.500 . 6.000 4.507 3.860 5.018 . 0 0 "[ . 1]" 1
1671 1 71 SER H 1 79 LEU QD 4.900 . 6.000 3.510 3.081 4.158 . 0 0 "[ . 1]" 1
1672 1 71 SER H 1 80 TYR HB2 3.600 . 5.200 3.075 2.569 3.421 . 0 0 "[ . 1]" 1
1673 1 71 SER H 1 80 TYR HB3 3.800 . 5.600 4.887 4.396 5.326 . 0 0 "[ . 1]" 1
1674 1 71 SER H 1 80 TYR HB3 3.400 . 4.900 2.776 2.451 3.288 . 0 0 "[ . 1]" 1
1675 1 71 SER H 1 82 GLN H 3.800 . 5.600 4.035 3.950 4.112 . 0 0 "[ . 1]" 1
1676 1 71 SER H 1 81 LEU HB2 4.000 . 6.000 3.638 3.509 3.977 . 0 0 "[ . 1]" 1
1677 1 71 SER HA 1 72 ARG HB2 3.400 . 4.800 4.809 3.870 5.146 0.346 8 0 "[ . 1]" 1
1678 1 71 SER QB 1 72 ARG H 2.800 . 3.800 2.915 2.399 3.367 . 0 0 "[ . 1]" 1
1679 1 71 SER QB 1 72 ARG HA 4.300 . 6.000 4.235 3.794 4.684 . 0 0 "[ . 1]" 1
1680 1 72 ARG H 1 79 LEU QD 3.700 . 5.400 3.937 3.662 4.202 . 0 0 "[ . 1]" 1
1681 1 72 ARG HA 1 73 ASP H 2.600 . 3.400 2.464 2.208 2.609 . 0 0 "[ . 1]" 1
1682 1 72 ARG HA 1 73 ASP HA 3.000 . 4.200 3.073 2.597 3.236 . 0 0 "[ . 1]" 1
1683 1 72 ARG HA 1 79 LEU HA 3.100 . 4.300 3.144 2.616 3.333 . 0 0 "[ . 1]" 1
1684 1 72 ARG HA 1 79 LEU QD 4.400 . 6.000 3.402 3.055 3.638 . 0 0 "[ . 1]" 1
1685 1 72 ARG HA 1 80 TYR H 3.000 . 4.100 2.949 2.578 3.489 . 0 0 "[ . 1]" 1
1686 1 72 ARG HA 1 80 TYR QD 3.200 . 4.500 2.462 2.218 2.781 . 0 0 "[ . 1]" 1
1687 1 72 ARG HA 1 80 TYR QE 3.500 . 5.000 4.086 3.755 4.174 . 0 0 "[ . 1]" 1
1688 1 72 ARG HB2 1 73 ASP H 3.300 . 4.700 2.601 1.992 4.030 . 0 0 "[ . 1]" 1
1689 1 72 ARG HB2 1 73 ASP HA 4.200 . 6.000 3.224 2.400 4.475 . 0 0 "[ . 1]" 1
1690 1 72 ARG HB3 1 73 ASP H 4.100 . 6.000 3.562 3.058 4.093 . 0 0 "[ . 1]" 1
1691 1 72 ARG HB3 1 78 THR HB 4.500 . 6.000 4.576 3.917 5.800 . 0 0 "[ . 1]" 1
1692 1 72 ARG HD3 1 79 LEU QD 3.100 . 4.300 2.820 2.091 3.624 . 0 0 "[ . 1]" 1
1693 1 72 ARG QG 1 73 ASP H 3.700 . 5.400 3.254 2.135 4.194 . 0 0 "[ . 1]" 1
1694 1 73 ASP H 1 76 LYS H 3.700 . 5.400 3.918 3.444 4.298 . 0 0 "[ . 1]" 1
1695 1 73 ASP H 1 76 LYS HB2 5.200 . 6.000 5.010 4.135 6.492 0.492 10 0 "[ . 1]" 1
1696 1 73 ASP H 1 78 THR H 4.300 . 6.000 4.047 3.482 4.486 . 0 0 "[ . 1]" 1
1697 1 73 ASP H 1 78 THR HB 4.100 . 6.000 4.411 3.708 5.117 . 0 0 "[ . 1]" 1
1698 1 73 ASP H 1 78 THR MG 5.400 . 6.000 5.589 5.067 6.020 0.020 8 0 "[ . 1]" 1
1699 1 73 ASP HB2 1 76 LYS H 5.100 . 6.000 4.300 3.496 5.456 . 0 0 "[ . 1]" 1
1700 1 73 ASP HB2 1 76 LYS HB2 3.900 . 5.800 3.821 2.639 4.861 . 0 0 "[ . 1]" 1
1701 1 73 ASP HB2 1 78 THR H 3.800 . 5.600 4.942 4.381 5.675 0.075 6 0 "[ . 1]" 1
1702 1 73 ASP HB2 1 78 THR HB 3.700 . 5.400 4.688 3.262 6.053 0.653 7 1 "[ . + 1]" 1
1703 1 73 ASP HB2 1 80 TYR QE 3.200 . 4.500 3.490 2.687 4.914 0.414 7 0 "[ . 1]" 1
1704 1 73 ASP HB3 1 76 LYS H 4.100 . 6.000 3.411 2.515 4.537 . 0 0 "[ . 1]" 1
1705 1 73 ASP HB3 1 76 LYS H 3.800 . 5.600 3.387 2.498 4.740 . 0 0 "[ . 1]" 1
1706 1 73 ASP HB3 1 78 THR HB 3.600 . 5.200 4.704 3.818 5.761 0.561 2 2 "[ + . - 1]" 1
1707 1 73 ASP HB3 1 78 THR H 4.600 . 6.000 4.014 3.562 4.452 . 0 0 "[ . 1]" 1
1708 1 73 ASP HB3 1 80 TYR QE 3.700 . 5.400 3.990 3.615 4.388 . 0 0 "[ . 1]" 1
1709 1 74 ASN QB 1 75 ALA H 4.100 . 6.000 3.467 2.670 3.995 . 0 0 "[ . 1]" 1
1710 1 74 ASN QB 1 75 ALA MB 3.500 . 5.100 3.483 2.895 4.095 . 0 0 "[ . 1]" 1
1711 1 74 ASN HB2 1 75 ALA MB 4.300 . 6.000 3.942 3.170 4.522 . 0 0 "[ . 1]" 1
1712 1 74 ASN HB3 1 75 ALA H 5.200 . 6.000 4.088 2.720 4.675 . 0 0 "[ . 1]" 1
1713 1 74 ASN HB3 1 75 ALA MB 5.300 . 6.000 4.744 3.404 5.555 . 0 0 "[ . 1]" 1
1714 1 75 ALA H 1 76 LYS H 3.600 . 5.200 2.486 1.897 2.957 0.103 3 0 "[ . 1]" 1
1715 1 75 ALA HA 1 76 LYS H 3.800 . 5.600 3.101 2.448 3.573 . 0 0 "[ . 1]" 1
1716 1 75 ALA MB 1 76 LYS H 3.400 . 4.900 3.203 2.078 3.721 . 0 0 "[ . 1]" 1
1717 1 75 ALA MB 1 76 LYS HB3 3.400 . 4.900 4.855 3.897 5.473 0.573 4 2 "[ +. - 1]" 1
1718 1 76 LYS H 1 77 ASN H 3.400 . 4.900 3.804 1.518 4.610 0.382 1 0 "[ . 1]" 1
1719 1 76 LYS H 1 77 ASN HA 4.600 . 6.000 4.683 3.738 5.542 . 0 0 "[ . 1]" 1
1720 1 76 LYS H 1 77 ASN HB2 5.500 . 6.000 4.229 3.783 4.571 . 0 0 "[ . 1]" 1
1721 1 76 LYS HB2 1 78 THR HB 3.600 . 5.200 4.562 3.249 5.595 0.395 2 0 "[ . 1]" 1
1722 1 76 LYS HB2 1 77 ASN HB2 5.300 . 6.000 5.093 4.636 5.580 . 0 0 "[ . 1]" 1
1723 1 76 LYS HB3 1 78 THR HB 5.100 . 6.000 4.809 3.954 6.022 0.022 5 0 "[ . 1]" 1
1724 1 76 LYS HB3 1 78 THR MG 4.100 . 6.000 4.444 3.757 5.146 . 0 0 "[ . 1]" 1
1725 1 76 LYS QD 1 77 ASN HA 5.400 . 6.000 5.776 4.278 6.246 0.246 7 0 "[ . 1]" 1
1726 1 76 LYS QD 1 78 THR HB 4.900 . 6.000 4.085 2.758 5.526 . 0 0 "[ . 1]" 1
1727 1 77 ASN H 1 78 THR H 4.600 . 6.000 3.640 3.024 4.052 . 0 0 "[ . 1]" 1
1728 1 77 ASN HA 1 78 THR H 3.100 . 4.300 2.398 2.283 2.492 . 0 0 "[ . 1]" 1
1729 1 77 ASN QD 1 98 LYS QD 5.900 . 6.000 7.407 6.804 8.122 2.122 10 10 [***-*****+] 1
1730 1 77 ASN QD 1 98 LYS QE 3.600 . 5.200 7.534 6.334 9.268 4.068 10 10 [******-**+] 1
1731 1 78 THR H 1 79 LEU H 5.000 . 6.000 4.307 4.008 4.416 . 0 0 "[ . 1]" 1
1732 1 78 THR HA 1 79 LEU H 2.600 . 3.500 2.243 2.111 2.341 . 0 0 "[ . 1]" 1
1733 1 78 THR HA 1 79 LEU HB3 4.700 . 6.000 4.681 4.567 4.787 . 0 0 "[ . 1]" 1
1734 1 78 THR HB 1 79 LEU H 4.300 . 6.000 3.229 2.526 4.079 . 0 0 "[ . 1]" 1
1735 1 78 THR MG 1 79 LEU H 2.800 . 3.800 2.589 1.875 3.119 . 0 0 "[ . 1]" 1
1736 1 78 THR MG 1 79 LEU QD 3.800 . 5.600 3.826 3.576 4.064 . 0 0 "[ . 1]" 1
1737 1 78 THR MG 1 80 TYR HA 4.000 . 6.000 4.053 3.933 4.185 . 0 0 "[ . 1]" 1
1738 1 79 LEU H 1 80 TYR H 3.600 . 5.200 3.909 3.837 3.990 . 0 0 "[ . 1]" 1
1739 1 79 LEU HA 1 80 TYR H 2.800 . 3.800 2.193 2.145 2.260 . 0 0 "[ . 1]" 1
1740 1 79 LEU QD 1 80 TYR H 3.900 . 5.800 2.447 1.838 2.914 0.162 3 0 "[ . 1]" 1
1741 1 79 LEU QD 1 81 LEU QD 4.700 . 6.000 3.900 3.680 4.108 . 0 0 "[ . 1]" 1
1742 1 79 LEU QD 1 96 CYS HB2 3.100 . 4.300 2.127 1.874 2.908 0.026 4 0 "[ . 1]" 1
1743 1 79 LEU QD 1 97 ALA H 4.100 . 6.000 3.337 3.070 3.611 . 0 0 "[ . 1]" 1
1744 1 79 LEU HG 1 80 TYR H 4.300 . 6.000 3.557 2.662 4.360 . 0 0 "[ . 1]" 1
1745 1 80 TYR H 1 81 LEU H 4.300 . 6.000 4.451 4.285 4.542 . 0 0 "[ . 1]" 1
1746 1 80 TYR HA 1 81 LEU H 2.400 . 3.100 2.250 2.137 2.377 . 0 0 "[ . 1]" 1
1747 1 80 TYR HB2 1 81 LEU H 3.100 . 4.300 3.885 3.663 4.212 . 0 0 "[ . 1]" 1
1748 1 80 TYR HB3 1 81 LEU H 3.600 . 5.200 2.794 2.458 3.319 . 0 0 "[ . 1]" 1
1749 1 81 LEU HB2 1 82 GLN H 3.400 . 4.800 2.868 1.941 3.129 0.059 4 0 "[ . 1]" 1
1750 1 81 LEU HB3 1 83 MET HB3 4.900 . 6.000 3.508 2.992 4.181 . 0 0 "[ . 1]" 1
1751 1 81 LEU QD 1 82 GLN H 3.700 . 5.400 2.938 1.944 3.242 0.056 4 0 "[ . 1]" 1
1752 1 81 LEU QD 1 82 GLN HG2 4.400 . 6.000 4.288 3.621 4.874 . 0 0 "[ . 1]" 1
1753 1 81 LEU QD 1 83 MET HA 4.400 . 6.000 3.281 2.625 3.878 . 0 0 "[ . 1]" 1
1754 1 81 LEU QD 1 83 MET HB3 2.600 . 3.500 2.384 1.987 2.907 . 0 0 "[ . 1]" 1
1755 1 81 LEU QD 1 83 MET ME 3.100 . 4.300 2.409 1.991 2.952 . 0 0 "[ . 1]" 1
1756 1 81 LEU QD 1 83 MET HG2 3.100 . 4.300 2.740 1.961 4.036 0.039 6 0 "[ . 1]" 1
1757 1 81 LEU QD 1 83 MET HG3 3.100 . 3.600 2.741 1.787 4.218 0.618 3 1 "[ + . 1]" 1
1758 1 81 LEU QD 1 83 MET HG3 3.100 . 4.300 2.621 1.787 3.477 0.113 7 0 "[ . 1]" 1
1759 1 81 LEU HG 1 82 GLN H 3.100 . 4.300 2.549 2.083 4.235 . 0 0 "[ . 1]" 1
1760 1 81 LEU HG 1 83 MET HB3 4.000 . 6.000 4.351 3.434 4.972 . 0 0 "[ . 1]" 1
1761 1 81 LEU HG 1 83 MET HG2 3.700 . 5.400 3.609 3.050 3.983 . 0 0 "[ . 1]" 1
1762 1 81 LEU HG 1 83 MET HG3 3.500 . 5.000 3.562 3.255 3.784 . 0 0 "[ . 1]" 1
1763 1 82 GLN HA 1 83 MET HG3 4.500 . 6.000 4.265 3.602 5.370 . 0 0 "[ . 1]" 1
1764 1 82 GLN HG2 1 84 ASN QD 4.600 . 5.400 2.974 2.146 4.265 . 0 0 "[ . 1]" 1
1765 1 82 GLN HG3 1 84 ASN QD 5.200 . 5.800 2.878 1.897 3.910 0.103 10 0 "[ . 1]" 1
1766 1 83 MET H 1 84 ASN H 4.800 . 6.000 4.153 3.978 4.248 . 0 0 "[ . 1]" 1
1767 1 83 MET HA 1 84 ASN H 2.300 . 3.000 2.202 2.148 2.280 . 0 0 "[ . 1]" 1
1768 1 83 MET HA 1 84 ASN HB2 5.000 . 6.000 4.916 4.398 5.559 . 0 0 "[ . 1]" 1
1769 1 83 MET HA 1 84 ASN HB3 5.400 . 6.000 3.868 3.081 4.416 . 0 0 "[ . 1]" 1
1770 1 83 MET HA 1 84 ASN QD 3.600 . 5.200 5.175 3.869 6.366 1.166 4 3 "[ -+. * 1]" 1
1771 1 83 MET HB2 1 84 ASN H 4.200 . 6.000 4.410 4.119 4.577 . 0 0 "[ . 1]" 1
1772 1 83 MET HB2 1 86 LEU QD 2.800 . 3.800 2.809 2.196 3.438 . 0 0 "[ . 1]" 1
1773 1 83 MET HB3 1 84 ASN H 5.800 . 6.000 3.949 3.820 4.194 . 0 0 "[ . 1]" 1
1774 1 83 MET HB3 1 86 LEU HB3 3.900 . 5.800 5.547 4.811 6.431 0.631 8 1 "[ . + 1]" 1
1775 1 83 MET HB3 1 86 LEU QD 3.100 . 4.300 2.281 1.672 2.761 0.228 5 0 "[ . 1]" 1
1776 1 83 MET ME 1 90 ASP HB2 3.400 . 4.800 2.411 2.008 3.051 . 0 0 "[ . 1]" 1
1777 1 83 MET ME 1 92 ALA H 4.500 . 6.000 4.315 4.223 4.373 . 0 0 "[ . 1]" 1
1778 1 83 MET ME 1 86 LEU QD 2.900 . 3.400 1.948 1.601 2.204 0.199 9 0 "[ . 1]" 1
1779 1 83 MET ME 1 90 ASP HB2 3.700 . 5.400 2.935 2.452 3.465 . 0 0 "[ . 1]" 1
1780 1 83 MET ME 1 94 TYR QD 3.100 . 4.300 2.801 2.680 3.122 . 0 0 "[ . 1]" 1
1781 1 83 MET ME 1 94 TYR QE 3.200 . 4.500 2.854 2.690 3.313 . 0 0 "[ . 1]" 1
1782 1 83 MET ME 1 94 TYR HH 4.800 . 6.000 3.738 2.467 4.494 . 0 0 "[ . 1]" 1
1783 1 83 MET ME 1 113 VAL HB 4.000 . 6.000 3.369 3.107 3.930 . 0 0 "[ . 1]" 1
1784 1 83 MET HG2 1 86 LEU QD 4.000 . 6.000 3.960 3.059 4.509 . 0 0 "[ . 1]" 1
1785 1 83 MET HG3 1 84 ASN H 4.800 . 6.000 5.023 4.333 5.840 . 0 0 "[ . 1]" 1
1786 1 84 ASN H 1 87 LYS H 5.800 . 6.000 4.930 4.597 5.342 . 0 0 "[ . 1]" 1
1787 1 84 ASN HA 1 85 SER H 2.500 . 3.300 2.428 2.301 2.512 . 0 0 "[ . 1]" 1
1788 1 84 ASN HA 1 85 SER HA 5.100 . 6.000 4.512 4.304 4.573 . 0 0 "[ . 1]" 1
1789 1 84 ASN HB2 1 85 SER H 4.100 . 6.000 3.426 2.687 4.647 . 0 0 "[ . 1]" 1
1790 1 84 ASN HB3 1 85 SER HA 4.800 . 6.000 4.703 4.254 5.342 . 0 0 "[ . 1]" 1
1791 1 84 ASN HB3 1 85 SER HA 3.600 . 5.300 3.745 3.052 4.326 . 0 0 "[ . 1]" 1
1792 1 85 SER H 1 86 LEU H 3.000 . 4.200 2.951 2.672 3.835 . 0 0 "[ . 1]" 1
1793 1 85 SER H 1 86 LEU QD 5.100 . 6.000 2.947 1.942 3.482 . 0 0 "[ . 1]" 1
1794 1 85 SER HA 1 86 LEU H 2.500 . 3.300 2.562 1.874 2.852 . 0 0 "[ . 1]" 1
1795 1 85 SER HA 1 86 LEU H 3.500 . 5.000 2.915 2.613 3.549 . 0 0 "[ . 1]" 1
1796 1 85 SER HA 1 86 LEU HB2 5.600 . 6.000 4.644 4.398 4.880 . 0 0 "[ . 1]" 1
1797 1 85 SER QB 1 86 LEU H 5.300 . 6.000 3.491 1.881 3.927 . 0 0 "[ . 1]" 1
1798 1 86 LEU H 1 87 LYS H 4.500 . 6.000 4.463 3.460 4.638 . 0 0 "[ . 1]" 1
1799 1 86 LEU HA 1 87 LYS H 2.500 . 3.300 2.263 2.137 2.454 . 0 0 "[ . 1]" 1
1800 1 86 LEU HA 1 87 LYS HB3 4.300 . 6.000 3.820 3.179 4.546 . 0 0 "[ . 1]" 1
1801 1 86 LEU HA 1 87 LYS HB3 4.800 . 6.000 4.349 4.139 4.741 . 0 0 "[ . 1]" 1
1802 1 86 LEU HA 1 87 LYS QG 4.000 . 6.000 3.179 2.942 3.620 . 0 0 "[ . 1]" 1
1803 1 86 LEU HA 1 115 VAL QG 2.900 . 4.000 3.386 2.852 3.788 . 0 0 "[ . 1]" 1
1804 1 86 LEU HB2 1 115 VAL QG 3.000 . 4.100 2.587 2.204 2.956 . 0 0 "[ . 1]" 1
1805 1 86 LEU HB2 1 87 LYS H 3.500 . 5.000 3.835 3.335 4.360 . 0 0 "[ . 1]" 1
1806 1 86 LEU HB3 1 87 LYS H 3.000 . 4.100 2.875 2.335 3.828 . 0 0 "[ . 1]" 1
1807 1 86 LEU HB3 1 87 LYS H 4.500 . 6.000 2.906 2.343 3.891 . 0 0 "[ . 1]" 1
1808 1 86 LEU HB3 1 115 VAL QG 2.800 . 3.800 2.157 1.989 2.339 0.011 8 0 "[ . 1]" 1
1809 1 86 LEU QD 1 87 LYS H 3.500 . 5.000 3.758 3.280 4.321 . 0 0 "[ . 1]" 1
1810 1 86 LEU QD 1 87 LYS H 3.700 . 5.500 3.108 2.725 3.376 . 0 0 "[ . 1]" 1
1811 1 86 LEU QD 1 90 ASP H 4.200 . 6.000 3.248 2.975 3.520 . 0 0 "[ . 1]" 1
1812 1 86 LEU QD 1 90 ASP HB2 4.800 . 6.000 2.416 2.009 3.065 . 0 0 "[ . 1]" 1
1813 1 86 LEU QD 1 94 TYR HH 3.600 . 5.200 4.817 3.619 5.550 0.350 4 0 "[ . 1]" 1
1814 1 86 LEU HG 1 87 LYS H 4.600 . 6.000 4.762 4.370 5.688 . 0 0 "[ . 1]" 1
1815 1 86 LEU HG 1 115 VAL QG 3.600 . 5.200 3.432 2.325 4.180 . 0 0 "[ . 1]" 1
1816 1 87 LYS H 1 90 ASP H 3.800 . 5.600 3.091 2.555 3.372 . 0 0 "[ . 1]" 1
1817 1 87 LYS H 1 90 ASP H 4.100 . 6.000 3.088 2.555 3.367 . 0 0 "[ . 1]" 1
1818 1 87 LYS H 1 90 ASP HB2 3.900 . 5.800 3.759 1.846 4.543 0.154 6 0 "[ . 1]" 1
1819 1 87 LYS H 1 90 ASP HB3 3.500 . 5.100 4.183 3.019 5.214 0.114 10 0 "[ . 1]" 1
1820 1 87 LYS H 1 115 VAL QG 3.200 . 4.500 3.347 2.829 3.546 . 0 0 "[ . 1]" 1
1821 1 87 LYS HB2 1 88 SER H 4.100 . 6.000 3.247 1.833 3.898 0.167 6 0 "[ . 1]" 1
1822 1 87 LYS HB2 1 88 SER H 3.700 . 5.400 3.324 1.846 4.104 0.154 6 0 "[ . 1]" 1
1823 1 87 LYS HB2 1 90 ASP H 5.300 . 6.000 5.676 4.544 6.152 0.152 10 0 "[ . 1]" 1
1824 1 87 LYS HB3 1 89 GLU HG3 2.900 . 3.900 3.542 1.630 4.025 0.270 1 0 "[ . 1]" 1
1825 1 87 LYS HB3 1 90 ASP H 3.200 . 4.500 3.929 2.876 5.113 0.613 4 1 "[ +. 1]" 1
1826 1 87 LYS HB3 1 88 SER H 3.800 . 5.600 4.118 3.429 4.679 . 0 0 "[ . 1]" 1
1827 1 87 LYS HB3 1 89 GLU H 4.100 . 6.000 4.925 4.125 5.277 . 0 0 "[ . 1]" 1
1828 1 87 LYS QG 1 88 SER QB 4.400 . 6.000 3.947 2.976 4.896 . 0 0 "[ . 1]" 1
1829 1 88 SER H 1 90 ASP H 5.200 . 6.000 3.293 2.518 4.286 . 0 0 "[ . 1]" 1
1830 1 88 SER HA 1 90 ASP H 3.700 . 5.400 4.111 3.734 4.409 . 0 0 "[ . 1]" 1
1831 1 88 SER HA 1 90 ASP H 4.200 . 6.000 3.942 3.697 4.229 . 0 0 "[ . 1]" 1
1832 1 88 SER HA 1 91 THR HG1 3.700 . 5.400 3.066 2.325 4.324 . 0 0 "[ . 1]" 1
1833 1 88 SER HA 1 115 VAL H 4.000 . 6.000 5.230 4.704 5.932 . 0 0 "[ . 1]" 1
1834 1 88 SER HA 1 115 VAL HB 2.800 . 3.700 3.606 2.772 5.357 1.657 10 2 "[ . - +]" 1
1835 1 88 SER HA 1 115 VAL QG 3.300 . 4.600 3.136 2.408 3.539 . 0 0 "[ . 1]" 1
1836 1 88 SER QB 1 90 ASP H 4.700 . 6.000 4.762 4.280 5.150 . 0 0 "[ . 1]" 1
1837 1 88 SER QB 1 89 GLU H 3.700 . 5.400 3.035 2.365 3.635 . 0 0 "[ . 1]" 1
1838 1 88 SER QB 1 91 THR HG1 4.400 . 6.000 4.749 3.789 5.836 . 0 0 "[ . 1]" 1
1839 1 88 SER QB 1 115 VAL QG 4.600 . 5.600 4.406 3.824 4.845 . 0 0 "[ . 1]" 1
1840 1 89 GLU H 1 90 ASP H 4.100 . 6.000 2.395 1.888 2.721 0.012 8 0 "[ . 1]" 1
1841 1 89 GLU HA 1 90 ASP H 4.000 . 6.000 3.480 3.404 3.535 . 0 0 "[ . 1]" 1
1842 1 89 GLU HA 1 90 ASP H 3.100 . 4.300 3.419 3.350 3.467 . 0 0 "[ . 1]" 1
1843 1 89 GLU HA 1 91 THR H 4.000 . 6.000 4.119 3.773 5.967 . 0 0 "[ . 1]" 1
1844 1 89 GLU HB2 1 90 ASP H 3.300 . 4.700 4.003 3.865 4.179 . 0 0 "[ . 1]" 1
1845 1 89 GLU QG 1 90 ASP H 3.300 . 4.600 3.023 2.311 3.377 . 0 0 "[ . 1]" 1
1846 1 89 GLU HG2 1 90 ASP H 4.300 . 6.000 3.501 2.430 4.392 . 0 0 "[ . 1]" 1
1847 1 90 ASP H 1 91 THR H 2.700 . 3.600 2.703 2.373 3.532 . 0 0 "[ . 1]" 1
1848 1 90 ASP H 1 91 THR HB 4.300 . 6.000 3.940 3.707 4.231 . 0 0 "[ . 1]" 1
1849 1 90 ASP H 1 91 THR HG1 4.300 . 6.000 5.043 4.389 5.476 . 0 0 "[ . 1]" 1
1850 1 90 ASP H 1 92 ALA H 4.800 . 6.000 4.466 4.284 4.573 . 0 0 "[ . 1]" 1
1851 1 90 ASP H 1 93 VAL QG 5.000 . 6.000 6.208 6.098 6.352 0.352 2 0 "[ . 1]" 1
1852 1 90 ASP H 1 115 VAL QG 3.400 . 4.900 3.419 3.042 3.739 . 0 0 "[ . 1]" 1
1853 1 90 ASP HB2 1 91 THR H 5.200 . 6.000 3.423 2.507 4.280 . 0 0 "[ . 1]" 1
1854 1 90 ASP HB2 1 92 ALA MB 4.000 . 6.000 5.046 4.984 5.179 . 0 0 "[ . 1]" 1
1855 1 90 ASP HB2 1 94 TYR HH 3.400 . 4.800 4.329 3.830 5.353 0.553 10 1 "[ . +]" 1
1856 1 90 ASP HB2 1 115 VAL QG 3.600 . 5.200 2.845 1.854 3.773 0.146 10 0 "[ . 1]" 1
1857 1 90 ASP HB3 1 91 THR H 3.400 . 4.800 3.324 1.675 4.231 0.325 8 0 "[ . 1]" 1
1858 1 90 ASP HB3 1 94 TYR HH 4.600 . 6.000 3.981 2.483 5.026 . 0 0 "[ . 1]" 1
1859 1 91 THR H 1 92 ALA H 4.000 . 6.000 4.142 3.583 4.304 . 0 0 "[ . 1]" 1
1860 1 91 THR H 1 92 ALA H 3.900 . 5.800 3.767 3.430 3.862 . 0 0 "[ . 1]" 1
1861 1 91 THR H 1 92 ALA MB 4.100 . 6.000 4.217 4.102 4.304 . 0 0 "[ . 1]" 1
1862 1 91 THR H 1 115 VAL H 4.300 . 6.000 4.447 3.720 5.079 . 0 0 "[ . 1]" 1
1863 1 91 THR H 1 115 VAL HB 4.000 . 6.000 4.091 3.850 4.374 . 0 0 "[ . 1]" 1
1864 1 91 THR H 1 115 VAL QG . . 4.700 2.587 2.104 2.927 . 0 0 "[ . 1]" 1
1865 1 91 THR HA 1 114 THR MG 3.300 . 4.600 3.450 2.967 3.693 . 0 0 "[ . 1]" 1
1866 1 91 THR HA 1 115 VAL H 2.600 . 3.400 3.144 2.759 3.404 0.004 7 0 "[ . 1]" 1
1867 1 91 THR HA 1 92 ALA H 2.600 . 3.400 2.236 2.190 2.269 . 0 0 "[ . 1]" 1
1868 1 91 THR HA 1 92 ALA MB 4.100 . 6.000 3.432 3.016 3.606 . 0 0 "[ . 1]" 1
1869 1 91 THR HA 1 115 VAL QG 3.600 . 5.200 2.799 2.495 3.108 . 0 0 "[ . 1]" 1
1870 1 91 THR HB 1 92 ALA H 3.300 . 4.700 4.415 4.349 4.517 . 0 0 "[ . 1]" 1
1871 1 91 THR HB 1 114 THR HB 4.500 . 6.000 4.763 4.452 5.191 . 0 0 "[ . 1]" 1
1872 1 91 THR HB 1 115 VAL QG 4.400 . 6.000 3.784 3.163 4.209 . 0 0 "[ . 1]" 1
1873 1 91 THR HG1 1 115 VAL H 2.900 . 3.900 2.645 2.054 2.970 . 0 0 "[ . 1]" 1
1874 1 91 THR HG1 1 115 VAL HB 3.900 . 5.800 2.822 1.983 4.525 0.017 7 0 "[ . 1]" 1
1875 1 91 THR HG1 1 115 VAL QG 3.900 . 5.800 2.608 1.972 3.240 0.028 10 0 "[ . 1]" 1
1876 1 91 THR MG 1 92 ALA H 3.200 . 4.500 3.345 3.144 3.474 . 0 0 "[ . 1]" 1
1877 1 91 THR MG 1 94 TYR QD 3.800 . 5.600 4.006 3.454 4.553 . 0 0 "[ . 1]" 1
1878 1 91 THR MG 1 112 GLN QE 3.800 . 5.600 4.041 3.465 4.648 . 0 0 "[ . 1]" 1
1879 1 91 THR MG 1 112 GLN QG 3.700 . 5.400 4.009 3.261 5.475 0.075 10 0 "[ . 1]" 1
1880 1 91 THR MG 1 114 THR HB 4.200 . 6.000 3.843 3.475 4.311 . 0 0 "[ . 1]" 1
1881 1 91 THR MG 1 114 THR MG 2.700 . 3.600 1.873 1.731 2.028 0.069 9 0 "[ . 1]" 1
1882 1 91 THR MG 1 115 VAL H 3.000 . 4.100 2.444 1.987 3.303 . 0 0 "[ . 1]" 1
1883 1 91 THR MG 1 115 VAL QG 4.100 . 6.000 3.430 2.982 3.659 . 0 0 "[ . 1]" 1
1884 1 92 ALA H 1 93 VAL H 3.600 . 5.200 3.940 3.869 3.989 . 0 0 "[ . 1]" 1
1885 1 92 ALA H 1 93 VAL HB 4.400 . 6.000 5.164 4.678 5.509 . 0 0 "[ . 1]" 1
1886 1 92 ALA H 1 94 TYR HH 4.900 . 6.000 4.743 3.915 5.334 . 0 0 "[ . 1]" 1
1887 1 92 ALA H 1 112 GLN QE 4.200 . 6.000 4.269 4.002 4.499 . 0 0 "[ . 1]" 1
1888 1 92 ALA H 1 113 VAL MG2 4.000 . 6.000 3.385 2.931 3.700 . 0 0 "[ . 1]" 1
1889 1 92 ALA H 1 94 TYR QD 3.500 . 5.000 3.841 3.666 3.924 . 0 0 "[ . 1]" 1
1890 1 92 ALA H 1 94 TYR QE 3.100 . 4.300 2.827 2.634 3.058 . 0 0 "[ . 1]" 1
1891 1 92 ALA H 1 112 GLN QE 3.400 . 4.800 4.417 4.045 4.916 0.116 9 0 "[ . 1]" 1
1892 1 92 ALA H 1 112 GLN QG 3.500 . 5.100 2.897 2.542 3.236 . 0 0 "[ . 1]" 1
1893 1 92 ALA HA 1 93 VAL H 3.000 . 4.200 2.618 2.468 2.792 . 0 0 "[ . 1]" 1
1894 1 92 ALA MB 1 93 VAL H 2.300 . 3.000 2.050 1.689 2.418 . 0 0 "[ . 1]" 1
1895 1 92 ALA MB 1 93 VAL HB 4.200 . 6.000 4.231 4.110 4.449 . 0 0 "[ . 1]" 1
1896 1 92 ALA MB 1 93 VAL QG 4.000 . 6.000 3.601 3.397 3.765 . 0 0 "[ . 1]" 1
1897 1 92 ALA MB 1 94 TYR QE 2.800 . 3.800 3.018 2.764 3.153 . 0 0 "[ . 1]" 1
1898 1 92 ALA MB 1 94 TYR HH 4.300 . 6.000 3.910 3.253 4.595 . 0 0 "[ . 1]" 1
1899 1 92 ALA MB 1 113 VAL H 3.800 . 5.600 3.831 3.639 4.119 . 0 0 "[ . 1]" 1
1900 1 92 ALA MB 1 113 VAL MG2 2.600 . 3.400 2.459 2.146 2.607 . 0 0 "[ . 1]" 1
1901 1 92 ALA MB 1 112 GLN QE 4.300 . 5.600 3.917 3.091 4.512 . 0 0 "[ . 1]" 1
1902 1 93 VAL H 1 94 TYR QE 4.300 . 6.000 4.025 3.767 4.290 . 0 0 "[ . 1]" 1
1903 1 93 VAL HA 1 94 TYR H 2.500 . 3.300 2.222 2.154 2.314 . 0 0 "[ . 1]" 1
1904 1 93 VAL HA 1 94 TYR H 2.200 . 2.800 2.214 2.144 2.306 . 0 0 "[ . 1]" 1
1905 1 93 VAL HA 1 111 THR MG 3.900 . 5.800 3.398 3.307 3.675 . 0 0 "[ . 1]" 1
1906 1 93 VAL HB 1 94 TYR H 3.900 . 5.800 3.890 3.658 4.068 . 0 0 "[ . 1]" 1
1907 1 93 VAL HB 1 113 VAL H 3.300 . 4.600 3.178 2.779 3.450 . 0 0 "[ . 1]" 1
1908 1 93 VAL HB 1 113 VAL MG2 4.100 . 6.000 4.325 4.213 4.486 . 0 0 "[ . 1]" 1
1909 1 93 VAL QG 1 94 TYR H 2.900 . 3.900 2.436 2.158 2.687 . 0 0 "[ . 1]" 1
1910 1 93 VAL QG 1 94 TYR H 2.900 . 3.900 1.969 1.862 2.110 0.038 1 0 "[ . 1]" 1
1911 1 93 VAL QG 1 94 TYR HA 3.700 . 5.400 3.262 3.180 3.342 . 0 0 "[ . 1]" 1
1912 1 93 VAL QG 1 94 TYR QB 5.300 . 6.000 4.140 4.022 4.250 . 0 0 "[ . 1]" 1
1913 1 93 VAL QG 1 94 TYR QD 3.900 . 5.800 2.364 1.847 2.913 0.153 9 0 "[ . 1]" 1
1914 1 93 VAL QG 1 94 TYR QD 3.800 . 5.600 2.433 1.852 3.115 0.148 9 0 "[ . 1]" 1
1915 1 93 VAL QG 1 95 TYR HB2 3.900 . 5.600 5.371 5.201 5.484 . 0 0 "[ . 1]" 1
1916 1 93 VAL QG 1 95 TYR HB3 5.400 . 6.000 5.162 4.819 5.451 . 0 0 "[ . 1]" 1
1917 1 93 VAL QG 1 110 GLY H 3.600 . 5.200 4.232 3.774 4.655 . 0 0 "[ . 1]" 1
1918 1 93 VAL QG 1 110 GLY H 3.800 . 5.600 3.290 3.205 3.390 . 0 0 "[ . 1]" 1
1919 1 93 VAL QG 1 110 GLY HA2 3.100 . 4.300 2.470 2.294 2.869 . 0 0 "[ . 1]" 1
1920 1 93 VAL QG 1 110 GLY HA3 3.300 . 4.600 2.607 2.007 3.342 . 0 0 "[ . 1]" 1
1921 1 93 VAL QG 1 111 THR H 4.200 . 6.000 2.770 2.486 3.084 . 0 0 "[ . 1]" 1
1922 1 93 VAL QG 1 111 THR H . . 4.500 2.698 2.453 2.977 . 0 0 "[ . 1]" 1
1923 1 93 VAL QG 1 112 GLN HA 3.100 . 4.300 2.525 2.354 2.603 . 0 0 "[ . 1]" 1
1924 1 93 VAL QG 1 112 GLN H 4.300 . 6.000 3.756 3.416 3.920 . 0 0 "[ . 1]" 1
1925 1 93 VAL QG 1 112 GLN HA 4.200 . 6.000 2.543 2.366 2.616 . 0 0 "[ . 1]" 1
1926 1 93 VAL QG 1 112 GLN QB 3.500 . 5.000 3.353 2.967 3.903 . 0 0 "[ . 1]" 1
1927 1 93 VAL QG 1 112 GLN QE 3.300 . 4.700 2.468 1.854 3.237 0.146 9 0 "[ . 1]" 1
1928 1 93 VAL QG 1 112 GLN QG 3.500 . 5.000 3.803 2.763 4.197 . 0 0 "[ . 1]" 1
1929 1 93 VAL QG 1 113 VAL H 2.800 . 3.800 3.441 3.307 3.562 . 0 0 "[ . 1]" 1
1930 1 94 TYR H 1 95 TYR H 4.200 . 6.000 4.450 4.302 4.528 . 0 0 "[ . 1]" 1
1931 1 94 TYR H 1 110 GLY HA2 4.000 . 6.000 4.250 3.659 4.763 . 0 0 "[ . 1]" 1
1932 1 94 TYR H 1 111 THR H 2.900 . 4.000 3.090 2.392 3.413 . 0 0 "[ . 1]" 1
1933 1 94 TYR H 1 111 THR MG 3.800 . 5.600 2.120 1.903 2.414 0.097 1 0 "[ . 1]" 1
1934 1 94 TYR H 1 112 GLN HA 3.400 . 4.800 4.205 3.917 4.414 . 0 0 "[ . 1]" 1
1935 1 94 TYR H 1 113 VAL H 2.600 . 3.400 4.034 3.797 4.417 1.017 2 8 "[*+**** -*]" 1
1936 1 94 TYR H 1 113 VAL QG 3.500 . 5.000 3.485 2.969 3.866 . 0 0 "[ . 1]" 1
1937 1 94 TYR HA 1 95 TYR H 2.500 . 3.300 2.179 2.076 2.271 . 0 0 "[ . 1]" 1
1938 1 94 TYR QB 1 95 TYR H 3.200 . 4.500 2.891 2.573 3.193 . 0 0 "[ . 1]" 1
1939 1 94 TYR QB 1 111 THR H 3.800 . 5.600 3.954 3.501 4.245 . 0 0 "[ . 1]" 1
1940 1 94 TYR QB 1 111 THR MG 3.700 . 4.300 1.975 1.815 2.133 0.185 2 0 "[ . 1]" 1
1941 1 94 TYR QB 1 113 VAL MG1 4.000 . 6.000 4.989 4.422 5.204 . 0 0 "[ . 1]" 1
1942 1 94 TYR QB 1 113 VAL MG2 3.500 . 5.100 3.016 2.404 3.290 . 0 0 "[ . 1]" 1
1943 1 94 TYR QD 1 111 THR MG 3.900 . 5.800 3.102 2.816 3.424 . 0 0 "[ . 1]" 1
1944 1 94 TYR QD 1 113 VAL H 3.500 . 5.000 2.892 2.543 3.219 . 0 0 "[ . 1]" 1
1945 1 94 TYR QD 1 113 VAL MG1 3.200 . 4.500 3.906 3.400 4.203 . 0 0 "[ . 1]" 1
1946 1 94 TYR QD 1 113 VAL MG2 2.900 . 4.000 2.435 2.259 2.900 . 0 0 "[ . 1]" 1
1947 1 94 TYR QE 1 113 VAL H 3.500 . 5.000 3.058 2.594 3.520 . 0 0 "[ . 1]" 1
1948 1 94 TYR QE 1 113 VAL MG2 3.200 . 4.500 3.334 2.979 3.736 . 0 0 "[ . 1]" 1
1949 1 94 TYR HH 1 113 VAL HB 4.800 . 6.000 4.883 3.840 5.567 . 0 0 "[ . 1]" 1
1950 1 94 TYR HH 1 113 VAL MG1 5.700 . 6.000 4.235 3.058 5.318 . 0 0 "[ . 1]" 1
1951 1 94 TYR HH 1 115 VAL QG 4.000 . 6.000 5.500 4.688 6.193 0.193 8 0 "[ . 1]" 1
1952 1 95 TYR H 1 96 CYS H 4.500 . 6.000 4.431 4.394 4.500 . 0 0 "[ . 1]" 1
1953 1 95 TYR H 1 111 THR MG 3.500 . 5.000 4.385 4.187 4.518 . 0 0 "[ . 1]" 1
1954 1 95 TYR HA 1 96 CYS H 3.100 . 4.300 2.404 2.186 2.462 . 0 0 "[ . 1]" 1
1955 1 95 TYR HA 1 110 GLY HA2 3.600 . 5.200 3.522 2.936 4.173 . 0 0 "[ . 1]" 1
1956 1 95 TYR HB2 1 96 CYS H 4.500 . 6.000 3.313 3.041 3.804 . 0 0 "[ . 1]" 1
1957 1 95 TYR HB2 1 96 CYS H 3.000 . 4.200 3.304 3.035 3.799 . 0 0 "[ . 1]" 1
1958 1 95 TYR HB2 1 97 ALA MB 4.400 . 6.000 4.299 4.050 4.677 . 0 0 "[ . 1]" 1
1959 1 95 TYR HB3 1 96 CYS H 4.000 . 6.000 2.570 2.372 3.163 . 0 0 "[ . 1]" 1
1960 1 95 TYR QD 1 104 LEU QD 4.100 . 6.000 4.947 4.693 5.200 . 0 0 "[ . 1]" 1
1961 1 95 TYR QD 1 108 GLY H 4.000 . 6.000 4.376 3.960 4.667 . 0 0 "[ . 1]" 1
1962 1 95 TYR QD 1 110 GLY HA2 3.300 . 4.700 2.526 2.115 3.024 . 0 0 "[ . 1]" 1
1963 1 95 TYR QE 1 97 ALA MB 3.500 . 5.100 4.893 4.675 5.112 0.012 3 0 "[ . 1]" 1
1964 1 95 TYR QE 1 107 TRP HE1 3.400 . 4.800 10.617 10.272 10.924 6.124 4 10 [***+*-****] 1
1965 1 95 TYR QE 1 110 GLY H 2.800 . 3.800 4.137 3.182 4.888 1.088 4 5 "[-**+. * 1]" 1
1966 1 95 TYR QE 1 110 GLY HA2 3.500 . 5.000 2.784 2.112 3.518 . 0 0 "[ . 1]" 1
1967 1 96 CYS H 1 97 ALA H 3.800 . 5.600 4.343 3.988 4.470 . 0 0 "[ . 1]" 1
1968 1 96 CYS HA 1 97 ALA H 2.800 . 3.800 2.220 2.162 2.255 . 0 0 "[ . 1]" 1
1969 1 96 CYS HA 1 97 ALA MB 4.100 . 6.000 3.833 3.746 4.016 . 0 0 "[ . 1]" 1
1970 1 96 CYS HA 1 97 ALA MB 3.600 . 5.200 3.400 3.333 3.497 . 0 0 "[ . 1]" 1
1971 1 96 CYS HB2 1 97 ALA H 3.400 . 4.900 3.245 2.980 4.069 . 0 0 "[ . 1]" 1
1972 1 96 CYS HB3 1 97 ALA H 3.400 . 4.800 4.208 3.902 4.618 . 0 0 "[ . 1]" 1
1973 1 97 ALA H 1 98 LYS H 4.600 . 6.000 4.403 4.361 4.483 . 0 0 "[ . 1]" 1
1974 1 97 ALA H 1 104 LEU QD 3.900 . 5.800 2.550 1.866 3.251 0.134 9 0 "[ . 1]" 1
1975 1 97 ALA HA 1 98 LYS QB 4.900 . 6.000 4.077 4.030 4.172 . 0 0 "[ . 1]" 1
1976 1 97 ALA HA 1 106 ALA MB 4.700 . 6.000 5.505 5.222 5.811 . 0 0 "[ . 1]" 1
1977 1 97 ALA MB 1 98 LYS H 3.100 . 4.300 2.380 2.289 2.471 . 0 0 "[ . 1]" 1
1978 1 97 ALA MB 1 98 LYS QB 3.700 . 5.400 3.945 3.862 4.073 . 0 0 "[ . 1]" 1
1979 1 97 ALA MB 1 99 TYR QB 5.000 . 6.000 5.761 5.453 5.931 . 0 0 "[ . 1]" 1
1980 1 97 ALA MB 1 104 LEU HA 4.200 . 6.000 3.969 3.373 4.329 . 0 0 "[ . 1]" 1
1981 1 97 ALA MB 1 104 LEU QD 2.300 . 3.000 1.820 1.548 2.068 0.252 10 0 "[ . 1]" 1
1982 1 97 ALA MB 1 106 ALA H 4.300 . 6.000 1.955 1.770 2.195 0.230 6 0 "[ . 1]" 1
1983 1 97 ALA MB 1 106 ALA HA 3.500 . 5.000 1.997 1.894 2.452 0.106 4 0 "[ . 1]" 1
1984 1 97 ALA MB 1 106 ALA HA 3.800 . 5.600 1.996 1.892 2.446 0.108 4 0 "[ . 1]" 1
1985 1 97 ALA MB 1 107 TRP H 4.300 . 6.000 2.321 1.952 3.154 0.048 4 0 "[ . 1]" 1
1986 1 97 ALA MB 1 107 TRP HB2 3.800 . 5.600 3.661 2.286 4.328 . 0 0 "[ . 1]" 1
1987 1 97 ALA MB 1 107 TRP QB 3.200 . 4.500 3.539 2.268 4.150 . 0 0 "[ . 1]" 1
1988 1 97 ALA MB 1 107 TRP HB3 3.700 . 5.400 4.755 3.808 5.329 . 0 0 "[ . 1]" 1
1989 1 97 ALA MB 1 107 TRP HE3 3.700 . 5.400 3.324 3.034 3.610 . 0 0 "[ . 1]" 1
1990 1 98 LYS H 1 105 ASP QB 4.100 . 6.000 4.441 4.190 4.788 . 0 0 "[ . 1]" 1
1991 1 98 LYS H 1 106 ALA MB 4.100 . 6.000 6.397 6.233 6.723 0.723 3 2 "[ + .- 1]" 1
1992 1 98 LYS H 1 107 TRP QB 4.200 . 6.000 5.115 4.190 5.459 . 0 0 "[ . 1]" 1
1993 1 98 LYS HA 1 99 TYR H 2.600 . 3.400 2.230 2.156 2.312 . 0 0 "[ . 1]" 1
1994 1 98 LYS HA 1 99 TYR QB 4.400 . 6.000 4.004 3.951 4.047 . 0 0 "[ . 1]" 1
1995 1 98 LYS QB 1 99 TYR H 3.200 . 4.400 3.527 3.383 3.731 . 0 0 "[ . 1]" 1
1996 1 98 LYS QB 1 105 ASP HB3 3.400 . 4.800 4.118 3.776 4.554 . 0 0 "[ . 1]" 1
1997 1 98 LYS QB 1 106 ALA H 6.000 . 6.000 6.116 5.893 6.536 0.536 3 1 "[ + . 1]" 1
1998 1 98 LYS QE 1 106 ALA MB 3.600 . 5.300 8.885 7.917 9.978 4.678 4 10 [***+****-*] 1
1999 1 98 LYS QG 1 99 TYR H 4.000 . 6.000 2.374 2.139 2.619 . 0 0 "[ . 1]" 1
2000 1 98 LYS QG 1 108 GLY H 4.600 . 6.000 4.714 3.469 6.014 0.014 8 0 "[ . 1]" 1
2001 1 99 TYR H 1 103 ALA MB 4.900 . 6.000 4.793 4.566 5.229 . 0 0 "[ . 1]" 1
2002 1 99 TYR H 1 103 ALA H 5.200 . 6.000 8.032 7.113 8.771 2.771 4 10 [***+****-*] 1
2003 1 99 TYR H 1 104 LEU QD 4.100 . 6.000 2.302 1.890 2.720 0.110 8 0 "[ . 1]" 1
2004 1 99 TYR HA 1 100 SER H 2.700 . 3.600 2.243 2.126 2.483 . 0 0 "[ . 1]" 1
2005 1 99 TYR HA 1 104 LEU HA 3.000 . 4.100 3.347 2.731 3.767 . 0 0 "[ . 1]" 1
2006 1 99 TYR HA 1 104 LEU QD 4.000 . 6.000 2.287 2.049 2.421 . 0 0 "[ . 1]" 1
2007 1 99 TYR HA 1 105 ASP H 2.600 . 3.500 4.707 4.235 5.114 1.614 1 10 [+******-**] 1
2008 1 99 TYR QB 1 100 SER H 3.600 . 5.200 3.258 2.587 3.713 . 0 0 "[ . 1]" 1
2009 1 99 TYR QB 1 102 GLY HA2 5.700 . 6.000 5.681 5.208 6.037 0.037 6 0 "[ . 1]" 1
2010 1 99 TYR QB 1 103 ALA H 5.500 . 6.000 5.834 4.872 6.864 0.864 5 2 "[ -+ 1]" 1
2011 1 99 TYR QB 1 104 LEU HA 5.100 . 5.400 5.226 4.553 5.592 0.192 1 0 "[ . 1]" 1
2012 1 99 TYR QB 1 104 LEU QB 3.500 . 5.000 5.524 4.733 6.339 1.339 1 4 "[+ *- *]" 1
2013 1 99 TYR QB 1 104 LEU QD 3.700 . 5.400 3.375 2.983 3.496 . 0 0 "[ . 1]" 1
2014 1 99 TYR QD 1 100 SER H 4.600 . 6.000 3.399 2.396 4.172 . 0 0 "[ . 1]" 1
2015 1 99 TYR QD 1 103 ALA H 4.800 . 6.000 4.528 2.733 5.865 . 0 0 "[ . 1]" 1
2016 1 99 TYR QD 1 104 LEU QD 3.200 . 4.100 2.039 1.879 2.405 0.021 9 0 "[ . 1]" 1
2017 1 100 SER QB 1 103 ALA MB 3.700 . 5.400 5.221 4.150 5.651 0.251 1 0 "[ . 1]" 1
2018 1 100 SER QB 1 105 ASP HB2 3.200 . 4.500 5.102 4.254 5.966 1.466 3 7 "[**+ . ***-]" 1
2019 1 100 SER QB 1 103 ALA MB 3.100 . 4.300 4.530 4.043 5.203 0.903 6 2 "[ -.+ 1]" 1
2020 1 100 SER QB 1 105 ASP QB 3.300 . 4.700 4.994 4.188 5.862 1.162 3 2 "[ + . - 1]" 1
2021 1 101 GLY QA 1 103 ALA H 3.800 . 5.600 2.935 2.117 3.125 . 0 0 "[ . 1]" 1
2022 1 101 GLY QA 1 103 ALA MB 3.900 . 5.800 4.199 3.918 4.384 . 0 0 "[ . 1]" 1
2023 1 101 GLY QA 1 103 ALA MB 3.500 . 5.000 3.604 3.453 3.762 . 0 0 "[ . 1]" 1
2024 1 102 GLY H 1 105 ASP HB2 5.300 . 6.000 4.593 3.209 4.958 . 0 0 "[ . 1]" 1
2025 1 102 GLY HA2 1 103 ALA H 4.300 . 6.000 3.109 2.119 3.396 . 0 0 "[ . 1]" 1
2026 1 102 GLY HA3 1 103 ALA H 3.300 . 4.600 3.310 3.131 3.493 . 0 0 "[ . 1]" 1
2027 1 103 ALA HA 1 104 LEU H 2.600 . 3.400 2.368 2.157 3.341 . 0 0 "[ . 1]" 1
2028 1 103 ALA HA 1 104 LEU QB 4.700 . 6.000 4.023 3.953 4.127 . 0 0 "[ . 1]" 1
2029 1 103 ALA MB 1 104 LEU H 3.300 . 4.600 2.894 2.520 3.389 . 0 0 "[ . 1]" 1
2030 1 103 ALA MB 1 105 ASP QB 4.300 . 6.000 5.738 5.443 6.031 0.031 5 0 "[ . 1]" 1
2031 1 104 LEU H 1 105 ASP H 4.200 . 6.000 4.575 4.501 4.620 . 0 0 "[ . 1]" 1
2032 1 104 LEU HA 1 105 ASP H 2.200 . 2.800 2.327 2.257 2.477 . 0 0 "[ . 1]" 1
2033 1 104 LEU HA 1 105 ASP QB 4.400 . 6.000 3.961 3.923 4.005 . 0 0 "[ . 1]" 1
2034 1 104 LEU QB 1 105 ASP H 2.900 . 4.000 2.302 1.690 3.145 0.110 5 0 "[ . 1]" 1
2035 1 104 LEU QB 1 106 ALA H 3.200 . 4.500 2.307 1.662 3.514 0.238 3 0 "[ . 1]" 1
2036 1 104 LEU QB 1 105 ASP H 4.400 . 6.000 3.187 2.870 3.386 . 0 0 "[ . 1]" 1
2037 1 104 LEU QD 1 105 ASP H 3.200 . 4.500 2.350 1.911 2.824 0.089 8 0 "[ . 1]" 1
2038 1 104 LEU QD 1 106 ALA H 3.100 . 4.300 2.767 1.940 3.056 . 0 0 "[ . 1]" 1
2039 1 104 LEU QD 1 107 TRP QB 4.800 . 6.000 5.624 4.690 5.978 . 0 0 "[ . 1]" 1
2040 1 105 ASP H 1 106 ALA H 2.600 . 3.500 2.102 1.929 2.269 . 0 0 "[ . 1]" 1
2041 1 105 ASP H 1 106 ALA HA 3.700 . 5.400 4.331 4.135 4.507 . 0 0 "[ . 1]" 1
2042 1 105 ASP H 1 106 ALA MB 5.600 . 6.000 4.282 4.119 4.505 . 0 0 "[ . 1]" 1
2043 1 105 ASP QB 1 106 ALA H 3.100 . 4.300 2.856 2.748 3.206 . 0 0 "[ . 1]" 1
2044 1 105 ASP QB 1 106 ALA HA 4.800 . 6.000 4.466 4.384 4.805 . 0 0 "[ . 1]" 1
2045 1 105 ASP QB 1 106 ALA MB 3.100 . 4.300 4.248 4.197 4.334 0.034 9 0 "[ . 1]" 1
2046 1 106 ALA HA 1 107 TRP H 2.600 . 3.500 2.295 2.106 3.571 0.071 3 0 "[ . 1]" 1
2047 1 106 ALA HA 1 107 TRP QB 3.900 . 5.800 4.611 4.464 4.772 . 0 0 "[ . 1]" 1
2048 1 106 ALA MB 1 107 TRP H 3.000 . 4.100 3.249 2.293 3.580 . 0 0 "[ . 1]" 1
2049 1 106 ALA MB 1 107 TRP HA 4.000 . 6.000 4.105 3.956 4.260 . 0 0 "[ . 1]" 1
2050 1 106 ALA MB 1 107 TRP QB 4.200 . 6.000 4.996 4.462 5.202 . 0 0 "[ . 1]" 1
2051 1 107 TRP HA 1 108 GLY H 2.800 . 3.700 3.227 2.959 3.475 . 0 0 "[ . 1]" 1
2052 1 107 TRP QB 1 108 GLY H 3.100 . 4.300 2.545 1.709 3.483 0.191 3 0 "[ . 1]" 1
2053 1 108 GLY QA 1 109 GLN HB3 5.000 . 6.000 5.101 4.872 5.236 . 0 0 "[ . 1]" 1
2054 1 108 GLY HA2 1 109 GLN H 2.800 . 3.800 2.463 2.244 2.943 . 0 0 "[ . 1]" 1
2055 1 108 GLY HA2 1 109 GLN QG 4.000 . 6.000 4.640 4.097 5.264 . 0 0 "[ . 1]" 1
2056 1 108 GLY HA2 1 110 GLY H 5.000 . 6.000 4.898 4.002 6.004 0.004 7 0 "[ . 1]" 1
2057 1 108 GLY HA3 1 109 GLN H 3.000 . 4.100 2.674 2.189 2.959 . 0 0 "[ . 1]" 1
2058 1 108 GLY HA3 1 110 GLY H 5.000 . 6.000 4.342 3.244 6.074 0.074 9 0 "[ . 1]" 1
2059 1 109 GLN H 1 110 GLY H 3.900 . 5.800 3.087 2.157 4.563 . 0 0 "[ . 1]" 1
2060 1 109 GLN QB 1 110 GLY H 3.000 . 4.100 2.703 1.686 3.158 0.214 9 0 "[ . 1]" 1
2061 1 109 GLN HB2 1 110 GLY H 3.800 . 5.600 3.274 2.105 4.318 . 0 0 "[ . 1]" 1
2062 1 109 GLN HB3 1 110 GLY H 3.900 . 5.800 2.999 1.774 3.756 0.226 9 0 "[ . 1]" 1
2063 1 109 GLN QG 1 110 GLY H 4.100 . 6.000 4.270 3.656 4.687 . 0 0 "[ . 1]" 1
2064 1 110 GLY HA2 1 111 THR H 2.400 . 3.100 2.235 2.141 2.641 . 0 0 "[ . 1]" 1
2065 1 110 GLY HA2 1 111 THR MG 4.500 . 6.000 3.772 3.373 4.175 . 0 0 "[ . 1]" 1
2066 1 110 GLY HA3 1 111 THR H 2.800 . 3.800 3.424 3.317 3.579 . 0 0 "[ . 1]" 1
2067 1 111 THR H 1 113 VAL QG 4.800 . 6.000 4.914 4.675 5.211 . 0 0 "[ . 1]" 1
2068 1 111 THR HA 1 112 GLN H 2.700 . 3.600 2.162 2.132 2.190 . 0 0 "[ . 1]" 1
2069 1 111 THR HA 1 112 GLN QB 3.900 . 5.800 4.049 4.021 4.076 . 0 0 "[ . 1]" 1
2070 1 111 THR HB 1 112 GLN H 4.100 . 6.000 4.137 3.933 4.287 . 0 0 "[ . 1]" 1
2071 1 111 THR MG 1 112 GLN H 3.500 . 5.100 4.008 3.878 4.186 . 0 0 "[ . 1]" 1
2072 1 111 THR MG 1 112 GLN QG 5.000 . 6.000 5.941 5.517 6.218 0.218 2 0 "[ . 1]" 1
2073 1 111 THR MG 1 113 VAL QG 3.100 . 4.300 2.457 2.143 2.607 . 0 0 "[ . 1]" 1
2074 1 112 GLN HA 1 113 VAL H 2.500 . 3.300 2.154 2.115 2.191 . 0 0 "[ . 1]" 1
2075 1 112 GLN QB 1 113 VAL H 4.200 . 6.000 3.900 3.694 3.975 . 0 0 "[ . 1]" 1
2076 1 112 GLN HB3 1 114 THR H 3.800 . 5.600 4.342 3.718 4.844 . 0 0 "[ . 1]" 1
2077 1 112 GLN QG 1 113 VAL H 2.400 . 3.100 3.443 2.860 4.261 1.161 10 2 "[ . - +]" 1
2078 1 113 VAL H 1 114 THR H 4.300 . 6.000 4.404 4.281 4.496 . 0 0 "[ . 1]" 1
2079 1 113 VAL HA 1 114 THR H 2.100 . 2.700 2.184 2.146 2.225 . 0 0 "[ . 1]" 1
2080 1 113 VAL QG 1 114 THR H 2.900 . 3.900 2.526 2.204 2.875 . 0 0 "[ . 1]" 1
2081 1 113 VAL MG1 1 114 THR H 4.000 . 6.000 2.557 2.215 2.935 . 0 0 "[ . 1]" 1
2082 1 113 VAL MG2 1 114 THR H 4.000 . 6.000 4.037 3.962 4.128 . 0 0 "[ . 1]" 1
2083 1 114 THR HB 1 115 VAL H 4.000 . 6.000 3.540 2.908 3.985 . 0 0 "[ . 1]" 1
2084 1 114 THR HB 1 115 VAL QG 4.700 . 6.000 4.710 4.432 5.038 . 0 0 "[ . 1]" 1
2085 1 114 THR MG 1 115 VAL H 2.800 . 3.800 1.953 1.585 2.494 0.215 6 0 "[ . 1]" 1
2086 1 114 THR MG 1 115 VAL HB 4.000 . 6.000 4.406 4.023 4.906 . 0 0 "[ . 1]" 1
2087 1 114 THR MG 1 115 VAL QG 3.300 . 4.600 3.664 3.180 4.298 . 0 0 "[ . 1]" 1
2088 1 114 THR MG 1 116 SER H 3.900 . 5.800 4.357 3.408 5.544 . 0 0 "[ . 1]" 1
2089 1 114 THR MG 1 116 SER HB2 3.400 . 4.800 3.788 2.274 5.434 0.634 7 1 "[ . + 1]" 1
2090 1 114 THR MG 1 116 SER HB3 3.500 . 5.000 4.554 3.630 5.752 0.752 5 2 "[ + -1]" 1
2091 1 115 VAL HA 1 116 SER HB2 4.300 . 6.000 4.626 4.168 5.768 . 0 0 "[ . 1]" 1
2092 1 115 VAL QG 1 116 SER H 3.900 . 4.300 2.795 2.058 3.153 . 0 0 "[ . 1]" 1
2093 1 120 GLU HA 1 121 GLN H 4.400 . 6.000 2.829 2.207 3.527 . 0 0 "[ . 1]" 1
2094 1 123 LEU HA 1 124 ILE H 2.200 . 2.800 2.288 2.133 2.429 . 0 0 "[ . 1]" 1
2095 1 124 ILE HA 1 125 SER H 3.100 . 4.300 2.593 2.154 3.574 . 0 0 "[ . 1]" 1
2096 1 124 ILE HB 1 125 SER H 5.700 . 6.000 3.743 1.670 4.492 0.030 7 0 "[ . 1]" 1
2097 1 124 ILE MD 1 125 SER H 4.900 . 6.000 3.115 1.849 3.908 0.051 1 0 "[ . 1]" 1
2098 1 124 ILE MD 1 128 ASP HB2 3.300 . 4.700 3.588 2.180 4.753 0.053 2 0 "[ . 1]" 1
2099 1 124 ILE MD 1 126 GLU QG 4.000 . 6.000 4.093 2.434 5.018 . 0 0 "[ . 1]" 1
2100 1 124 ILE MD 1 128 ASP QB 4.400 . 6.000 3.631 3.106 4.219 . 0 0 "[ . 1]" 1
2101 1 124 ILE MG 1 126 GLU QG 5.300 . 6.000 4.480 2.864 6.079 0.079 2 0 "[ . 1]" 1
2102 1 124 ILE MG 1 128 ASP QB 4.200 . 6.000 3.705 2.001 5.219 . 0 0 "[ . 1]" 1
2103 1 126 GLU QG 1 129 LEU MD1 3.700 . 5.400 4.970 2.049 6.784 1.384 6 3 "[ *-+ 1]" 1
2104 1 127 GLU HA 1 128 ASP H 3.800 . 5.600 2.781 2.134 3.561 . 0 0 "[ . 1]" 1
2105 1 128 ASP HA 1 129 LEU H 3.800 . 5.600 2.708 2.134 3.556 . 0 0 "[ . 1]" 1
2106 1 128 ASP QB 1 129 LEU H 3.600 . 5.300 3.420 2.009 4.008 . 0 0 "[ . 1]" 1
2107 1 128 ASP HB3 1 129 LEU HG 5.000 . 6.000 4.956 3.811 6.008 0.008 9 0 "[ . 1]" 1
2108 1 129 LEU HA 1 130 ASN H 4.100 . 6.000 3.004 2.140 3.538 . 0 0 "[ . 1]" 1
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