NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
501046 |
2kyf   |
16955 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kyf
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 2386
_Distance_constraint_stats_list.Viol_count 3783
_Distance_constraint_stats_list.Viol_total 16407.594
_Distance_constraint_stats_list.Viol_max 2.135
_Distance_constraint_stats_list.Viol_rms 0.0998
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.2169
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LEU 18.929 0.999 8 11 "[ * *. +-1 ***** **]"
1 3 THR 4.588 0.281 7 0 "[ . 1 . 2]"
1 4 ASP 3.613 0.301 16 0 "[ . 1 . 2]"
1 5 ILE 15.719 0.558 2 2 "[ + . -1 . 2]"
1 6 LEU 13.985 0.757 17 9 "[ ** * * 1* *.*+- 2]"
1 7 SER 2.164 0.118 6 0 "[ . 1 . 2]"
1 8 PRO 2.365 0.139 17 0 "[ . 1 . 2]"
1 9 SER 0.100 0.037 17 0 "[ . 1 . 2]"
1 10 ASP 11.559 0.591 4 3 "[ +. * 1 - . 2]"
1 11 ILE 14.690 0.757 17 9 "[ ** * * 1* *.*+- 2]"
1 12 ALA 2.651 0.218 3 0 "[ . 1 . 2]"
1 13 ALA 21.713 1.917 16 11 "[ * ** * - * **+* *]"
1 14 ALA 20.312 0.591 4 3 "[ +. - 1 * . 2]"
1 15 LEU 12.365 0.926 15 11 "[ * *. **** * + *-*]"
1 16 ARG 23.873 1.917 16 11 "[ * ** * - * **+* *]"
1 17 ASP 5.956 0.578 20 1 "[ . 1 . +]"
1 18 CYS 4.727 0.601 6 1 "[ .+ 1 . 2]"
1 19 GLN 0.593 0.141 19 0 "[ . 1 . 2]"
1 20 ALA 0.059 0.029 4 0 "[ . 1 . 2]"
1 21 PRO 0.419 0.078 5 0 "[ . 1 . 2]"
1 22 ASP 0.261 0.039 6 0 "[ . 1 . 2]"
1 23 SER 3.502 0.601 6 1 "[ .+ 1 . 2]"
1 24 PHE 0.539 0.195 8 0 "[ . 1 . 2]"
1 25 SER 7.276 0.357 7 0 "[ . 1 . 2]"
1 26 PRO 27.183 1.074 16 15 "[* **-***** ** .+** *]"
1 27 LYS 17.468 0.859 10 5 "[ *- + * . *]"
1 28 LYS 26.857 1.294 2 13 "[ + **** ** -*** * *]"
1 29 PHE 15.167 0.926 15 11 "[ * *. **** * + *-*]"
1 30 PHE 24.756 1.074 16 17 "[* ***-**** ****+** *]"
1 31 GLN 20.344 1.294 2 13 "[ + -*** ** **** * *]"
1 32 ILE 17.636 0.374 18 0 "[ . 1 . 2]"
1 33 SER 4.622 0.560 4 3 "[ +. - 1 * . 2]"
1 34 GLY 14.789 0.937 15 9 "[ * *.****1 +-* 2]"
1 35 MET 5.195 0.408 19 0 "[ . 1 . 2]"
1 36 SER 36.273 1.478 1 18 "[+****-****** ***** *]"
1 37 LYS 36.021 1.478 1 18 "[+*********** **-** *]"
1 38 LYS 1.115 0.130 12 0 "[ . 1 . 2]"
1 39 SER 11.158 0.741 16 9 "[** . * * **+ * -]"
1 40 SER 6.386 0.648 9 2 "[ -. +1 . 2]"
1 41 SER 4.263 0.586 1 1 "[+ . 1 . 2]"
1 42 GLN 25.181 0.741 16 11 "[** .** * * **+ * -]"
1 43 LEU 17.227 0.571 1 3 "[+ .-* 1 . 2]"
1 44 LYS 5.980 0.586 1 1 "[+ . 1 . 2]"
1 45 GLU 13.729 0.999 8 7 "[ . + 1 -**** *2]"
1 46 ILE 14.748 0.866 4 5 "[ +* 1- . **]"
1 47 PHE 14.803 0.603 5 2 "[ + 1 - 2]"
1 48 ARG 4.547 1.001 18 4 "[ * -. 1 .* + 2]"
1 49 ILE 12.756 1.001 18 7 "[ * ** 1- .* +*2]"
1 50 LEU 17.270 0.603 5 2 "[ + 1 - 2]"
1 51 ASP 8.007 1.462 12 6 "[* .* - +**. 2]"
1 52 ASN 47.941 1.224 1 20 [+***************-***]
1 53 ASP 14.502 0.507 15 2 "[ . 1- + 2]"
1 54 GLN 32.536 1.462 12 14 "[*** .*** -*+***** 2]"
1 55 SER 59.322 1.224 1 20 [+*********-*********]
1 56 GLY 19.533 0.520 15 1 "[ . 1 + 2]"
1 57 PHE 39.864 1.613 8 20 [*******+******-*****]
1 58 ILE 7.378 0.471 13 0 "[ . 1 . 2]"
1 59 GLU 24.132 0.523 13 3 "[ . 1 + - *2]"
1 60 GLU 11.027 0.523 13 1 "[ . 1 + . 2]"
1 61 ASP 7.006 0.428 8 0 "[ . 1 . 2]"
1 62 GLU 6.917 0.471 13 0 "[ . 1 . 2]"
1 63 LEU 15.574 0.686 2 7 "[ + *. 1* *. -* *]"
1 64 LYS 46.849 1.090 5 16 "[****+****** **.* **]"
1 65 TYR 37.169 1.090 5 17 "[****+****** **** -*]"
1 66 PHE 0.951 0.378 8 0 "[ . 1 . 2]"
1 67 LEU 2.939 0.231 19 0 "[ . 1 . 2]"
1 68 GLN 24.598 0.953 5 9 "[* * +*** 1 . *-*2]"
1 69 ARG 26.487 1.119 5 8 "[* +*** 1* * -2]"
1 70 PHE 21.162 1.012 19 9 "[* * **** 1 . *-+2]"
1 71 GLU 0.144 0.121 11 0 "[ . 1 . 2]"
1 72 SER 1.414 0.186 15 0 "[ . 1 . 2]"
1 73 GLY 0.009 0.009 15 0 "[ . 1 . 2]"
1 74 ALA 3.311 0.184 10 0 "[ . 1 . 2]"
1 75 ARG 9.339 0.491 5 0 "[ . 1 . 2]"
1 76 VAL 16.405 0.541 20 5 "[ -** 1* . +]"
1 77 LEU 21.001 0.874 8 14 "[ ***-* +*** **** *2]"
1 78 THR 6.554 0.272 9 0 "[ . 1 . 2]"
1 79 ALA 0.014 0.009 8 0 "[ . 1 . 2]"
1 80 SER 0.921 0.132 10 0 "[ . 1 . 2]"
1 81 GLU 6.479 0.615 19 6 "[ * -* ** . +2]"
1 82 THR 6.524 0.220 17 0 "[ . 1 . 2]"
1 83 LYS 7.535 0.467 6 0 "[ . 1 . 2]"
1 84 THR 10.090 0.467 6 0 "[ . 1 . 2]"
1 85 PHE 7.235 0.293 20 0 "[ . 1 . 2]"
1 86 LEU 17.172 0.686 2 7 "[ + *. 1* *. -* *]"
1 87 ALA 6.422 0.354 8 0 "[ . 1 . 2]"
1 88 ALA 13.742 0.520 9 1 "[ . +1 . 2]"
1 89 ALA 5.223 0.350 16 0 "[ . 1 . 2]"
1 90 ASP 14.385 0.652 14 3 "[ . 1 +. - *]"
1 91 HIS 19.506 0.616 14 4 "[ . -1 +. * *]"
1 92 ASP 31.250 1.769 20 20 [****-**************+]
1 93 GLY 18.912 0.652 14 3 "[ . 1 +. - *]"
1 94 ASP 24.188 1.101 17 17 "[ ***.*** *******+***]"
1 95 GLY 44.140 1.769 20 20 [****************-**+]
1 96 LYS 61.823 1.613 8 20 [*******+******-*****]
1 97 ILE 18.073 0.728 1 9 "[+ - .*** * * . ** 2]"
1 98 GLY 0.121 0.080 1 0 "[ . 1 . 2]"
1 99 ALA 2.153 0.455 5 0 "[ . 1 . 2]"
1 100 GLU 4.610 0.375 19 0 "[ . 1 . 2]"
1 101 GLU 5.833 0.375 19 0 "[ . 1 . 2]"
1 102 PHE 13.732 0.728 1 9 "[+ - .*** * * . ** 2]"
1 103 GLN 56.933 2.135 5 20 [****+*************-*]
1 104 GLU 50.818 2.135 5 20 [****+*************-*]
1 105 MET 3.527 0.211 7 0 "[ . 1 . 2]"
1 106 VAL 14.921 0.710 19 2 "[ . - 1 . +2]"
1 107 GLN 23.169 0.710 19 4 "[ *. -*1 . +2]"
1 108 SER 0.482 0.113 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU HA 1 2 LEU QD . . 3.300 2.162 1.944 3.261 . 0 0 "[ . 1 . 2]" 1
2 1 2 LEU HA 1 4 ASP H . . 3.920 3.871 3.771 4.030 0.110 11 0 "[ . 1 . 2]" 1
3 1 2 LEU HA 1 5 ILE H . . 5.500 5.524 5.312 5.788 0.288 11 0 "[ . 1 . 2]" 1
4 1 2 LEU QB 1 4 ASP H . . 3.170 2.761 2.297 3.212 0.042 2 0 "[ . 1 . 2]" 1
5 1 2 LEU QB 1 5 ILE H . . 3.550 3.609 2.886 4.108 0.558 2 2 "[ + . -1 . 2]" 1
6 1 2 LEU QB 1 6 LEU H . . 5.340 3.933 3.449 4.863 . 0 0 "[ . 1 . 2]" 1
7 1 2 LEU HB2 1 3 THR H . . 3.880 2.841 1.980 3.431 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU HB3 1 3 THR H . . 3.880 2.626 1.830 3.929 0.049 11 0 "[ . 1 . 2]" 1
9 1 2 LEU QD 1 3 THR H . . 4.840 3.071 2.575 3.500 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU QD 1 5 ILE H . . 5.500 3.410 1.911 4.609 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU QD 1 5 ILE MD . . 5.500 2.325 1.626 3.427 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU QD 1 45 GLU QB . . 3.770 3.638 2.369 4.769 0.999 8 7 "[ . + 1 -**** *2]" 1
13 1 2 LEU QD 1 45 GLU QG . . 5.340 5.019 3.520 6.278 0.938 16 6 "[ . * 1 -**+ *2]" 1
14 1 2 LEU QD 1 46 ILE HA . . 5.310 2.636 2.162 2.961 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU QD 1 46 ILE QG . . 5.020 2.159 1.693 2.978 . 0 0 "[ . 1 . 2]" 1
16 1 2 LEU QD 1 46 ILE MG . . 4.390 2.742 1.996 3.427 . 0 0 "[ . 1 . 2]" 1
17 1 2 LEU QD 1 49 ILE HB . . 5.500 3.359 2.469 3.948 . 0 0 "[ . 1 . 2]" 1
18 1 2 LEU QD 1 49 ILE HG12 . . 5.500 3.253 2.789 3.822 . 0 0 "[ . 1 . 2]" 1
19 1 2 LEU HG 1 5 ILE MD . . 5.500 2.609 1.919 3.772 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HG 1 46 ILE MD . . 5.490 4.733 3.486 6.356 0.866 4 2 "[ +. 1 . -]" 1
21 1 3 THR H 1 3 THR HB . . 4.130 4.048 4.028 4.067 . 0 0 "[ . 1 . 2]" 1
22 1 3 THR H 1 3 THR MG . . 3.570 3.113 2.833 3.313 . 0 0 "[ . 1 . 2]" 1
23 1 3 THR H 1 4 ASP H . . 2.910 2.774 2.700 2.825 . 0 0 "[ . 1 . 2]" 1
24 1 3 THR H 1 5 ILE H . . 3.950 3.895 3.696 4.022 0.072 11 0 "[ . 1 . 2]" 1
25 1 3 THR H 1 5 ILE HB . . 5.500 5.525 5.173 5.687 0.187 10 0 "[ . 1 . 2]" 1
26 1 3 THR H 1 11 ILE MD . . 4.580 3.472 3.025 3.855 . 0 0 "[ . 1 . 2]" 1
27 1 3 THR HA 1 3 THR MG . . 3.060 1.960 1.910 2.073 . 0 0 "[ . 1 . 2]" 1
28 1 3 THR HA 1 5 ILE H . . 5.500 3.644 3.561 3.840 . 0 0 "[ . 1 . 2]" 1
29 1 3 THR HA 1 8 PRO HB3 . . 5.500 5.308 5.215 5.420 . 0 0 "[ . 1 . 2]" 1
30 1 3 THR HA 1 8 PRO HD3 . . 5.210 4.198 3.991 4.450 . 0 0 "[ . 1 . 2]" 1
31 1 3 THR MG 1 5 ILE H . . 5.500 5.154 5.029 5.282 . 0 0 "[ . 1 . 2]" 1
32 1 3 THR MG 1 8 PRO HB3 . . 4.280 3.134 2.846 3.394 . 0 0 "[ . 1 . 2]" 1
33 1 3 THR MG 1 8 PRO HD3 . . 5.400 2.826 2.180 3.687 . 0 0 "[ . 1 . 2]" 1
34 1 3 THR MG 1 8 PRO HG3 . . 4.540 3.628 3.198 4.202 . 0 0 "[ . 1 . 2]" 1
35 1 3 THR MG 1 11 ILE MD . . 3.720 3.802 3.453 4.001 0.281 7 0 "[ . 1 . 2]" 1
36 1 4 ASP H 1 4 ASP HB2 . . 3.670 2.581 2.402 2.790 . 0 0 "[ . 1 . 2]" 1
37 1 4 ASP H 1 4 ASP QB . . 3.170 2.469 2.349 2.561 . 0 0 "[ . 1 . 2]" 1
38 1 4 ASP H 1 4 ASP HB3 . . 3.670 3.277 2.904 3.647 . 0 0 "[ . 1 . 2]" 1
39 1 4 ASP H 1 5 ILE H . . 2.700 1.905 1.845 2.039 . 0 0 "[ . 1 . 2]" 1
40 1 4 ASP H 1 5 ILE HA . . 4.930 4.636 4.560 4.769 . 0 0 "[ . 1 . 2]" 1
41 1 4 ASP H 1 5 ILE HB . . 4.330 4.170 4.000 4.376 0.046 4 0 "[ . 1 . 2]" 1
42 1 4 ASP H 1 5 ILE MD . . 3.630 2.686 2.534 3.079 . 0 0 "[ . 1 . 2]" 1
43 1 4 ASP H 1 5 ILE HG12 . . 5.500 5.529 5.352 5.731 0.231 11 0 "[ . 1 . 2]" 1
44 1 4 ASP H 1 6 LEU H . . 3.570 3.576 3.274 3.871 0.301 16 0 "[ . 1 . 2]" 1
45 1 4 ASP HA 1 5 ILE H . . 3.510 3.302 3.253 3.364 . 0 0 "[ . 1 . 2]" 1
46 1 4 ASP HA 1 5 ILE HA . . 5.500 4.475 4.454 4.524 . 0 0 "[ . 1 . 2]" 1
47 1 4 ASP QB 1 5 ILE MD . . 4.440 2.196 1.886 2.918 . 0 0 "[ . 1 . 2]" 1
48 1 4 ASP QB 1 5 ILE HG12 . . 4.680 4.410 4.324 4.567 . 0 0 "[ . 1 . 2]" 1
49 1 4 ASP QB 1 5 ILE HG13 . . 3.560 3.275 2.829 3.382 . 0 0 "[ . 1 . 2]" 1
50 1 4 ASP QB 1 6 LEU H . . 5.340 5.079 4.898 5.346 0.006 16 0 "[ . 1 . 2]" 1
51 1 5 ILE H 1 5 ILE HB . . 3.180 2.794 2.687 2.861 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE H 1 5 ILE MD . . 4.050 2.415 2.166 2.614 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE H 1 5 ILE HG12 . . 4.630 4.485 4.252 4.596 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE H 1 5 ILE HG13 . . 3.960 3.556 2.984 3.708 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE H 1 6 LEU H . . 2.950 2.140 1.864 2.483 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE H 1 11 ILE MD . . 5.500 5.001 4.609 5.123 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE HA 1 5 ILE MD . . 4.790 3.419 3.329 3.733 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE HA 1 5 ILE HG12 . . 3.560 3.508 3.305 3.561 0.001 18 0 "[ . 1 . 2]" 1
59 1 5 ILE HA 1 5 ILE HG13 . . 2.990 2.382 2.311 2.490 . 0 0 "[ . 1 . 2]" 1
60 1 5 ILE HA 1 5 ILE MG . . 2.770 2.419 2.378 2.457 . 0 0 "[ . 1 . 2]" 1
61 1 5 ILE HA 1 42 GLN HE21 . . 4.790 2.385 2.138 2.712 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE HA 1 42 GLN HE22 . . 5.270 3.095 2.923 3.509 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE HB 1 5 ILE MD . . 3.630 2.242 2.187 2.280 . 0 0 "[ . 1 . 2]" 1
64 1 5 ILE HB 1 6 LEU H . . 2.850 2.353 1.960 2.692 . 0 0 "[ . 1 . 2]" 1
65 1 5 ILE HB 1 42 GLN HE22 . . 5.500 5.326 5.169 5.511 0.011 17 0 "[ . 1 . 2]" 1
66 1 5 ILE HB 1 43 LEU HA . . 5.500 5.341 5.119 5.552 0.052 17 0 "[ . 1 . 2]" 1
67 1 5 ILE MD 1 5 ILE HG13 . . 2.400 2.099 2.080 2.116 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE MD 1 6 LEU H . . 3.990 3.424 3.218 3.584 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE MD 1 42 GLN HB3 . . 5.160 4.646 4.559 4.712 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE MD 1 42 GLN HE21 . . 5.500 4.412 4.273 4.540 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE MD 1 43 LEU HA . . 5.500 4.589 4.055 5.156 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE MD 1 45 GLU QB . . 4.450 2.198 1.883 2.751 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE MD 1 45 GLU QG . . 4.890 3.130 2.004 3.595 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE MD 1 46 ILE H . . 4.310 3.314 2.988 4.338 0.028 17 0 "[ . 1 . 2]" 1
75 1 5 ILE MD 1 46 ILE HA . . 5.500 3.717 3.094 5.066 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HG12 1 5 ILE MG . . 2.900 2.180 2.036 2.228 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HG12 1 6 LEU H . . 5.270 4.906 4.604 5.165 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HG12 1 42 GLN H . . 5.500 5.855 5.808 5.911 0.411 10 0 "[ . 1 . 2]" 1
79 1 5 ILE HG12 1 42 GLN HB3 . . 4.810 3.139 3.033 3.242 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE HG12 1 42 GLN HE21 . . 5.100 3.475 3.266 3.582 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE HG12 1 42 GLN HE22 . . 5.350 5.078 4.949 5.255 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE HG12 1 43 LEU HA . . 4.650 3.995 3.670 4.610 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE HG12 1 45 GLU H . . 5.260 4.313 4.019 4.716 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE HG12 1 45 GLU QG . . 5.260 3.464 1.938 3.963 . 0 0 "[ . 1 . 2]" 1
85 1 5 ILE HG13 1 5 ILE MG . . 3.200 2.662 2.588 2.881 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE HG13 1 42 GLN HE21 . . 4.430 2.943 2.710 3.414 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE HG13 1 42 GLN HE22 . . 5.280 4.493 4.212 4.959 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE HG13 1 45 GLU QG . . 5.340 3.590 2.787 3.966 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE MG 1 6 LEU H . . 4.130 3.303 2.915 3.614 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE MG 1 35 MET HA . . 5.420 3.813 3.517 4.110 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE MG 1 38 LYS HA . . 5.500 4.543 4.308 4.737 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE MG 1 39 SER H . . 5.500 4.558 4.144 4.986 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE MG 1 42 GLN H . . 5.500 5.006 4.919 5.065 . 0 0 "[ . 1 . 2]" 1
94 1 5 ILE MG 1 42 GLN HA . . 4.530 3.888 3.731 3.955 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE MG 1 42 GLN HB2 . . 5.500 3.455 3.317 3.588 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE MG 1 42 GLN HB3 . . 3.230 1.956 1.906 2.016 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE MG 1 42 GLN HE21 . . 4.250 1.918 1.877 1.998 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE MG 1 42 GLN HE22 . . 3.830 2.827 2.692 2.962 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE MG 1 42 GLN QG . . 3.570 3.276 3.181 3.318 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE MG 1 43 LEU H . . 5.500 4.389 4.123 4.672 . 0 0 "[ . 1 . 2]" 1
101 1 5 ILE MG 1 43 LEU HA . . 4.080 3.543 3.334 3.734 . 0 0 "[ . 1 . 2]" 1
102 1 6 LEU H 1 6 LEU HB2 . . 3.240 2.455 2.237 2.654 . 0 0 "[ . 1 . 2]" 1
103 1 6 LEU H 1 6 LEU MD1 . . 4.250 3.770 3.595 3.997 . 0 0 "[ . 1 . 2]" 1
104 1 6 LEU H 1 6 LEU HG . . 4.550 3.343 2.959 3.836 . 0 0 "[ . 1 . 2]" 1
105 1 6 LEU H 1 7 SER H . . 4.800 4.503 4.432 4.567 . 0 0 "[ . 1 . 2]" 1
106 1 6 LEU H 1 38 LYS HD2 . . 5.500 5.032 4.641 5.441 . 0 0 "[ . 1 . 2]" 1
107 1 6 LEU HA 1 7 SER H . . 3.230 2.351 2.326 2.361 . 0 0 "[ . 1 . 2]" 1
108 1 6 LEU HA 1 7 SER HB3 . . 5.500 5.549 5.518 5.606 0.106 16 0 "[ . 1 . 2]" 1
109 1 6 LEU HB2 1 11 ILE HA . . 5.500 5.955 5.652 6.257 0.757 17 9 "[ ** * * 1* *.*+- 2]" 1
110 1 6 LEU HB2 1 11 ILE MD . . 4.050 2.648 2.292 2.886 . 0 0 "[ . 1 . 2]" 1
111 1 6 LEU HB2 1 11 ILE QG . . 4.200 3.344 3.098 3.585 . 0 0 "[ . 1 . 2]" 1
112 1 6 LEU HB3 1 6 LEU MD2 . . 3.100 2.079 1.976 2.223 . 0 0 "[ . 1 . 2]" 1
113 1 6 LEU HB3 1 7 SER H . . 2.700 2.564 2.514 2.661 . 0 0 "[ . 1 . 2]" 1
114 1 6 LEU HB3 1 7 SER HB2 . . 5.500 4.520 4.459 4.658 . 0 0 "[ . 1 . 2]" 1
115 1 6 LEU HB3 1 7 SER HB3 . . 5.310 5.186 5.146 5.267 . 0 0 "[ . 1 . 2]" 1
116 1 6 LEU HB3 1 11 ILE HA . . 5.500 5.339 5.204 5.510 0.010 14 0 "[ . 1 . 2]" 1
117 1 6 LEU HB3 1 11 ILE QG . . 4.730 3.001 2.831 3.175 . 0 0 "[ . 1 . 2]" 1
118 1 6 LEU MD1 1 7 SER H . . 5.500 4.666 4.559 4.757 . 0 0 "[ . 1 . 2]" 1
119 1 6 LEU MD1 1 34 GLY H . . 4.770 3.203 3.007 3.262 . 0 0 "[ . 1 . 2]" 1
120 1 6 LEU MD1 1 35 MET ME . . 4.980 3.375 3.048 3.630 . 0 0 "[ . 1 . 2]" 1
121 1 6 LEU MD1 1 35 MET HG2 . . 3.970 1.936 1.878 2.034 . 0 0 "[ . 1 . 2]" 1
122 1 6 LEU MD1 1 35 MET HG3 . . 4.110 2.617 2.012 3.040 . 0 0 "[ . 1 . 2]" 1
123 1 6 LEU MD2 1 7 SER H . . 4.120 2.851 2.541 3.110 . 0 0 "[ . 1 . 2]" 1
124 1 6 LEU MD2 1 10 ASP HB2 . . 5.500 3.544 2.961 3.905 . 0 0 "[ . 1 . 2]" 1
125 1 6 LEU MD2 1 10 ASP HB3 . . 5.500 3.575 3.270 4.030 . 0 0 "[ . 1 . 2]" 1
126 1 6 LEU MD2 1 33 SER HA . . 5.500 3.473 3.257 3.660 . 0 0 "[ . 1 . 2]" 1
127 1 6 LEU MD2 1 33 SER QB . . 5.160 2.960 2.597 3.379 . 0 0 "[ . 1 . 2]" 1
128 1 6 LEU MD2 1 34 GLY H . . 4.410 2.986 2.805 3.174 . 0 0 "[ . 1 . 2]" 1
129 1 6 LEU MD2 1 34 GLY HA2 . . 4.680 3.436 3.356 3.530 . 0 0 "[ . 1 . 2]" 1
130 1 6 LEU MD2 1 34 GLY HA3 . . 2.910 2.314 2.151 2.512 . 0 0 "[ . 1 . 2]" 1
131 1 6 LEU MD2 1 35 MET H . . 4.040 3.264 3.012 3.608 . 0 0 "[ . 1 . 2]" 1
132 1 6 LEU MD2 1 35 MET HA . . 4.050 3.304 2.956 3.604 . 0 0 "[ . 1 . 2]" 1
133 1 6 LEU MD2 1 35 MET HG2 . . 4.540 3.807 3.403 4.113 . 0 0 "[ . 1 . 2]" 1
134 1 6 LEU MD2 1 35 MET HG3 . . 4.720 3.850 3.415 4.246 . 0 0 "[ . 1 . 2]" 1
135 1 6 LEU MD2 1 37 LYS H . . 5.500 4.781 4.500 5.121 . 0 0 "[ . 1 . 2]" 1
136 1 6 LEU MD2 1 38 LYS HE2 . . 5.500 3.574 3.174 3.869 . 0 0 "[ . 1 . 2]" 1
137 1 6 LEU MD2 1 38 LYS HE3 . . 3.480 2.418 2.168 2.753 . 0 0 "[ . 1 . 2]" 1
138 1 6 LEU MD2 1 38 LYS HG3 . . 3.950 3.677 3.176 4.080 0.130 12 0 "[ . 1 . 2]" 1
139 1 6 LEU HG 1 34 GLY H . . 5.500 5.569 5.494 5.666 0.166 7 0 "[ . 1 . 2]" 1
140 1 7 SER H 1 7 SER HB2 . . 2.830 2.112 2.104 2.125 . 0 0 "[ . 1 . 2]" 1
141 1 7 SER H 1 7 SER HB3 . . 3.280 3.243 3.226 3.308 0.028 16 0 "[ . 1 . 2]" 1
142 1 7 SER H 1 8 PRO HD3 . . 5.300 5.091 5.085 5.095 . 0 0 "[ . 1 . 2]" 1
143 1 7 SER H 1 10 ASP H . . 4.680 4.598 4.380 4.673 . 0 0 "[ . 1 . 2]" 1
144 1 7 SER H 1 10 ASP HB2 . . 4.580 3.242 3.090 3.384 . 0 0 "[ . 1 . 2]" 1
145 1 7 SER H 1 10 ASP HB3 . . 4.580 4.553 4.353 4.668 0.088 17 0 "[ . 1 . 2]" 1
146 1 7 SER H 1 11 ILE H . . 5.210 5.127 4.994 5.222 0.012 14 0 "[ . 1 . 2]" 1
147 1 7 SER H 1 11 ILE MD . . 5.220 4.159 3.923 4.581 . 0 0 "[ . 1 . 2]" 1
148 1 7 SER HB2 1 9 SER H . . 4.830 4.762 4.259 4.867 0.037 17 0 "[ . 1 . 2]" 1
149 1 7 SER HB2 1 10 ASP H . . 4.250 3.824 3.681 3.976 . 0 0 "[ . 1 . 2]" 1
150 1 7 SER HB2 1 10 ASP QB . . 3.630 3.413 3.319 3.589 . 0 0 "[ . 1 . 2]" 1
151 1 7 SER HB2 1 11 ILE H . . 5.370 5.399 5.301 5.488 0.118 6 0 "[ . 1 . 2]" 1
152 1 7 SER HB3 1 10 ASP H . . 3.090 2.598 2.544 2.699 . 0 0 "[ . 1 . 2]" 1
153 1 7 SER HB3 1 10 ASP QB . . 3.590 3.313 3.218 3.446 . 0 0 "[ . 1 . 2]" 1
154 1 7 SER HB3 1 11 ILE H . . 4.540 4.452 4.314 4.556 0.016 6 0 "[ . 1 . 2]" 1
155 1 8 PRO HA 1 10 ASP H . . 5.010 4.476 3.885 4.681 . 0 0 "[ . 1 . 2]" 1
156 1 8 PRO HA 1 11 ILE H . . 3.840 3.477 3.290 3.613 . 0 0 "[ . 1 . 2]" 1
157 1 8 PRO HA 1 11 ILE HA . . 5.500 5.525 5.378 5.639 0.139 17 0 "[ . 1 . 2]" 1
158 1 8 PRO HA 1 11 ILE HB . . 2.900 2.813 2.667 2.912 0.012 17 0 "[ . 1 . 2]" 1
159 1 8 PRO HA 1 11 ILE MD . . 2.830 2.238 2.104 2.752 . 0 0 "[ . 1 . 2]" 1
160 1 8 PRO HA 1 11 ILE QG . . 4.690 3.897 3.741 4.119 . 0 0 "[ . 1 . 2]" 1
161 1 8 PRO HA 1 11 ILE MG . . 5.200 4.164 4.010 4.281 . 0 0 "[ . 1 . 2]" 1
162 1 8 PRO HA 1 12 ALA H . . 3.880 3.872 3.782 3.928 0.048 13 0 "[ . 1 . 2]" 1
163 1 8 PRO HA 1 12 ALA MB . . 5.500 4.433 4.166 4.520 . 0 0 "[ . 1 . 2]" 1
164 1 8 PRO HB2 1 9 SER H . . 3.850 2.932 2.880 3.355 . 0 0 "[ . 1 . 2]" 1
165 1 8 PRO HB2 1 11 ILE MD . . 5.500 4.699 4.573 5.175 . 0 0 "[ . 1 . 2]" 1
166 1 8 PRO HB3 1 11 ILE HB . . 5.260 4.951 4.796 5.072 . 0 0 "[ . 1 . 2]" 1
167 1 8 PRO HB3 1 11 ILE MD . . 4.570 4.039 3.925 4.426 . 0 0 "[ . 1 . 2]" 1
168 1 8 PRO HB3 1 12 ALA H . . 5.500 5.573 5.528 5.616 0.116 15 0 "[ . 1 . 2]" 1
169 1 8 PRO HD3 1 11 ILE MD . . 4.820 4.461 4.376 4.768 . 0 0 "[ . 1 . 2]" 1
170 1 9 SER H 1 10 ASP H . . 4.080 2.795 2.624 2.849 . 0 0 "[ . 1 . 2]" 1
171 1 9 SER H 1 12 ALA MB . . 5.500 4.560 4.508 4.744 . 0 0 "[ . 1 . 2]" 1
172 1 9 SER HA 1 12 ALA MB . . 3.740 2.764 2.628 2.976 . 0 0 "[ . 1 . 2]" 1
173 1 9 SER HA 1 13 ALA H . . 4.220 4.115 3.781 4.255 0.035 15 0 "[ . 1 . 2]" 1
174 1 9 SER QB 1 10 ASP H . . 4.070 3.123 2.506 3.650 . 0 0 "[ . 1 . 2]" 1
175 1 9 SER HB2 1 10 ASP H . . 4.800 3.326 2.536 4.098 . 0 0 "[ . 1 . 2]" 1
176 1 9 SER HB2 1 12 ALA MB . . 5.500 4.867 4.708 5.117 . 0 0 "[ . 1 . 2]" 1
177 1 9 SER HB3 1 10 ASP H . . 4.800 3.947 3.834 4.097 . 0 0 "[ . 1 . 2]" 1
178 1 9 SER HB3 1 12 ALA MB . . 5.500 4.747 4.473 5.041 . 0 0 "[ . 1 . 2]" 1
179 1 10 ASP H 1 10 ASP HB2 . . 3.640 2.419 2.346 2.603 . 0 0 "[ . 1 . 2]" 1
180 1 10 ASP H 1 10 ASP QB . . 2.920 2.382 2.316 2.545 . 0 0 "[ . 1 . 2]" 1
181 1 10 ASP H 1 10 ASP HB3 . . 3.640 3.583 3.567 3.605 . 0 0 "[ . 1 . 2]" 1
182 1 10 ASP H 1 11 ILE H . . 2.720 2.643 2.345 2.760 0.040 17 0 "[ . 1 . 2]" 1
183 1 10 ASP H 1 12 ALA H . . 4.670 4.382 3.864 4.466 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASP H 1 12 ALA MB . . 5.500 4.956 4.670 5.047 . 0 0 "[ . 1 . 2]" 1
185 1 10 ASP H 1 13 ALA H . . 4.940 4.822 4.607 4.894 . 0 0 "[ . 1 . 2]" 1
186 1 10 ASP H 1 13 ALA MB . . 5.500 4.603 4.350 4.729 . 0 0 "[ . 1 . 2]" 1
187 1 10 ASP H 1 33 SER HA . . 5.500 5.273 5.088 5.374 . 0 0 "[ . 1 . 2]" 1
188 1 10 ASP HA 1 12 ALA H . . 5.500 4.908 4.631 4.979 . 0 0 "[ . 1 . 2]" 1
189 1 10 ASP HA 1 13 ALA H . . 4.160 3.804 3.715 3.918 . 0 0 "[ . 1 . 2]" 1
190 1 10 ASP HA 1 13 ALA MB . . 3.180 2.755 2.557 2.864 . 0 0 "[ . 1 . 2]" 1
191 1 10 ASP HA 1 14 ALA H . . 4.450 4.770 4.488 5.041 0.591 4 3 "[ +. * 1 - . 2]" 1
192 1 10 ASP HA 1 32 ILE MG . . 4.260 3.669 3.451 3.812 . 0 0 "[ . 1 . 2]" 1
193 1 10 ASP HA 1 33 SER HA . . 5.480 3.834 3.494 4.012 . 0 0 "[ . 1 . 2]" 1
194 1 10 ASP QB 1 11 ILE H . . 3.120 2.711 2.484 2.813 . 0 0 "[ . 1 . 2]" 1
195 1 10 ASP QB 1 11 ILE QG . . 5.310 3.144 3.068 3.271 . 0 0 "[ . 1 . 2]" 1
196 1 10 ASP QB 1 12 ALA H . . 5.340 4.962 4.772 5.022 . 0 0 "[ . 1 . 2]" 1
197 1 10 ASP QB 1 13 ALA MB . . 5.310 4.356 4.178 4.453 . 0 0 "[ . 1 . 2]" 1
198 1 10 ASP QB 1 32 ILE HA . . 5.340 5.277 4.984 5.398 0.058 11 0 "[ . 1 . 2]" 1
199 1 10 ASP QB 1 32 ILE MG . . 5.340 4.117 3.886 4.398 . 0 0 "[ . 1 . 2]" 1
200 1 10 ASP QB 1 33 SER HA . . 2.900 1.965 1.938 1.982 . 0 0 "[ . 1 . 2]" 1
201 1 10 ASP QB 1 34 GLY HA3 . . 5.330 4.688 4.303 5.099 . 0 0 "[ . 1 . 2]" 1
202 1 10 ASP HB2 1 11 ILE H . . 3.670 2.789 2.526 2.914 . 0 0 "[ . 1 . 2]" 1
203 1 10 ASP HB2 1 11 ILE QG . . 5.170 3.289 3.158 3.407 . 0 0 "[ . 1 . 2]" 1
204 1 10 ASP HB2 1 14 ALA MB . . 5.500 5.699 5.462 5.938 0.438 7 0 "[ . 1 . 2]" 1
205 1 10 ASP HB2 1 33 SER HA . . 3.650 3.344 3.080 3.472 . 0 0 "[ . 1 . 2]" 1
206 1 10 ASP HB3 1 11 ILE H . . 3.670 3.696 3.621 3.731 0.061 15 0 "[ . 1 . 2]" 1
207 1 10 ASP HB3 1 11 ILE QG . . 5.170 4.002 3.896 4.220 . 0 0 "[ . 1 . 2]" 1
208 1 10 ASP HB3 1 14 ALA MB . . 5.500 4.814 4.496 5.141 . 0 0 "[ . 1 . 2]" 1
209 1 10 ASP HB3 1 33 SER HA . . 3.650 1.979 1.955 1.995 . 0 0 "[ . 1 . 2]" 1
210 1 11 ILE H 1 11 ILE HA . . 2.850 2.867 2.837 2.882 0.032 12 0 "[ . 1 . 2]" 1
211 1 11 ILE H 1 11 ILE HB . . 2.770 2.435 2.362 2.485 . 0 0 "[ . 1 . 2]" 1
212 1 11 ILE H 1 11 ILE MD . . 3.350 3.237 3.105 3.447 0.097 20 0 "[ . 1 . 2]" 1
213 1 11 ILE H 1 11 ILE QG . . 3.470 2.420 2.293 2.547 . 0 0 "[ . 1 . 2]" 1
214 1 11 ILE H 1 33 SER HA . . 4.700 4.472 4.105 4.636 . 0 0 "[ . 1 . 2]" 1
215 1 11 ILE HA 1 11 ILE MD . . 4.460 3.848 3.819 3.877 . 0 0 "[ . 1 . 2]" 1
216 1 11 ILE HA 1 11 ILE QG . . 2.810 2.399 2.348 2.443 . 0 0 "[ . 1 . 2]" 1
217 1 11 ILE HA 1 11 ILE MG . . 3.050 2.401 2.368 2.476 . 0 0 "[ . 1 . 2]" 1
218 1 11 ILE HA 1 13 ALA H . . 5.270 3.979 3.843 4.537 . 0 0 "[ . 1 . 2]" 1
219 1 11 ILE HA 1 13 ALA MB . . 5.500 4.728 4.620 4.918 . 0 0 "[ . 1 . 2]" 1
220 1 11 ILE HA 1 14 ALA H . . 3.840 3.308 3.161 3.548 . 0 0 "[ . 1 . 2]" 1
221 1 11 ILE HA 1 14 ALA HA . . 5.500 5.477 5.306 5.600 0.100 20 0 "[ . 1 . 2]" 1
222 1 11 ILE HA 1 14 ALA MB . . 3.840 2.875 2.660 2.995 . 0 0 "[ . 1 . 2]" 1
223 1 11 ILE HA 1 15 LEU H . . 4.830 4.093 3.863 4.538 . 0 0 "[ . 1 . 2]" 1
224 1 11 ILE HA 1 32 ILE HB . . 5.500 5.361 4.993 5.541 0.041 17 0 "[ . 1 . 2]" 1
225 1 11 ILE HA 1 33 SER HA . . 4.200 3.796 3.531 4.004 . 0 0 "[ . 1 . 2]" 1
226 1 11 ILE HA 1 70 PHE QD . . 4.310 4.157 3.555 4.321 0.011 9 0 "[ . 1 . 2]" 1
227 1 11 ILE HB 1 11 ILE MG . . 2.400 2.118 2.099 2.126 . 0 0 "[ . 1 . 2]" 1
228 1 11 ILE HB 1 12 ALA H . . 3.040 2.403 2.339 2.676 . 0 0 "[ . 1 . 2]" 1
229 1 11 ILE HB 1 12 ALA HA . . 4.570 4.287 4.221 4.410 . 0 0 "[ . 1 . 2]" 1
230 1 11 ILE MD 1 70 PHE HB3 . . 5.480 4.055 3.607 4.457 . 0 0 "[ . 1 . 2]" 1
231 1 11 ILE MD 1 70 PHE QD . . 4.590 2.661 2.272 3.299 . 0 0 "[ . 1 . 2]" 1
232 1 11 ILE QG 1 33 SER HA . . 5.110 3.941 3.794 4.243 . 0 0 "[ . 1 . 2]" 1
233 1 11 ILE QG 1 33 SER HB2 . . 5.500 3.810 2.810 4.679 . 0 0 "[ . 1 . 2]" 1
234 1 11 ILE QG 1 33 SER QB . . 4.820 3.530 2.704 4.002 . 0 0 "[ . 1 . 2]" 1
235 1 11 ILE QG 1 33 SER HB3 . . 5.500 4.308 3.162 4.827 . 0 0 "[ . 1 . 2]" 1
236 1 11 ILE QG 1 70 PHE HB2 . . 5.500 5.334 5.222 5.368 . 0 0 "[ . 1 . 2]" 1
237 1 11 ILE QG 1 70 PHE HB3 . . 5.500 3.935 3.810 3.996 . 0 0 "[ . 1 . 2]" 1
238 1 11 ILE QG 1 70 PHE QD . . 3.780 2.217 2.060 2.296 . 0 0 "[ . 1 . 2]" 1
239 1 11 ILE MG 1 12 ALA H . . 3.210 3.104 2.923 3.275 0.065 6 0 "[ . 1 . 2]" 1
240 1 11 ILE MG 1 12 ALA HA . . 3.460 3.216 3.042 3.294 . 0 0 "[ . 1 . 2]" 1
241 1 11 ILE MG 1 12 ALA MB . . 4.740 3.866 3.708 3.970 . 0 0 "[ . 1 . 2]" 1
242 1 11 ILE MG 1 13 ALA H . . 5.500 4.565 4.405 4.802 . 0 0 "[ . 1 . 2]" 1
243 1 11 ILE MG 1 14 ALA H . . 5.500 4.203 4.113 4.356 . 0 0 "[ . 1 . 2]" 1
244 1 11 ILE MG 1 14 ALA MB . . 4.430 3.563 3.436 3.734 . 0 0 "[ . 1 . 2]" 1
245 1 11 ILE MG 1 15 LEU H . . 5.500 3.691 3.487 3.941 . 0 0 "[ . 1 . 2]" 1
246 1 11 ILE MG 1 70 PHE HB2 . . 5.500 3.330 3.280 3.382 . 0 0 "[ . 1 . 2]" 1
247 1 11 ILE MG 1 70 PHE HB3 . . 3.400 1.947 1.875 1.996 . 0 0 "[ . 1 . 2]" 1
248 1 11 ILE MG 1 70 PHE QD . . 3.640 1.910 1.879 1.943 . 0 0 "[ . 1 . 2]" 1
249 1 12 ALA H 1 12 ALA MB . . 2.740 2.034 2.024 2.063 . 0 0 "[ . 1 . 2]" 1
250 1 12 ALA H 1 13 ALA H . . 3.050 2.709 2.540 2.868 . 0 0 "[ . 1 . 2]" 1
251 1 12 ALA H 1 15 LEU MD1 . . 5.500 4.352 4.024 4.577 . 0 0 "[ . 1 . 2]" 1
252 1 12 ALA H 1 15 LEU HG . . 5.500 5.167 4.581 5.718 0.218 3 0 "[ . 1 . 2]" 1
253 1 12 ALA HA 1 15 LEU H . . 3.560 3.438 3.029 3.587 0.027 19 0 "[ . 1 . 2]" 1
254 1 12 ALA HA 1 15 LEU QB . . 2.970 2.582 2.195 2.706 . 0 0 "[ . 1 . 2]" 1
255 1 12 ALA HA 1 15 LEU MD1 . . 3.620 2.971 2.547 3.360 . 0 0 "[ . 1 . 2]" 1
256 1 12 ALA HA 1 16 ARG H . . 5.500 3.889 3.607 4.198 . 0 0 "[ . 1 . 2]" 1
257 1 12 ALA MB 1 13 ALA H . . 3.380 2.934 2.590 3.029 . 0 0 "[ . 1 . 2]" 1
258 1 13 ALA H 1 13 ALA HA . . 2.930 2.874 2.790 2.901 . 0 0 "[ . 1 . 2]" 1
259 1 13 ALA H 1 13 ALA MB . . 2.550 2.121 2.067 2.178 . 0 0 "[ . 1 . 2]" 1
260 1 13 ALA H 1 14 ALA H . . 2.830 2.413 2.307 2.686 . 0 0 "[ . 1 . 2]" 1
261 1 13 ALA H 1 14 ALA MB . . 5.500 4.139 4.052 4.392 . 0 0 "[ . 1 . 2]" 1
262 1 13 ALA H 1 15 LEU H . . 4.330 3.973 3.770 4.207 . 0 0 "[ . 1 . 2]" 1
263 1 13 ALA H 1 32 ILE MG . . 5.500 3.884 3.668 4.134 . 0 0 "[ . 1 . 2]" 1
264 1 13 ALA HA 1 13 ALA MB . . 2.400 2.101 2.089 2.117 . 0 0 "[ . 1 . 2]" 1
265 1 13 ALA HA 1 16 ARG H . . 3.930 4.126 3.937 4.276 0.346 20 0 "[ . 1 . 2]" 1
266 1 13 ALA HA 1 16 ARG QB . . 3.990 3.797 3.342 5.139 1.149 20 2 "[ .- 1 . +]" 1
267 1 13 ALA HA 1 16 ARG QD . . 4.140 4.554 1.922 6.057 1.917 16 9 "[ * * * - * **+* 2]" 1
268 1 13 ALA HA 1 17 ASP H . . 4.210 4.285 4.079 4.788 0.578 20 1 "[ . 1 . +]" 1
269 1 13 ALA HA 1 17 ASP HB2 . . 5.500 4.699 4.512 4.973 . 0 0 "[ . 1 . 2]" 1
270 1 13 ALA HA 1 17 ASP HB3 . . 5.500 5.304 5.144 5.458 . 0 0 "[ . 1 . 2]" 1
271 1 13 ALA HA 1 32 ILE MG . . 5.500 4.000 3.856 4.246 . 0 0 "[ . 1 . 2]" 1
272 1 13 ALA MB 1 14 ALA H . . 3.100 2.934 2.833 3.026 . 0 0 "[ . 1 . 2]" 1
273 1 13 ALA MB 1 17 ASP HB3 . . 5.500 5.017 4.794 5.116 . 0 0 "[ . 1 . 2]" 1
274 1 14 ALA H 1 14 ALA MB . . 2.780 2.300 2.253 2.365 . 0 0 "[ . 1 . 2]" 1
275 1 14 ALA H 1 15 LEU H . . 3.070 2.300 2.121 2.434 . 0 0 "[ . 1 . 2]" 1
276 1 14 ALA H 1 15 LEU HA . . 5.500 4.946 4.757 5.068 . 0 0 "[ . 1 . 2]" 1
277 1 14 ALA H 1 15 LEU QB . . 4.650 4.131 3.973 4.178 . 0 0 "[ . 1 . 2]" 1
278 1 14 ALA H 1 15 LEU MD1 . . 5.500 5.136 4.756 5.274 . 0 0 "[ . 1 . 2]" 1
279 1 14 ALA H 1 15 LEU HG . . 5.500 4.494 4.046 4.920 . 0 0 "[ . 1 . 2]" 1
280 1 14 ALA H 1 17 ASP H . . 4.920 4.494 4.315 4.657 . 0 0 "[ . 1 . 2]" 1
281 1 14 ALA H 1 17 ASP HB2 . . 5.500 5.130 4.998 5.290 . 0 0 "[ . 1 . 2]" 1
282 1 14 ALA H 1 17 ASP HB3 . . 5.500 4.686 4.533 4.840 . 0 0 "[ . 1 . 2]" 1
283 1 14 ALA H 1 32 ILE MD . . 5.500 5.210 4.965 5.412 . 0 0 "[ . 1 . 2]" 1
284 1 14 ALA H 1 32 ILE HG12 . . 5.500 5.442 5.117 5.547 0.047 16 0 "[ . 1 . 2]" 1
285 1 14 ALA H 1 32 ILE MG . . 3.810 2.796 2.627 3.004 . 0 0 "[ . 1 . 2]" 1
286 1 14 ALA H 1 33 SER QB . . 5.340 5.161 4.636 5.373 0.033 1 0 "[ . 1 . 2]" 1
287 1 14 ALA HA 1 16 ARG H . . 5.060 4.717 4.506 4.865 . 0 0 "[ . 1 . 2]" 1
288 1 14 ALA HA 1 17 ASP H . . 3.880 3.429 3.314 3.518 . 0 0 "[ . 1 . 2]" 1
289 1 14 ALA HA 1 17 ASP HA . . 5.500 4.939 4.830 5.003 . 0 0 "[ . 1 . 2]" 1
290 1 14 ALA HA 1 17 ASP HB2 . . 3.510 3.031 2.858 3.123 . 0 0 "[ . 1 . 2]" 1
291 1 14 ALA HA 1 17 ASP HB3 . . 2.970 2.222 2.059 2.381 . 0 0 "[ . 1 . 2]" 1
292 1 14 ALA HA 1 18 CYS H . . 5.030 4.400 4.228 4.519 . 0 0 "[ . 1 . 2]" 1
293 1 14 ALA HA 1 29 PHE QE . . 5.500 4.716 3.996 5.210 . 0 0 "[ . 1 . 2]" 1
294 1 14 ALA HA 1 32 ILE H . . 5.500 5.443 5.076 5.574 0.074 7 0 "[ . 1 . 2]" 1
295 1 14 ALA HA 1 32 ILE HB . . 2.820 3.008 2.555 3.194 0.374 18 0 "[ . 1 . 2]" 1
296 1 14 ALA HA 1 32 ILE MD . . 3.530 3.134 2.817 3.338 . 0 0 "[ . 1 . 2]" 1
297 1 14 ALA HA 1 32 ILE HG12 . . 4.390 3.229 3.005 3.412 . 0 0 "[ . 1 . 2]" 1
298 1 14 ALA HA 1 32 ILE HG13 . . 4.620 4.662 4.540 4.807 0.187 10 0 "[ . 1 . 2]" 1
299 1 14 ALA HA 1 32 ILE MG . . 2.820 2.143 1.938 2.483 . 0 0 "[ . 1 . 2]" 1
300 1 14 ALA MB 1 15 LEU H . . 3.280 2.674 2.438 3.003 . 0 0 "[ . 1 . 2]" 1
301 1 14 ALA MB 1 15 LEU HA . . 5.500 3.806 3.712 3.905 . 0 0 "[ . 1 . 2]" 1
302 1 14 ALA MB 1 29 PHE HA . . 4.190 3.001 2.754 3.283 . 0 0 "[ . 1 . 2]" 1
303 1 14 ALA MB 1 29 PHE QD . . 3.510 2.440 1.916 2.950 . 0 0 "[ . 1 . 2]" 1
304 1 14 ALA MB 1 29 PHE QE . . 4.290 2.051 1.910 2.326 . 0 0 "[ . 1 . 2]" 1
305 1 14 ALA MB 1 32 ILE HB . . 3.020 1.902 1.867 1.937 . 0 0 "[ . 1 . 2]" 1
306 1 14 ALA MB 1 33 SER H . . 4.140 3.409 2.942 3.705 . 0 0 "[ . 1 . 2]" 1
307 1 14 ALA MB 1 33 SER HA . . 3.600 3.688 3.196 4.160 0.560 4 3 "[ +. - 1 * . 2]" 1
308 1 14 ALA MB 1 33 SER QB . . 3.830 3.004 2.645 3.376 . 0 0 "[ . 1 . 2]" 1
309 1 15 LEU H 1 15 LEU QB . . 2.620 2.243 2.132 2.339 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU H 1 15 LEU MD1 . . 4.590 3.743 3.441 3.853 . 0 0 "[ . 1 . 2]" 1
311 1 15 LEU H 1 15 LEU HG . . 3.650 2.712 2.458 3.044 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU H 1 17 ASP H . . 4.580 3.780 3.484 3.943 . 0 0 "[ . 1 . 2]" 1
313 1 15 LEU H 1 18 CYS H . . 5.500 5.127 5.005 5.228 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU H 1 29 PHE QD . . 5.500 5.348 5.235 5.490 . 0 0 "[ . 1 . 2]" 1
315 1 15 LEU H 1 29 PHE QE . . 4.760 3.792 3.334 4.763 0.003 20 0 "[ . 1 . 2]" 1
316 1 15 LEU H 1 32 ILE MG . . 5.500 4.410 4.221 4.621 . 0 0 "[ . 1 . 2]" 1
317 1 15 LEU HA 1 15 LEU QB . . 2.590 2.446 2.401 2.486 . 0 0 "[ . 1 . 2]" 1
318 1 15 LEU HA 1 15 LEU MD2 . . 3.090 1.997 1.936 2.260 . 0 0 "[ . 1 . 2]" 1
319 1 15 LEU HA 1 15 LEU HG . . 3.730 2.892 2.681 3.123 . 0 0 "[ . 1 . 2]" 1
320 1 15 LEU HA 1 17 ASP H . . 4.370 4.233 3.808 4.393 0.023 14 0 "[ . 1 . 2]" 1
321 1 15 LEU HA 1 17 ASP HB3 . . 5.500 4.888 4.734 5.050 . 0 0 "[ . 1 . 2]" 1
322 1 15 LEU HA 1 18 CYS H . . 4.170 3.985 3.796 4.116 . 0 0 "[ . 1 . 2]" 1
323 1 15 LEU HA 1 29 PHE QD . . 4.750 5.301 4.816 5.676 0.926 15 11 "[ * *. **** * + *-*]" 1
324 1 15 LEU QB 1 15 LEU MD1 . . 2.990 2.055 1.991 2.080 . 0 0 "[ . 1 . 2]" 1
325 1 15 LEU QB 1 16 ARG H . . 2.890 2.392 2.264 2.538 . 0 0 "[ . 1 . 2]" 1
326 1 15 LEU QB 1 18 CYS H . . 5.340 5.151 5.031 5.294 . 0 0 "[ . 1 . 2]" 1
327 1 15 LEU QB 1 19 GLN H . . 5.340 5.343 5.227 5.481 0.141 19 0 "[ . 1 . 2]" 1
328 1 15 LEU HB2 1 15 LEU MD1 . . 3.580 2.301 2.078 2.394 . 0 0 "[ . 1 . 2]" 1
329 1 15 LEU HB3 1 15 LEU MD1 . . 3.580 2.327 2.224 2.550 . 0 0 "[ . 1 . 2]" 1
330 1 15 LEU MD1 1 16 ARG H . . 4.900 4.348 4.146 4.488 . 0 0 "[ . 1 . 2]" 1
331 1 15 LEU MD1 1 70 PHE H . . 5.500 4.046 3.560 4.451 . 0 0 "[ . 1 . 2]" 1
332 1 15 LEU MD1 1 70 PHE HB3 . . 3.800 2.453 2.040 2.868 . 0 0 "[ . 1 . 2]" 1
333 1 15 LEU MD1 1 70 PHE QD . . 5.500 3.988 3.596 4.352 . 0 0 "[ . 1 . 2]" 1
334 1 15 LEU MD1 1 71 GLU H . . 5.500 3.014 2.709 3.324 . 0 0 "[ . 1 . 2]" 1
335 1 15 LEU MD1 1 71 GLU HA . . 5.340 2.351 2.091 2.700 . 0 0 "[ . 1 . 2]" 1
336 1 15 LEU MD1 1 71 GLU HB2 . . 5.490 2.005 1.874 2.513 . 0 0 "[ . 1 . 2]" 1
337 1 15 LEU MD1 1 71 GLU HG2 . . 4.590 3.095 1.927 4.028 . 0 0 "[ . 1 . 2]" 1
338 1 15 LEU MD1 1 71 GLU QG . . 3.900 2.708 1.901 3.284 . 0 0 "[ . 1 . 2]" 1
339 1 15 LEU MD1 1 71 GLU HG3 . . 4.590 3.356 2.510 3.908 . 0 0 "[ . 1 . 2]" 1
340 1 15 LEU MD2 1 16 ARG H . . 5.500 4.574 4.495 4.677 . 0 0 "[ . 1 . 2]" 1
341 1 15 LEU MD2 1 29 PHE QE . . 5.500 3.247 2.155 4.453 . 0 0 "[ . 1 . 2]" 1
342 1 15 LEU MD2 1 67 LEU HA . . 4.500 3.220 2.620 3.550 . 0 0 "[ . 1 . 2]" 1
343 1 15 LEU MD2 1 70 PHE H . . 5.500 3.769 3.408 3.976 . 0 0 "[ . 1 . 2]" 1
344 1 15 LEU MD2 1 70 PHE HB2 . . 3.390 2.061 1.915 2.410 . 0 0 "[ . 1 . 2]" 1
345 1 15 LEU MD2 1 70 PHE HB3 . . 3.850 2.814 2.389 3.331 . 0 0 "[ . 1 . 2]" 1
346 1 15 LEU MD2 1 70 PHE QD . . 5.500 3.718 3.497 4.019 . 0 0 "[ . 1 . 2]" 1
347 1 15 LEU MD2 1 71 GLU H . . 5.500 3.496 2.894 3.975 . 0 0 "[ . 1 . 2]" 1
348 1 15 LEU HG 1 70 PHE HB3 . . 5.500 3.000 2.482 3.438 . 0 0 "[ . 1 . 2]" 1
349 1 16 ARG H 1 16 ARG HA . . 2.930 2.845 2.830 2.865 . 0 0 "[ . 1 . 2]" 1
350 1 16 ARG H 1 16 ARG QB . . 3.110 2.553 2.398 2.835 . 0 0 "[ . 1 . 2]" 1
351 1 16 ARG H 1 16 ARG HD2 . . 5.340 4.333 3.256 4.805 . 0 0 "[ . 1 . 2]" 1
352 1 16 ARG H 1 16 ARG QD . . 4.530 3.824 2.079 4.312 . 0 0 "[ . 1 . 2]" 1
353 1 16 ARG H 1 16 ARG HD3 . . 5.340 4.331 2.103 4.993 . 0 0 "[ . 1 . 2]" 1
354 1 16 ARG H 1 16 ARG HG2 . . 3.570 2.925 1.906 3.346 . 0 0 "[ . 1 . 2]" 1
355 1 16 ARG H 1 16 ARG QG . . 2.710 2.107 1.793 2.438 . 0 0 "[ . 1 . 2]" 1
356 1 16 ARG H 1 16 ARG HG3 . . 3.570 2.317 1.801 3.357 . 0 0 "[ . 1 . 2]" 1
357 1 16 ARG H 1 17 ASP H . . 3.170 2.526 2.465 2.564 . 0 0 "[ . 1 . 2]" 1
358 1 16 ARG H 1 17 ASP HA . . 5.080 5.089 4.996 5.132 0.052 6 0 "[ . 1 . 2]" 1
359 1 16 ARG H 1 17 ASP HB2 . . 5.210 5.100 4.924 5.175 . 0 0 "[ . 1 . 2]" 1
360 1 16 ARG H 1 17 ASP HB3 . . 4.700 4.538 4.457 4.625 . 0 0 "[ . 1 . 2]" 1
361 1 16 ARG H 1 18 CYS H . . 5.500 4.466 4.287 4.673 . 0 0 "[ . 1 . 2]" 1
362 1 16 ARG H 1 19 GLN HE21 . . 4.820 4.615 4.215 4.834 0.014 16 0 "[ . 1 . 2]" 1
363 1 16 ARG HA 1 16 ARG QB . . 2.510 2.312 2.163 2.383 . 0 0 "[ . 1 . 2]" 1
364 1 16 ARG HA 1 16 ARG HD2 . . 5.500 4.399 2.274 5.484 . 0 0 "[ . 1 . 2]" 1
365 1 16 ARG HA 1 16 ARG QD . . 4.810 3.779 2.258 4.407 . 0 0 "[ . 1 . 2]" 1
366 1 16 ARG HA 1 16 ARG HD3 . . 5.500 4.273 2.956 4.797 . 0 0 "[ . 1 . 2]" 1
367 1 16 ARG HA 1 16 ARG QG . . 3.600 2.606 2.322 3.420 . 0 0 "[ . 1 . 2]" 1
368 1 16 ARG HA 1 17 ASP HB3 . . 5.500 5.533 5.492 5.569 0.069 19 0 "[ . 1 . 2]" 1
369 1 16 ARG HA 1 18 CYS H . . 4.190 4.223 4.008 4.441 0.251 15 0 "[ . 1 . 2]" 1
370 1 16 ARG HA 1 19 GLN H . . 4.300 3.216 3.057 3.350 . 0 0 "[ . 1 . 2]" 1
371 1 16 ARG HA 1 19 GLN HE21 . . 5.500 2.064 1.950 2.209 . 0 0 "[ . 1 . 2]" 1
372 1 16 ARG HA 1 19 GLN HE22 . . 4.820 3.630 3.124 3.917 . 0 0 "[ . 1 . 2]" 1
373 1 16 ARG HA 1 19 GLN HG2 . . 2.910 2.386 2.086 2.556 . 0 0 "[ . 1 . 2]" 1
374 1 16 ARG HA 1 19 GLN HG3 . . 4.180 3.995 3.683 4.125 . 0 0 "[ . 1 . 2]" 1
375 1 16 ARG QB 1 17 ASP HB2 . . 5.340 4.717 4.565 5.343 0.003 20 0 "[ . 1 . 2]" 1
376 1 16 ARG QB 1 19 GLN HE21 . . 5.080 2.939 2.143 3.469 . 0 0 "[ . 1 . 2]" 1
377 1 16 ARG QB 1 19 GLN HG3 . . 5.340 5.232 4.849 5.310 . 0 0 "[ . 1 . 2]" 1
378 1 16 ARG QG 1 17 ASP H . . 3.900 3.894 2.139 4.136 0.236 11 0 "[ . 1 . 2]" 1
379 1 16 ARG QG 1 19 GLN HE21 . . 4.740 3.107 2.455 4.434 . 0 0 "[ . 1 . 2]" 1
380 1 16 ARG HG2 1 19 GLN HE21 . . 5.500 3.251 2.474 5.338 . 0 0 "[ . 1 . 2]" 1
381 1 16 ARG HG2 1 19 GLN HE22 . . 5.500 4.121 3.282 5.511 0.011 20 0 "[ . 1 . 2]" 1
382 1 16 ARG HG3 1 19 GLN HE21 . . 5.500 4.401 4.113 4.738 . 0 0 "[ . 1 . 2]" 1
383 1 16 ARG HG3 1 19 GLN HE22 . . 5.500 5.436 5.000 5.516 0.016 3 0 "[ . 1 . 2]" 1
384 1 17 ASP H 1 17 ASP HB2 . . 2.790 2.790 2.704 2.887 0.097 20 0 "[ . 1 . 2]" 1
385 1 17 ASP H 1 17 ASP HB3 . . 2.810 2.308 2.277 2.377 . 0 0 "[ . 1 . 2]" 1
386 1 17 ASP H 1 18 CYS H . . 2.860 2.780 2.471 2.901 0.041 8 0 "[ . 1 . 2]" 1
387 1 17 ASP H 1 18 CYS HA . . 5.400 5.284 5.082 5.338 . 0 0 "[ . 1 . 2]" 1
388 1 17 ASP H 1 19 GLN H . . 4.340 4.154 3.599 4.353 0.013 19 0 "[ . 1 . 2]" 1
389 1 17 ASP HA 1 17 ASP HB2 . . 2.950 2.335 2.312 2.355 . 0 0 "[ . 1 . 2]" 1
390 1 17 ASP HA 1 18 CYS QB . . 5.340 5.218 4.980 5.329 . 0 0 "[ . 1 . 2]" 1
391 1 17 ASP HA 1 19 GLN H . . 4.820 4.551 4.413 4.609 . 0 0 "[ . 1 . 2]" 1
392 1 17 ASP HB2 1 18 CYS H . . 4.080 4.006 3.899 4.072 . 0 0 "[ . 1 . 2]" 1
393 1 17 ASP HB2 1 32 ILE MG . . 3.600 3.409 2.974 3.713 0.113 13 0 "[ . 1 . 2]" 1
394 1 17 ASP HB3 1 18 CYS H . . 3.540 2.676 2.509 2.778 . 0 0 "[ . 1 . 2]" 1
395 1 17 ASP HB3 1 18 CYS HA . . 5.500 4.975 4.923 5.036 . 0 0 "[ . 1 . 2]" 1
396 1 17 ASP HB3 1 19 GLN H . . 5.260 5.044 4.784 5.256 . 0 0 "[ . 1 . 2]" 1
397 1 17 ASP HB3 1 32 ILE MD . . 4.230 3.605 3.192 3.845 . 0 0 "[ . 1 . 2]" 1
398 1 17 ASP HB3 1 32 ILE MG . . 4.000 3.599 3.271 3.909 . 0 0 "[ . 1 . 2]" 1
399 1 18 CYS H 1 18 CYS HB2 . . 3.910 2.844 2.588 3.813 . 0 0 "[ . 1 . 2]" 1
400 1 18 CYS H 1 18 CYS QB . . 3.390 2.709 2.543 3.206 . 0 0 "[ . 1 . 2]" 1
401 1 18 CYS H 1 18 CYS HB3 . . 3.910 3.731 3.415 3.850 . 0 0 "[ . 1 . 2]" 1
402 1 18 CYS H 1 19 GLN H . . 2.790 2.589 2.229 2.742 . 0 0 "[ . 1 . 2]" 1
403 1 18 CYS H 1 19 GLN HB3 . . 4.730 4.471 4.249 4.638 . 0 0 "[ . 1 . 2]" 1
404 1 18 CYS H 1 19 GLN HG2 . . 5.000 4.277 3.824 4.438 . 0 0 "[ . 1 . 2]" 1
405 1 18 CYS H 1 19 GLN HG3 . . 5.500 5.288 4.995 5.468 . 0 0 "[ . 1 . 2]" 1
406 1 18 CYS H 1 20 ALA H . . 5.500 4.943 4.753 5.044 . 0 0 "[ . 1 . 2]" 1
407 1 18 CYS H 1 32 ILE MD . . 5.500 5.190 4.927 5.464 . 0 0 "[ . 1 . 2]" 1
408 1 18 CYS HA 1 19 GLN H . . 3.290 2.789 2.723 2.987 . 0 0 "[ . 1 . 2]" 1
409 1 18 CYS HA 1 19 GLN HG3 . . 5.500 4.610 4.431 5.042 . 0 0 "[ . 1 . 2]" 1
410 1 18 CYS HA 1 20 ALA H . . 3.770 3.394 3.290 3.489 . 0 0 "[ . 1 . 2]" 1
411 1 18 CYS HA 1 20 ALA MB . . 5.300 3.931 3.844 4.112 . 0 0 "[ . 1 . 2]" 1
412 1 18 CYS HA 1 23 SER HB2 . . 4.520 4.497 3.593 5.121 0.601 6 1 "[ .+ 1 . 2]" 1
413 1 18 CYS HA 1 23 SER QB . . 3.670 3.297 2.844 3.616 . 0 0 "[ . 1 . 2]" 1
414 1 18 CYS HA 1 23 SER HB3 . . 4.520 3.452 2.881 4.661 0.141 14 0 "[ . 1 . 2]" 1
415 1 18 CYS HA 1 24 PHE HA . . 5.500 5.061 4.612 5.506 0.006 18 0 "[ . 1 . 2]" 1
416 1 18 CYS QB 1 23 SER H . . 5.340 4.512 4.197 4.849 . 0 0 "[ . 1 . 2]" 1
417 1 18 CYS QB 1 23 SER QB . . 4.760 2.897 2.469 3.434 . 0 0 "[ . 1 . 2]" 1
418 1 18 CYS QB 1 24 PHE H . . 4.200 3.608 3.034 4.215 0.015 11 0 "[ . 1 . 2]" 1
419 1 18 CYS QB 1 24 PHE HA . . 2.920 2.522 2.006 2.923 0.003 5 0 "[ . 1 . 2]" 1
420 1 18 CYS QB 1 24 PHE QB . . 4.760 2.439 1.839 4.127 . 0 0 "[ . 1 . 2]" 1
421 1 18 CYS QB 1 25 SER H . . 4.600 4.237 3.876 4.586 . 0 0 "[ . 1 . 2]" 1
422 1 18 CYS HB2 1 25 SER H . . 5.380 4.701 4.339 5.117 . 0 0 "[ . 1 . 2]" 1
423 1 18 CYS HB3 1 25 SER H . . 5.380 4.831 4.352 5.190 . 0 0 "[ . 1 . 2]" 1
424 1 19 GLN H 1 19 GLN HA . . 2.930 2.792 2.749 2.838 . 0 0 "[ . 1 . 2]" 1
425 1 19 GLN H 1 19 GLN HB2 . . 3.630 3.575 3.568 3.582 . 0 0 "[ . 1 . 2]" 1
426 1 19 GLN H 1 19 GLN HB3 . . 2.790 2.721 2.677 2.751 . 0 0 "[ . 1 . 2]" 1
427 1 19 GLN H 1 19 GLN HE21 . . 5.500 4.117 3.772 4.266 . 0 0 "[ . 1 . 2]" 1
428 1 19 GLN H 1 19 GLN HG2 . . 3.500 2.041 1.913 2.126 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLN H 1 19 GLN HG3 . . 3.200 2.711 2.598 2.962 . 0 0 "[ . 1 . 2]" 1
430 1 19 GLN H 1 20 ALA H . . 3.020 2.696 2.564 2.830 . 0 0 "[ . 1 . 2]" 1
431 1 19 GLN H 1 20 ALA MB . . 5.160 4.338 4.202 4.453 . 0 0 "[ . 1 . 2]" 1
432 1 19 GLN HA 1 19 GLN HB2 . . 2.700 2.548 2.516 2.575 . 0 0 "[ . 1 . 2]" 1
433 1 19 GLN HA 1 19 GLN HB3 . . 2.400 2.358 2.338 2.383 . 0 0 "[ . 1 . 2]" 1
434 1 19 GLN HB2 1 19 GLN HG3 . . 2.950 2.559 2.465 2.605 . 0 0 "[ . 1 . 2]" 1
435 1 19 GLN HB2 1 20 ALA H . . 3.730 3.640 3.513 3.759 0.029 4 0 "[ . 1 . 2]" 1
436 1 19 GLN HB3 1 19 GLN HE21 . . 3.840 2.582 2.023 3.488 . 0 0 "[ . 1 . 2]" 1
437 1 19 GLN HB3 1 19 GLN HG2 . . 2.500 2.338 2.303 2.418 . 0 0 "[ . 1 . 2]" 1
438 1 19 GLN HB3 1 20 ALA H . . 4.260 4.082 4.051 4.115 . 0 0 "[ . 1 . 2]" 1
439 1 19 GLN HG2 1 20 ALA H . . 3.710 3.207 2.921 3.307 . 0 0 "[ . 1 . 2]" 1
440 1 19 GLN HG3 1 20 ALA H . . 3.600 2.052 1.951 2.293 . 0 0 "[ . 1 . 2]" 1
441 1 19 GLN HG3 1 20 ALA HA . . 4.360 3.616 3.479 3.719 . 0 0 "[ . 1 . 2]" 1
442 1 20 ALA H 1 20 ALA MB . . 2.450 2.201 2.118 2.232 . 0 0 "[ . 1 . 2]" 1
443 1 20 ALA H 1 21 PRO HD2 . . 5.270 4.753 4.739 4.766 . 0 0 "[ . 1 . 2]" 1
444 1 20 ALA H 1 21 PRO QD . . 4.590 4.328 4.317 4.341 . 0 0 "[ . 1 . 2]" 1
445 1 20 ALA H 1 21 PRO HD3 . . 5.270 4.983 4.936 5.017 . 0 0 "[ . 1 . 2]" 1
446 1 20 ALA H 1 23 SER QB . . 4.110 3.661 3.413 3.988 . 0 0 "[ . 1 . 2]" 1
447 1 20 ALA HA 1 21 PRO QB . . 5.230 4.560 4.546 4.573 . 0 0 "[ . 1 . 2]" 1
448 1 20 ALA HA 1 21 PRO QD . . 3.320 2.066 2.021 2.102 . 0 0 "[ . 1 . 2]" 1
449 1 20 ALA HA 1 21 PRO HG2 . . 5.500 4.478 4.412 4.530 . 0 0 "[ . 1 . 2]" 1
450 1 20 ALA HA 1 21 PRO QG . . 4.660 3.976 3.927 4.016 . 0 0 "[ . 1 . 2]" 1
451 1 20 ALA HA 1 21 PRO HG3 . . 5.500 4.447 4.404 4.485 . 0 0 "[ . 1 . 2]" 1
452 1 20 ALA MB 1 21 PRO HD2 . . 3.710 2.021 1.894 2.182 . 0 0 "[ . 1 . 2]" 1
453 1 20 ALA MB 1 21 PRO QD . . 3.060 2.002 1.880 2.157 . 0 0 "[ . 1 . 2]" 1
454 1 20 ALA MB 1 21 PRO HD3 . . 3.710 3.275 3.185 3.394 . 0 0 "[ . 1 . 2]" 1
455 1 20 ALA MB 1 21 PRO HG2 . . 5.430 3.748 3.625 3.881 . 0 0 "[ . 1 . 2]" 1
456 1 20 ALA MB 1 21 PRO HG3 . . 5.430 4.456 4.345 4.594 . 0 0 "[ . 1 . 2]" 1
457 1 20 ALA MB 1 23 SER H . . 4.850 4.133 3.889 4.300 . 0 0 "[ . 1 . 2]" 1
458 1 20 ALA MB 1 23 SER HB2 . . 3.720 2.227 1.972 2.910 . 0 0 "[ . 1 . 2]" 1
459 1 20 ALA MB 1 23 SER HB3 . . 3.720 2.753 2.232 3.357 . 0 0 "[ . 1 . 2]" 1
460 1 21 PRO HA 1 22 ASP H . . 2.890 2.225 2.178 2.284 . 0 0 "[ . 1 . 2]" 1
461 1 21 PRO HA 1 22 ASP HA . . 4.610 4.403 4.390 4.447 . 0 0 "[ . 1 . 2]" 1
462 1 21 PRO HA 1 23 SER H . . 3.570 3.419 3.211 3.550 . 0 0 "[ . 1 . 2]" 1
463 1 21 PRO HA 1 24 PHE H . . 5.190 4.815 4.316 5.203 0.013 16 0 "[ . 1 . 2]" 1
464 1 21 PRO HA 1 75 ARG HD2 . . 5.160 4.103 2.803 4.899 . 0 0 "[ . 1 . 2]" 1
465 1 21 PRO HA 1 75 ARG QD . . 4.430 2.728 2.256 3.139 . 0 0 "[ . 1 . 2]" 1
466 1 21 PRO HA 1 75 ARG HD3 . . 5.160 2.817 2.276 3.220 . 0 0 "[ . 1 . 2]" 1
467 1 21 PRO HA 1 75 ARG HG2 . . 5.500 4.947 4.618 5.265 . 0 0 "[ . 1 . 2]" 1
468 1 21 PRO HA 1 78 THR H . . 5.500 5.227 4.662 5.506 0.006 7 0 "[ . 1 . 2]" 1
469 1 21 PRO HA 1 81 GLU QG . . 5.500 4.324 3.533 4.799 . 0 0 "[ . 1 . 2]" 1
470 1 21 PRO QB 1 22 ASP H . . 3.310 2.988 2.816 3.158 . 0 0 "[ . 1 . 2]" 1
471 1 21 PRO QB 1 22 ASP QB . . 5.180 3.325 3.107 3.556 . 0 0 "[ . 1 . 2]" 1
472 1 21 PRO QB 1 75 ARG QD . . 4.230 2.336 1.936 2.789 . 0 0 "[ . 1 . 2]" 1
473 1 21 PRO QB 1 75 ARG QH2 . . 5.180 3.355 2.859 4.021 . 0 0 "[ . 1 . 2]" 1
474 1 21 PRO QB 1 78 THR H . . 5.340 4.912 4.186 5.059 . 0 0 "[ . 1 . 2]" 1
475 1 21 PRO QB 1 81 GLU QG . . 5.340 4.650 3.895 4.988 . 0 0 "[ . 1 . 2]" 1
476 1 21 PRO HB2 1 22 ASP H . . 3.990 3.140 2.934 3.346 . 0 0 "[ . 1 . 2]" 1
477 1 21 PRO HB2 1 23 SER H . . 5.500 4.946 4.802 5.018 . 0 0 "[ . 1 . 2]" 1
478 1 21 PRO HB3 1 22 ASP H . . 3.990 3.749 3.626 3.877 . 0 0 "[ . 1 . 2]" 1
479 1 21 PRO HB3 1 23 SER H . . 5.500 5.469 5.297 5.578 0.078 5 0 "[ . 1 . 2]" 1
480 1 21 PRO QD 1 75 ARG QD . . 5.180 2.718 2.308 3.088 . 0 0 "[ . 1 . 2]" 1
481 1 21 PRO QG 1 75 ARG QD . . 4.760 3.452 3.132 3.682 . 0 0 "[ . 1 . 2]" 1
482 1 22 ASP H 1 22 ASP HA . . 2.910 2.283 2.274 2.294 . 0 0 "[ . 1 . 2]" 1
483 1 22 ASP H 1 22 ASP QB . . 3.110 2.888 2.850 2.959 . 0 0 "[ . 1 . 2]" 1
484 1 22 ASP H 1 23 SER H . . 2.980 2.762 2.628 2.892 . 0 0 "[ . 1 . 2]" 1
485 1 22 ASP H 1 23 SER QB . . 5.240 4.620 4.507 4.822 . 0 0 "[ . 1 . 2]" 1
486 1 22 ASP H 1 24 PHE H . . 4.380 4.021 3.620 4.283 . 0 0 "[ . 1 . 2]" 1
487 1 22 ASP H 1 75 ARG QD . . 5.340 4.598 4.073 5.151 . 0 0 "[ . 1 . 2]" 1
488 1 22 ASP H 1 77 LEU QD . . 5.500 4.756 4.338 5.045 . 0 0 "[ . 1 . 2]" 1
489 1 22 ASP H 1 78 THR H . . 4.590 4.174 3.600 4.574 . 0 0 "[ . 1 . 2]" 1
490 1 22 ASP H 1 78 THR MG . . 3.420 3.036 2.419 3.422 0.002 5 0 "[ . 1 . 2]" 1
491 1 22 ASP H 1 81 GLU QG . . 4.110 2.710 2.016 3.061 . 0 0 "[ . 1 . 2]" 1
492 1 22 ASP HA 1 23 SER H . . 3.200 2.960 2.858 3.088 . 0 0 "[ . 1 . 2]" 1
493 1 22 ASP HA 1 24 PHE H . . 4.220 3.723 3.359 4.240 0.020 2 0 "[ . 1 . 2]" 1
494 1 22 ASP HA 1 78 THR HB . . 5.500 5.301 4.263 5.539 0.039 6 0 "[ . 1 . 2]" 1
495 1 22 ASP HA 1 78 THR MG . . 4.420 3.069 2.103 3.360 . 0 0 "[ . 1 . 2]" 1
496 1 22 ASP HA 1 81 GLU QG . . 4.350 2.408 1.964 2.905 . 0 0 "[ . 1 . 2]" 1
497 1 22 ASP HB2 1 23 SER H . . 5.500 4.467 4.269 4.534 . 0 0 "[ . 1 . 2]" 1
498 1 22 ASP HB3 1 23 SER H . . 5.500 4.196 3.873 4.589 . 0 0 "[ . 1 . 2]" 1
499 1 23 SER H 1 23 SER QB . . 2.930 2.456 2.331 2.692 . 0 0 "[ . 1 . 2]" 1
500 1 23 SER H 1 24 PHE H . . 3.240 2.007 1.887 2.294 . 0 0 "[ . 1 . 2]" 1
501 1 23 SER H 1 24 PHE HA . . 5.500 4.671 4.476 4.819 . 0 0 "[ . 1 . 2]" 1
502 1 23 SER H 1 81 GLU QG . . 5.310 4.189 3.736 4.591 . 0 0 "[ . 1 . 2]" 1
503 1 23 SER QB 1 24 PHE H . . 4.020 3.225 2.672 3.713 . 0 0 "[ . 1 . 2]" 1
504 1 23 SER QB 1 24 PHE HA . . 5.340 4.156 3.815 4.707 . 0 0 "[ . 1 . 2]" 1
505 1 23 SER HB2 1 24 PHE H . . 4.570 3.740 3.032 4.301 . 0 0 "[ . 1 . 2]" 1
506 1 23 SER HB3 1 24 PHE H . . 4.570 3.638 2.751 4.206 . 0 0 "[ . 1 . 2]" 1
507 1 24 PHE H 1 24 PHE QB . . 2.920 2.544 2.128 3.115 0.195 8 0 "[ . 1 . 2]" 1
508 1 24 PHE H 1 25 SER H . . 4.800 4.495 4.377 4.620 . 0 0 "[ . 1 . 2]" 1
509 1 24 PHE H 1 81 GLU QG . . 5.030 4.233 3.324 4.511 . 0 0 "[ . 1 . 2]" 1
510 1 24 PHE HA 1 24 PHE QD . . 4.360 3.247 1.878 3.708 . 0 0 "[ . 1 . 2]" 1
511 1 24 PHE HA 1 25 SER H . . 2.810 2.494 2.205 2.653 . 0 0 "[ . 1 . 2]" 1
512 1 24 PHE HA 1 25 SER QB . . 5.410 3.888 3.784 4.721 . 0 0 "[ . 1 . 2]" 1
513 1 24 PHE QB 1 25 SER H . . 3.170 2.593 1.926 3.212 0.042 13 0 "[ . 1 . 2]" 1
514 1 24 PHE QD 1 25 SER H . . 3.490 2.646 2.222 3.382 . 0 0 "[ . 1 . 2]" 1
515 1 24 PHE QD 1 25 SER HA . . 5.500 3.936 3.424 4.989 . 0 0 "[ . 1 . 2]" 1
516 1 24 PHE QE 1 25 SER H . . 5.500 4.373 3.529 5.309 . 0 0 "[ . 1 . 2]" 1
517 1 25 SER H 1 25 SER QB . . 3.000 2.692 2.491 2.866 . 0 0 "[ . 1 . 2]" 1
518 1 25 SER H 1 26 PRO HA . . 5.500 5.030 4.804 5.531 0.031 18 0 "[ . 1 . 2]" 1
519 1 25 SER H 1 26 PRO QD . . 5.350 4.316 4.209 4.370 . 0 0 "[ . 1 . 2]" 1
520 1 25 SER H 1 28 LYS H . . 5.050 4.026 3.506 4.537 . 0 0 "[ . 1 . 2]" 1
521 1 25 SER H 1 28 LYS QB . . 3.870 2.558 2.051 3.248 . 0 0 "[ . 1 . 2]" 1
522 1 25 SER HA 1 26 PRO HB2 . . 5.500 5.617 5.548 5.649 0.149 5 0 "[ . 1 . 2]" 1
523 1 25 SER HA 1 26 PRO HD2 . . 3.170 2.466 2.309 2.536 . 0 0 "[ . 1 . 2]" 1
524 1 25 SER HA 1 26 PRO QD . . 2.630 2.129 2.039 2.171 . 0 0 "[ . 1 . 2]" 1
525 1 25 SER HA 1 26 PRO HD3 . . 3.170 2.328 2.269 2.360 . 0 0 "[ . 1 . 2]" 1
526 1 25 SER HA 1 26 PRO HG3 . . 5.500 4.513 4.419 4.558 . 0 0 "[ . 1 . 2]" 1
527 1 25 SER HA 1 27 LYS H . . 4.430 4.008 3.856 4.129 . 0 0 "[ . 1 . 2]" 1
528 1 25 SER HA 1 84 THR MG . . 5.500 3.666 3.347 4.071 . 0 0 "[ . 1 . 2]" 1
529 1 25 SER QB 1 26 PRO QD . . 4.180 2.405 1.925 2.914 . 0 0 "[ . 1 . 2]" 1
530 1 25 SER QB 1 27 LYS QG . . 5.270 2.815 2.448 3.565 . 0 0 "[ . 1 . 2]" 1
531 1 25 SER QB 1 28 LYS H . . 3.240 3.222 2.659 3.467 0.227 9 0 "[ . 1 . 2]" 1
532 1 25 SER QB 1 28 LYS HA . . 4.780 4.396 4.112 4.518 . 0 0 "[ . 1 . 2]" 1
533 1 25 SER QB 1 28 LYS QB . . 2.450 2.340 1.922 2.734 0.284 18 0 "[ . 1 . 2]" 1
534 1 25 SER QB 1 28 LYS HG2 . . 4.150 2.597 2.336 2.890 . 0 0 "[ . 1 . 2]" 1
535 1 25 SER QB 1 28 LYS QG . . 3.530 2.124 1.936 2.438 . 0 0 "[ . 1 . 2]" 1
536 1 25 SER QB 1 28 LYS HG3 . . 4.150 2.285 1.975 3.078 . 0 0 "[ . 1 . 2]" 1
537 1 25 SER QB 1 29 PHE H . . 4.990 5.072 4.730 5.347 0.357 7 0 "[ . 1 . 2]" 1
538 1 26 PRO HA 1 27 LYS H . . 3.560 3.441 3.403 3.529 . 0 0 "[ . 1 . 2]" 1
539 1 26 PRO HA 1 27 LYS HA . . 5.150 4.544 4.518 4.621 . 0 0 "[ . 1 . 2]" 1
540 1 26 PRO HA 1 28 LYS H . . 4.190 3.923 3.694 4.032 . 0 0 "[ . 1 . 2]" 1
541 1 26 PRO HA 1 30 PHE QD . . 5.500 6.206 5.768 6.574 1.074 16 15 "[* ******** ** .+-* *]" 1
542 1 26 PRO HA 1 85 PHE HA . . 5.500 4.424 4.237 4.769 . 0 0 "[ . 1 . 2]" 1
543 1 26 PRO HA 1 85 PHE HB2 . . 5.500 4.525 4.220 4.901 . 0 0 "[ . 1 . 2]" 1
544 1 26 PRO HA 1 85 PHE HD2 . . 3.810 2.684 2.339 3.241 . 0 0 "[ . 1 . 2]" 1
545 1 26 PRO HA 1 105 MET ME . . 5.500 3.711 3.292 4.142 . 0 0 "[ . 1 . 2]" 1
546 1 26 PRO HB2 1 27 LYS H . . 3.760 3.643 3.305 3.754 . 0 0 "[ . 1 . 2]" 1
547 1 26 PRO HB2 1 27 LYS QE . . 4.540 3.958 3.399 4.820 0.280 20 0 "[ . 1 . 2]" 1
548 1 26 PRO HB2 1 85 PHE HD2 . . 4.350 3.671 3.287 4.030 . 0 0 "[ . 1 . 2]" 1
549 1 26 PRO HB2 1 105 MET ME . . 3.190 1.988 1.884 2.217 . 0 0 "[ . 1 . 2]" 1
550 1 26 PRO HB3 1 27 LYS H . . 4.410 4.320 4.124 4.384 . 0 0 "[ . 1 . 2]" 1
551 1 26 PRO HB3 1 27 LYS HA . . 5.500 5.716 5.605 5.758 0.258 5 0 "[ . 1 . 2]" 1
552 1 26 PRO HB3 1 27 LYS QE . . 5.340 4.987 4.479 5.940 0.600 20 3 "[ - 1 * . +]" 1
553 1 26 PRO HB3 1 85 PHE HA . . 3.930 2.154 1.983 2.488 . 0 0 "[ . 1 . 2]" 1
554 1 26 PRO HB3 1 85 PHE HD2 . . 3.590 2.232 2.002 2.457 . 0 0 "[ . 1 . 2]" 1
555 1 26 PRO HB3 1 105 MET ME . . 3.720 2.635 2.411 3.103 . 0 0 "[ . 1 . 2]" 1
556 1 26 PRO QD 1 27 LYS H . . 3.260 2.690 2.601 2.746 . 0 0 "[ . 1 . 2]" 1
557 1 26 PRO QD 1 27 LYS QG . . 5.180 3.730 2.908 3.994 . 0 0 "[ . 1 . 2]" 1
558 1 26 PRO QD 1 28 LYS H . . 5.230 4.532 4.155 4.776 . 0 0 "[ . 1 . 2]" 1
559 1 26 PRO QD 1 84 THR HA . . 5.350 4.994 4.761 5.220 . 0 0 "[ . 1 . 2]" 1
560 1 26 PRO QD 1 84 THR HB . . 3.760 2.852 2.661 3.126 . 0 0 "[ . 1 . 2]" 1
561 1 26 PRO QD 1 84 THR MG . . 3.390 2.070 1.956 2.317 . 0 0 "[ . 1 . 2]" 1
562 1 26 PRO QD 1 88 ALA MB . . 5.350 4.154 3.882 4.407 . 0 0 "[ . 1 . 2]" 1
563 1 26 PRO HD2 1 27 LYS H . . 3.950 2.743 2.645 2.804 . 0 0 "[ . 1 . 2]" 1
564 1 26 PRO HD2 1 84 THR HB . . 4.470 4.089 3.802 4.301 . 0 0 "[ . 1 . 2]" 1
565 1 26 PRO HD2 1 84 THR MG . . 3.990 2.356 2.136 2.659 . 0 0 "[ . 1 . 2]" 1
566 1 26 PRO HD2 1 85 PHE H . . 5.500 5.359 5.081 5.552 0.052 18 0 "[ . 1 . 2]" 1
567 1 26 PRO HD3 1 27 LYS H . . 3.950 3.892 3.835 3.925 . 0 0 "[ . 1 . 2]" 1
568 1 26 PRO HD3 1 84 THR HB . . 4.470 2.912 2.702 3.210 . 0 0 "[ . 1 . 2]" 1
569 1 26 PRO HD3 1 84 THR MG . . 3.990 2.312 2.155 2.667 . 0 0 "[ . 1 . 2]" 1
570 1 26 PRO HD3 1 85 PHE H . . 5.500 3.894 3.574 4.165 . 0 0 "[ . 1 . 2]" 1
571 1 26 PRO HG2 1 27 LYS H . . 2.890 2.803 2.333 2.972 0.082 10 0 "[ . 1 . 2]" 1
572 1 26 PRO HG2 1 84 THR HB . . 4.850 4.733 4.530 4.884 0.034 10 0 "[ . 1 . 2]" 1
573 1 26 PRO HG2 1 84 THR MG . . 4.300 2.826 2.709 2.937 . 0 0 "[ . 1 . 2]" 1
574 1 26 PRO HG2 1 85 PHE H . . 5.500 5.264 5.043 5.342 . 0 0 "[ . 1 . 2]" 1
575 1 26 PRO HG2 1 85 PHE HA . . 3.900 3.863 3.701 4.064 0.164 20 0 "[ . 1 . 2]" 1
576 1 26 PRO HG2 1 85 PHE HB2 . . 5.500 5.493 5.126 5.559 0.059 17 0 "[ . 1 . 2]" 1
577 1 26 PRO HG3 1 27 LYS H . . 4.200 4.205 3.854 4.332 0.132 10 0 "[ . 1 . 2]" 1
578 1 26 PRO HG3 1 84 THR H . . 5.500 5.480 5.343 5.576 0.076 13 0 "[ . 1 . 2]" 1
579 1 26 PRO HG3 1 84 THR HA . . 5.010 4.370 4.242 4.518 . 0 0 "[ . 1 . 2]" 1
580 1 26 PRO HG3 1 85 PHE H . . 4.180 3.510 3.271 3.585 . 0 0 "[ . 1 . 2]" 1
581 1 26 PRO HG3 1 85 PHE HA . . 3.790 2.525 2.294 2.703 . 0 0 "[ . 1 . 2]" 1
582 1 26 PRO HG3 1 85 PHE HB2 . . 5.500 4.037 3.652 4.161 . 0 0 "[ . 1 . 2]" 1
583 1 26 PRO HG3 1 85 PHE HD2 . . 4.920 4.328 4.045 4.450 . 0 0 "[ . 1 . 2]" 1
584 1 26 PRO HG3 1 86 LEU H . . 5.500 5.444 5.282 5.543 0.043 4 0 "[ . 1 . 2]" 1
585 1 26 PRO HG3 1 105 MET ME . . 4.920 3.599 3.279 3.883 . 0 0 "[ . 1 . 2]" 1
586 1 27 LYS H 1 27 LYS QB . . 2.730 2.842 2.566 2.998 0.268 5 0 "[ . 1 . 2]" 1
587 1 27 LYS H 1 27 LYS HD2 . . 5.490 3.789 1.946 4.644 . 0 0 "[ . 1 . 2]" 1
588 1 27 LYS H 1 27 LYS QD . . 4.680 3.409 1.935 4.061 . 0 0 "[ . 1 . 2]" 1
589 1 27 LYS H 1 27 LYS HD3 . . 5.490 4.080 3.083 4.579 . 0 0 "[ . 1 . 2]" 1
590 1 27 LYS H 1 27 LYS QG . . 3.000 2.316 1.936 2.530 . 0 0 "[ . 1 . 2]" 1
591 1 27 LYS H 1 28 LYS H . . 2.720 2.505 2.034 2.743 0.023 11 0 "[ . 1 . 2]" 1
592 1 27 LYS H 1 28 LYS HA . . 5.320 4.764 4.596 5.036 . 0 0 "[ . 1 . 2]" 1
593 1 27 LYS H 1 30 PHE QE . . 5.400 5.272 4.947 5.487 0.087 8 0 "[ . 1 . 2]" 1
594 1 27 LYS H 1 105 MET ME . . 5.310 4.932 4.614 5.038 . 0 0 "[ . 1 . 2]" 1
595 1 27 LYS HA 1 27 LYS HB2 . . 2.980 2.443 2.350 2.955 . 0 0 "[ . 1 . 2]" 1
596 1 27 LYS HA 1 27 LYS QB . . 2.480 2.179 2.174 2.202 . 0 0 "[ . 1 . 2]" 1
597 1 27 LYS HA 1 27 LYS HB3 . . 2.980 2.490 2.255 2.560 . 0 0 "[ . 1 . 2]" 1
598 1 27 LYS HA 1 27 LYS QD . . 4.720 4.143 2.470 4.508 . 0 0 "[ . 1 . 2]" 1
599 1 27 LYS HA 1 27 LYS HE2 . . 5.500 4.661 3.457 5.876 0.376 20 0 "[ . 1 . 2]" 1
600 1 27 LYS HA 1 27 LYS HE3 . . 5.500 4.851 4.008 5.496 . 0 0 "[ . 1 . 2]" 1
601 1 27 LYS HA 1 27 LYS HG2 . . 4.140 3.585 3.490 3.642 . 0 0 "[ . 1 . 2]" 1
602 1 27 LYS HA 1 27 LYS QG . . 3.530 3.338 3.279 3.406 . 0 0 "[ . 1 . 2]" 1
603 1 27 LYS HA 1 27 LYS HG3 . . 4.140 3.987 3.855 4.195 0.055 5 0 "[ . 1 . 2]" 1
604 1 27 LYS HA 1 28 LYS H . . 3.360 2.967 2.854 3.238 . 0 0 "[ . 1 . 2]" 1
605 1 27 LYS HA 1 28 LYS HA . . 4.570 4.440 4.409 4.576 0.006 10 0 "[ . 1 . 2]" 1
606 1 27 LYS HA 1 29 PHE H . . 4.600 3.514 3.321 3.624 . 0 0 "[ . 1 . 2]" 1
607 1 27 LYS HA 1 30 PHE H . . 4.260 4.081 3.608 4.343 0.083 1 0 "[ . 1 . 2]" 1
608 1 27 LYS HA 1 30 PHE QD . . 3.370 2.486 2.122 2.745 . 0 0 "[ . 1 . 2]" 1
609 1 27 LYS HA 1 30 PHE QE . . 4.130 3.103 2.630 3.480 . 0 0 "[ . 1 . 2]" 1
610 1 27 LYS HA 1 105 MET ME . . 5.500 4.915 4.605 5.080 . 0 0 "[ . 1 . 2]" 1
611 1 27 LYS QB 1 27 LYS QE . . 4.510 2.192 1.958 3.686 . 0 0 "[ . 1 . 2]" 1
612 1 27 LYS QB 1 27 LYS QG . . 2.300 2.037 2.000 2.064 . 0 0 "[ . 1 . 2]" 1
613 1 27 LYS QE 1 27 LYS QG . . 2.920 2.287 2.119 2.525 . 0 0 "[ . 1 . 2]" 1
614 1 27 LYS QE 1 28 LYS H . . 5.340 5.123 4.395 6.199 0.859 10 4 "[ *- + * . 2]" 1
615 1 27 LYS HE2 1 88 ALA MB . . 5.500 3.513 2.026 4.514 . 0 0 "[ . 1 . 2]" 1
616 1 27 LYS HE3 1 88 ALA MB . . 5.500 4.033 2.346 4.869 . 0 0 "[ . 1 . 2]" 1
617 1 27 LYS QG 1 28 LYS H . . 4.600 3.595 3.407 3.972 . 0 0 "[ . 1 . 2]" 1
618 1 27 LYS HG2 1 30 PHE QD . . 5.500 5.386 5.071 5.501 0.001 8 0 "[ . 1 . 2]" 1
619 1 27 LYS HG3 1 30 PHE QD . . 5.500 5.381 4.968 5.572 0.072 10 0 "[ . 1 . 2]" 1
620 1 28 LYS H 1 28 LYS QB . . 2.780 2.542 2.331 2.636 . 0 0 "[ . 1 . 2]" 1
621 1 28 LYS H 1 28 LYS HD2 . . 5.500 5.181 4.683 5.477 . 0 0 "[ . 1 . 2]" 1
622 1 28 LYS H 1 28 LYS HD3 . . 5.500 4.760 4.341 5.376 . 0 0 "[ . 1 . 2]" 1
623 1 28 LYS H 1 28 LYS QE . . 5.340 5.527 5.037 5.912 0.572 5 4 "[ + 1 - ** 2]" 1
624 1 28 LYS H 1 28 LYS QG . . 3.700 3.226 2.894 3.423 . 0 0 "[ . 1 . 2]" 1
625 1 28 LYS H 1 29 PHE H . . 2.400 2.133 1.966 2.443 0.043 13 0 "[ . 1 . 2]" 1
626 1 28 LYS H 1 29 PHE HA . . 4.580 4.555 4.473 4.818 0.238 13 0 "[ . 1 . 2]" 1
627 1 28 LYS H 1 29 PHE QB . . 4.010 3.462 3.333 3.851 . 0 0 "[ . 1 . 2]" 1
628 1 28 LYS H 1 30 PHE H . . 3.980 3.889 3.748 4.156 0.176 13 0 "[ . 1 . 2]" 1
629 1 28 LYS H 1 30 PHE QB . . 5.500 5.369 5.310 5.517 0.017 10 0 "[ . 1 . 2]" 1
630 1 28 LYS H 1 31 GLN H . . 5.310 5.346 5.129 5.527 0.217 13 0 "[ . 1 . 2]" 1
631 1 28 LYS HA 1 28 LYS QD . . 3.270 2.183 2.055 2.519 . 0 0 "[ . 1 . 2]" 1
632 1 28 LYS HA 1 28 LYS QG . . 3.260 2.668 2.529 2.784 . 0 0 "[ . 1 . 2]" 1
633 1 28 LYS HA 1 30 PHE H . . 5.500 3.836 3.578 4.234 . 0 0 "[ . 1 . 2]" 1
634 1 28 LYS HA 1 30 PHE QD . . 5.500 4.109 3.904 4.366 . 0 0 "[ . 1 . 2]" 1
635 1 28 LYS HA 1 31 GLN H . . 4.170 3.868 3.704 3.960 . 0 0 "[ . 1 . 2]" 1
636 1 28 LYS HA 1 31 GLN QG . . 4.250 2.592 2.398 2.771 . 0 0 "[ . 1 . 2]" 1
637 1 28 LYS HA 1 32 ILE H . . 5.500 5.211 4.945 5.430 . 0 0 "[ . 1 . 2]" 1
638 1 28 LYS HA 1 32 ILE MD . . 5.470 3.810 3.279 4.070 . 0 0 "[ . 1 . 2]" 1
639 1 28 LYS QB 1 28 LYS QE . . 3.880 3.446 2.239 3.828 . 0 0 "[ . 1 . 2]" 1
640 1 28 LYS QB 1 29 PHE H . . 3.770 3.619 3.503 3.696 . 0 0 "[ . 1 . 2]" 1
641 1 28 LYS QB 1 31 GLN QG . . 5.300 4.346 4.115 4.558 . 0 0 "[ . 1 . 2]" 1
642 1 28 LYS QB 1 32 ILE MD . . 5.340 3.422 3.114 3.605 . 0 0 "[ . 1 . 2]" 1
643 1 28 LYS QD 1 31 GLN QG . . 5.240 3.568 3.294 4.109 . 0 0 "[ . 1 . 2]" 1
644 1 28 LYS QD 1 32 ILE MD . . 5.340 3.833 3.060 4.280 . 0 0 "[ . 1 . 2]" 1
645 1 28 LYS QE 1 31 GLN QG . . 4.450 5.136 4.674 5.744 1.294 2 13 "[ + -*** ** **** * *]" 1
646 1 29 PHE H 1 29 PHE QB . . 2.680 2.412 2.299 2.521 . 0 0 "[ . 1 . 2]" 1
647 1 29 PHE H 1 30 PHE H . . 3.220 1.963 1.864 2.042 . 0 0 "[ . 1 . 2]" 1
648 1 29 PHE H 1 30 PHE QB . . 4.430 3.897 3.745 4.077 . 0 0 "[ . 1 . 2]" 1
649 1 29 PHE H 1 32 ILE MD . . 5.500 4.388 4.159 4.527 . 0 0 "[ . 1 . 2]" 1
650 1 29 PHE HA 1 32 ILE H . . 4.210 3.523 3.321 3.762 . 0 0 "[ . 1 . 2]" 1
651 1 29 PHE HA 1 32 ILE HB . . 4.220 3.614 3.400 3.821 . 0 0 "[ . 1 . 2]" 1
652 1 29 PHE HA 1 32 ILE MD . . 3.080 2.633 2.259 2.940 . 0 0 "[ . 1 . 2]" 1
653 1 29 PHE HA 1 32 ILE HG12 . . 5.500 5.401 5.124 5.590 0.090 13 0 "[ . 1 . 2]" 1
654 1 29 PHE HA 1 33 SER H . . 4.830 4.022 3.871 4.150 . 0 0 "[ . 1 . 2]" 1
655 1 29 PHE QB 1 30 PHE H . . 3.250 3.180 2.855 3.507 0.257 7 0 "[ . 1 . 2]" 1
656 1 29 PHE QB 1 31 GLN H . . 5.100 4.687 4.395 4.928 . 0 0 "[ . 1 . 2]" 1
657 1 29 PHE QD 1 33 SER QB . . 4.850 2.707 2.094 3.625 . 0 0 "[ . 1 . 2]" 1
658 1 29 PHE QD 1 34 GLY H . . 5.500 5.217 4.680 5.500 0.000 8 0 "[ . 1 . 2]" 1
659 1 29 PHE QE 1 32 ILE HB . . 5.500 4.766 4.183 5.260 . 0 0 "[ . 1 . 2]" 1
660 1 29 PHE QE 1 33 SER QB . . 4.910 3.355 2.354 4.917 0.007 1 0 "[ . 1 . 2]" 1
661 1 30 PHE H 1 30 PHE QB . . 3.090 2.490 2.279 2.735 . 0 0 "[ . 1 . 2]" 1
662 1 30 PHE H 1 30 PHE QD . . 4.910 2.337 2.138 2.530 . 0 0 "[ . 1 . 2]" 1
663 1 30 PHE H 1 31 GLN H . . 2.830 2.315 1.946 2.579 . 0 0 "[ . 1 . 2]" 1
664 1 30 PHE H 1 31 GLN HA . . 5.150 4.907 4.620 5.124 . 0 0 "[ . 1 . 2]" 1
665 1 30 PHE H 1 33 SER H . . 5.150 4.643 4.382 4.819 . 0 0 "[ . 1 . 2]" 1
666 1 30 PHE H 1 35 MET HB2 . . 5.500 5.028 4.774 5.270 . 0 0 "[ . 1 . 2]" 1
667 1 30 PHE H 1 35 MET HG3 . . 5.500 4.710 4.133 5.400 . 0 0 "[ . 1 . 2]" 1
668 1 30 PHE HA 1 31 GLN H . . 3.530 3.363 3.301 3.400 . 0 0 "[ . 1 . 2]" 1
669 1 30 PHE HA 1 32 ILE H . . 4.500 4.280 4.130 4.420 . 0 0 "[ . 1 . 2]" 1
670 1 30 PHE HA 1 33 SER H . . 3.520 3.453 3.404 3.510 . 0 0 "[ . 1 . 2]" 1
671 1 30 PHE HA 1 34 GLY H . . 5.500 2.380 2.237 2.568 . 0 0 "[ . 1 . 2]" 1
672 1 30 PHE HA 1 36 SER H . . 4.390 3.538 3.319 3.808 . 0 0 "[ . 1 . 2]" 1
673 1 30 PHE QB 1 31 GLN H . . 4.480 3.735 3.687 3.803 . 0 0 "[ . 1 . 2]" 1
674 1 30 PHE QB 1 31 GLN QG . . 5.350 4.136 4.040 4.235 . 0 0 "[ . 1 . 2]" 1
675 1 30 PHE QB 1 33 SER H . . 5.500 5.050 5.013 5.105 . 0 0 "[ . 1 . 2]" 1
676 1 30 PHE QB 1 34 GLY H . . 4.110 3.844 3.740 3.966 . 0 0 "[ . 1 . 2]" 1
677 1 30 PHE QB 1 35 MET H . . 3.400 2.831 2.191 3.106 . 0 0 "[ . 1 . 2]" 1
678 1 30 PHE QB 1 35 MET HB2 . . 3.690 2.428 2.166 2.699 . 0 0 "[ . 1 . 2]" 1
679 1 30 PHE QB 1 35 MET HB3 . . 5.360 3.956 3.683 4.215 . 0 0 "[ . 1 . 2]" 1
680 1 30 PHE QB 1 35 MET ME . . 5.500 4.248 4.076 4.366 . 0 0 "[ . 1 . 2]" 1
681 1 30 PHE QB 1 35 MET HG2 . . 5.480 4.537 4.103 4.928 . 0 0 "[ . 1 . 2]" 1
682 1 30 PHE QB 1 35 MET HG3 . . 5.000 3.307 2.777 3.840 . 0 0 "[ . 1 . 2]" 1
683 1 30 PHE QB 1 36 SER H . . 3.650 1.903 1.872 1.927 . 0 0 "[ . 1 . 2]" 1
684 1 30 PHE QB 1 36 SER HA . . 5.500 4.054 3.972 4.218 . 0 0 "[ . 1 . 2]" 1
685 1 30 PHE QB 1 36 SER HB2 . . 3.750 4.064 3.213 4.485 0.735 20 7 "[ *-* * ** +]" 1
686 1 30 PHE QB 1 36 SER QB . . 3.150 2.660 2.417 3.143 . 0 0 "[ . 1 . 2]" 1
687 1 30 PHE QB 1 36 SER HB3 . . 3.750 2.781 2.438 4.085 0.335 13 0 "[ . 1 . 2]" 1
688 1 30 PHE QB 1 37 LYS QD . . 5.500 5.164 4.998 5.232 . 0 0 "[ . 1 . 2]" 1
689 1 30 PHE QB 1 106 VAL HA . . 4.680 3.926 3.719 4.161 . 0 0 "[ . 1 . 2]" 1
690 1 30 PHE QB 1 106 VAL MG1 . . 4.140 2.818 2.529 2.945 . 0 0 "[ . 1 . 2]" 1
691 1 30 PHE QD 1 36 SER QB . . 3.860 2.440 2.026 2.834 . 0 0 "[ . 1 . 2]" 1
692 1 30 PHE QD 1 37 LYS QD . . 4.390 4.076 3.548 4.352 . 0 0 "[ . 1 . 2]" 1
693 1 30 PHE QE 1 31 GLN HA . . 4.670 4.151 3.977 4.367 . 0 0 "[ . 1 . 2]" 1
694 1 31 GLN H 1 31 GLN HB2 . . 3.010 2.828 2.794 2.902 . 0 0 "[ . 1 . 2]" 1
695 1 31 GLN H 1 31 GLN QG . . 2.890 1.925 1.903 1.977 . 0 0 "[ . 1 . 2]" 1
696 1 31 GLN H 1 32 ILE H . . 2.950 2.318 2.182 2.419 . 0 0 "[ . 1 . 2]" 1
697 1 31 GLN H 1 32 ILE HA . . 5.500 5.015 4.904 5.094 . 0 0 "[ . 1 . 2]" 1
698 1 31 GLN H 1 32 ILE MD . . 4.340 3.341 3.024 3.511 . 0 0 "[ . 1 . 2]" 1
699 1 31 GLN H 1 32 ILE HG13 . . 4.470 4.730 4.594 4.784 0.314 10 0 "[ . 1 . 2]" 1
700 1 31 GLN H 1 34 GLY H . . 5.500 4.561 4.376 4.862 . 0 0 "[ . 1 . 2]" 1
701 1 31 GLN HA 1 31 GLN HB3 . . 2.540 2.310 2.286 2.322 . 0 0 "[ . 1 . 2]" 1
702 1 31 GLN HA 1 31 GLN QG . . 3.500 2.698 2.668 2.758 . 0 0 "[ . 1 . 2]" 1
703 1 31 GLN HA 1 33 SER H . . 4.640 4.493 4.325 4.700 0.060 17 0 "[ . 1 . 2]" 1
704 1 31 GLN HB2 1 32 ILE H . . 3.060 2.808 2.651 3.066 0.006 7 0 "[ . 1 . 2]" 1
705 1 31 GLN HB2 1 32 ILE HB . . 5.080 4.796 4.691 4.960 . 0 0 "[ . 1 . 2]" 1
706 1 31 GLN HB2 1 32 ILE MD . . 3.620 2.563 2.342 2.793 . 0 0 "[ . 1 . 2]" 1
707 1 31 GLN HB2 1 32 ILE HG13 . . 5.500 3.092 2.999 3.175 . 0 0 "[ . 1 . 2]" 1
708 1 31 GLN HB2 1 32 ILE MG . . 5.500 5.188 5.125 5.269 . 0 0 "[ . 1 . 2]" 1
709 1 31 GLN HB2 1 33 SER H . . 5.090 4.925 4.782 5.093 0.003 17 0 "[ . 1 . 2]" 1
710 1 31 GLN HE21 1 32 ILE H . . 5.500 4.580 4.219 5.571 0.071 13 0 "[ . 1 . 2]" 1
711 1 31 GLN HE21 1 32 ILE MD . . 5.400 3.076 2.680 4.677 . 0 0 "[ . 1 . 2]" 1
712 1 31 GLN QG 1 32 ILE H . . 3.800 3.534 3.502 3.557 . 0 0 "[ . 1 . 2]" 1
713 1 31 GLN QG 1 32 ILE MD . . 5.490 3.423 3.133 3.583 . 0 0 "[ . 1 . 2]" 1
714 1 32 ILE H 1 32 ILE HB . . 2.780 2.562 2.505 2.629 . 0 0 "[ . 1 . 2]" 1
715 1 32 ILE H 1 32 ILE MD . . 3.220 2.339 2.121 2.522 . 0 0 "[ . 1 . 2]" 1
716 1 32 ILE H 1 32 ILE HG12 . . 3.870 4.018 3.895 4.100 0.230 5 0 "[ . 1 . 2]" 1
717 1 32 ILE H 1 32 ILE HG13 . . 3.030 2.911 2.760 3.045 0.015 11 0 "[ . 1 . 2]" 1
718 1 32 ILE H 1 33 SER H . . 3.300 2.231 2.118 2.300 . 0 0 "[ . 1 . 2]" 1
719 1 32 ILE H 1 34 GLY H . . 4.760 4.384 4.077 4.521 . 0 0 "[ . 1 . 2]" 1
720 1 32 ILE HA 1 32 ILE MD . . 4.290 3.604 3.527 3.654 . 0 0 "[ . 1 . 2]" 1
721 1 32 ILE HA 1 32 ILE HG12 . . 3.550 3.399 3.315 3.523 . 0 0 "[ . 1 . 2]" 1
722 1 32 ILE HA 1 32 ILE HG13 . . 3.230 2.403 2.355 2.456 . 0 0 "[ . 1 . 2]" 1
723 1 32 ILE HA 1 32 ILE MG . . 2.470 2.297 2.232 2.350 . 0 0 "[ . 1 . 2]" 1
724 1 32 ILE HB 1 32 ILE MD . . 2.550 2.045 2.006 2.139 . 0 0 "[ . 1 . 2]" 1
725 1 32 ILE HB 1 33 SER H . . 3.120 2.894 2.683 3.018 . 0 0 "[ . 1 . 2]" 1
726 1 32 ILE HB 1 33 SER QB . . 5.340 3.905 3.798 4.659 . 0 0 "[ . 1 . 2]" 1
727 1 32 ILE HB 1 34 GLY H . . 5.500 5.557 5.437 5.617 0.117 14 0 "[ . 1 . 2]" 1
728 1 32 ILE MD 1 32 ILE HG12 . . 2.530 2.080 2.072 2.106 . 0 0 "[ . 1 . 2]" 1
729 1 32 ILE HG12 1 32 ILE MG . . 2.660 2.078 2.027 2.124 . 0 0 "[ . 1 . 2]" 1
730 1 32 ILE HG12 1 33 SER H . . 5.270 5.300 5.206 5.398 0.128 10 0 "[ . 1 . 2]" 1
731 1 32 ILE HG13 1 33 SER H . . 4.580 4.584 4.521 4.635 0.055 4 0 "[ . 1 . 2]" 1
732 1 33 SER H 1 33 SER HB2 . . 3.840 2.775 2.424 3.697 . 0 0 "[ . 1 . 2]" 1
733 1 33 SER H 1 33 SER QB . . 3.080 2.409 2.293 2.667 . 0 0 "[ . 1 . 2]" 1
734 1 33 SER H 1 33 SER HB3 . . 3.840 2.777 2.498 3.654 . 0 0 "[ . 1 . 2]" 1
735 1 33 SER H 1 34 GLY H . . 2.980 2.673 2.467 2.874 . 0 0 "[ . 1 . 2]" 1
736 1 33 SER H 1 34 GLY HA2 . . 5.290 4.567 4.432 4.733 . 0 0 "[ . 1 . 2]" 1
737 1 33 SER H 1 34 GLY HA3 . . 5.150 5.001 4.886 5.172 0.022 17 0 "[ . 1 . 2]" 1
738 1 33 SER HA 1 33 SER QB . . 2.580 2.386 2.182 2.498 . 0 0 "[ . 1 . 2]" 1
739 1 33 SER HA 1 34 GLY HA3 . . 5.170 4.537 4.535 4.539 . 0 0 "[ . 1 . 2]" 1
740 1 33 SER QB 1 34 GLY H . . 3.120 2.142 1.892 3.101 . 0 0 "[ . 1 . 2]" 1
741 1 33 SER QB 1 34 GLY HA3 . . 5.340 4.256 4.053 4.628 . 0 0 "[ . 1 . 2]" 1
742 1 33 SER QB 1 70 PHE QD . . 5.340 5.015 4.371 5.395 0.055 15 0 "[ . 1 . 2]" 1
743 1 34 GLY H 1 34 GLY HA2 . . 2.730 2.504 2.470 2.550 . 0 0 "[ . 1 . 2]" 1
744 1 34 GLY H 1 35 MET H . . 2.400 1.962 1.877 2.373 . 0 0 "[ . 1 . 2]" 1
745 1 34 GLY H 1 35 MET HA . . 4.720 4.449 4.370 4.520 . 0 0 "[ . 1 . 2]" 1
746 1 34 GLY H 1 35 MET HB2 . . 4.610 4.448 4.316 4.666 0.056 20 0 "[ . 1 . 2]" 1
747 1 34 GLY H 1 35 MET HB3 . . 5.500 5.384 5.280 5.474 . 0 0 "[ . 1 . 2]" 1
748 1 34 GLY H 1 35 MET HG2 . . 5.500 4.200 3.866 4.606 . 0 0 "[ . 1 . 2]" 1
749 1 34 GLY H 1 35 MET HG3 . . 4.550 2.908 2.798 2.985 . 0 0 "[ . 1 . 2]" 1
750 1 34 GLY H 1 36 SER H . . 4.830 4.330 4.172 4.715 . 0 0 "[ . 1 . 2]" 1
751 1 34 GLY HA2 1 35 MET H . . 3.110 2.874 2.562 2.971 . 0 0 "[ . 1 . 2]" 1
752 1 34 GLY HA2 1 37 LYS QD . . 3.810 3.862 3.683 4.306 0.496 20 0 "[ . 1 . 2]" 1
753 1 34 GLY HA2 1 37 LYS HE2 . . 5.500 5.277 3.627 5.993 0.493 18 0 "[ . 1 . 2]" 1
754 1 34 GLY HA2 1 37 LYS HE3 . . 5.500 5.617 3.878 6.437 0.937 15 9 "[ * *.****1 +-* 2]" 1
755 1 34 GLY HA2 1 37 LYS HG2 . . 4.880 2.327 2.177 2.630 . 0 0 "[ . 1 . 2]" 1
756 1 34 GLY HA2 1 37 LYS HG3 . . 5.500 3.281 3.028 3.587 . 0 0 "[ . 1 . 2]" 1
757 1 34 GLY HA2 1 38 LYS HE2 . . 5.490 5.218 4.998 5.378 . 0 0 "[ . 1 . 2]" 1
758 1 34 GLY HA3 1 35 MET HA . . 5.500 4.618 4.598 4.634 . 0 0 "[ . 1 . 2]" 1
759 1 34 GLY HA3 1 37 LYS H . . 5.130 4.231 4.121 4.458 . 0 0 "[ . 1 . 2]" 1
760 1 34 GLY HA3 1 37 LYS QB . . 5.340 3.602 3.389 3.795 . 0 0 "[ . 1 . 2]" 1
761 1 34 GLY HA3 1 37 LYS QD . . 5.500 4.816 4.603 5.187 . 0 0 "[ . 1 . 2]" 1
762 1 34 GLY HA3 1 37 LYS HG2 . . 5.500 3.147 2.891 3.396 . 0 0 "[ . 1 . 2]" 1
763 1 34 GLY HA3 1 37 LYS HG3 . . 5.500 3.501 3.288 3.770 . 0 0 "[ . 1 . 2]" 1
764 1 34 GLY HA3 1 38 LYS HE2 . . 4.660 4.497 4.275 4.667 0.007 14 0 "[ . 1 . 2]" 1
765 1 34 GLY HA3 1 38 LYS HE3 . . 4.730 4.046 3.650 4.240 . 0 0 "[ . 1 . 2]" 1
766 1 35 MET H 1 35 MET HB2 . . 2.790 2.663 2.613 2.712 . 0 0 "[ . 1 . 2]" 1
767 1 35 MET H 1 35 MET HB3 . . 3.920 3.592 3.578 3.651 . 0 0 "[ . 1 . 2]" 1
768 1 35 MET H 1 35 MET ME . . 5.500 4.591 4.518 4.713 . 0 0 "[ . 1 . 2]" 1
769 1 35 MET H 1 35 MET HG2 . . 4.130 3.107 2.859 3.353 . 0 0 "[ . 1 . 2]" 1
770 1 35 MET H 1 35 MET HG3 . . 2.970 1.956 1.922 2.254 . 0 0 "[ . 1 . 2]" 1
771 1 35 MET H 1 36 SER H . . 3.050 2.689 2.426 2.817 . 0 0 "[ . 1 . 2]" 1
772 1 35 MET H 1 36 SER HA . . 5.500 5.276 5.046 5.379 . 0 0 "[ . 1 . 2]" 1
773 1 35 MET H 1 37 LYS H . . 4.870 3.972 3.721 4.057 . 0 0 "[ . 1 . 2]" 1
774 1 35 MET H 1 37 LYS QD . . 5.500 5.546 5.283 5.908 0.408 19 0 "[ . 1 . 2]" 1
775 1 35 MET H 1 106 VAL MG1 . . 5.430 4.117 4.037 4.227 . 0 0 "[ . 1 . 2]" 1
776 1 35 MET HA 1 35 MET ME . . 4.710 3.833 3.613 4.101 . 0 0 "[ . 1 . 2]" 1
777 1 35 MET HA 1 35 MET HG2 . . 3.600 2.680 2.611 2.757 . 0 0 "[ . 1 . 2]" 1
778 1 35 MET HA 1 35 MET HG3 . . 3.190 3.238 3.015 3.381 0.191 20 0 "[ . 1 . 2]" 1
779 1 35 MET HA 1 37 LYS H . . 4.820 4.116 4.058 4.154 . 0 0 "[ . 1 . 2]" 1
780 1 35 MET HA 1 38 LYS H . . 3.770 3.573 3.453 3.637 . 0 0 "[ . 1 . 2]" 1
781 1 35 MET HA 1 38 LYS HE2 . . 4.840 4.479 4.310 4.597 . 0 0 "[ . 1 . 2]" 1
782 1 35 MET HA 1 38 LYS HG2 . . 3.330 2.616 2.408 2.774 . 0 0 "[ . 1 . 2]" 1
783 1 35 MET HA 1 38 LYS HG3 . . 3.030 2.885 2.646 3.018 . 0 0 "[ . 1 . 2]" 1
784 1 35 MET HA 1 43 LEU HA . . 5.500 5.566 5.516 5.633 0.133 15 0 "[ . 1 . 2]" 1
785 1 35 MET HA 1 43 LEU MD1 . . 5.500 4.913 4.691 4.985 . 0 0 "[ . 1 . 2]" 1
786 1 35 MET HA 1 43 LEU MD2 . . 3.470 2.754 2.654 2.859 . 0 0 "[ . 1 . 2]" 1
787 1 35 MET HA 1 46 ILE MD . . 5.500 4.483 4.209 4.787 . 0 0 "[ . 1 . 2]" 1
788 1 35 MET HA 1 106 VAL MG1 . . 5.160 3.595 3.539 3.720 . 0 0 "[ . 1 . 2]" 1
789 1 35 MET HB2 1 35 MET HG3 . . 2.620 2.444 2.369 2.541 . 0 0 "[ . 1 . 2]" 1
790 1 35 MET HB2 1 36 SER H . . 3.360 2.366 2.283 2.411 . 0 0 "[ . 1 . 2]" 1
791 1 35 MET HB2 1 36 SER HA . . 4.760 4.034 3.971 4.096 . 0 0 "[ . 1 . 2]" 1
792 1 35 MET HB2 1 36 SER HB2 . . 5.500 5.339 4.651 5.543 0.043 8 0 "[ . 1 . 2]" 1
793 1 35 MET HB2 1 36 SER QB . . 4.730 4.042 3.886 4.681 . 0 0 "[ . 1 . 2]" 1
794 1 35 MET HB2 1 36 SER HB3 . . 5.500 4.246 3.990 5.535 0.035 19 0 "[ . 1 . 2]" 1
795 1 35 MET HB2 1 43 LEU MD1 . . 5.500 4.833 4.560 4.989 . 0 0 "[ . 1 . 2]" 1
796 1 35 MET HB2 1 43 LEU MD2 . . 4.030 3.159 2.976 3.277 . 0 0 "[ . 1 . 2]" 1
797 1 35 MET HB2 1 106 VAL HA . . 4.550 4.380 4.273 4.476 . 0 0 "[ . 1 . 2]" 1
798 1 35 MET HB2 1 106 VAL MG1 . . 2.830 2.092 1.982 2.216 . 0 0 "[ . 1 . 2]" 1
799 1 35 MET HB3 1 36 SER H . . 4.420 3.630 3.532 3.715 . 0 0 "[ . 1 . 2]" 1
800 1 35 MET HB3 1 43 LEU MD2 . . 4.080 2.098 1.997 2.238 . 0 0 "[ . 1 . 2]" 1
801 1 35 MET ME 1 36 SER H . . 5.500 4.902 4.681 5.055 . 0 0 "[ . 1 . 2]" 1
802 1 35 MET ME 1 43 LEU HA . . 5.500 4.125 3.687 4.628 . 0 0 "[ . 1 . 2]" 1
803 1 35 MET ME 1 43 LEU MD2 . . 3.300 2.376 2.163 2.732 . 0 0 "[ . 1 . 2]" 1
804 1 35 MET ME 1 46 ILE MD . . 3.210 2.416 1.894 3.233 0.023 8 0 "[ . 1 . 2]" 1
805 1 35 MET ME 1 106 VAL MG1 . . 2.730 2.407 2.016 2.794 0.064 10 0 "[ . 1 . 2]" 1
806 1 35 MET ME 1 106 VAL MG2 . . 3.960 2.392 2.073 2.803 . 0 0 "[ . 1 . 2]" 1
807 1 35 MET HG2 1 46 ILE MD . . 4.070 3.796 3.276 4.414 0.344 14 0 "[ . 1 . 2]" 1
808 1 35 MET HG3 1 36 SER H . . 4.540 3.899 3.768 4.058 . 0 0 "[ . 1 . 2]" 1
809 1 35 MET HG3 1 43 LEU MD2 . . 5.430 4.467 4.385 4.638 . 0 0 "[ . 1 . 2]" 1
810 1 35 MET HG3 1 106 VAL MG1 . . 5.450 4.037 3.928 4.171 . 0 0 "[ . 1 . 2]" 1
811 1 36 SER H 1 36 SER HB2 . . 3.270 3.432 2.724 3.583 0.313 15 0 "[ . 1 . 2]" 1
812 1 36 SER H 1 36 SER QB . . 2.710 2.333 2.096 2.653 . 0 0 "[ . 1 . 2]" 1
813 1 36 SER H 1 36 SER HB3 . . 3.270 2.454 2.134 3.576 0.306 19 0 "[ . 1 . 2]" 1
814 1 36 SER H 1 37 LYS H . . 2.860 2.752 2.742 2.765 . 0 0 "[ . 1 . 2]" 1
815 1 36 SER H 1 37 LYS QD . . 4.630 4.469 4.285 4.637 0.007 3 0 "[ . 1 . 2]" 1
816 1 36 SER H 1 38 LYS H . . 4.320 4.102 4.051 4.152 . 0 0 "[ . 1 . 2]" 1
817 1 36 SER H 1 38 LYS HG2 . . 5.330 4.866 4.686 4.999 . 0 0 "[ . 1 . 2]" 1
818 1 36 SER H 1 106 VAL MG1 . . 3.930 2.688 2.553 2.775 . 0 0 "[ . 1 . 2]" 1
819 1 36 SER HA 1 37 LYS QD . . 5.500 4.871 4.668 5.041 . 0 0 "[ . 1 . 2]" 1
820 1 36 SER HA 1 38 LYS H . . 4.660 3.651 3.593 3.845 . 0 0 "[ . 1 . 2]" 1
821 1 36 SER HA 1 43 LEU MD1 . . 5.500 3.344 3.126 3.494 . 0 0 "[ . 1 . 2]" 1
822 1 36 SER HA 1 43 LEU MD2 . . 4.600 3.287 3.136 3.417 . 0 0 "[ . 1 . 2]" 1
823 1 36 SER HA 1 106 VAL HA . . 5.470 4.620 4.351 4.859 . 0 0 "[ . 1 . 2]" 1
824 1 36 SER HA 1 106 VAL HB . . 5.500 3.630 3.299 3.814 . 0 0 "[ . 1 . 2]" 1
825 1 36 SER HA 1 106 VAL MG1 . . 2.880 2.006 1.872 2.104 . 0 0 "[ . 1 . 2]" 1
826 1 36 SER HA 1 106 VAL MG2 . . 5.500 4.600 4.374 4.704 . 0 0 "[ . 1 . 2]" 1
827 1 36 SER HA 1 107 GLN H . . 5.010 3.525 3.247 3.747 . 0 0 "[ . 1 . 2]" 1
828 1 36 SER HA 1 107 GLN HA . . 3.750 2.784 2.562 3.041 . 0 0 "[ . 1 . 2]" 1
829 1 36 SER HA 1 107 GLN HB2 . . 5.220 4.703 4.446 5.013 . 0 0 "[ . 1 . 2]" 1
830 1 36 SER QB 1 37 LYS H . . 3.760 3.358 2.700 3.499 . 0 0 "[ . 1 . 2]" 1
831 1 36 SER QB 1 37 LYS QD . . 3.680 3.601 2.771 3.741 0.061 5 0 "[ . 1 . 2]" 1
832 1 36 SER QB 1 37 LYS QE . . 4.130 5.176 4.202 5.608 1.478 1 18 "[+**********- ***** *]" 1
833 1 36 SER QB 1 37 LYS HG2 . . 5.340 4.434 3.495 4.648 . 0 0 "[ . 1 . 2]" 1
834 1 36 SER QB 1 106 VAL HA . . 5.340 4.344 4.136 4.828 . 0 0 "[ . 1 . 2]" 1
835 1 36 SER QB 1 106 VAL MG1 . . 4.070 2.878 2.726 3.267 . 0 0 "[ . 1 . 2]" 1
836 1 36 SER QB 1 108 SER H . . 5.340 5.179 4.936 5.405 0.065 11 0 "[ . 1 . 2]" 1
837 1 36 SER HB2 1 37 LYS H . . 4.520 3.863 2.751 4.219 . 0 0 "[ . 1 . 2]" 1
838 1 36 SER HB2 1 107 GLN HG2 . . 5.500 4.162 3.650 5.625 0.125 19 0 "[ . 1 . 2]" 1
839 1 36 SER HB3 1 37 LYS H . . 4.520 3.796 3.089 3.960 . 0 0 "[ . 1 . 2]" 1
840 1 36 SER HB3 1 107 GLN HG2 . . 5.500 5.175 4.091 5.708 0.208 5 0 "[ . 1 . 2]" 1
841 1 37 LYS H 1 37 LYS HB2 . . 3.630 2.721 2.693 2.755 . 0 0 "[ . 1 . 2]" 1
842 1 37 LYS H 1 37 LYS QB . . 3.090 2.641 2.619 2.669 . 0 0 "[ . 1 . 2]" 1
843 1 37 LYS H 1 37 LYS HB3 . . 3.630 3.576 3.570 3.584 . 0 0 "[ . 1 . 2]" 1
844 1 37 LYS H 1 37 LYS QD . . 4.320 2.629 2.491 2.796 . 0 0 "[ . 1 . 2]" 1
845 1 37 LYS H 1 37 LYS HE2 . . 5.500 4.723 4.250 5.193 . 0 0 "[ . 1 . 2]" 1
846 1 37 LYS H 1 37 LYS HE3 . . 5.500 4.700 4.205 5.124 . 0 0 "[ . 1 . 2]" 1
847 1 37 LYS H 1 37 LYS HG2 . . 3.020 1.941 1.930 1.949 . 0 0 "[ . 1 . 2]" 1
848 1 37 LYS H 1 38 LYS H . . 2.590 2.620 2.592 2.659 0.069 3 0 "[ . 1 . 2]" 1
849 1 37 LYS H 1 38 LYS HG2 . . 3.930 3.766 3.660 3.832 . 0 0 "[ . 1 . 2]" 1
850 1 37 LYS H 1 38 LYS HG3 . . 5.460 5.430 5.294 5.488 0.028 8 0 "[ . 1 . 2]" 1
851 1 37 LYS H 1 43 LEU MD2 . . 5.500 4.756 4.691 4.829 . 0 0 "[ . 1 . 2]" 1
852 1 37 LYS HA 1 37 LYS QD . . 2.730 2.191 2.027 2.295 . 0 0 "[ . 1 . 2]" 1
853 1 37 LYS QB 1 37 LYS HG2 . . 2.630 2.302 2.288 2.320 . 0 0 "[ . 1 . 2]" 1
854 1 37 LYS QB 1 38 LYS H . . 4.280 3.083 2.935 3.180 . 0 0 "[ . 1 . 2]" 1
855 1 37 LYS QB 1 38 LYS HE2 . . 5.180 1.997 1.961 2.099 . 0 0 "[ . 1 . 2]" 1
856 1 37 LYS QD 1 37 LYS HG2 . . 2.400 2.180 2.160 2.217 . 0 0 "[ . 1 . 2]" 1
857 1 37 LYS QD 1 38 LYS H . . 4.870 4.545 4.446 4.630 . 0 0 "[ . 1 . 2]" 1
858 1 37 LYS QE 1 37 LYS HG3 . . 3.040 2.432 2.197 2.948 . 0 0 "[ . 1 . 2]" 1
859 1 37 LYS HG2 1 38 LYS H . . 5.500 4.160 4.059 4.219 . 0 0 "[ . 1 . 2]" 1
860 1 38 LYS H 1 38 LYS QB . . 3.180 2.583 2.533 2.604 . 0 0 "[ . 1 . 2]" 1
861 1 38 LYS H 1 38 LYS HD3 . . 4.220 4.040 3.912 4.160 . 0 0 "[ . 1 . 2]" 1
862 1 38 LYS H 1 38 LYS HE2 . . 4.150 2.912 2.613 3.179 . 0 0 "[ . 1 . 2]" 1
863 1 38 LYS H 1 38 LYS HE3 . . 4.940 4.331 4.037 4.559 . 0 0 "[ . 1 . 2]" 1
864 1 38 LYS H 1 38 LYS HG2 . . 4.050 2.131 1.978 2.254 . 0 0 "[ . 1 . 2]" 1
865 1 38 LYS H 1 38 LYS HG3 . . 3.960 3.595 3.495 3.697 . 0 0 "[ . 1 . 2]" 1
866 1 38 LYS H 1 39 SER H . . 4.660 4.464 4.344 4.594 . 0 0 "[ . 1 . 2]" 1
867 1 38 LYS H 1 43 LEU MD1 . . 5.010 4.249 4.164 4.310 . 0 0 "[ . 1 . 2]" 1
868 1 38 LYS H 1 43 LEU MD2 . . 4.240 3.541 3.469 3.617 . 0 0 "[ . 1 . 2]" 1
869 1 38 LYS H 1 106 VAL MG1 . . 5.490 4.112 3.916 4.278 . 0 0 "[ . 1 . 2]" 1
870 1 38 LYS H 1 107 GLN HG3 . . 5.500 4.697 4.308 5.043 . 0 0 "[ . 1 . 2]" 1
871 1 38 LYS HA 1 38 LYS HD3 . . 3.070 2.309 2.186 2.422 . 0 0 "[ . 1 . 2]" 1
872 1 38 LYS HA 1 38 LYS HE2 . . 5.330 2.961 2.759 3.212 . 0 0 "[ . 1 . 2]" 1
873 1 38 LYS HA 1 39 SER H . . 2.910 2.590 2.280 2.828 . 0 0 "[ . 1 . 2]" 1
874 1 38 LYS HA 1 43 LEU MD2 . . 5.260 4.904 4.774 5.022 . 0 0 "[ . 1 . 2]" 1
875 1 38 LYS QB 1 39 SER H . . 2.800 2.207 1.882 2.713 . 0 0 "[ . 1 . 2]" 1
876 1 38 LYS QB 1 42 GLN HB3 . . 4.390 2.440 2.194 2.592 . 0 0 "[ . 1 . 2]" 1
877 1 38 LYS HD2 1 38 LYS HG3 . . 2.530 2.226 2.222 2.237 . 0 0 "[ . 1 . 2]" 1
878 1 38 LYS HD2 1 42 GLN HE21 . . 4.210 3.429 2.870 3.872 . 0 0 "[ . 1 . 2]" 1
879 1 38 LYS HD2 1 42 GLN HE22 . . 5.500 2.740 2.188 3.253 . 0 0 "[ . 1 . 2]" 1
880 1 38 LYS HD3 1 39 SER H . . 3.880 3.788 3.629 3.866 . 0 0 "[ . 1 . 2]" 1
881 1 38 LYS HD3 1 42 GLN HE21 . . 4.470 3.577 3.166 3.908 . 0 0 "[ . 1 . 2]" 1
882 1 38 LYS HD3 1 42 GLN HE22 . . 5.500 2.584 2.096 3.027 . 0 0 "[ . 1 . 2]" 1
883 1 38 LYS HD3 1 42 GLN QG . . 5.340 4.514 4.134 4.870 . 0 0 "[ . 1 . 2]" 1
884 1 38 LYS HE2 1 38 LYS HG2 . . 3.960 2.142 2.061 2.287 . 0 0 "[ . 1 . 2]" 1
885 1 38 LYS HE2 1 38 LYS HG3 . . 3.590 3.460 3.403 3.565 . 0 0 "[ . 1 . 2]" 1
886 1 38 LYS HE2 1 39 SER H . . 5.450 5.326 5.052 5.477 0.027 2 0 "[ . 1 . 2]" 1
887 1 38 LYS HE3 1 38 LYS HG2 . . 3.110 2.767 2.576 2.881 . 0 0 "[ . 1 . 2]" 1
888 1 38 LYS HE3 1 38 LYS HG3 . . 3.840 3.434 3.237 3.618 . 0 0 "[ . 1 . 2]" 1
889 1 38 LYS HG2 1 39 SER H . . 5.050 4.755 4.541 5.028 . 0 0 "[ . 1 . 2]" 1
890 1 38 LYS HG2 1 42 GLN HB3 . . 5.170 4.970 4.794 5.166 . 0 0 "[ . 1 . 2]" 1
891 1 38 LYS HG3 1 39 SER H . . 5.230 4.651 4.297 5.165 . 0 0 "[ . 1 . 2]" 1
892 1 38 LYS HG3 1 42 GLN HB3 . . 5.350 3.620 3.334 3.884 . 0 0 "[ . 1 . 2]" 1
893 1 38 LYS HG3 1 43 LEU MD2 . . 4.160 3.137 2.800 3.332 . 0 0 "[ . 1 . 2]" 1
894 1 39 SER H 1 39 SER QB . . 2.620 2.414 2.205 2.557 . 0 0 "[ . 1 . 2]" 1
895 1 39 SER H 1 41 SER H . . 4.870 4.638 4.082 5.162 0.292 9 0 "[ . 1 . 2]" 1
896 1 39 SER H 1 42 GLN H . . 4.380 3.494 3.206 3.941 . 0 0 "[ . 1 . 2]" 1
897 1 39 SER H 1 42 GLN HB2 . . 3.330 2.239 1.922 2.644 . 0 0 "[ . 1 . 2]" 1
898 1 39 SER H 1 42 GLN HG2 . . 4.290 4.771 4.543 5.031 0.741 16 9 "[** . * * **+ * -]" 1
899 1 39 SER H 1 42 GLN QG . . 3.670 3.545 3.138 3.885 0.215 10 0 "[ . 1 . 2]" 1
900 1 39 SER H 1 42 GLN HG3 . . 4.290 3.661 3.198 4.073 . 0 0 "[ . 1 . 2]" 1
901 1 39 SER H 1 43 LEU MD1 . . 5.500 4.284 3.832 4.832 . 0 0 "[ . 1 . 2]" 1
902 1 39 SER H 1 43 LEU MD2 . . 5.500 4.686 4.183 5.268 . 0 0 "[ . 1 . 2]" 1
903 1 39 SER HA 1 40 SER H . . 2.950 2.423 2.325 2.616 . 0 0 "[ . 1 . 2]" 1
904 1 39 SER HA 1 107 GLN HE21 . . 5.500 5.403 5.039 5.569 0.069 8 0 "[ . 1 . 2]" 1
905 1 39 SER HA 1 107 GLN HE22 . . 4.720 4.511 4.188 4.716 . 0 0 "[ . 1 . 2]" 1
906 1 39 SER HA 1 107 GLN HG3 . . 5.500 4.899 4.337 5.296 . 0 0 "[ . 1 . 2]" 1
907 1 39 SER QB 1 40 SER H . . 3.880 2.980 2.398 3.364 . 0 0 "[ . 1 . 2]" 1
908 1 40 SER H 1 40 SER QB . . 3.300 2.746 2.058 2.932 . 0 0 "[ . 1 . 2]" 1
909 1 40 SER H 1 107 GLN HE21 . . 5.340 5.030 4.608 5.428 0.088 18 0 "[ . 1 . 2]" 1
910 1 40 SER H 1 107 GLN HE22 . . 4.830 3.532 3.106 3.837 . 0 0 "[ . 1 . 2]" 1
911 1 40 SER HA 1 43 LEU H . . 4.020 3.505 3.169 3.810 . 0 0 "[ . 1 . 2]" 1
912 1 40 SER HA 1 43 LEU HB2 . . 4.740 3.013 2.455 3.568 . 0 0 "[ . 1 . 2]" 1
913 1 40 SER HA 1 43 LEU MD1 . . 3.420 1.997 1.914 2.290 . 0 0 "[ . 1 . 2]" 1
914 1 40 SER HA 1 106 VAL MG2 . . 5.460 4.901 4.634 5.100 . 0 0 "[ . 1 . 2]" 1
915 1 40 SER HA 1 107 GLN HE21 . . 4.080 3.880 3.639 3.953 . 0 0 "[ . 1 . 2]" 1
916 1 40 SER HA 1 107 GLN HE22 . . 3.870 2.511 2.093 2.692 . 0 0 "[ . 1 . 2]" 1
917 1 40 SER HA 1 107 GLN HG2 . . 5.500 5.810 5.518 6.148 0.648 9 2 "[ -. +1 . 2]" 1
918 1 40 SER QB 1 107 GLN HE21 . . 4.490 4.121 3.890 4.320 . 0 0 "[ . 1 . 2]" 1
919 1 40 SER QB 1 107 GLN HE22 . . 4.200 2.597 2.334 2.830 . 0 0 "[ . 1 . 2]" 1
920 1 41 SER H 1 41 SER HB2 . . 4.140 2.789 2.208 3.648 . 0 0 "[ . 1 . 2]" 1
921 1 41 SER H 1 41 SER HB3 . . 4.140 3.235 2.537 3.689 . 0 0 "[ . 1 . 2]" 1
922 1 41 SER H 1 42 GLN H . . 4.040 2.398 2.032 2.695 . 0 0 "[ . 1 . 2]" 1
923 1 41 SER H 1 43 LEU H . . 4.760 3.937 3.543 4.375 . 0 0 "[ . 1 . 2]" 1
924 1 41 SER HA 1 44 LYS H . . 4.020 3.638 3.419 3.921 . 0 0 "[ . 1 . 2]" 1
925 1 41 SER HA 1 44 LYS QD . . 4.410 3.055 1.895 4.292 . 0 0 "[ . 1 . 2]" 1
926 1 41 SER HA 1 44 LYS HE2 . . 4.710 4.034 2.444 4.761 0.051 20 0 "[ . 1 . 2]" 1
927 1 41 SER HA 1 44 LYS QE . . 4.010 3.168 1.985 4.129 0.119 9 0 "[ . 1 . 2]" 1
928 1 41 SER HA 1 44 LYS HE3 . . 4.710 3.646 1.998 4.748 0.038 4 0 "[ . 1 . 2]" 1
929 1 41 SER HA 1 44 LYS HG2 . . 4.410 3.865 1.968 4.996 0.586 1 1 "[+ . 1 . 2]" 1
930 1 41 SER HA 1 44 LYS QG . . 3.760 2.979 1.958 3.764 0.004 7 0 "[ . 1 . 2]" 1
931 1 41 SER HA 1 44 LYS HG3 . . 4.410 3.596 2.766 4.468 0.058 16 0 "[ . 1 . 2]" 1
932 1 41 SER HA 1 45 GLU H . . 5.500 5.179 4.969 5.299 . 0 0 "[ . 1 . 2]" 1
933 1 41 SER HB2 1 42 GLN H . . 5.220 3.314 2.721 4.146 . 0 0 "[ . 1 . 2]" 1
934 1 41 SER HB3 1 42 GLN H . . 5.220 3.791 2.708 4.300 . 0 0 "[ . 1 . 2]" 1
935 1 42 GLN H 1 42 GLN HB2 . . 2.820 2.198 2.129 2.261 . 0 0 "[ . 1 . 2]" 1
936 1 42 GLN H 1 42 GLN HB3 . . 3.750 3.486 3.432 3.534 . 0 0 "[ . 1 . 2]" 1
937 1 42 GLN H 1 42 GLN HE21 . . 5.500 5.523 5.484 5.585 0.085 16 0 "[ . 1 . 2]" 1
938 1 42 GLN H 1 42 GLN QG . . 3.290 3.005 2.846 3.300 0.010 12 0 "[ . 1 . 2]" 1
939 1 42 GLN H 1 43 LEU H . . 3.280 2.412 2.182 2.637 . 0 0 "[ . 1 . 2]" 1
940 1 42 GLN H 1 43 LEU HB2 . . 4.900 4.747 4.471 4.939 0.039 7 0 "[ . 1 . 2]" 1
941 1 42 GLN H 1 43 LEU MD1 . . 5.340 4.304 4.040 4.602 . 0 0 "[ . 1 . 2]" 1
942 1 42 GLN H 1 43 LEU MD2 . . 4.880 5.254 5.037 5.451 0.571 1 3 "[+ .-* 1 . 2]" 1
943 1 42 GLN HA 1 42 GLN HE21 . . 4.940 4.030 3.880 4.188 . 0 0 "[ . 1 . 2]" 1
944 1 42 GLN HA 1 42 GLN HG2 . . 3.820 2.299 2.258 2.345 . 0 0 "[ . 1 . 2]" 1
945 1 42 GLN HA 1 42 GLN QG . . 3.300 2.213 2.196 2.234 . 0 0 "[ . 1 . 2]" 1
946 1 42 GLN HA 1 42 GLN HG3 . . 3.820 2.895 2.746 3.005 . 0 0 "[ . 1 . 2]" 1
947 1 42 GLN HA 1 45 GLU H . . 4.480 3.669 3.424 3.977 . 0 0 "[ . 1 . 2]" 1
948 1 42 GLN HB2 1 42 GLN HE21 . . 4.770 3.712 3.544 3.840 . 0 0 "[ . 1 . 2]" 1
949 1 42 GLN HB2 1 42 GLN HE22 . . 5.020 4.363 4.251 4.462 . 0 0 "[ . 1 . 2]" 1
950 1 42 GLN HB3 1 42 GLN HE21 . . 4.030 2.464 2.303 2.579 . 0 0 "[ . 1 . 2]" 1
951 1 42 GLN HB3 1 42 GLN HE22 . . 4.080 3.597 3.554 3.630 . 0 0 "[ . 1 . 2]" 1
952 1 42 GLN HB3 1 43 LEU H . . 4.170 3.424 3.074 3.866 . 0 0 "[ . 1 . 2]" 1
953 1 42 GLN HE22 1 42 GLN QG . . 3.370 3.343 3.328 3.365 . 0 0 "[ . 1 . 2]" 1
954 1 43 LEU H 1 43 LEU HB2 . . 3.180 2.597 2.503 2.664 . 0 0 "[ . 1 . 2]" 1
955 1 43 LEU H 1 43 LEU HB3 . . 3.720 3.601 3.577 3.658 . 0 0 "[ . 1 . 2]" 1
956 1 43 LEU H 1 43 LEU MD1 . . 3.990 3.101 3.019 3.359 . 0 0 "[ . 1 . 2]" 1
957 1 43 LEU H 1 43 LEU MD2 . . 4.090 3.613 3.440 3.934 . 0 0 "[ . 1 . 2]" 1
958 1 43 LEU H 1 43 LEU HG . . 3.760 2.142 1.939 2.609 . 0 0 "[ . 1 . 2]" 1
959 1 43 LEU H 1 44 LYS H . . 3.310 2.488 2.174 2.659 . 0 0 "[ . 1 . 2]" 1
960 1 43 LEU H 1 45 GLU H . . 4.680 4.204 3.902 4.473 . 0 0 "[ . 1 . 2]" 1
961 1 43 LEU H 1 103 GLN HA . . 5.500 5.566 5.394 5.659 0.159 10 0 "[ . 1 . 2]" 1
962 1 43 LEU HA 1 43 LEU MD2 . . 3.030 2.645 2.510 2.729 . 0 0 "[ . 1 . 2]" 1
963 1 43 LEU HA 1 43 LEU HG . . 3.780 2.942 2.844 3.003 . 0 0 "[ . 1 . 2]" 1
964 1 43 LEU HA 1 46 ILE H . . 3.890 3.638 3.443 3.790 . 0 0 "[ . 1 . 2]" 1
965 1 43 LEU HA 1 46 ILE HB . . 4.500 4.022 3.762 4.345 . 0 0 "[ . 1 . 2]" 1
966 1 43 LEU HA 1 46 ILE MD . . 3.310 2.008 1.883 2.237 . 0 0 "[ . 1 . 2]" 1
967 1 43 LEU HA 1 46 ILE QG . . 4.030 3.890 3.544 4.274 0.244 14 0 "[ . 1 . 2]" 1
968 1 43 LEU HA 1 106 VAL MG2 . . 5.500 4.532 4.351 4.738 . 0 0 "[ . 1 . 2]" 1
969 1 43 LEU HB2 1 43 LEU MD1 . . 3.020 2.178 2.115 2.225 . 0 0 "[ . 1 . 2]" 1
970 1 43 LEU HB2 1 44 LYS H . . 3.330 3.100 2.581 3.252 . 0 0 "[ . 1 . 2]" 1
971 1 43 LEU HB2 1 103 GLN HA . . 4.920 3.092 2.944 3.227 . 0 0 "[ . 1 . 2]" 1
972 1 43 LEU HB3 1 43 LEU MD2 . . 2.840 2.041 2.003 2.101 . 0 0 "[ . 1 . 2]" 1
973 1 43 LEU HB3 1 44 LYS H . . 4.330 4.116 3.768 4.199 . 0 0 "[ . 1 . 2]" 1
974 1 43 LEU HB3 1 46 ILE H . . 5.340 5.269 5.132 5.418 0.078 3 0 "[ . 1 . 2]" 1
975 1 43 LEU HB3 1 103 GLN HA . . 5.290 3.251 3.091 3.491 . 0 0 "[ . 1 . 2]" 1
976 1 43 LEU MD1 1 44 LYS H . . 4.510 4.478 4.049 4.664 0.154 10 0 "[ . 1 . 2]" 1
977 1 43 LEU MD1 1 103 GLN HA . . 3.770 2.156 1.957 2.527 . 0 0 "[ . 1 . 2]" 1
978 1 43 LEU MD1 1 106 VAL HA . . 5.500 4.606 4.408 4.793 . 0 0 "[ . 1 . 2]" 1
979 1 43 LEU MD1 1 106 VAL HB . . 4.310 2.161 1.922 2.348 . 0 0 "[ . 1 . 2]" 1
980 1 43 LEU MD1 1 106 VAL MG1 . . 4.410 2.341 2.116 2.482 . 0 0 "[ . 1 . 2]" 1
981 1 43 LEU MD1 1 106 VAL MG2 . . 4.110 2.206 1.939 2.526 . 0 0 "[ . 1 . 2]" 1
982 1 43 LEU MD1 1 107 GLN H . . 4.550 3.010 2.868 3.110 . 0 0 "[ . 1 . 2]" 1
983 1 43 LEU MD1 1 107 GLN HA . . 5.500 4.544 4.351 4.665 . 0 0 "[ . 1 . 2]" 1
984 1 43 LEU MD1 1 107 GLN HE21 . . 4.270 2.370 2.148 2.481 . 0 0 "[ . 1 . 2]" 1
985 1 43 LEU MD1 1 107 GLN HE22 . . 4.110 2.359 2.266 2.499 . 0 0 "[ . 1 . 2]" 1
986 1 43 LEU MD1 1 107 GLN HG3 . . 3.790 2.481 2.217 2.745 . 0 0 "[ . 1 . 2]" 1
987 1 43 LEU MD2 1 103 GLN HA . . 5.500 3.834 3.620 4.004 . 0 0 "[ . 1 . 2]" 1
988 1 43 LEU MD2 1 106 VAL HA . . 5.500 4.501 4.456 4.591 . 0 0 "[ . 1 . 2]" 1
989 1 43 LEU MD2 1 106 VAL MG1 . . 3.460 1.744 1.716 1.785 . 0 0 "[ . 1 . 2]" 1
990 1 43 LEU MD2 1 106 VAL MG2 . . 4.900 2.358 2.238 2.511 . 0 0 "[ . 1 . 2]" 1
991 1 43 LEU MD2 1 107 GLN HG2 . . 5.500 4.899 4.702 5.473 . 0 0 "[ . 1 . 2]" 1
992 1 43 LEU MD2 1 107 GLN HG3 . . 4.350 3.707 3.591 4.081 . 0 0 "[ . 1 . 2]" 1
993 1 43 LEU HG 1 106 VAL HB . . 4.510 4.780 4.630 4.889 0.379 3 0 "[ . 1 . 2]" 1
994 1 43 LEU HG 1 106 VAL MG1 . . 5.500 3.936 3.828 4.012 . 0 0 "[ . 1 . 2]" 1
995 1 44 LYS H 1 44 LYS HA . . 2.930 2.849 2.793 2.888 . 0 0 "[ . 1 . 2]" 1
996 1 44 LYS H 1 44 LYS QB . . 3.060 2.250 2.118 2.522 . 0 0 "[ . 1 . 2]" 1
997 1 44 LYS H 1 44 LYS QD . . 5.500 4.117 3.431 4.740 . 0 0 "[ . 1 . 2]" 1
998 1 44 LYS H 1 44 LYS QG . . 2.890 2.738 2.314 3.077 0.187 7 0 "[ . 1 . 2]" 1
999 1 44 LYS H 1 45 GLU H . . 3.000 2.514 2.367 2.674 . 0 0 "[ . 1 . 2]" 1
1000 1 44 LYS HA 1 47 PHE H . . 3.700 3.403 3.112 3.624 . 0 0 "[ . 1 . 2]" 1
1001 1 44 LYS HA 1 47 PHE HB2 . . 3.980 3.855 3.163 4.170 0.190 13 0 "[ . 1 . 2]" 1
1002 1 44 LYS HA 1 47 PHE HB3 . . 3.130 2.835 2.267 3.228 0.098 11 0 "[ . 1 . 2]" 1
1003 1 44 LYS HA 1 99 ALA MB . . 5.500 3.805 3.545 4.059 . 0 0 "[ . 1 . 2]" 1
1004 1 44 LYS QB 1 45 GLU H . . 3.610 3.165 2.635 3.705 0.095 3 0 "[ . 1 . 2]" 1
1005 1 44 LYS QB 1 47 PHE HB3 . . 4.740 3.977 3.738 4.236 . 0 0 "[ . 1 . 2]" 1
1006 1 44 LYS HB2 1 47 PHE HB3 . . 5.500 4.777 3.840 5.552 0.052 15 0 "[ . 1 . 2]" 1
1007 1 44 LYS HB3 1 47 PHE HB3 . . 5.500 4.577 3.878 5.495 . 0 0 "[ . 1 . 2]" 1
1008 1 44 LYS QD 1 45 GLU H . . 5.500 4.807 3.945 5.369 . 0 0 "[ . 1 . 2]" 1
1009 1 45 GLU H 1 45 GLU HB2 . . 3.790 2.525 2.237 3.587 . 0 0 "[ . 1 . 2]" 1
1010 1 45 GLU H 1 45 GLU QB . . 2.960 2.433 2.213 2.582 . 0 0 "[ . 1 . 2]" 1
1011 1 45 GLU H 1 45 GLU HB3 . . 3.790 3.531 2.635 3.598 . 0 0 "[ . 1 . 2]" 1
1012 1 45 GLU H 1 45 GLU QG . . 3.160 2.270 1.940 2.724 . 0 0 "[ . 1 . 2]" 1
1013 1 45 GLU H 1 46 ILE H . . 3.030 2.751 2.607 2.893 . 0 0 "[ . 1 . 2]" 1
1014 1 45 GLU H 1 47 PHE H . . 4.660 4.168 3.937 4.428 . 0 0 "[ . 1 . 2]" 1
1015 1 45 GLU HA 1 45 GLU QG . . 2.900 2.739 2.292 3.385 0.485 17 0 "[ . 1 . 2]" 1
1016 1 45 GLU HA 1 46 ILE HA . . 5.090 4.828 4.724 4.882 . 0 0 "[ . 1 . 2]" 1
1017 1 45 GLU HA 1 48 ARG H . . 3.950 3.554 3.386 3.825 . 0 0 "[ . 1 . 2]" 1
1018 1 45 GLU HA 1 49 ILE HG12 . . 5.300 5.001 4.514 5.505 0.205 5 0 "[ . 1 . 2]" 1
1019 1 45 GLU QB 1 46 ILE H . . 3.040 2.538 2.331 3.207 0.167 17 0 "[ . 1 . 2]" 1
1020 1 45 GLU QG 1 46 ILE H . . 4.930 3.937 2.017 4.282 . 0 0 "[ . 1 . 2]" 1
1021 1 46 ILE H 1 46 ILE HB . . 2.910 2.597 2.504 2.679 . 0 0 "[ . 1 . 2]" 1
1022 1 46 ILE H 1 46 ILE MD . . 4.170 2.564 2.061 2.998 . 0 0 "[ . 1 . 2]" 1
1023 1 46 ILE H 1 46 ILE HG12 . . 3.520 3.709 3.608 3.850 0.330 5 0 "[ . 1 . 2]" 1
1024 1 46 ILE H 1 46 ILE QG . . 2.980 2.283 2.067 2.559 . 0 0 "[ . 1 . 2]" 1
1025 1 46 ILE H 1 46 ILE HG13 . . 3.520 2.305 2.080 2.600 . 0 0 "[ . 1 . 2]" 1
1026 1 46 ILE H 1 47 PHE H . . 3.730 2.740 2.433 2.907 . 0 0 "[ . 1 . 2]" 1
1027 1 46 ILE H 1 49 ILE MD . . 5.500 5.786 5.420 6.117 0.617 5 3 "[ + 1- . *2]" 1
1028 1 46 ILE H 1 49 ILE HG12 . . 4.830 4.795 4.534 5.146 0.316 19 0 "[ . 1 . 2]" 1
1029 1 46 ILE HA 1 46 ILE QG . . 3.510 2.381 2.247 2.425 . 0 0 "[ . 1 . 2]" 1
1030 1 46 ILE HA 1 46 ILE MG . . 3.020 2.305 2.192 2.376 . 0 0 "[ . 1 . 2]" 1
1031 1 46 ILE HA 1 48 ARG H . . 4.170 4.087 3.706 4.246 0.076 15 0 "[ . 1 . 2]" 1
1032 1 46 ILE HA 1 49 ILE H . . 3.840 3.539 3.454 3.813 . 0 0 "[ . 1 . 2]" 1
1033 1 46 ILE HA 1 49 ILE MD . . 4.720 4.157 3.837 4.342 . 0 0 "[ . 1 . 2]" 1
1034 1 46 ILE HA 1 49 ILE HG12 . . 2.930 2.655 2.351 2.915 . 0 0 "[ . 1 . 2]" 1
1035 1 46 ILE HA 1 49 ILE HG13 . . 3.390 3.131 2.880 3.308 . 0 0 "[ . 1 . 2]" 1
1036 1 46 ILE HB 1 46 ILE MD . . 3.210 2.021 1.990 2.114 . 0 0 "[ . 1 . 2]" 1
1037 1 46 ILE HB 1 47 PHE H . . 3.470 2.687 2.504 2.917 . 0 0 "[ . 1 . 2]" 1
1038 1 46 ILE HB 1 47 PHE HA . . 4.990 4.197 4.081 4.270 . 0 0 "[ . 1 . 2]" 1
1039 1 46 ILE MD 1 47 PHE H . . 5.500 3.934 3.432 4.267 . 0 0 "[ . 1 . 2]" 1
1040 1 46 ILE QG 1 47 PHE H . . 4.410 4.200 4.093 4.300 . 0 0 "[ . 1 . 2]" 1
1041 1 46 ILE HG12 1 47 PHE H . . 5.170 5.190 5.086 5.299 0.129 8 0 "[ . 1 . 2]" 1
1042 1 46 ILE HG13 1 47 PHE H . . 5.170 4.439 4.315 4.619 . 0 0 "[ . 1 . 2]" 1
1043 1 46 ILE MG 1 47 PHE H . . 4.140 3.562 3.277 3.791 . 0 0 "[ . 1 . 2]" 1
1044 1 46 ILE MG 1 47 PHE HA . . 4.250 3.624 3.344 3.850 . 0 0 "[ . 1 . 2]" 1
1045 1 47 PHE H 1 47 PHE HB2 . . 3.040 2.968 2.767 3.035 . 0 0 "[ . 1 . 2]" 1
1046 1 47 PHE H 1 47 PHE HB3 . . 3.190 2.174 2.132 2.315 . 0 0 "[ . 1 . 2]" 1
1047 1 47 PHE H 1 47 PHE HD1 . . 4.540 3.987 3.855 4.333 . 0 0 "[ . 1 . 2]" 1
1048 1 47 PHE H 1 48 ARG H . . 3.950 2.733 2.575 2.778 . 0 0 "[ . 1 . 2]" 1
1049 1 47 PHE H 1 48 ARG HA . . 5.500 5.326 5.180 5.366 . 0 0 "[ . 1 . 2]" 1
1050 1 47 PHE H 1 48 ARG QB . . 4.590 4.409 4.244 4.452 . 0 0 "[ . 1 . 2]" 1
1051 1 47 PHE H 1 49 ILE H . . 4.310 4.018 3.951 4.139 . 0 0 "[ . 1 . 2]" 1
1052 1 47 PHE H 1 50 LEU H . . 5.420 4.991 4.874 5.300 . 0 0 "[ . 1 . 2]" 1
1053 1 47 PHE HA 1 47 PHE HD2 . . 3.380 3.298 3.211 3.373 . 0 0 "[ . 1 . 2]" 1
1054 1 47 PHE HA 1 48 ARG QB . . 5.500 5.210 5.173 5.224 . 0 0 "[ . 1 . 2]" 1
1055 1 47 PHE HA 1 49 ILE H . . 4.560 3.583 3.390 3.646 . 0 0 "[ . 1 . 2]" 1
1056 1 47 PHE HA 1 50 LEU H . . 4.010 3.219 3.159 3.394 . 0 0 "[ . 1 . 2]" 1
1057 1 47 PHE HA 1 50 LEU HB2 . . 3.180 2.580 2.452 2.904 . 0 0 "[ . 1 . 2]" 1
1058 1 47 PHE HA 1 50 LEU HB3 . . 4.620 4.195 4.039 4.568 . 0 0 "[ . 1 . 2]" 1
1059 1 47 PHE HA 1 50 LEU MD2 . . 3.690 4.065 3.749 4.293 0.603 5 2 "[ + 1 - 2]" 1
1060 1 47 PHE HA 1 50 LEU HG . . 4.840 5.016 4.784 5.161 0.321 15 0 "[ . 1 . 2]" 1
1061 1 47 PHE HA 1 51 ASP H . . 4.540 4.411 4.288 4.860 0.320 14 0 "[ . 1 . 2]" 1
1062 1 47 PHE HA 1 58 ILE MD . . 4.100 2.278 2.016 2.700 . 0 0 "[ . 1 . 2]" 1
1063 1 47 PHE HB2 1 47 PHE HD2 . . 3.650 2.387 2.365 2.404 . 0 0 "[ . 1 . 2]" 1
1064 1 47 PHE HB2 1 48 ARG H . . 4.430 4.171 4.060 4.329 . 0 0 "[ . 1 . 2]" 1
1065 1 47 PHE HB2 1 97 ILE MG . . 5.500 3.950 3.461 4.635 . 0 0 "[ . 1 . 2]" 1
1066 1 47 PHE HB3 1 48 ARG H . . 3.260 2.984 2.761 3.242 . 0 0 "[ . 1 . 2]" 1
1067 1 47 PHE HB3 1 50 LEU HB2 . . 5.500 5.440 5.326 5.627 0.127 5 0 "[ . 1 . 2]" 1
1068 1 47 PHE HB3 1 99 ALA MB . . 5.500 3.841 3.311 4.328 . 0 0 "[ . 1 . 2]" 1
1069 1 47 PHE HD2 1 58 ILE MD . . 3.640 1.937 1.875 2.154 . 0 0 "[ . 1 . 2]" 1
1070 1 47 PHE HE1 1 48 ARG H . . 5.500 4.762 4.530 5.233 . 0 0 "[ . 1 . 2]" 1
1071 1 47 PHE HE1 1 48 ARG HA . . 4.240 3.654 3.517 3.979 . 0 0 "[ . 1 . 2]" 1
1072 1 47 PHE HE1 1 48 ARG QB . . 5.500 4.527 4.286 4.982 . 0 0 "[ . 1 . 2]" 1
1073 1 47 PHE HE1 1 48 ARG HG2 . . 4.410 2.999 2.723 3.659 . 0 0 "[ . 1 . 2]" 1
1074 1 47 PHE HE1 1 51 ASP QB . . 5.230 4.466 4.213 4.624 . 0 0 "[ . 1 . 2]" 1
1075 1 47 PHE HE1 1 99 ALA MB . . 4.240 3.752 2.874 4.516 0.276 4 0 "[ . 1 . 2]" 1
1076 1 47 PHE HE2 1 58 ILE MD . . 4.070 3.325 2.551 3.669 . 0 0 "[ . 1 . 2]" 1
1077 1 47 PHE HE2 1 58 ILE MG . . 5.500 5.507 4.999 5.643 0.143 11 0 "[ . 1 . 2]" 1
1078 1 47 PHE HE2 1 97 ILE MG . . 5.500 4.500 2.350 4.747 . 0 0 "[ . 1 . 2]" 1
1079 1 48 ARG H 1 48 ARG QB . . 2.900 2.054 2.042 2.090 . 0 0 "[ . 1 . 2]" 1
1080 1 48 ARG H 1 48 ARG HG2 . . 4.140 3.673 3.576 3.798 . 0 0 "[ . 1 . 2]" 1
1081 1 48 ARG H 1 48 ARG HG3 . . 5.500 4.325 4.240 4.391 . 0 0 "[ . 1 . 2]" 1
1082 1 48 ARG H 1 49 ILE H . . 3.120 2.598 2.543 2.629 . 0 0 "[ . 1 . 2]" 1
1083 1 48 ARG H 1 49 ILE HB . . 5.500 5.002 4.841 5.210 . 0 0 "[ . 1 . 2]" 1
1084 1 48 ARG H 1 49 ILE MD . . 5.320 4.434 4.095 4.686 . 0 0 "[ . 1 . 2]" 1
1085 1 48 ARG H 1 49 ILE HG12 . . 4.370 3.717 3.485 3.889 . 0 0 "[ . 1 . 2]" 1
1086 1 48 ARG H 1 50 LEU H . . 4.360 4.082 4.047 4.151 . 0 0 "[ . 1 . 2]" 1
1087 1 48 ARG HA 1 48 ARG QD . . 2.840 2.272 2.203 2.382 . 0 0 "[ . 1 . 2]" 1
1088 1 48 ARG HA 1 48 ARG HG2 . . 3.140 2.439 2.371 2.542 . 0 0 "[ . 1 . 2]" 1
1089 1 48 ARG HA 1 49 ILE MD . . 5.500 4.540 4.275 4.763 . 0 0 "[ . 1 . 2]" 1
1090 1 48 ARG HA 1 50 LEU H . . 4.220 3.974 3.854 4.086 . 0 0 "[ . 1 . 2]" 1
1091 1 48 ARG HA 1 51 ASP H . . 4.230 3.663 3.584 3.763 . 0 0 "[ . 1 . 2]" 1
1092 1 48 ARG HA 1 51 ASP QB . . 3.780 3.179 2.997 3.421 . 0 0 "[ . 1 . 2]" 1
1093 1 48 ARG QB 1 48 ARG QD . . 2.610 2.403 2.315 2.504 . 0 0 "[ . 1 . 2]" 1
1094 1 48 ARG QB 1 49 ILE H . . 4.100 3.250 3.180 3.423 . 0 0 "[ . 1 . 2]" 1
1095 1 48 ARG QB 1 49 ILE HA . . 4.830 4.045 4.010 4.141 . 0 0 "[ . 1 . 2]" 1
1096 1 48 ARG QB 1 49 ILE MD . . 5.180 2.774 2.520 3.045 . 0 0 "[ . 1 . 2]" 1
1097 1 48 ARG QD 1 48 ARG HG2 . . 2.760 2.147 2.137 2.174 . 0 0 "[ . 1 . 2]" 1
1098 1 48 ARG QD 1 49 ILE H . . 4.860 4.545 4.481 4.641 . 0 0 "[ . 1 . 2]" 1
1099 1 48 ARG QD 1 50 LEU H . . 5.500 5.280 5.080 5.410 . 0 0 "[ . 1 . 2]" 1
1100 1 48 ARG QD 1 51 ASP QB . . 5.350 3.514 3.085 3.726 . 0 0 "[ . 1 . 2]" 1
1101 1 48 ARG HG2 1 49 ILE H . . 5.500 5.225 5.181 5.276 . 0 0 "[ . 1 . 2]" 1
1102 1 48 ARG HG2 1 51 ASP QB . . 5.500 4.817 4.645 4.909 . 0 0 "[ . 1 . 2]" 1
1103 1 48 ARG QH1 1 49 ILE MD . . 5.500 5.119 3.457 6.501 1.001 18 4 "[ * -. 1 .* + 2]" 1
1104 1 48 ARG QH1 1 51 ASP QB . . 5.500 4.236 3.698 5.059 . 0 0 "[ . 1 . 2]" 1
1105 1 49 ILE H 1 49 ILE HB . . 2.950 2.671 2.602 2.788 . 0 0 "[ . 1 . 2]" 1
1106 1 49 ILE H 1 49 ILE MD . . 4.890 3.252 2.913 3.478 . 0 0 "[ . 1 . 2]" 1
1107 1 49 ILE H 1 49 ILE HG12 . . 2.690 2.344 2.119 2.534 . 0 0 "[ . 1 . 2]" 1
1108 1 49 ILE H 1 49 ILE HG13 . . 3.860 3.825 3.686 3.983 0.123 5 0 "[ . 1 . 2]" 1
1109 1 49 ILE H 1 50 LEU H . . 2.930 2.118 1.967 2.198 . 0 0 "[ . 1 . 2]" 1
1110 1 49 ILE H 1 50 LEU HA . . 5.500 4.781 4.665 4.838 . 0 0 "[ . 1 . 2]" 1
1111 1 49 ILE H 1 50 LEU HB2 . . 4.490 3.958 3.871 4.027 . 0 0 "[ . 1 . 2]" 1
1112 1 49 ILE H 1 50 LEU HB3 . . 5.500 5.497 5.396 5.573 0.073 14 0 "[ . 1 . 2]" 1
1113 1 49 ILE H 1 50 LEU HG . . 5.500 5.456 4.998 5.540 0.040 12 0 "[ . 1 . 2]" 1
1114 1 49 ILE H 1 51 ASP H . . 4.070 3.753 3.570 3.878 . 0 0 "[ . 1 . 2]" 1
1115 1 49 ILE H 1 51 ASP QB . . 5.460 4.820 4.636 4.933 . 0 0 "[ . 1 . 2]" 1
1116 1 49 ILE HA 1 49 ILE MD . . 2.920 2.125 1.992 2.246 . 0 0 "[ . 1 . 2]" 1
1117 1 49 ILE HA 1 49 ILE HG13 . . 4.050 3.780 3.747 3.836 . 0 0 "[ . 1 . 2]" 1
1118 1 49 ILE HA 1 49 ILE MG . . 2.760 2.202 2.159 2.252 . 0 0 "[ . 1 . 2]" 1
1119 1 49 ILE HA 1 50 LEU H . . 3.540 3.384 3.333 3.421 . 0 0 "[ . 1 . 2]" 1
1120 1 49 ILE HA 1 51 ASP H . . 4.490 4.156 4.070 4.218 . 0 0 "[ . 1 . 2]" 1
1121 1 49 ILE HB 1 49 ILE HG12 . . 2.860 2.442 2.428 2.473 . 0 0 "[ . 1 . 2]" 1
1122 1 49 ILE HB 1 49 ILE HG13 . . 2.870 2.469 2.439 2.484 . 0 0 "[ . 1 . 2]" 1
1123 1 49 ILE HB 1 49 ILE MG . . 2.400 2.098 2.083 2.116 . 0 0 "[ . 1 . 2]" 1
1124 1 49 ILE HB 1 50 LEU H . . 3.470 3.252 3.134 3.395 . 0 0 "[ . 1 . 2]" 1
1125 1 49 ILE HB 1 50 LEU HA . . 4.610 4.339 4.225 4.407 . 0 0 "[ . 1 . 2]" 1
1126 1 49 ILE HB 1 50 LEU MD1 . . 5.500 3.017 2.662 3.098 . 0 0 "[ . 1 . 2]" 1
1127 1 49 ILE HB 1 51 ASP H . . 5.500 5.233 5.164 5.343 . 0 0 "[ . 1 . 2]" 1
1128 1 49 ILE HG12 1 50 LEU H . . 4.780 4.210 3.995 4.307 . 0 0 "[ . 1 . 2]" 1
1129 1 49 ILE HG13 1 49 ILE MG . . 2.980 2.268 2.226 2.383 . 0 0 "[ . 1 . 2]" 1
1130 1 49 ILE MG 1 50 LEU H . . 5.390 4.044 3.980 4.133 . 0 0 "[ . 1 . 2]" 1
1131 1 50 LEU H 1 50 LEU HB2 . . 3.900 2.213 2.184 2.307 . 0 0 "[ . 1 . 2]" 1
1132 1 50 LEU H 1 50 LEU HB3 . . 3.820 3.484 3.457 3.574 . 0 0 "[ . 1 . 2]" 1
1133 1 50 LEU H 1 50 LEU MD1 . . 3.750 2.664 2.420 2.811 . 0 0 "[ . 1 . 2]" 1
1134 1 50 LEU H 1 50 LEU HG . . 4.050 3.862 3.697 3.926 . 0 0 "[ . 1 . 2]" 1
1135 1 50 LEU H 1 51 ASP H . . 2.890 2.209 2.150 2.260 . 0 0 "[ . 1 . 2]" 1
1136 1 50 LEU H 1 58 ILE MD . . 4.780 3.401 3.266 3.531 . 0 0 "[ . 1 . 2]" 1
1137 1 50 LEU H 1 58 ILE QG . . 5.500 4.039 3.902 4.350 . 0 0 "[ . 1 . 2]" 1
1138 1 50 LEU HA 1 50 LEU HB3 . . 2.670 2.665 2.582 2.689 0.019 17 0 "[ . 1 . 2]" 1
1139 1 50 LEU HA 1 50 LEU MD1 . . 4.000 3.192 2.998 3.320 . 0 0 "[ . 1 . 2]" 1
1140 1 50 LEU HA 1 50 LEU HG . . 3.830 2.217 2.193 2.300 . 0 0 "[ . 1 . 2]" 1
1141 1 50 LEU HA 1 52 ASN H . . 5.500 5.380 4.798 5.649 0.149 15 0 "[ . 1 . 2]" 1
1142 1 50 LEU HA 1 52 ASN QB . . 5.340 5.537 5.241 5.743 0.403 20 0 "[ . 1 . 2]" 1
1143 1 50 LEU HA 1 58 ILE MD . . 5.490 4.200 4.124 4.260 . 0 0 "[ . 1 . 2]" 1
1144 1 50 LEU HB2 1 50 LEU MD2 . . 3.040 2.736 2.616 2.798 . 0 0 "[ . 1 . 2]" 1
1145 1 50 LEU HB2 1 51 ASP H . . 4.030 3.117 3.008 3.147 . 0 0 "[ . 1 . 2]" 1
1146 1 50 LEU HB2 1 58 ILE HB . . 5.500 4.727 4.544 5.094 . 0 0 "[ . 1 . 2]" 1
1147 1 50 LEU HB2 1 58 ILE MD . . 3.160 1.958 1.909 2.039 . 0 0 "[ . 1 . 2]" 1
1148 1 50 LEU HB2 1 58 ILE QG . . 4.070 2.826 2.534 3.181 . 0 0 "[ . 1 . 2]" 1
1149 1 50 LEU HB3 1 51 ASP H . . 4.130 3.599 3.541 3.722 . 0 0 "[ . 1 . 2]" 1
1150 1 50 LEU HB3 1 51 ASP QB . . 5.420 4.819 4.741 4.950 . 0 0 "[ . 1 . 2]" 1
1151 1 50 LEU HB3 1 58 ILE HA . . 5.500 4.603 4.463 5.017 . 0 0 "[ . 1 . 2]" 1
1152 1 50 LEU HB3 1 58 ILE MD . . 3.300 2.147 2.045 2.283 . 0 0 "[ . 1 . 2]" 1
1153 1 50 LEU HB3 1 58 ILE QG . . 5.500 2.178 2.012 2.438 . 0 0 "[ . 1 . 2]" 1
1154 1 50 LEU MD2 1 51 ASP H . . 5.500 5.038 4.986 5.064 . 0 0 "[ . 1 . 2]" 1
1155 1 50 LEU MD2 1 58 ILE MD . . 4.640 2.116 1.945 2.443 . 0 0 "[ . 1 . 2]" 1
1156 1 50 LEU HG 1 51 ASP H . . 5.430 5.059 5.003 5.104 . 0 0 "[ . 1 . 2]" 1
1157 1 51 ASP H 1 51 ASP QB . . 2.690 2.215 2.096 2.263 . 0 0 "[ . 1 . 2]" 1
1158 1 51 ASP H 1 52 ASN H . . 4.570 4.407 4.189 4.502 . 0 0 "[ . 1 . 2]" 1
1159 1 51 ASP H 1 52 ASN HA . . 5.500 5.361 5.263 5.435 . 0 0 "[ . 1 . 2]" 1
1160 1 51 ASP H 1 58 ILE MD . . 4.750 3.448 3.271 3.588 . 0 0 "[ . 1 . 2]" 1
1161 1 51 ASP H 1 58 ILE QG . . 5.120 3.128 3.013 3.387 . 0 0 "[ . 1 . 2]" 1
1162 1 51 ASP HA 1 51 ASP QB . . 2.770 2.439 2.382 2.512 . 0 0 "[ . 1 . 2]" 1
1163 1 51 ASP HA 1 52 ASN H . . 2.600 2.159 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
1164 1 51 ASP HA 1 52 ASN HA . . 4.710 4.406 4.387 4.458 . 0 0 "[ . 1 . 2]" 1
1165 1 51 ASP HA 1 53 ASP H . . 4.610 3.357 3.153 3.512 . 0 0 "[ . 1 . 2]" 1
1166 1 51 ASP HA 1 54 GLN QE . . 4.340 4.715 4.297 5.802 1.462 12 6 "[* .* - +**. 2]" 1
1167 1 51 ASP HA 1 58 ILE MD . . 4.710 4.145 3.961 4.258 . 0 0 "[ . 1 . 2]" 1
1168 1 51 ASP HA 1 58 ILE QG . . 4.240 2.642 2.570 2.714 . 0 0 "[ . 1 . 2]" 1
1169 1 51 ASP HA 1 58 ILE MG . . 4.350 3.562 3.431 3.780 . 0 0 "[ . 1 . 2]" 1
1170 1 51 ASP HA 1 62 GLU HB2 . . 5.500 4.130 3.982 4.564 . 0 0 "[ . 1 . 2]" 1
1171 1 51 ASP HA 1 62 GLU HB3 . . 5.500 4.685 4.432 5.138 . 0 0 "[ . 1 . 2]" 1
1172 1 51 ASP HA 1 62 GLU QG . . 5.340 4.393 4.226 4.773 . 0 0 "[ . 1 . 2]" 1
1173 1 51 ASP QB 1 52 ASN H . . 4.410 3.846 3.688 4.006 . 0 0 "[ . 1 . 2]" 1
1174 1 51 ASP QB 1 52 ASN HA . . 5.030 4.544 4.422 4.719 . 0 0 "[ . 1 . 2]" 1
1175 1 51 ASP QB 1 52 ASN HD21 . . 5.500 5.134 5.035 5.183 . 0 0 "[ . 1 . 2]" 1
1176 1 51 ASP QB 1 58 ILE MD . . 4.650 3.734 3.662 3.867 . 0 0 "[ . 1 . 2]" 1
1177 1 51 ASP QB 1 58 ILE QG . . 4.420 3.127 2.991 3.327 . 0 0 "[ . 1 . 2]" 1
1178 1 52 ASN H 1 52 ASN QB . . 2.530 2.238 2.129 2.417 . 0 0 "[ . 1 . 2]" 1
1179 1 52 ASN H 1 52 ASN HD22 . . 4.750 4.769 3.655 4.989 0.239 6 0 "[ . 1 . 2]" 1
1180 1 52 ASN H 1 53 ASP H . . 3.290 2.344 2.140 2.565 . 0 0 "[ . 1 . 2]" 1
1181 1 52 ASN H 1 54 GLN H . . 5.110 3.785 3.401 4.070 . 0 0 "[ . 1 . 2]" 1
1182 1 52 ASN H 1 58 ILE HA . . 4.600 4.344 4.227 4.529 . 0 0 "[ . 1 . 2]" 1
1183 1 52 ASN H 1 58 ILE MG . . 4.870 4.181 3.918 4.326 . 0 0 "[ . 1 . 2]" 1
1184 1 52 ASN HA 1 52 ASN QB . . 2.610 2.513 2.163 2.536 . 0 0 "[ . 1 . 2]" 1
1185 1 52 ASN HA 1 52 ASN HD21 . . 4.390 2.654 2.282 3.772 . 0 0 "[ . 1 . 2]" 1
1186 1 52 ASN HA 1 53 ASP H . . 3.380 3.202 3.061 3.399 0.019 15 0 "[ . 1 . 2]" 1
1187 1 52 ASN HA 1 53 ASP HA . . 5.390 4.458 4.399 4.501 . 0 0 "[ . 1 . 2]" 1
1188 1 52 ASN HA 1 54 GLN H . . 5.500 4.059 3.960 4.197 . 0 0 "[ . 1 . 2]" 1
1189 1 52 ASN HA 1 54 GLN HE21 . . 5.500 3.385 3.208 3.580 . 0 0 "[ . 1 . 2]" 1
1190 1 52 ASN HA 1 54 GLN HE22 . . 5.500 4.348 3.631 4.595 . 0 0 "[ . 1 . 2]" 1
1191 1 52 ASN QB 1 53 ASP H . . 3.920 3.507 3.336 3.657 . 0 0 "[ . 1 . 2]" 1
1192 1 52 ASN QB 1 54 GLN H . . 4.360 4.912 4.775 5.020 0.660 11 14 "[*** .*** *+*****- 2]" 1
1193 1 52 ASN QB 1 54 GLN QE . . 4.940 4.888 4.180 4.965 0.025 13 0 "[ . 1 . 2]" 1
1194 1 52 ASN QB 1 55 SER H . . 5.340 6.361 6.179 6.564 1.224 1 20 [+***-***************] 1
1195 1 52 ASN QB 1 58 ILE HA . . 5.340 5.537 5.472 5.644 0.304 11 0 "[ . 1 . 2]" 1
1196 1 52 ASN HB2 1 53 ASP H . . 4.550 3.904 3.680 4.357 . 0 0 "[ . 1 . 2]" 1
1197 1 52 ASN HB3 1 53 ASP H . . 4.550 3.979 3.817 4.145 . 0 0 "[ . 1 . 2]" 1
1198 1 52 ASN HD21 1 54 GLN QE . . 4.850 5.092 4.770 5.327 0.477 12 0 "[ . 1 . 2]" 1
1199 1 52 ASN HD21 1 58 ILE MG . . 5.500 5.114 4.939 5.236 . 0 0 "[ . 1 . 2]" 1
1200 1 53 ASP H 1 53 ASP QB . . 3.490 3.009 2.764 3.317 . 0 0 "[ . 1 . 2]" 1
1201 1 53 ASP H 1 54 GLN H . . 3.170 1.782 1.654 1.894 . 0 0 "[ . 1 . 2]" 1
1202 1 53 ASP H 1 54 GLN QB . . 5.340 4.839 4.759 4.935 . 0 0 "[ . 1 . 2]" 1
1203 1 53 ASP H 1 54 GLN QE . . 4.580 3.344 2.648 3.699 . 0 0 "[ . 1 . 2]" 1
1204 1 53 ASP H 1 54 GLN HG2 . . 5.500 3.975 3.828 5.631 0.131 12 0 "[ . 1 . 2]" 1
1205 1 53 ASP H 1 54 GLN HG3 . . 5.500 5.528 3.925 5.760 0.260 15 0 "[ . 1 . 2]" 1
1206 1 53 ASP H 1 55 SER H . . 4.610 3.400 3.291 3.561 . 0 0 "[ . 1 . 2]" 1
1207 1 53 ASP HA 1 54 GLN H . . 3.150 3.281 3.189 3.377 0.227 13 0 "[ . 1 . 2]" 1
1208 1 53 ASP HA 1 55 SER H . . 3.740 4.220 4.178 4.247 0.507 15 2 "[ . 1- + 2]" 1
1209 1 53 ASP HB2 1 54 GLN H . . 4.620 3.667 3.283 4.336 . 0 0 "[ . 1 . 2]" 1
1210 1 53 ASP HB2 1 55 SER H . . 5.500 2.652 2.381 3.647 . 0 0 "[ . 1 . 2]" 1
1211 1 53 ASP HB3 1 54 GLN H . . 4.620 4.471 4.291 4.574 . 0 0 "[ . 1 . 2]" 1
1212 1 53 ASP HB3 1 55 SER H . . 5.500 4.060 3.593 4.517 . 0 0 "[ . 1 . 2]" 1
1213 1 54 GLN H 1 54 GLN QB . . 3.700 3.389 3.378 3.423 . 0 0 "[ . 1 . 2]" 1
1214 1 54 GLN H 1 54 GLN QE . . 5.340 2.472 1.886 2.982 . 0 0 "[ . 1 . 2]" 1
1215 1 54 GLN H 1 54 GLN HG2 . . 4.320 2.713 2.574 4.209 . 0 0 "[ . 1 . 2]" 1
1216 1 54 GLN H 1 54 GLN QG . . 3.710 2.606 2.550 2.725 . 0 0 "[ . 1 . 2]" 1
1217 1 54 GLN H 1 54 GLN HG3 . . 4.320 4.110 2.599 4.266 . 0 0 "[ . 1 . 2]" 1
1218 1 54 GLN H 1 55 SER H . . 2.810 2.731 2.655 2.796 . 0 0 "[ . 1 . 2]" 1
1219 1 54 GLN H 1 56 GLY H . . 4.200 4.222 4.083 4.310 0.110 15 0 "[ . 1 . 2]" 1
1220 1 54 GLN HA 1 54 GLN HB2 . . 3.000 3.004 2.979 3.014 0.014 13 0 "[ . 1 . 2]" 1
1221 1 54 GLN HA 1 54 GLN QB . . 2.580 2.269 2.226 2.293 . 0 0 "[ . 1 . 2]" 1
1222 1 54 GLN HA 1 54 GLN HB3 . . 3.000 2.348 2.299 2.377 . 0 0 "[ . 1 . 2]" 1
1223 1 54 GLN HA 1 54 GLN QE . . 5.340 3.186 2.638 4.179 . 0 0 "[ . 1 . 2]" 1
1224 1 54 GLN HA 1 55 SER H . . 3.470 3.041 2.997 3.095 . 0 0 "[ . 1 . 2]" 1
1225 1 54 GLN HA 1 55 SER HA . . 5.500 4.730 4.711 4.782 . 0 0 "[ . 1 . 2]" 1
1226 1 54 GLN QB 1 55 SER H . . 4.190 3.710 3.644 3.771 . 0 0 "[ . 1 . 2]" 1
1227 1 54 GLN HB2 1 55 SER H . . 4.940 3.938 3.853 4.012 . 0 0 "[ . 1 . 2]" 1
1228 1 54 GLN HB3 1 55 SER H . . 4.940 4.533 4.493 4.584 . 0 0 "[ . 1 . 2]" 1
1229 1 54 GLN HG2 1 55 SER H . . 5.500 4.560 4.467 5.722 0.222 12 0 "[ . 1 . 2]" 1
1230 1 54 GLN HG3 1 55 SER H . . 5.500 5.602 4.629 5.695 0.195 11 0 "[ . 1 . 2]" 1
1231 1 55 SER H 1 55 SER HB2 . . 3.900 3.509 3.482 3.602 . 0 0 "[ . 1 . 2]" 1
1232 1 55 SER H 1 55 SER QB . . 3.250 2.810 2.501 2.870 . 0 0 "[ . 1 . 2]" 1
1233 1 55 SER H 1 55 SER HB3 . . 3.900 2.963 2.550 3.056 . 0 0 "[ . 1 . 2]" 1
1234 1 55 SER H 1 56 GLY H . . 3.070 2.525 2.470 2.652 . 0 0 "[ . 1 . 2]" 1
1235 1 55 SER H 1 56 GLY HA2 . . 4.770 4.914 4.831 5.057 0.287 15 0 "[ . 1 . 2]" 1
1236 1 55 SER H 1 56 GLY QA . . 4.110 4.489 4.431 4.601 0.491 15 0 "[ . 1 . 2]" 1
1237 1 55 SER H 1 56 GLY HA3 . . 4.770 5.190 5.147 5.290 0.520 15 1 "[ . 1 + 2]" 1
1238 1 55 SER H 1 57 PHE H . . 4.090 3.896 3.808 3.961 . 0 0 "[ . 1 . 2]" 1
1239 1 55 SER HA 1 57 PHE QD . . 5.500 5.323 4.890 5.503 0.003 13 0 "[ . 1 . 2]" 1
1240 1 55 SER QB 1 56 GLY H . . 4.320 3.493 3.227 3.728 . 0 0 "[ . 1 . 2]" 1
1241 1 55 SER QB 1 57 PHE H . . 2.970 3.336 3.251 3.588 0.618 11 2 "[ . 1+ - 2]" 1
1242 1 55 SER QB 1 57 PHE QB . . 5.340 4.357 4.093 4.638 . 0 0 "[ . 1 . 2]" 1
1243 1 55 SER QB 1 57 PHE QD . . 4.960 3.334 2.885 3.830 . 0 0 "[ . 1 . 2]" 1
1244 1 56 GLY H 1 56 GLY QA . . 2.500 2.359 2.295 2.423 . 0 0 "[ . 1 . 2]" 1
1245 1 56 GLY H 1 57 PHE H . . 2.980 2.290 1.991 2.469 . 0 0 "[ . 1 . 2]" 1
1246 1 56 GLY H 1 57 PHE QB . . 5.500 4.851 4.549 5.030 . 0 0 "[ . 1 . 2]" 1
1247 1 56 GLY QA 1 57 PHE H . . 3.010 2.885 2.863 2.904 . 0 0 "[ . 1 . 2]" 1
1248 1 56 GLY QA 1 57 PHE QE . . 4.770 3.701 3.426 3.763 . 0 0 "[ . 1 . 2]" 1
1249 1 56 GLY HA2 1 57 PHE H . . 3.450 3.406 3.367 3.442 . 0 0 "[ . 1 . 2]" 1
1250 1 56 GLY HA2 1 57 PHE QE . . 5.500 5.313 5.009 5.370 . 0 0 "[ . 1 . 2]" 1
1251 1 56 GLY HA3 1 57 PHE H . . 3.450 3.116 3.061 3.173 . 0 0 "[ . 1 . 2]" 1
1252 1 56 GLY HA3 1 57 PHE QE . . 5.500 3.777 3.488 3.843 . 0 0 "[ . 1 . 2]" 1
1253 1 57 PHE H 1 57 PHE QB . . 3.290 2.756 2.707 2.862 . 0 0 "[ . 1 . 2]" 1
1254 1 57 PHE H 1 57 PHE QD . . 3.940 2.703 2.581 2.961 . 0 0 "[ . 1 . 2]" 1
1255 1 57 PHE H 1 58 ILE H . . 4.560 4.439 4.347 4.456 . 0 0 "[ . 1 . 2]" 1
1256 1 57 PHE H 1 96 LYS QD . . 5.280 6.705 6.175 6.893 1.613 8 20 [*******+*-**********] 1
1257 1 57 PHE H 1 96 LYS QE . . 5.340 5.108 4.398 5.433 0.093 16 0 "[ . 1 . 2]" 1
1258 1 57 PHE H 1 96 LYS QG . . 5.460 5.261 4.904 5.406 . 0 0 "[ . 1 . 2]" 1
1259 1 57 PHE HA 1 57 PHE QD . . 3.380 3.041 2.965 3.080 . 0 0 "[ . 1 . 2]" 1
1260 1 57 PHE HA 1 58 ILE H . . 2.640 2.444 2.236 2.495 . 0 0 "[ . 1 . 2]" 1
1261 1 57 PHE HA 1 58 ILE HA . . 5.500 4.411 4.353 4.425 . 0 0 "[ . 1 . 2]" 1
1262 1 57 PHE HA 1 58 ILE HB . . 5.230 4.704 4.654 4.767 . 0 0 "[ . 1 . 2]" 1
1263 1 57 PHE HA 1 58 ILE QG . . 5.500 3.354 3.234 3.590 . 0 0 "[ . 1 . 2]" 1
1264 1 57 PHE HA 1 96 LYS QG . . 5.500 4.606 4.386 4.786 . 0 0 "[ . 1 . 2]" 1
1265 1 57 PHE HA 1 97 ILE H . . 5.490 4.794 4.528 5.102 . 0 0 "[ . 1 . 2]" 1
1266 1 57 PHE HA 1 98 GLY QA . . 4.470 2.780 2.666 2.956 . 0 0 "[ . 1 . 2]" 1
1267 1 57 PHE HA 1 99 ALA H . . 5.500 4.863 4.404 5.407 . 0 0 "[ . 1 . 2]" 1
1268 1 57 PHE QB 1 58 ILE H . . 2.750 2.355 2.244 2.831 0.081 15 0 "[ . 1 . 2]" 1
1269 1 57 PHE QB 1 59 GLU HG2 . . 5.500 4.804 4.410 5.005 . 0 0 "[ . 1 . 2]" 1
1270 1 57 PHE QB 1 96 LYS HB2 . . 3.540 1.870 1.836 1.919 . 0 0 "[ . 1 . 2]" 1
1271 1 57 PHE QB 1 96 LYS HB3 . . 3.790 3.245 3.163 3.316 . 0 0 "[ . 1 . 2]" 1
1272 1 57 PHE QB 1 96 LYS QD . . 4.030 3.898 3.619 4.021 . 0 0 "[ . 1 . 2]" 1
1273 1 57 PHE QB 1 96 LYS QE . . 3.650 2.891 2.406 3.202 . 0 0 "[ . 1 . 2]" 1
1274 1 57 PHE QB 1 96 LYS QG . . 2.960 2.302 2.067 2.487 . 0 0 "[ . 1 . 2]" 1
1275 1 57 PHE QB 1 97 ILE H . . 3.910 3.518 3.158 3.785 . 0 0 "[ . 1 . 2]" 1
1276 1 57 PHE QB 1 97 ILE HB . . 5.500 4.661 4.449 4.920 . 0 0 "[ . 1 . 2]" 1
1277 1 57 PHE QB 1 98 GLY QA . . 5.340 3.540 3.441 3.600 . 0 0 "[ . 1 . 2]" 1
1278 1 57 PHE QD 1 58 ILE H . . 4.980 3.991 3.872 4.285 . 0 0 "[ . 1 . 2]" 1
1279 1 57 PHE QD 1 96 LYS HB2 . . 4.990 3.768 3.672 3.856 . 0 0 "[ . 1 . 2]" 1
1280 1 57 PHE QD 1 96 LYS HB3 . . 5.500 4.912 4.831 4.971 . 0 0 "[ . 1 . 2]" 1
1281 1 57 PHE QD 1 96 LYS QD . . 5.050 4.649 4.227 4.802 . 0 0 "[ . 1 . 2]" 1
1282 1 57 PHE QD 1 96 LYS QE . . 5.300 3.189 2.459 3.647 . 0 0 "[ . 1 . 2]" 1
1283 1 57 PHE QD 1 96 LYS QG . . 4.480 2.973 2.724 3.096 . 0 0 "[ . 1 . 2]" 1
1284 1 57 PHE QD 1 97 ILE H . . 5.500 4.928 4.569 5.172 . 0 0 "[ . 1 . 2]" 1
1285 1 57 PHE QD 1 98 GLY H . . 4.200 3.859 3.541 4.025 . 0 0 "[ . 1 . 2]" 1
1286 1 57 PHE QD 1 98 GLY QA . . 3.370 2.347 2.222 2.508 . 0 0 "[ . 1 . 2]" 1
1287 1 57 PHE QD 1 99 ALA H . . 5.500 4.469 4.346 4.640 . 0 0 "[ . 1 . 2]" 1
1288 1 57 PHE QD 1 100 GLU H . . 5.460 5.471 5.412 5.510 0.050 15 0 "[ . 1 . 2]" 1
1289 1 57 PHE QE 1 96 LYS HE2 . . 5.500 4.394 3.340 5.037 . 0 0 "[ . 1 . 2]" 1
1290 1 57 PHE QE 1 96 LYS HE3 . . 5.500 4.886 3.700 6.394 0.894 17 3 "[ -. 1 .*+ 2]" 1
1291 1 57 PHE QE 1 98 GLY H . . 5.500 5.262 4.818 5.466 . 0 0 "[ . 1 . 2]" 1
1292 1 57 PHE QE 1 98 GLY QA . . 4.540 3.144 2.857 3.377 . 0 0 "[ . 1 . 2]" 1
1293 1 57 PHE QE 1 100 GLU H . . 5.220 5.226 4.991 5.392 0.172 8 0 "[ . 1 . 2]" 1
1294 1 58 ILE H 1 58 ILE HB . . 2.840 2.640 2.514 2.669 . 0 0 "[ . 1 . 2]" 1
1295 1 58 ILE H 1 58 ILE MD . . 4.230 3.443 3.048 3.683 . 0 0 "[ . 1 . 2]" 1
1296 1 58 ILE H 1 58 ILE QG . . 3.590 2.735 2.524 2.844 . 0 0 "[ . 1 . 2]" 1
1297 1 58 ILE H 1 59 GLU H . . 4.510 3.896 3.639 4.245 . 0 0 "[ . 1 . 2]" 1
1298 1 58 ILE H 1 96 LYS HB2 . . 4.740 3.190 2.845 3.662 . 0 0 "[ . 1 . 2]" 1
1299 1 58 ILE H 1 96 LYS HB3 . . 5.500 4.768 4.460 5.226 . 0 0 "[ . 1 . 2]" 1
1300 1 58 ILE H 1 97 ILE H . . 3.520 2.602 2.292 2.895 . 0 0 "[ . 1 . 2]" 1
1301 1 58 ILE H 1 97 ILE HA . . 5.500 4.203 4.140 4.406 . 0 0 "[ . 1 . 2]" 1
1302 1 58 ILE H 1 97 ILE MG . . 5.500 3.970 3.701 4.103 . 0 0 "[ . 1 . 2]" 1
1303 1 58 ILE H 1 98 GLY QA . . 4.720 3.863 3.639 4.074 . 0 0 "[ . 1 . 2]" 1
1304 1 58 ILE HA 1 59 GLU H . . 2.810 2.253 2.164 2.371 . 0 0 "[ . 1 . 2]" 1
1305 1 58 ILE HA 1 62 GLU H . . 5.180 5.088 4.983 5.205 0.025 6 0 "[ . 1 . 2]" 1
1306 1 58 ILE HA 1 63 LEU H . . 5.500 5.325 4.904 5.570 0.070 15 0 "[ . 1 . 2]" 1
1307 1 58 ILE HB 1 58 ILE MD . . 3.350 2.279 2.249 2.357 . 0 0 "[ . 1 . 2]" 1
1308 1 58 ILE HB 1 59 GLU H . . 5.130 4.438 4.373 4.464 . 0 0 "[ . 1 . 2]" 1
1309 1 58 ILE HB 1 97 ILE H . . 3.270 3.017 2.814 3.193 . 0 0 "[ . 1 . 2]" 1
1310 1 58 ILE HB 1 97 ILE HB . . 2.900 2.000 1.948 2.217 . 0 0 "[ . 1 . 2]" 1
1311 1 58 ILE HB 1 97 ILE MG . . 4.910 3.483 3.315 3.676 . 0 0 "[ . 1 . 2]" 1
1312 1 58 ILE MD 1 58 ILE MG . . 2.440 2.330 2.150 2.433 . 0 0 "[ . 1 . 2]" 1
1313 1 58 ILE MD 1 62 GLU QB . . 5.340 4.907 4.639 5.349 0.009 10 0 "[ . 1 . 2]" 1
1314 1 58 ILE MD 1 62 GLU QG . . 5.340 4.784 4.737 4.827 . 0 0 "[ . 1 . 2]" 1
1315 1 58 ILE MD 1 97 ILE H . . 5.410 4.446 4.286 4.708 . 0 0 "[ . 1 . 2]" 1
1316 1 58 ILE MD 1 97 ILE HB . . 3.520 2.673 2.484 2.892 . 0 0 "[ . 1 . 2]" 1
1317 1 58 ILE MD 1 97 ILE QG . . 5.500 3.839 3.594 4.139 . 0 0 "[ . 1 . 2]" 1
1318 1 58 ILE MD 1 97 ILE MG . . 4.440 2.567 2.269 2.892 . 0 0 "[ . 1 . 2]" 1
1319 1 58 ILE MD 1 102 PHE HB2 . . 5.480 4.326 4.054 4.578 . 0 0 "[ . 1 . 2]" 1
1320 1 58 ILE QG 1 58 ILE MG . . 3.230 2.154 2.110 2.174 . 0 0 "[ . 1 . 2]" 1
1321 1 58 ILE QG 1 59 GLU H . . 5.050 4.388 4.311 4.467 . 0 0 "[ . 1 . 2]" 1
1322 1 58 ILE QG 1 62 GLU QB . . 5.180 3.906 3.600 4.380 . 0 0 "[ . 1 . 2]" 1
1323 1 58 ILE QG 1 97 ILE HB . . 5.500 3.729 3.387 4.029 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ILE MG 1 60 GLU HA . . 5.300 4.468 4.356 4.587 . 0 0 "[ . 1 . 2]" 1
1325 1 58 ILE MG 1 62 GLU H . . 4.010 3.658 3.514 3.830 . 0 0 "[ . 1 . 2]" 1
1326 1 58 ILE MG 1 62 GLU HA . . 5.380 4.228 4.014 4.488 . 0 0 "[ . 1 . 2]" 1
1327 1 58 ILE MG 1 62 GLU HB2 . . 3.610 2.275 1.955 2.852 . 0 0 "[ . 1 . 2]" 1
1328 1 58 ILE MG 1 62 GLU HB3 . . 3.610 3.628 3.356 4.081 0.471 13 0 "[ . 1 . 2]" 1
1329 1 58 ILE MG 1 62 GLU QG . . 3.330 1.907 1.856 2.070 . 0 0 "[ . 1 . 2]" 1
1330 1 58 ILE MG 1 63 LEU H . . 3.360 2.969 2.586 3.179 . 0 0 "[ . 1 . 2]" 1
1331 1 58 ILE MG 1 63 LEU HA . . 4.250 2.583 2.288 2.780 . 0 0 "[ . 1 . 2]" 1
1332 1 58 ILE MG 1 63 LEU QB . . 5.430 2.783 2.570 2.909 . 0 0 "[ . 1 . 2]" 1
1333 1 58 ILE MG 1 63 LEU MD2 . . 4.440 3.466 3.089 3.775 . 0 0 "[ . 1 . 2]" 1
1334 1 58 ILE MG 1 63 LEU HG . . 4.670 2.644 2.188 3.000 . 0 0 "[ . 1 . 2]" 1
1335 1 58 ILE MG 1 97 ILE H . . 5.300 3.930 3.751 4.159 . 0 0 "[ . 1 . 2]" 1
1336 1 59 GLU H 1 59 GLU HB2 . . 3.270 2.694 2.597 2.781 . 0 0 "[ . 1 . 2]" 1
1337 1 59 GLU H 1 59 GLU HB3 . . 3.650 3.590 3.563 3.618 . 0 0 "[ . 1 . 2]" 1
1338 1 59 GLU H 1 59 GLU HG2 . . 3.480 3.661 3.520 3.766 0.286 15 0 "[ . 1 . 2]" 1
1339 1 59 GLU H 1 59 GLU HG3 . . 4.060 2.450 2.075 2.693 . 0 0 "[ . 1 . 2]" 1
1340 1 59 GLU H 1 61 ASP H . . 5.030 4.905 4.682 5.072 0.042 14 0 "[ . 1 . 2]" 1
1341 1 59 GLU H 1 62 GLU H . . 4.400 4.168 3.893 4.408 0.008 17 0 "[ . 1 . 2]" 1
1342 1 59 GLU H 1 62 GLU HG2 . . 4.240 2.866 2.646 3.138 . 0 0 "[ . 1 . 2]" 1
1343 1 59 GLU H 1 62 GLU QG . . 3.520 2.395 2.135 2.665 . 0 0 "[ . 1 . 2]" 1
1344 1 59 GLU H 1 62 GLU HG3 . . 4.240 2.582 2.229 3.050 . 0 0 "[ . 1 . 2]" 1
1345 1 59 GLU H 1 96 LYS HB2 . . 5.180 3.801 3.297 4.207 . 0 0 "[ . 1 . 2]" 1
1346 1 59 GLU H 1 96 LYS HB3 . . 3.990 4.139 3.579 4.503 0.513 19 2 "[ . 1 - +2]" 1
1347 1 59 GLU H 1 97 ILE H . . 4.860 4.435 4.167 4.663 . 0 0 "[ . 1 . 2]" 1
1348 1 59 GLU HA 1 59 GLU HG3 . . 3.650 2.574 2.468 2.642 . 0 0 "[ . 1 . 2]" 1
1349 1 59 GLU HA 1 60 GLU H . . 3.030 2.468 2.351 2.548 . 0 0 "[ . 1 . 2]" 1
1350 1 59 GLU HA 1 62 GLU H . . 5.010 4.674 4.602 4.744 . 0 0 "[ . 1 . 2]" 1
1351 1 59 GLU HA 1 62 GLU QG . . 5.340 3.846 3.784 3.897 . 0 0 "[ . 1 . 2]" 1
1352 1 59 GLU HA 1 63 LEU H . . 5.500 5.012 4.817 5.170 . 0 0 "[ . 1 . 2]" 1
1353 1 59 GLU HA 1 96 LYS HB3 . . 4.050 2.883 2.344 3.308 . 0 0 "[ . 1 . 2]" 1
1354 1 59 GLU HA 1 96 LYS QD . . 5.500 4.507 3.980 4.961 . 0 0 "[ . 1 . 2]" 1
1355 1 59 GLU HA 1 96 LYS QG . . 5.500 4.676 4.354 4.913 . 0 0 "[ . 1 . 2]" 1
1356 1 59 GLU HA 1 97 ILE H . . 4.150 3.585 3.397 3.729 . 0 0 "[ . 1 . 2]" 1
1357 1 59 GLU HA 1 97 ILE QG . . 5.500 4.825 4.574 5.141 . 0 0 "[ . 1 . 2]" 1
1358 1 59 GLU HB2 1 59 GLU HG2 . . 2.620 2.706 2.649 2.782 0.162 1 0 "[ . 1 . 2]" 1
1359 1 59 GLU HB2 1 61 ASP H . . 3.170 2.739 2.600 2.930 . 0 0 "[ . 1 . 2]" 1
1360 1 59 GLU HB2 1 61 ASP QB . . 3.530 2.940 2.670 3.193 . 0 0 "[ . 1 . 2]" 1
1361 1 59 GLU HB2 1 62 GLU H . . 4.430 3.337 3.164 3.437 . 0 0 "[ . 1 . 2]" 1
1362 1 59 GLU HB2 1 96 LYS HB2 . . 5.500 5.366 5.140 5.601 0.101 9 0 "[ . 1 . 2]" 1
1363 1 59 GLU HB3 1 60 GLU H . . 3.080 2.373 2.195 2.625 . 0 0 "[ . 1 . 2]" 1
1364 1 59 GLU HB3 1 61 ASP H . . 3.910 3.046 2.935 3.160 . 0 0 "[ . 1 . 2]" 1
1365 1 59 GLU HB3 1 62 GLU QG . . 5.340 4.033 3.867 4.203 . 0 0 "[ . 1 . 2]" 1
1366 1 59 GLU HB3 1 96 LYS HB2 . . 5.500 4.923 4.655 5.123 . 0 0 "[ . 1 . 2]" 1
1367 1 59 GLU HB3 1 96 LYS QD . . 5.500 4.861 4.562 5.244 . 0 0 "[ . 1 . 2]" 1
1368 1 59 GLU HG2 1 96 LYS HB2 . . 4.880 4.296 3.883 4.626 . 0 0 "[ . 1 . 2]" 1
1369 1 59 GLU HG2 1 96 LYS HB3 . . 4.260 3.253 2.960 3.482 . 0 0 "[ . 1 . 2]" 1
1370 1 59 GLU HG2 1 96 LYS QD . . 3.740 4.017 3.781 4.225 0.485 19 0 "[ . 1 . 2]" 1
1371 1 59 GLU HG2 1 96 LYS QG . . 5.260 5.122 4.705 5.412 0.152 19 0 "[ . 1 . 2]" 1
1372 1 59 GLU HG3 1 60 GLU H . . 4.080 4.462 4.322 4.603 0.523 13 1 "[ . 1 + . 2]" 1
1373 1 59 GLU HG3 1 61 ASP H . . 5.440 5.367 5.269 5.442 0.002 8 0 "[ . 1 . 2]" 1
1374 1 59 GLU HG3 1 96 LYS H . . 5.500 5.379 4.931 5.615 0.115 14 0 "[ . 1 . 2]" 1
1375 1 59 GLU HG3 1 96 LYS QD . . 3.790 3.715 3.371 3.959 0.169 1 0 "[ . 1 . 2]" 1
1376 1 59 GLU HG3 1 96 LYS QG . . 4.510 4.123 3.707 4.398 . 0 0 "[ . 1 . 2]" 1
1377 1 60 GLU H 1 60 GLU HB2 . . 2.750 2.304 2.218 2.425 . 0 0 "[ . 1 . 2]" 1
1378 1 60 GLU H 1 60 GLU HG2 . . 4.240 3.946 3.791 4.030 . 0 0 "[ . 1 . 2]" 1
1379 1 60 GLU H 1 60 GLU HG3 . . 3.120 2.631 2.371 2.826 . 0 0 "[ . 1 . 2]" 1
1380 1 60 GLU H 1 61 ASP H . . 3.250 2.678 2.595 2.753 . 0 0 "[ . 1 . 2]" 1
1381 1 60 GLU H 1 61 ASP HA . . 5.350 5.261 5.193 5.323 . 0 0 "[ . 1 . 2]" 1
1382 1 60 GLU H 1 62 GLU H . . 4.500 4.155 4.059 4.251 . 0 0 "[ . 1 . 2]" 1
1383 1 60 GLU H 1 63 LEU H . . 5.500 4.499 4.472 4.524 . 0 0 "[ . 1 . 2]" 1
1384 1 60 GLU H 1 63 LEU QB . . 5.500 4.048 3.931 4.157 . 0 0 "[ . 1 . 2]" 1
1385 1 60 GLU H 1 63 LEU MD1 . . 5.500 4.612 4.337 4.810 . 0 0 "[ . 1 . 2]" 1
1386 1 60 GLU H 1 82 THR MG . . 5.500 5.207 5.119 5.301 . 0 0 "[ . 1 . 2]" 1
1387 1 60 GLU H 1 96 LYS HA . . 4.260 4.049 3.780 4.215 . 0 0 "[ . 1 . 2]" 1
1388 1 60 GLU H 1 96 LYS HB3 . . 5.500 4.852 4.466 5.224 . 0 0 "[ . 1 . 2]" 1
1389 1 60 GLU H 1 97 ILE H . . 5.500 5.538 5.395 5.603 0.103 2 0 "[ . 1 . 2]" 1
1390 1 60 GLU HA 1 60 GLU HB3 . . 2.890 2.603 2.544 2.646 . 0 0 "[ . 1 . 2]" 1
1391 1 60 GLU HA 1 60 GLU HG2 . . 3.190 2.695 2.561 2.794 . 0 0 "[ . 1 . 2]" 1
1392 1 60 GLU HA 1 60 GLU HG3 . . 2.810 2.587 2.517 2.656 . 0 0 "[ . 1 . 2]" 1
1393 1 60 GLU HA 1 61 ASP HA . . 5.500 4.815 4.794 4.825 . 0 0 "[ . 1 . 2]" 1
1394 1 60 GLU HA 1 61 ASP QB . . 5.340 5.223 5.153 5.342 0.002 12 0 "[ . 1 . 2]" 1
1395 1 60 GLU HA 1 62 GLU H . . 4.130 3.692 3.577 3.828 . 0 0 "[ . 1 . 2]" 1
1396 1 60 GLU HA 1 63 LEU H . . 3.570 2.875 2.807 3.015 . 0 0 "[ . 1 . 2]" 1
1397 1 60 GLU HA 1 63 LEU QB . . 3.160 2.085 1.986 2.192 . 0 0 "[ . 1 . 2]" 1
1398 1 60 GLU HA 1 63 LEU MD1 . . 3.160 3.013 2.829 3.133 . 0 0 "[ . 1 . 2]" 1
1399 1 60 GLU HA 1 63 LEU MD2 . . 5.500 4.517 4.378 4.610 . 0 0 "[ . 1 . 2]" 1
1400 1 60 GLU HA 1 63 LEU HG . . 4.990 4.469 4.328 4.661 . 0 0 "[ . 1 . 2]" 1
1401 1 60 GLU HA 1 64 LYS H . . 4.430 3.751 3.526 3.903 . 0 0 "[ . 1 . 2]" 1
1402 1 60 GLU HA 1 82 THR MG . . 5.310 2.816 2.738 2.901 . 0 0 "[ . 1 . 2]" 1
1403 1 60 GLU HB2 1 61 ASP H . . 3.510 2.952 2.897 3.046 . 0 0 "[ . 1 . 2]" 1
1404 1 60 GLU HB3 1 60 GLU HG2 . . 2.400 2.315 2.280 2.368 . 0 0 "[ . 1 . 2]" 1
1405 1 60 GLU HB3 1 82 THR HB . . 3.920 3.811 3.372 4.068 0.148 2 0 "[ . 1 . 2]" 1
1406 1 60 GLU HB3 1 82 THR MG . . 3.140 3.236 2.964 3.360 0.220 17 0 "[ . 1 . 2]" 1
1407 1 60 GLU HG2 1 82 THR HA . . 5.490 4.913 4.678 5.104 . 0 0 "[ . 1 . 2]" 1
1408 1 60 GLU HG2 1 82 THR HB . . 5.500 2.654 2.459 2.950 . 0 0 "[ . 1 . 2]" 1
1409 1 60 GLU HG2 1 82 THR MG . . 3.960 3.029 2.805 3.473 . 0 0 "[ . 1 . 2]" 1
1410 1 60 GLU HG3 1 61 ASP H . . 4.930 4.692 4.585 4.760 . 0 0 "[ . 1 . 2]" 1
1411 1 60 GLU HG3 1 82 THR HB . . 4.920 4.319 4.115 4.609 . 0 0 "[ . 1 . 2]" 1
1412 1 60 GLU HG3 1 83 LYS HA . . 5.500 5.342 5.063 5.491 . 0 0 "[ . 1 . 2]" 1
1413 1 60 GLU HG3 1 86 LEU QD . . 3.380 2.642 2.056 3.114 . 0 0 "[ . 1 . 2]" 1
1414 1 61 ASP H 1 61 ASP QB . . 2.390 2.208 2.108 2.328 . 0 0 "[ . 1 . 2]" 1
1415 1 61 ASP H 1 62 GLU H . . 3.020 2.628 2.577 2.649 . 0 0 "[ . 1 . 2]" 1
1416 1 61 ASP H 1 63 LEU H . . 5.500 3.852 3.760 3.968 . 0 0 "[ . 1 . 2]" 1
1417 1 61 ASP H 1 64 LYS H . . 5.500 5.102 5.049 5.160 . 0 0 "[ . 1 . 2]" 1
1418 1 61 ASP HA 1 61 ASP QB . . 2.500 2.457 2.411 2.512 0.012 13 0 "[ . 1 . 2]" 1
1419 1 61 ASP HA 1 64 LYS HB3 . . 5.400 4.776 4.682 4.898 . 0 0 "[ . 1 . 2]" 1
1420 1 61 ASP HA 1 64 LYS QD . . 3.610 3.707 3.554 3.942 0.332 13 0 "[ . 1 . 2]" 1
1421 1 61 ASP HA 1 64 LYS QE . . 5.500 3.568 3.131 4.043 . 0 0 "[ . 1 . 2]" 1
1422 1 61 ASP HA 1 64 LYS QG . . 4.410 2.888 2.809 2.983 . 0 0 "[ . 1 . 2]" 1
1423 1 61 ASP QB 1 62 GLU H . . 3.400 3.009 2.919 3.094 . 0 0 "[ . 1 . 2]" 1
1424 1 61 ASP QB 1 64 LYS QD . . 4.760 4.987 4.690 5.188 0.428 8 0 "[ . 1 . 2]" 1
1425 1 62 GLU H 1 62 GLU QB . . 3.560 3.079 3.015 3.109 . 0 0 "[ . 1 . 2]" 1
1426 1 62 GLU H 1 62 GLU HG2 . . 3.180 1.872 1.829 1.915 . 0 0 "[ . 1 . 2]" 1
1427 1 62 GLU H 1 62 GLU QG . . 2.630 1.834 1.803 1.876 . 0 0 "[ . 1 . 2]" 1
1428 1 62 GLU H 1 62 GLU HG3 . . 3.180 2.631 2.513 2.785 . 0 0 "[ . 1 . 2]" 1
1429 1 62 GLU H 1 63 LEU H . . 2.810 1.945 1.882 1.991 . 0 0 "[ . 1 . 2]" 1
1430 1 62 GLU H 1 63 LEU QB . . 5.500 3.613 3.560 3.669 . 0 0 "[ . 1 . 2]" 1
1431 1 62 GLU H 1 63 LEU MD1 . . 5.500 5.484 5.370 5.571 0.071 14 0 "[ . 1 . 2]" 1
1432 1 62 GLU H 1 63 LEU HG . . 5.500 5.721 5.585 5.866 0.366 14 0 "[ . 1 . 2]" 1
1433 1 62 GLU H 1 64 LYS QG . . 4.740 3.924 3.803 4.026 . 0 0 "[ . 1 . 2]" 1
1434 1 62 GLU H 1 82 THR MG . . 5.500 5.093 4.971 5.178 . 0 0 "[ . 1 . 2]" 1
1435 1 62 GLU HA 1 62 GLU QG . . 3.360 3.242 3.184 3.297 . 0 0 "[ . 1 . 2]" 1
1436 1 62 GLU HA 1 63 LEU H . . 3.560 3.424 3.355 3.495 . 0 0 "[ . 1 . 2]" 1
1437 1 62 GLU HA 1 65 TYR H . . 4.550 3.650 3.468 3.851 . 0 0 "[ . 1 . 2]" 1
1438 1 62 GLU HA 1 65 TYR QB . . 5.500 3.480 3.230 3.605 . 0 0 "[ . 1 . 2]" 1
1439 1 62 GLU HA 1 65 TYR QE . . 5.340 4.010 3.634 4.897 . 0 0 "[ . 1 . 2]" 1
1440 1 62 GLU QB 1 63 LEU H . . 4.110 3.512 3.252 3.678 . 0 0 "[ . 1 . 2]" 1
1441 1 62 GLU QB 1 63 LEU HA . . 5.340 4.108 3.939 4.217 . 0 0 "[ . 1 . 2]" 1
1442 1 62 GLU QB 1 64 LYS H . . 5.340 4.949 4.696 5.111 . 0 0 "[ . 1 . 2]" 1
1443 1 62 GLU QG 1 63 LEU H . . 4.150 2.784 2.455 2.962 . 0 0 "[ . 1 . 2]" 1
1444 1 62 GLU QG 1 63 LEU HA . . 5.340 4.137 3.748 4.405 . 0 0 "[ . 1 . 2]" 1
1445 1 62 GLU QG 1 64 LYS H . . 5.340 4.835 4.604 4.931 . 0 0 "[ . 1 . 2]" 1
1446 1 63 LEU H 1 63 LEU HA . . 2.800 2.840 2.792 2.885 0.085 1 0 "[ . 1 . 2]" 1
1447 1 63 LEU H 1 63 LEU QB . . 2.830 2.100 2.048 2.152 . 0 0 "[ . 1 . 2]" 1
1448 1 63 LEU H 1 63 LEU MD1 . . 5.240 4.189 4.112 4.232 . 0 0 "[ . 1 . 2]" 1
1449 1 63 LEU H 1 63 LEU MD2 . . 4.480 4.218 4.176 4.261 . 0 0 "[ . 1 . 2]" 1
1450 1 63 LEU H 1 63 LEU HG . . 4.700 4.055 3.921 4.185 . 0 0 "[ . 1 . 2]" 1
1451 1 63 LEU H 1 64 LYS H . . 3.220 2.532 2.363 2.738 . 0 0 "[ . 1 . 2]" 1
1452 1 63 LEU H 1 65 TYR H . . 4.590 4.100 3.956 4.234 . 0 0 "[ . 1 . 2]" 1
1453 1 63 LEU H 1 82 THR MG . . 5.100 3.883 3.770 4.006 . 0 0 "[ . 1 . 2]" 1
1454 1 63 LEU HA 1 63 LEU MD2 . . 3.620 2.170 2.053 2.303 . 0 0 "[ . 1 . 2]" 1
1455 1 63 LEU HA 1 64 LYS HG2 . . 5.500 5.618 5.542 5.739 0.239 19 0 "[ . 1 . 2]" 1
1456 1 63 LEU HA 1 64 LYS HG3 . . 5.500 5.288 5.157 5.405 . 0 0 "[ . 1 . 2]" 1
1457 1 63 LEU HA 1 65 TYR H . . 3.870 3.723 3.391 3.980 0.110 16 0 "[ . 1 . 2]" 1
1458 1 63 LEU HA 1 65 TYR QB . . 5.170 4.824 4.517 5.035 . 0 0 "[ . 1 . 2]" 1
1459 1 63 LEU HA 1 77 LEU QD . . 5.430 4.080 3.923 4.308 . 0 0 "[ . 1 . 2]" 1
1460 1 63 LEU HA 1 82 THR MG . . 4.870 4.079 3.970 4.202 . 0 0 "[ . 1 . 2]" 1
1461 1 63 LEU QB 1 64 LYS H . . 3.970 2.821 2.551 2.909 . 0 0 "[ . 1 . 2]" 1
1462 1 63 LEU QB 1 82 THR HA . . 4.260 3.825 3.649 3.947 . 0 0 "[ . 1 . 2]" 1
1463 1 63 LEU QB 1 82 THR HB . . 4.420 3.822 3.523 4.004 . 0 0 "[ . 1 . 2]" 1
1464 1 63 LEU QB 1 82 THR MG . . 2.640 1.966 1.858 2.119 . 0 0 "[ . 1 . 2]" 1
1465 1 63 LEU QB 1 85 PHE HB3 . . 5.150 4.531 4.356 4.762 . 0 0 "[ . 1 . 2]" 1
1466 1 63 LEU MD1 1 64 LYS H . . 5.450 4.769 4.479 4.886 . 0 0 "[ . 1 . 2]" 1
1467 1 63 LEU MD1 1 82 THR HA . . 5.500 3.448 3.059 3.740 . 0 0 "[ . 1 . 2]" 1
1468 1 63 LEU MD1 1 82 THR HB . . 5.500 3.742 3.407 4.061 . 0 0 "[ . 1 . 2]" 1
1469 1 63 LEU MD1 1 82 THR MG . . 4.410 2.828 2.514 3.119 . 0 0 "[ . 1 . 2]" 1
1470 1 63 LEU MD1 1 85 PHE H . . 5.500 4.525 4.264 4.837 . 0 0 "[ . 1 . 2]" 1
1471 1 63 LEU MD1 1 85 PHE HA . . 5.500 4.617 4.321 4.900 . 0 0 "[ . 1 . 2]" 1
1472 1 63 LEU MD1 1 85 PHE HB2 . . 4.880 3.730 3.446 4.097 . 0 0 "[ . 1 . 2]" 1
1473 1 63 LEU MD1 1 85 PHE HB3 . . 4.220 2.215 1.969 2.553 . 0 0 "[ . 1 . 2]" 1
1474 1 63 LEU MD1 1 85 PHE HD1 . . 4.610 2.309 2.041 2.582 . 0 0 "[ . 1 . 2]" 1
1475 1 63 LEU MD1 1 86 LEU H . . 5.320 3.045 2.942 3.250 . 0 0 "[ . 1 . 2]" 1
1476 1 63 LEU MD1 1 86 LEU HA . . 4.460 3.072 2.804 3.372 . 0 0 "[ . 1 . 2]" 1
1477 1 63 LEU MD1 1 86 LEU HB3 . . 5.500 3.782 3.387 4.159 . 0 0 "[ . 1 . 2]" 1
1478 1 63 LEU MD1 1 87 ALA H . . 5.500 5.028 4.903 5.119 . 0 0 "[ . 1 . 2]" 1
1479 1 63 LEU MD2 1 64 LYS H . . 5.500 4.110 3.946 4.225 . 0 0 "[ . 1 . 2]" 1
1480 1 63 LEU MD2 1 65 TYR H . . 5.500 4.549 4.248 4.794 . 0 0 "[ . 1 . 2]" 1
1481 1 63 LEU MD2 1 85 PHE H . . 5.500 4.836 4.621 4.976 . 0 0 "[ . 1 . 2]" 1
1482 1 63 LEU MD2 1 85 PHE HB2 . . 4.440 3.377 3.117 3.636 . 0 0 "[ . 1 . 2]" 1
1483 1 63 LEU MD2 1 85 PHE HB3 . . 3.680 2.694 2.549 2.783 . 0 0 "[ . 1 . 2]" 1
1484 1 63 LEU MD2 1 85 PHE HD1 . . 4.310 2.795 2.599 2.977 . 0 0 "[ . 1 . 2]" 1
1485 1 63 LEU MD2 1 86 LEU H . . 5.440 4.433 4.199 4.634 . 0 0 "[ . 1 . 2]" 1
1486 1 63 LEU MD2 1 86 LEU HA . . 4.600 4.964 4.663 5.286 0.686 2 7 "[ + *. 1* *. -* *]" 1
1487 1 63 LEU MD2 1 89 ALA MB . . 5.500 4.967 4.745 5.215 . 0 0 "[ . 1 . 2]" 1
1488 1 63 LEU MD2 1 97 ILE HB . . 5.220 5.103 4.867 5.286 0.066 20 0 "[ . 1 . 2]" 1
1489 1 63 LEU MD2 1 97 ILE MD . . 5.080 4.257 3.917 4.563 . 0 0 "[ . 1 . 2]" 1
1490 1 63 LEU MD2 1 97 ILE QG . . 3.670 3.503 3.373 3.557 . 0 0 "[ . 1 . 2]" 1
1491 1 63 LEU HG 1 85 PHE HB3 . . 5.290 4.691 4.431 4.998 . 0 0 "[ . 1 . 2]" 1
1492 1 63 LEU HG 1 85 PHE HD1 . . 5.500 4.006 3.727 4.367 . 0 0 "[ . 1 . 2]" 1
1493 1 63 LEU HG 1 97 ILE HB . . 5.500 4.094 3.816 4.310 . 0 0 "[ . 1 . 2]" 1
1494 1 63 LEU HG 1 97 ILE QG . . 5.500 2.871 2.477 3.195 . 0 0 "[ . 1 . 2]" 1
1495 1 64 LYS H 1 64 LYS HB2 . . 3.720 3.574 3.567 3.592 . 0 0 "[ . 1 . 2]" 1
1496 1 64 LYS H 1 64 LYS HB3 . . 3.700 2.724 2.625 2.774 . 0 0 "[ . 1 . 2]" 1
1497 1 64 LYS H 1 64 LYS QD . . 4.630 4.022 3.957 4.150 . 0 0 "[ . 1 . 2]" 1
1498 1 64 LYS H 1 64 LYS QE . . 5.500 4.089 4.012 4.222 . 0 0 "[ . 1 . 2]" 1
1499 1 64 LYS H 1 64 LYS QG . . 3.770 2.081 2.048 2.186 . 0 0 "[ . 1 . 2]" 1
1500 1 64 LYS H 1 65 TYR H . . 2.930 2.650 2.611 2.798 . 0 0 "[ . 1 . 2]" 1
1501 1 64 LYS H 1 77 LEU H . . 5.430 4.977 4.877 5.171 . 0 0 "[ . 1 . 2]" 1
1502 1 64 LYS H 1 77 LEU HB2 . . 4.840 4.504 4.379 4.644 . 0 0 "[ . 1 . 2]" 1
1503 1 64 LYS H 1 77 LEU QD . . 4.720 3.990 3.722 4.225 . 0 0 "[ . 1 . 2]" 1
1504 1 64 LYS H 1 82 THR MG . . 3.900 2.789 2.551 2.874 . 0 0 "[ . 1 . 2]" 1
1505 1 64 LYS HA 1 64 LYS QD . . 4.730 4.420 4.330 4.471 . 0 0 "[ . 1 . 2]" 1
1506 1 64 LYS HA 1 65 TYR HA . . 5.500 4.635 4.582 4.723 . 0 0 "[ . 1 . 2]" 1
1507 1 64 LYS HA 1 66 PHE H . . 4.500 3.526 3.262 3.746 . 0 0 "[ . 1 . 2]" 1
1508 1 64 LYS HA 1 76 VAL MG1 . . 5.500 5.123 4.918 5.368 . 0 0 "[ . 1 . 2]" 1
1509 1 64 LYS HA 1 77 LEU H . . 3.150 2.585 2.472 2.729 . 0 0 "[ . 1 . 2]" 1
1510 1 64 LYS HA 1 77 LEU HB2 . . 3.500 1.915 1.874 2.018 . 0 0 "[ . 1 . 2]" 1
1511 1 64 LYS HA 1 77 LEU QD . . 3.670 2.396 2.119 2.599 . 0 0 "[ . 1 . 2]" 1
1512 1 64 LYS HA 1 77 LEU HG . . 3.400 2.313 2.120 2.542 . 0 0 "[ . 1 . 2]" 1
1513 1 64 LYS HA 1 78 THR H . . 5.500 5.713 5.528 5.772 0.272 9 0 "[ . 1 . 2]" 1
1514 1 64 LYS HA 1 82 THR MG . . 2.980 2.023 1.911 2.165 . 0 0 "[ . 1 . 2]" 1
1515 1 64 LYS HB2 1 65 TYR H . . 4.520 3.871 3.731 4.083 . 0 0 "[ . 1 . 2]" 1
1516 1 64 LYS HB2 1 65 TYR HA . . 5.500 4.446 4.353 4.531 . 0 0 "[ . 1 . 2]" 1
1517 1 64 LYS HB2 1 65 TYR QE . . 5.140 5.114 4.837 5.456 0.316 5 0 "[ . 1 . 2]" 1
1518 1 64 LYS HB2 1 76 VAL HA . . 5.050 3.927 3.587 4.115 . 0 0 "[ . 1 . 2]" 1
1519 1 64 LYS HB2 1 76 VAL MG1 . . 3.370 3.471 3.325 3.630 0.260 16 0 "[ . 1 . 2]" 1
1520 1 64 LYS HB2 1 77 LEU H . . 4.740 2.410 2.017 2.998 . 0 0 "[ . 1 . 2]" 1
1521 1 64 LYS HB3 1 64 LYS QE . . 4.560 2.352 2.170 2.640 . 0 0 "[ . 1 . 2]" 1
1522 1 64 LYS HB3 1 65 TYR H . . 5.040 4.223 4.122 4.370 . 0 0 "[ . 1 . 2]" 1
1523 1 64 LYS HB3 1 77 LEU H . . 4.260 3.549 3.255 4.037 . 0 0 "[ . 1 . 2]" 1
1524 1 64 LYS HB3 1 82 THR MG . . 3.420 2.396 2.156 2.578 . 0 0 "[ . 1 . 2]" 1
1525 1 64 LYS QD 1 64 LYS QG . . 2.340 2.008 2.000 2.020 . 0 0 "[ . 1 . 2]" 1
1526 1 64 LYS QD 1 65 TYR HD1 . . 4.630 4.115 3.677 4.494 . 0 0 "[ . 1 . 2]" 1
1527 1 64 LYS QD 1 65 TYR QE . . 4.540 3.003 2.285 3.457 . 0 0 "[ . 1 . 2]" 1
1528 1 64 LYS QD 1 76 VAL HB . . 3.760 2.508 1.990 2.865 . 0 0 "[ . 1 . 2]" 1
1529 1 64 LYS QD 1 76 VAL MG1 . . 3.770 2.430 2.175 2.602 . 0 0 "[ . 1 . 2]" 1
1530 1 64 LYS QE 1 64 LYS QG . . 3.030 2.277 2.164 2.355 . 0 0 "[ . 1 . 2]" 1
1531 1 64 LYS QE 1 65 TYR HD1 . . 5.500 5.963 5.559 6.379 0.879 10 8 "[** ** +* . -*]" 1
1532 1 64 LYS QE 1 65 TYR QE . . 4.190 4.800 4.331 5.280 1.090 5 13 "[* - +****1* **.* **]" 1
1533 1 64 LYS QE 1 76 VAL HB . . 3.830 3.436 2.979 3.570 . 0 0 "[ . 1 . 2]" 1
1534 1 64 LYS QE 1 76 VAL MG1 . . 3.210 3.632 3.312 3.751 0.541 20 5 "[ -** 1* . +]" 1
1535 1 64 LYS QE 1 77 LEU H . . 5.500 4.374 3.963 4.930 . 0 0 "[ . 1 . 2]" 1
1536 1 64 LYS QG 1 65 TYR H . . 4.340 2.285 2.057 2.646 . 0 0 "[ . 1 . 2]" 1
1537 1 64 LYS QG 1 65 TYR HA . . 5.340 3.944 3.773 4.108 . 0 0 "[ . 1 . 2]" 1
1538 1 64 LYS HG2 1 65 TYR H . . 5.060 3.665 3.421 4.057 . 0 0 "[ . 1 . 2]" 1
1539 1 64 LYS HG2 1 65 TYR QB . . 5.500 5.158 4.882 5.382 . 0 0 "[ . 1 . 2]" 1
1540 1 64 LYS HG3 1 65 TYR H . . 5.060 2.309 2.074 2.682 . 0 0 "[ . 1 . 2]" 1
1541 1 64 LYS HG3 1 65 TYR QB . . 5.500 3.685 3.445 3.840 . 0 0 "[ . 1 . 2]" 1
1542 1 65 TYR H 1 65 TYR QB . . 2.890 2.368 2.285 2.468 . 0 0 "[ . 1 . 2]" 1
1543 1 65 TYR H 1 66 PHE H . . 3.300 2.898 2.677 3.234 . 0 0 "[ . 1 . 2]" 1
1544 1 65 TYR H 1 67 LEU H . . 5.380 5.038 4.860 5.277 . 0 0 "[ . 1 . 2]" 1
1545 1 65 TYR H 1 69 ARG QD . . 5.340 5.018 4.556 5.555 0.215 5 0 "[ . 1 . 2]" 1
1546 1 65 TYR H 1 76 VAL HA . . 5.500 5.034 4.898 5.226 . 0 0 "[ . 1 . 2]" 1
1547 1 65 TYR H 1 77 LEU H . . 5.130 4.670 4.573 4.791 . 0 0 "[ . 1 . 2]" 1
1548 1 65 TYR H 1 77 LEU QD . . 4.690 4.290 4.094 4.401 . 0 0 "[ . 1 . 2]" 1
1549 1 65 TYR H 1 77 LEU HG . . 5.500 4.411 4.086 4.644 . 0 0 "[ . 1 . 2]" 1
1550 1 65 TYR H 1 82 THR MG . . 5.500 4.425 4.173 4.523 . 0 0 "[ . 1 . 2]" 1
1551 1 65 TYR HA 1 65 TYR HD1 . . 3.640 2.183 1.975 2.678 . 0 0 "[ . 1 . 2]" 1
1552 1 65 TYR HA 1 67 LEU H . . 4.490 3.317 3.185 3.587 . 0 0 "[ . 1 . 2]" 1
1553 1 65 TYR HA 1 68 GLN H . . 5.150 3.285 3.144 3.535 . 0 0 "[ . 1 . 2]" 1
1554 1 65 TYR HA 1 68 GLN QB . . 4.470 2.875 2.525 3.112 . 0 0 "[ . 1 . 2]" 1
1555 1 65 TYR HA 1 68 GLN HE21 . . 5.060 3.178 2.979 3.496 . 0 0 "[ . 1 . 2]" 1
1556 1 65 TYR HA 1 68 GLN HE22 . . 4.790 2.996 2.780 3.448 . 0 0 "[ . 1 . 2]" 1
1557 1 65 TYR HA 1 68 GLN HG2 . . 5.500 5.054 4.642 5.338 . 0 0 "[ . 1 . 2]" 1
1558 1 65 TYR HA 1 68 GLN HG3 . . 5.500 5.187 4.931 5.456 . 0 0 "[ . 1 . 2]" 1
1559 1 65 TYR HA 1 69 ARG H . . 5.500 5.607 5.365 5.727 0.227 12 0 "[ . 1 . 2]" 1
1560 1 65 TYR HA 1 76 VAL HA . . 4.940 3.039 2.808 3.288 . 0 0 "[ . 1 . 2]" 1
1561 1 65 TYR HA 1 76 VAL MG1 . . 5.500 3.187 2.953 3.412 . 0 0 "[ . 1 . 2]" 1
1562 1 65 TYR QB 1 65 TYR HD2 . . 3.260 2.277 2.263 2.308 . 0 0 "[ . 1 . 2]" 1
1563 1 65 TYR QB 1 66 PHE H . . 4.570 3.763 3.629 3.894 . 0 0 "[ . 1 . 2]" 1
1564 1 65 TYR QB 1 68 GLN H . . 4.940 3.495 3.305 3.748 . 0 0 "[ . 1 . 2]" 1
1565 1 65 TYR QB 1 68 GLN HB2 . . 5.500 2.206 1.953 2.535 . 0 0 "[ . 1 . 2]" 1
1566 1 65 TYR QB 1 68 GLN HB3 . . 5.500 3.028 2.613 3.393 . 0 0 "[ . 1 . 2]" 1
1567 1 65 TYR QB 1 68 GLN HE22 . . 5.500 4.313 3.927 4.789 . 0 0 "[ . 1 . 2]" 1
1568 1 65 TYR QB 1 69 ARG H . . 5.500 4.913 4.573 5.150 . 0 0 "[ . 1 . 2]" 1
1569 1 65 TYR QB 1 69 ARG QD . . 5.330 3.185 2.744 4.495 . 0 0 "[ . 1 . 2]" 1
1570 1 65 TYR HD1 1 68 GLN QB . . 4.180 2.981 2.392 3.413 . 0 0 "[ . 1 . 2]" 1
1571 1 65 TYR HD1 1 68 GLN HE21 . . 4.880 3.286 2.883 3.629 . 0 0 "[ . 1 . 2]" 1
1572 1 65 TYR HD1 1 76 VAL MG1 . . 4.650 2.169 1.961 2.356 . 0 0 "[ . 1 . 2]" 1
1573 1 65 TYR QE 1 76 VAL HA . . 5.500 4.855 4.532 5.167 . 0 0 "[ . 1 . 2]" 1
1574 1 65 TYR QE 1 76 VAL MG1 . . 4.270 2.039 1.886 2.319 . 0 0 "[ . 1 . 2]" 1
1575 1 65 TYR QE 1 77 LEU H . . 5.500 6.068 5.844 6.374 0.874 8 11 "[ **-. +*** **** 2]" 1
1576 1 66 PHE H 1 66 PHE HB2 . . 3.100 2.729 2.513 2.889 . 0 0 "[ . 1 . 2]" 1
1577 1 66 PHE H 1 66 PHE HB3 . . 2.830 2.382 2.307 2.549 . 0 0 "[ . 1 . 2]" 1
1578 1 66 PHE H 1 67 LEU H . . 3.280 2.587 2.283 2.793 . 0 0 "[ . 1 . 2]" 1
1579 1 66 PHE H 1 67 LEU QD . . 5.010 3.589 3.156 3.731 . 0 0 "[ . 1 . 2]" 1
1580 1 66 PHE H 1 77 LEU H . . 4.790 4.205 3.564 4.541 . 0 0 "[ . 1 . 2]" 1
1581 1 66 PHE H 1 77 LEU QD . . 3.090 2.953 2.687 3.054 . 0 0 "[ . 1 . 2]" 1
1582 1 66 PHE H 1 77 LEU HG . . 3.090 2.758 2.438 3.001 . 0 0 "[ . 1 . 2]" 1
1583 1 66 PHE HA 1 66 PHE QD . . 3.650 2.663 2.509 3.192 . 0 0 "[ . 1 . 2]" 1
1584 1 66 PHE HA 1 69 ARG H . . 5.140 4.117 3.865 4.362 . 0 0 "[ . 1 . 2]" 1
1585 1 66 PHE HA 1 77 LEU QD . . 5.090 4.152 3.871 4.277 . 0 0 "[ . 1 . 2]" 1
1586 1 66 PHE HB2 1 66 PHE QD . . 2.820 2.523 2.278 2.594 . 0 0 "[ . 1 . 2]" 1
1587 1 66 PHE HB2 1 66 PHE HE1 . . 5.080 4.797 4.673 5.458 0.378 8 0 "[ . 1 . 2]" 1
1588 1 66 PHE HB2 1 67 LEU H . . 4.460 4.152 3.907 4.259 . 0 0 "[ . 1 . 2]" 1
1589 1 66 PHE HB2 1 67 LEU QD . . 4.530 3.779 3.510 4.017 . 0 0 "[ . 1 . 2]" 1
1590 1 66 PHE HB2 1 67 LEU HG . . 5.500 5.394 5.193 5.539 0.039 2 0 "[ . 1 . 2]" 1
1591 1 66 PHE HB2 1 77 LEU QD . . 3.400 2.575 1.967 2.726 . 0 0 "[ . 1 . 2]" 1
1592 1 66 PHE HB2 1 77 LEU HG . . 5.500 4.052 3.269 4.311 . 0 0 "[ . 1 . 2]" 1
1593 1 66 PHE HB3 1 66 PHE QD . . 3.320 2.301 2.268 2.550 . 0 0 "[ . 1 . 2]" 1
1594 1 66 PHE HB3 1 67 LEU H . . 3.310 2.970 2.618 3.159 . 0 0 "[ . 1 . 2]" 1
1595 1 66 PHE HB3 1 67 LEU QD . . 4.770 2.345 1.964 2.719 . 0 0 "[ . 1 . 2]" 1
1596 1 66 PHE HB3 1 67 LEU HG . . 4.460 3.751 3.539 3.942 . 0 0 "[ . 1 . 2]" 1
1597 1 66 PHE HB3 1 68 GLN H . . 5.460 4.923 4.679 5.030 . 0 0 "[ . 1 . 2]" 1
1598 1 66 PHE HB3 1 77 LEU H . . 5.500 5.199 4.395 5.580 0.080 20 0 "[ . 1 . 2]" 1
1599 1 66 PHE HB3 1 77 LEU QD . . 3.390 1.912 1.781 1.975 . 0 0 "[ . 1 . 2]" 1
1600 1 66 PHE HB3 1 77 LEU HG . . 4.880 2.953 2.568 3.129 . 0 0 "[ . 1 . 2]" 1
1601 1 66 PHE QD 1 67 LEU H . . 4.420 3.811 3.174 4.009 . 0 0 "[ . 1 . 2]" 1
1602 1 66 PHE QD 1 67 LEU QD . . 5.500 1.788 1.736 1.827 . 0 0 "[ . 1 . 2]" 1
1603 1 66 PHE QD 1 67 LEU HG . . 4.390 3.998 3.755 4.146 . 0 0 "[ . 1 . 2]" 1
1604 1 66 PHE QD 1 68 GLN H . . 5.500 5.309 4.680 5.420 . 0 0 "[ . 1 . 2]" 1
1605 1 66 PHE QD 1 77 LEU QD . . 4.950 2.445 2.137 2.863 . 0 0 "[ . 1 . 2]" 1
1606 1 66 PHE HE2 1 67 LEU QD . . 5.190 3.260 3.022 5.418 0.228 8 0 "[ . 1 . 2]" 1
1607 1 66 PHE HE2 1 77 LEU QD . . 5.500 4.178 3.889 4.669 . 0 0 "[ . 1 . 2]" 1
1608 1 67 LEU H 1 67 LEU HB2 . . 3.890 2.801 2.677 2.890 . 0 0 "[ . 1 . 2]" 1
1609 1 67 LEU H 1 67 LEU QB . . 3.260 2.710 2.613 2.776 . 0 0 "[ . 1 . 2]" 1
1610 1 67 LEU H 1 67 LEU HB3 . . 3.890 3.615 3.580 3.678 . 0 0 "[ . 1 . 2]" 1
1611 1 67 LEU H 1 67 LEU QD . . 3.890 2.311 2.096 2.620 . 0 0 "[ . 1 . 2]" 1
1612 1 67 LEU H 1 67 LEU HG . . 3.070 2.198 2.072 2.408 . 0 0 "[ . 1 . 2]" 1
1613 1 67 LEU H 1 68 GLN H . . 3.050 2.366 2.187 2.461 . 0 0 "[ . 1 . 2]" 1
1614 1 67 LEU H 1 68 GLN HE21 . . 5.500 3.486 3.273 3.657 . 0 0 "[ . 1 . 2]" 1
1615 1 67 LEU H 1 69 ARG H . . 5.500 4.149 3.967 4.233 . 0 0 "[ . 1 . 2]" 1
1616 1 67 LEU H 1 70 PHE H . . 5.500 5.433 5.203 5.540 0.040 19 0 "[ . 1 . 2]" 1
1617 1 67 LEU H 1 74 ALA MB . . 5.500 4.694 4.489 4.795 . 0 0 "[ . 1 . 2]" 1
1618 1 67 LEU H 1 77 LEU QD . . 4.790 3.289 2.978 3.439 . 0 0 "[ . 1 . 2]" 1
1619 1 67 LEU HA 1 67 LEU HG . . 3.800 3.631 3.557 3.685 . 0 0 "[ . 1 . 2]" 1
1620 1 67 LEU HA 1 68 GLN H . . 3.540 3.347 3.279 3.408 . 0 0 "[ . 1 . 2]" 1
1621 1 67 LEU HA 1 69 ARG H . . 3.990 3.405 3.312 3.539 . 0 0 "[ . 1 . 2]" 1
1622 1 67 LEU HA 1 69 ARG QD . . 5.340 5.378 4.484 5.571 0.231 19 0 "[ . 1 . 2]" 1
1623 1 67 LEU HA 1 70 PHE H . . 3.970 3.485 3.383 3.576 . 0 0 "[ . 1 . 2]" 1
1624 1 67 LEU HA 1 70 PHE HB2 . . 4.200 3.637 3.405 3.799 . 0 0 "[ . 1 . 2]" 1
1625 1 67 LEU HA 1 70 PHE HB3 . . 5.500 5.369 5.087 5.559 0.059 8 0 "[ . 1 . 2]" 1
1626 1 67 LEU HA 1 71 GLU H . . 5.050 4.099 3.864 4.414 . 0 0 "[ . 1 . 2]" 1
1627 1 67 LEU QB 1 68 GLN H . . 4.330 3.259 3.137 3.393 . 0 0 "[ . 1 . 2]" 1
1628 1 67 LEU QB 1 68 GLN HA . . 5.340 4.002 3.930 4.067 . 0 0 "[ . 1 . 2]" 1
1629 1 67 LEU QB 1 74 ALA MB . . 3.110 2.214 2.053 2.318 . 0 0 "[ . 1 . 2]" 1
1630 1 67 LEU HB2 1 77 LEU QD . . 5.500 4.160 3.852 4.489 . 0 0 "[ . 1 . 2]" 1
1631 1 67 LEU HB3 1 77 LEU QD . . 5.500 4.395 4.277 4.718 . 0 0 "[ . 1 . 2]" 1
1632 1 67 LEU QD 1 68 GLN H . . 5.180 3.945 3.880 4.024 . 0 0 "[ . 1 . 2]" 1
1633 1 67 LEU QD 1 68 GLN HE21 . . 5.100 4.232 4.146 4.337 . 0 0 "[ . 1 . 2]" 1
1634 1 67 LEU QD 1 74 ALA MB . . 3.840 2.711 2.515 2.892 . 0 0 "[ . 1 . 2]" 1
1635 1 67 LEU QD 1 75 ARG H . . 4.420 3.402 3.140 3.509 . 0 0 "[ . 1 . 2]" 1
1636 1 67 LEU QD 1 75 ARG HD2 . . 5.500 4.244 3.510 4.719 . 0 0 "[ . 1 . 2]" 1
1637 1 67 LEU QD 1 75 ARG HD3 . . 5.500 3.575 3.204 3.834 . 0 0 "[ . 1 . 2]" 1
1638 1 67 LEU QD 1 75 ARG HG3 . . 3.410 2.552 2.102 2.851 . 0 0 "[ . 1 . 2]" 1
1639 1 67 LEU QD 1 77 LEU H . . 5.500 4.209 3.670 4.725 . 0 0 "[ . 1 . 2]" 1
1640 1 67 LEU QD 1 77 LEU QD . . 2.670 1.782 1.693 1.932 . 0 0 "[ . 1 . 2]" 1
1641 1 67 LEU HG 1 68 GLN H . . 4.660 4.183 3.933 4.470 . 0 0 "[ . 1 . 2]" 1
1642 1 67 LEU HG 1 77 LEU QD . . 4.050 2.202 1.939 2.636 . 0 0 "[ . 1 . 2]" 1
1643 1 68 GLN H 1 68 GLN QB . . 2.920 2.147 2.112 2.177 . 0 0 "[ . 1 . 2]" 1
1644 1 68 GLN H 1 68 GLN HE22 . . 5.500 3.971 3.817 4.072 . 0 0 "[ . 1 . 2]" 1
1645 1 68 GLN H 1 69 ARG H . . 4.280 2.482 2.343 2.637 . 0 0 "[ . 1 . 2]" 1
1646 1 68 GLN H 1 69 ARG QD . . 3.670 3.441 3.139 4.623 0.953 5 1 "[ + 1 . 2]" 1
1647 1 68 GLN H 1 69 ARG QG . . 4.020 3.106 2.806 3.915 . 0 0 "[ . 1 . 2]" 1
1648 1 68 GLN H 1 70 PHE HB2 . . 5.500 5.947 5.690 6.220 0.720 8 8 "[* * .**+ 1 . *-*2]" 1
1649 1 68 GLN H 1 72 SER HA . . 5.500 5.457 5.258 5.552 0.052 4 0 "[ . 1 . 2]" 1
1650 1 68 GLN H 1 74 ALA MB . . 4.990 4.372 4.160 4.445 . 0 0 "[ . 1 . 2]" 1
1651 1 68 GLN H 1 77 LEU QD . . 5.500 5.049 4.804 5.179 . 0 0 "[ . 1 . 2]" 1
1652 1 68 GLN HA 1 68 GLN HE21 . . 4.490 2.954 2.811 3.147 . 0 0 "[ . 1 . 2]" 1
1653 1 68 GLN HA 1 70 PHE H . . 4.600 4.278 4.193 4.642 0.042 15 0 "[ . 1 . 2]" 1
1654 1 68 GLN HA 1 71 GLU H . . 3.800 3.549 3.438 3.807 0.007 15 0 "[ . 1 . 2]" 1
1655 1 68 GLN HA 1 72 SER H . . 3.620 2.506 2.313 2.819 . 0 0 "[ . 1 . 2]" 1
1656 1 68 GLN HA 1 73 GLY H . . 4.880 2.248 2.058 2.364 . 0 0 "[ . 1 . 2]" 1
1657 1 68 GLN HA 1 73 GLY QA . . 5.340 4.343 4.113 4.467 . 0 0 "[ . 1 . 2]" 1
1658 1 68 GLN HA 1 74 ALA H . . 3.880 3.086 2.901 3.188 . 0 0 "[ . 1 . 2]" 1
1659 1 68 GLN HA 1 74 ALA MB . . 4.250 3.380 3.243 3.497 . 0 0 "[ . 1 . 2]" 1
1660 1 68 GLN QB 1 68 GLN HE21 . . 3.710 2.350 2.186 2.498 . 0 0 "[ . 1 . 2]" 1
1661 1 68 GLN QB 1 68 GLN HE22 . . 4.440 3.318 3.257 3.386 . 0 0 "[ . 1 . 2]" 1
1662 1 68 GLN QB 1 68 GLN HG2 . . 2.410 2.128 2.127 2.129 . 0 0 "[ . 1 . 2]" 1
1663 1 68 GLN QB 1 69 ARG HA . . 5.340 4.114 4.072 4.160 . 0 0 "[ . 1 . 2]" 1
1664 1 68 GLN HB2 1 74 ALA H . . 5.500 5.464 5.284 5.516 0.016 9 0 "[ . 1 . 2]" 1
1665 1 68 GLN HB3 1 74 ALA H . . 5.500 5.469 5.379 5.534 0.034 3 0 "[ . 1 . 2]" 1
1666 1 68 GLN HE21 1 68 GLN HG3 . . 2.970 2.664 2.569 2.764 . 0 0 "[ . 1 . 2]" 1
1667 1 68 GLN HE21 1 73 GLY H . . 5.000 4.191 3.975 4.386 . 0 0 "[ . 1 . 2]" 1
1668 1 68 GLN HE21 1 74 ALA H . . 4.610 4.224 3.972 4.404 . 0 0 "[ . 1 . 2]" 1
1669 1 68 GLN HE21 1 74 ALA HA . . 5.500 5.317 5.120 5.471 . 0 0 "[ . 1 . 2]" 1
1670 1 68 GLN HE21 1 74 ALA MB . . 3.990 3.490 3.295 3.703 . 0 0 "[ . 1 . 2]" 1
1671 1 68 GLN HE21 1 75 ARG HA . . 4.560 4.595 4.478 4.658 0.098 3 0 "[ . 1 . 2]" 1
1672 1 68 GLN HE21 1 75 ARG HG3 . . 5.500 5.803 5.482 5.991 0.491 5 0 "[ . 1 . 2]" 1
1673 1 68 GLN HE21 1 76 VAL H . . 5.240 5.187 5.065 5.308 0.068 13 0 "[ . 1 . 2]" 1
1674 1 68 GLN HE21 1 76 VAL MG1 . . 3.570 3.710 3.488 3.869 0.299 13 0 "[ . 1 . 2]" 1
1675 1 68 GLN HE22 1 68 GLN HG3 . . 3.700 3.663 3.621 3.708 0.008 11 0 "[ . 1 . 2]" 1
1676 1 68 GLN HE22 1 74 ALA H . . 5.500 5.302 5.005 5.497 . 0 0 "[ . 1 . 2]" 1
1677 1 68 GLN HE22 1 74 ALA MB . . 5.090 4.283 4.107 4.550 . 0 0 "[ . 1 . 2]" 1
1678 1 68 GLN HE22 1 75 ARG HA . . 4.470 3.547 3.258 3.798 . 0 0 "[ . 1 . 2]" 1
1679 1 68 GLN HE22 1 76 VAL H . . 4.550 3.737 3.510 4.022 . 0 0 "[ . 1 . 2]" 1
1680 1 68 GLN HE22 1 76 VAL HA . . 4.650 2.569 2.288 2.751 . 0 0 "[ . 1 . 2]" 1
1681 1 68 GLN HE22 1 76 VAL HB . . 4.940 4.053 3.777 4.340 . 0 0 "[ . 1 . 2]" 1
1682 1 68 GLN HE22 1 76 VAL MG1 . . 3.800 2.207 1.931 2.408 . 0 0 "[ . 1 . 2]" 1
1683 1 68 GLN HG2 1 72 SER HA . . 4.190 4.052 3.683 4.376 0.186 15 0 "[ . 1 . 2]" 1
1684 1 68 GLN HG3 1 72 SER HA . . 4.560 3.523 3.308 3.718 . 0 0 "[ . 1 . 2]" 1
1685 1 68 GLN HG3 1 73 GLY H . . 5.500 2.048 1.950 2.280 . 0 0 "[ . 1 . 2]" 1
1686 1 68 GLN HG3 1 74 ALA H . . 2.950 3.099 3.027 3.134 0.184 10 0 "[ . 1 . 2]" 1
1687 1 68 GLN HG3 1 74 ALA HA . . 5.340 5.096 4.938 5.185 . 0 0 "[ . 1 . 2]" 1
1688 1 68 GLN HG3 1 74 ALA MB . . 3.960 3.897 3.758 3.987 0.027 11 0 "[ . 1 . 2]" 1
1689 1 69 ARG H 1 69 ARG HB2 . . 4.050 2.933 2.466 3.626 . 0 0 "[ . 1 . 2]" 1
1690 1 69 ARG H 1 69 ARG HB3 . . 4.050 3.660 3.151 3.745 . 0 0 "[ . 1 . 2]" 1
1691 1 69 ARG H 1 69 ARG HD2 . . 4.310 3.333 2.732 4.428 0.118 8 0 "[ . 1 . 2]" 1
1692 1 69 ARG H 1 69 ARG QD . . 3.740 3.004 2.684 3.781 0.041 5 0 "[ . 1 . 2]" 1
1693 1 69 ARG H 1 69 ARG HD3 . . 4.310 3.890 2.802 4.455 0.145 19 0 "[ . 1 . 2]" 1
1694 1 69 ARG H 1 69 ARG QG . . 3.210 2.085 1.713 2.895 . 0 0 "[ . 1 . 2]" 1
1695 1 69 ARG H 1 71 GLU HB3 . . 5.500 5.159 4.883 5.421 . 0 0 "[ . 1 . 2]" 1
1696 1 69 ARG H 1 72 SER H . . 5.430 3.629 3.418 3.731 . 0 0 "[ . 1 . 2]" 1
1697 1 69 ARG HA 1 69 ARG QD . . 3.180 3.134 2.271 4.299 1.119 5 6 "[ + ** 1* * -2]" 1
1698 1 69 ARG HA 1 69 ARG QG . . 3.610 3.149 2.425 3.314 . 0 0 "[ . 1 . 2]" 1
1699 1 69 ARG HA 1 70 PHE QD . . 4.500 4.909 4.494 5.512 1.012 19 5 "[* **- 1 . +2]" 1
1700 1 69 ARG HA 1 71 GLU H . . 4.720 4.377 4.203 4.493 . 0 0 "[ . 1 . 2]" 1
1701 1 69 ARG QB 1 69 ARG QD . . 2.770 2.611 2.083 2.940 0.170 1 0 "[ . 1 . 2]" 1
1702 1 69 ARG QB 1 70 PHE H . . 3.650 2.870 2.514 3.464 . 0 0 "[ . 1 . 2]" 1
1703 1 69 ARG QB 1 70 PHE QD . . 4.090 2.712 2.256 4.110 0.020 5 0 "[ . 1 . 2]" 1
1704 1 69 ARG QB 1 71 GLU H . . 5.340 4.657 4.448 5.018 . 0 0 "[ . 1 . 2]" 1
1705 1 69 ARG HB2 1 70 PHE H . . 4.220 2.936 2.556 3.702 . 0 0 "[ . 1 . 2]" 1
1706 1 69 ARG HB3 1 70 PHE H . . 4.220 4.099 3.730 4.228 0.008 7 0 "[ . 1 . 2]" 1
1707 1 69 ARG QD 1 70 PHE H . . 4.340 4.495 3.962 5.068 0.728 6 3 "[ .+* 1 . -2]" 1
1708 1 69 ARG QG 1 70 PHE H . . 4.490 3.462 2.373 4.288 . 0 0 "[ . 1 . 2]" 1
1709 1 69 ARG QG 1 70 PHE QD . . 4.520 3.544 2.199 4.486 . 0 0 "[ . 1 . 2]" 1
1710 1 69 ARG QG 1 71 GLU H . . 5.340 5.010 4.214 5.461 0.121 11 0 "[ . 1 . 2]" 1
1711 1 70 PHE H 1 70 PHE HB2 . . 2.990 2.423 2.359 2.509 . 0 0 "[ . 1 . 2]" 1
1712 1 70 PHE H 1 70 PHE QD . . 3.120 2.432 2.047 2.939 . 0 0 "[ . 1 . 2]" 1
1713 1 70 PHE H 1 71 GLU H . . 2.660 2.136 2.050 2.311 . 0 0 "[ . 1 . 2]" 1
1714 1 70 PHE H 1 71 GLU HA . . 5.210 4.869 4.786 5.020 . 0 0 "[ . 1 . 2]" 1
1715 1 70 PHE H 1 71 GLU HB2 . . 5.440 4.405 4.170 4.589 . 0 0 "[ . 1 . 2]" 1
1716 1 70 PHE H 1 71 GLU HB3 . . 5.500 4.726 4.407 4.961 . 0 0 "[ . 1 . 2]" 1
1717 1 70 PHE H 1 72 SER H . . 4.930 3.472 3.335 3.564 . 0 0 "[ . 1 . 2]" 1
1718 1 70 PHE HA 1 70 PHE QD . . 4.220 3.021 2.654 3.138 . 0 0 "[ . 1 . 2]" 1
1719 1 70 PHE HA 1 71 GLU H . . 3.560 3.436 3.386 3.473 . 0 0 "[ . 1 . 2]" 1
1720 1 70 PHE HB2 1 71 GLU H . . 3.570 3.093 2.952 3.268 . 0 0 "[ . 1 . 2]" 1
1721 1 70 PHE HB2 1 71 GLU HA . . 5.500 4.729 4.505 4.859 . 0 0 "[ . 1 . 2]" 1
1722 1 70 PHE HB3 1 71 GLU H . . 4.280 3.933 3.823 4.038 . 0 0 "[ . 1 . 2]" 1
1723 1 70 PHE HB3 1 71 GLU HB2 . . 4.920 4.599 4.447 4.886 . 0 0 "[ . 1 . 2]" 1
1724 1 71 GLU H 1 71 GLU HB2 . . 2.940 2.727 2.514 2.905 . 0 0 "[ . 1 . 2]" 1
1725 1 71 GLU H 1 71 GLU HB3 . . 3.450 2.821 2.652 2.979 . 0 0 "[ . 1 . 2]" 1
1726 1 71 GLU H 1 72 SER H . . 2.400 1.963 1.888 2.071 . 0 0 "[ . 1 . 2]" 1
1727 1 71 GLU H 1 72 SER QB . . 5.340 4.454 4.172 4.869 . 0 0 "[ . 1 . 2]" 1
1728 1 71 GLU H 1 73 GLY H . . 5.500 4.516 4.313 4.826 . 0 0 "[ . 1 . 2]" 1
1729 1 71 GLU H 1 74 ALA MB . . 5.500 4.022 3.835 4.242 . 0 0 "[ . 1 . 2]" 1
1730 1 71 GLU HA 1 71 GLU HB2 . . 3.010 2.605 2.514 2.696 . 0 0 "[ . 1 . 2]" 1
1731 1 71 GLU HA 1 71 GLU QG . . 3.400 2.493 2.193 3.007 . 0 0 "[ . 1 . 2]" 1
1732 1 71 GLU HA 1 74 ALA H . . 5.500 5.006 4.800 5.267 . 0 0 "[ . 1 . 2]" 1
1733 1 71 GLU HB2 1 72 SER H . . 4.270 3.783 3.573 3.933 . 0 0 "[ . 1 . 2]" 1
1734 1 71 GLU HB2 1 73 GLY H . . 5.500 5.048 4.798 5.509 0.009 15 0 "[ . 1 . 2]" 1
1735 1 71 GLU HB2 1 74 ALA H . . 4.740 4.035 3.840 4.408 . 0 0 "[ . 1 . 2]" 1
1736 1 71 GLU HB2 1 74 ALA MB . . 4.540 2.843 2.510 3.040 . 0 0 "[ . 1 . 2]" 1
1737 1 71 GLU HB3 1 72 SER H . . 4.490 2.869 2.730 3.148 . 0 0 "[ . 1 . 2]" 1
1738 1 71 GLU HB3 1 73 GLY H . . 4.460 3.366 3.194 3.816 . 0 0 "[ . 1 . 2]" 1
1739 1 71 GLU HB3 1 74 ALA H . . 3.240 2.359 2.162 2.679 . 0 0 "[ . 1 . 2]" 1
1740 1 71 GLU QG 1 74 ALA H . . 4.420 3.287 2.561 3.830 . 0 0 "[ . 1 . 2]" 1
1741 1 71 GLU QG 1 74 ALA HA . . 4.930 3.804 3.262 4.072 . 0 0 "[ . 1 . 2]" 1
1742 1 71 GLU QG 1 74 ALA MB . . 3.210 2.382 1.930 3.068 . 0 0 "[ . 1 . 2]" 1
1743 1 71 GLU HG2 1 72 SER H . . 5.500 4.951 4.398 5.350 . 0 0 "[ . 1 . 2]" 1
1744 1 71 GLU HG2 1 74 ALA H . . 5.040 3.915 2.794 5.035 . 0 0 "[ . 1 . 2]" 1
1745 1 71 GLU HG3 1 72 SER H . . 5.500 4.761 4.126 5.411 . 0 0 "[ . 1 . 2]" 1
1746 1 71 GLU HG3 1 74 ALA H . . 5.040 3.833 2.641 5.017 . 0 0 "[ . 1 . 2]" 1
1747 1 72 SER H 1 72 SER HA . . 2.730 2.277 2.275 2.286 . 0 0 "[ . 1 . 2]" 1
1748 1 72 SER H 1 72 SER QB . . 3.280 3.109 2.905 3.440 0.160 1 0 "[ . 1 . 2]" 1
1749 1 72 SER H 1 74 ALA H . . 5.500 3.667 3.559 3.838 . 0 0 "[ . 1 . 2]" 1
1750 1 72 SER HA 1 72 SER QB . . 2.630 2.346 2.173 2.502 . 0 0 "[ . 1 . 2]" 1
1751 1 72 SER HA 1 74 ALA H . . 4.860 4.210 3.963 4.328 . 0 0 "[ . 1 . 2]" 1
1752 1 72 SER HB2 1 73 GLY H . . 5.400 4.499 4.212 4.666 . 0 0 "[ . 1 . 2]" 1
1753 1 72 SER HB3 1 73 GLY H . . 5.400 4.435 4.263 4.662 . 0 0 "[ . 1 . 2]" 1
1754 1 73 GLY H 1 73 GLY QA . . 2.550 2.462 2.426 2.480 . 0 0 "[ . 1 . 2]" 1
1755 1 73 GLY H 1 74 ALA H . . 3.030 1.901 1.886 1.941 . 0 0 "[ . 1 . 2]" 1
1756 1 73 GLY H 1 74 ALA HA . . 5.500 4.541 4.509 4.608 . 0 0 "[ . 1 . 2]" 1
1757 1 73 GLY H 1 74 ALA MB . . 4.870 3.500 3.417 3.625 . 0 0 "[ . 1 . 2]" 1
1758 1 73 GLY QA 1 74 ALA H . . 3.080 2.880 2.859 2.906 . 0 0 "[ . 1 . 2]" 1
1759 1 73 GLY QA 1 74 ALA MB . . 5.340 4.245 4.239 4.266 . 0 0 "[ . 1 . 2]" 1
1760 1 74 ALA H 1 74 ALA MB . . 2.930 2.125 2.100 2.179 . 0 0 "[ . 1 . 2]" 1
1761 1 74 ALA H 1 75 ARG H . . 4.580 4.566 4.512 4.600 0.020 3 0 "[ . 1 . 2]" 1
1762 1 74 ALA HA 1 75 ARG H . . 2.850 2.589 2.526 2.647 . 0 0 "[ . 1 . 2]" 1
1763 1 74 ALA HA 1 75 ARG HA . . 5.500 4.322 4.307 4.338 . 0 0 "[ . 1 . 2]" 1
1764 1 74 ALA HA 1 75 ARG HG2 . . 4.810 4.597 4.350 4.844 0.034 17 0 "[ . 1 . 2]" 1
1765 1 74 ALA MB 1 75 ARG H . . 3.170 2.044 1.919 2.187 . 0 0 "[ . 1 . 2]" 1
1766 1 75 ARG H 1 75 ARG HB2 . . 3.720 3.609 3.587 3.635 . 0 0 "[ . 1 . 2]" 1
1767 1 75 ARG H 1 75 ARG HB3 . . 3.720 2.606 2.460 2.758 . 0 0 "[ . 1 . 2]" 1
1768 1 75 ARG H 1 75 ARG HD2 . . 4.950 3.997 3.617 4.573 . 0 0 "[ . 1 . 2]" 1
1769 1 75 ARG H 1 75 ARG QD . . 4.310 3.760 3.459 4.149 . 0 0 "[ . 1 . 2]" 1
1770 1 75 ARG H 1 75 ARG HD3 . . 4.950 4.604 4.404 4.759 . 0 0 "[ . 1 . 2]" 1
1771 1 75 ARG H 1 75 ARG HE . . 5.500 5.248 4.447 5.596 0.096 4 0 "[ . 1 . 2]" 1
1772 1 75 ARG H 1 75 ARG HG2 . . 3.250 2.123 1.942 2.329 . 0 0 "[ . 1 . 2]" 1
1773 1 75 ARG H 1 75 ARG HG3 . . 3.280 3.263 2.751 3.577 0.297 17 0 "[ . 1 . 2]" 1
1774 1 75 ARG HA 1 75 ARG QB . . 2.640 2.179 2.175 2.181 . 0 0 "[ . 1 . 2]" 1
1775 1 75 ARG HA 1 76 VAL H . . 2.830 2.591 2.533 2.705 . 0 0 "[ . 1 . 2]" 1
1776 1 75 ARG HA 1 76 VAL MG1 . . 4.260 3.353 3.222 3.446 . 0 0 "[ . 1 . 2]" 1
1777 1 75 ARG HA 1 76 VAL MG2 . . 4.530 4.491 4.437 4.551 0.021 16 0 "[ . 1 . 2]" 1
1778 1 75 ARG QB 1 75 ARG QD . . 2.880 2.444 2.378 2.562 . 0 0 "[ . 1 . 2]" 1
1779 1 75 ARG QB 1 76 VAL H . . 3.260 2.103 1.927 2.261 . 0 0 "[ . 1 . 2]" 1
1780 1 75 ARG QB 1 76 VAL MG2 . . 5.340 3.649 3.493 3.842 . 0 0 "[ . 1 . 2]" 1
1781 1 75 ARG HB2 1 75 ARG HD2 . . 3.760 3.314 3.063 3.705 . 0 0 "[ . 1 . 2]" 1
1782 1 75 ARG HB2 1 75 ARG HD3 . . 3.760 3.506 2.638 3.715 . 0 0 "[ . 1 . 2]" 1
1783 1 75 ARG HB2 1 76 VAL H . . 3.780 2.117 1.936 2.280 . 0 0 "[ . 1 . 2]" 1
1784 1 75 ARG HB3 1 75 ARG HD2 . . 3.760 2.766 2.537 3.730 . 0 0 "[ . 1 . 2]" 1
1785 1 75 ARG HB3 1 75 ARG HD3 . . 3.760 3.686 3.344 3.781 0.021 15 0 "[ . 1 . 2]" 1
1786 1 75 ARG HB3 1 76 VAL H . . 3.780 3.609 3.450 3.743 . 0 0 "[ . 1 . 2]" 1
1787 1 75 ARG QD 1 76 VAL H . . 4.820 4.430 3.357 4.802 . 0 0 "[ . 1 . 2]" 1
1788 1 75 ARG HD2 1 76 VAL H . . 5.500 5.166 4.850 5.415 . 0 0 "[ . 1 . 2]" 1
1789 1 75 ARG HD3 1 76 VAL H . . 5.500 4.881 3.422 5.366 . 0 0 "[ . 1 . 2]" 1
1790 1 75 ARG HG2 1 76 VAL H . . 4.860 4.279 3.858 4.423 . 0 0 "[ . 1 . 2]" 1
1791 1 75 ARG HG3 1 76 VAL H . . 3.700 3.148 2.571 3.352 . 0 0 "[ . 1 . 2]" 1
1792 1 76 VAL H 1 76 VAL HB . . 3.750 3.722 3.689 3.782 0.032 3 0 "[ . 1 . 2]" 1
1793 1 76 VAL H 1 76 VAL MG1 . . 3.200 2.302 2.143 2.446 . 0 0 "[ . 1 . 2]" 1
1794 1 76 VAL H 1 76 VAL MG2 . . 3.170 2.296 2.232 2.363 . 0 0 "[ . 1 . 2]" 1
1795 1 76 VAL H 1 77 LEU H . . 4.740 4.439 4.354 4.561 . 0 0 "[ . 1 . 2]" 1
1796 1 76 VAL H 1 77 LEU QD . . 5.500 5.210 4.858 5.671 0.171 14 0 "[ . 1 . 2]" 1
1797 1 76 VAL HA 1 76 VAL MG1 . . 3.120 2.459 2.404 2.542 . 0 0 "[ . 1 . 2]" 1
1798 1 76 VAL HA 1 77 LEU H . . 2.750 2.578 2.275 2.752 0.002 12 0 "[ . 1 . 2]" 1
1799 1 76 VAL HA 1 77 LEU HA . . 5.500 4.364 4.302 4.399 . 0 0 "[ . 1 . 2]" 1
1800 1 76 VAL HA 1 77 LEU HB2 . . 5.500 4.994 4.845 5.093 . 0 0 "[ . 1 . 2]" 1
1801 1 76 VAL HA 1 77 LEU QD . . 5.500 3.647 3.294 4.042 . 0 0 "[ . 1 . 2]" 1
1802 1 76 VAL HB 1 77 LEU H . . 3.330 2.251 1.928 2.813 . 0 0 "[ . 1 . 2]" 1
1803 1 76 VAL MG1 1 77 LEU H . . 3.730 3.776 3.611 4.057 0.327 16 0 "[ . 1 . 2]" 1
1804 1 76 VAL MG2 1 77 LEU H . . 3.370 2.708 2.374 3.251 . 0 0 "[ . 1 . 2]" 1
1805 1 76 VAL MG2 1 77 LEU HA . . 5.500 3.876 3.668 4.190 . 0 0 "[ . 1 . 2]" 1
1806 1 76 VAL MG2 1 78 THR H . . 5.500 4.456 4.228 4.679 . 0 0 "[ . 1 . 2]" 1
1807 1 76 VAL MG2 1 78 THR HA . . 5.500 3.839 3.721 4.045 . 0 0 "[ . 1 . 2]" 1
1808 1 77 LEU H 1 77 LEU HB2 . . 3.700 2.604 2.546 2.684 . 0 0 "[ . 1 . 2]" 1
1809 1 77 LEU H 1 77 LEU QD . . 3.950 3.021 2.592 3.277 . 0 0 "[ . 1 . 2]" 1
1810 1 77 LEU H 1 77 LEU HG . . 4.460 2.413 2.027 2.654 . 0 0 "[ . 1 . 2]" 1
1811 1 77 LEU H 1 78 THR H . . 4.740 4.530 4.462 4.611 . 0 0 "[ . 1 . 2]" 1
1812 1 77 LEU H 1 78 THR HA . . 5.500 5.293 5.106 5.611 0.111 8 0 "[ . 1 . 2]" 1
1813 1 77 LEU H 1 81 GLU HB2 . . 5.500 5.130 4.994 5.331 . 0 0 "[ . 1 . 2]" 1
1814 1 77 LEU H 1 82 THR H . . 5.500 5.545 5.478 5.590 0.090 1 0 "[ . 1 . 2]" 1
1815 1 77 LEU H 1 82 THR MG . . 4.650 3.840 3.715 3.988 . 0 0 "[ . 1 . 2]" 1
1816 1 77 LEU HA 1 77 LEU QD . . 3.570 2.151 2.002 2.238 . 0 0 "[ . 1 . 2]" 1
1817 1 77 LEU HA 1 78 THR H . . 2.930 2.200 2.162 2.369 . 0 0 "[ . 1 . 2]" 1
1818 1 77 LEU HA 1 78 THR MG . . 4.970 3.947 3.896 4.023 . 0 0 "[ . 1 . 2]" 1
1819 1 77 LEU HA 1 81 GLU HB2 . . 4.560 2.939 2.754 3.253 . 0 0 "[ . 1 . 2]" 1
1820 1 77 LEU HB2 1 78 THR H . . 4.250 3.960 3.553 4.072 . 0 0 "[ . 1 . 2]" 1
1821 1 77 LEU HB2 1 78 THR HA . . 5.480 5.027 4.739 5.104 . 0 0 "[ . 1 . 2]" 1
1822 1 77 LEU HB2 1 81 GLU HB2 . . 4.650 3.532 3.455 3.672 . 0 0 "[ . 1 . 2]" 1
1823 1 77 LEU HB2 1 81 GLU QG . . 5.500 5.092 4.861 5.376 . 0 0 "[ . 1 . 2]" 1
1824 1 77 LEU HB2 1 82 THR H . . 3.750 3.182 3.114 3.230 . 0 0 "[ . 1 . 2]" 1
1825 1 77 LEU HB2 1 82 THR HB . . 5.020 4.455 4.363 4.561 . 0 0 "[ . 1 . 2]" 1
1826 1 77 LEU HB2 1 82 THR MG . . 4.260 1.966 1.924 2.186 . 0 0 "[ . 1 . 2]" 1
1827 1 77 LEU HB3 1 78 THR H . . 3.160 3.031 2.516 3.189 0.029 15 0 "[ . 1 . 2]" 1
1828 1 77 LEU HB3 1 81 GLU H . . 4.250 4.000 3.928 4.069 . 0 0 "[ . 1 . 2]" 1
1829 1 77 LEU HB3 1 81 GLU HB2 . . 3.450 1.999 1.930 2.075 . 0 0 "[ . 1 . 2]" 1
1830 1 77 LEU HB3 1 81 GLU QG . . 4.740 3.643 3.367 3.918 . 0 0 "[ . 1 . 2]" 1
1831 1 77 LEU HB3 1 82 THR H . . 3.590 2.426 2.311 2.611 . 0 0 "[ . 1 . 2]" 1
1832 1 77 LEU HB3 1 82 THR HA . . 4.490 3.449 3.256 3.718 . 0 0 "[ . 1 . 2]" 1
1833 1 77 LEU QD 1 78 THR H . . 5.020 3.539 3.392 3.651 . 0 0 "[ . 1 . 2]" 1
1834 1 77 LEU QD 1 81 GLU H . . 5.500 4.626 4.539 4.714 . 0 0 "[ . 1 . 2]" 1
1835 1 77 LEU QD 1 81 GLU HB2 . . 4.330 2.972 2.868 3.106 . 0 0 "[ . 1 . 2]" 1
1836 1 77 LEU QD 1 81 GLU HB3 . . 3.510 2.211 1.953 2.436 . 0 0 "[ . 1 . 2]" 1
1837 1 77 LEU QD 1 81 GLU QG . . 5.500 3.193 2.758 3.619 . 0 0 "[ . 1 . 2]" 1
1838 1 77 LEU QD 1 82 THR H . . 4.460 3.281 3.128 3.414 . 0 0 "[ . 1 . 2]" 1
1839 1 77 LEU QD 1 82 THR HA . . 4.440 2.375 2.187 2.575 . 0 0 "[ . 1 . 2]" 1
1840 1 77 LEU QD 1 82 THR HB . . 5.500 4.194 4.046 4.358 . 0 0 "[ . 1 . 2]" 1
1841 1 77 LEU QD 1 82 THR MG . . 3.980 1.986 1.863 2.230 . 0 0 "[ . 1 . 2]" 1
1842 1 77 LEU QD 1 85 PHE H . . 5.500 4.333 4.135 4.516 . 0 0 "[ . 1 . 2]" 1
1843 1 77 LEU QD 1 85 PHE HB2 . . 5.500 3.349 3.108 3.556 . 0 0 "[ . 1 . 2]" 1
1844 1 77 LEU QD 1 85 PHE HB3 . . 5.500 3.712 3.350 4.041 . 0 0 "[ . 1 . 2]" 1
1845 1 77 LEU HG 1 81 GLU QG . . 5.500 5.729 5.270 6.115 0.615 19 6 "[ * -* ** . +2]" 1
1846 1 77 LEU HG 1 82 THR HA . . 5.500 4.885 4.715 4.959 . 0 0 "[ . 1 . 2]" 1
1847 1 78 THR H 1 78 THR HB . . 3.940 2.674 2.632 2.896 . 0 0 "[ . 1 . 2]" 1
1848 1 78 THR H 1 78 THR MG . . 2.980 2.157 2.097 2.201 . 0 0 "[ . 1 . 2]" 1
1849 1 78 THR H 1 79 ALA H . . 4.630 4.515 4.465 4.541 . 0 0 "[ . 1 . 2]" 1
1850 1 78 THR H 1 80 SER H . . 4.440 4.209 4.038 4.275 . 0 0 "[ . 1 . 2]" 1
1851 1 78 THR H 1 80 SER HB3 . . 5.500 5.399 5.118 5.507 0.007 14 0 "[ . 1 . 2]" 1
1852 1 78 THR H 1 81 GLU H . . 3.490 3.469 3.277 3.546 0.056 12 0 "[ . 1 . 2]" 1
1853 1 78 THR H 1 81 GLU HA . . 5.190 4.861 4.701 5.041 . 0 0 "[ . 1 . 2]" 1
1854 1 78 THR H 1 81 GLU HB2 . . 3.380 2.093 1.862 2.270 . 0 0 "[ . 1 . 2]" 1
1855 1 78 THR H 1 81 GLU HB3 . . 4.060 3.513 3.381 3.706 . 0 0 "[ . 1 . 2]" 1
1856 1 78 THR H 1 81 GLU QG . . 3.990 2.550 2.103 3.034 . 0 0 "[ . 1 . 2]" 1
1857 1 78 THR H 1 82 THR H . . 3.810 3.819 3.277 3.936 0.126 5 0 "[ . 1 . 2]" 1
1858 1 78 THR H 1 82 THR MG . . 5.500 5.113 4.922 5.181 . 0 0 "[ . 1 . 2]" 1
1859 1 78 THR HA 1 78 THR MG . . 3.600 3.191 3.190 3.191 . 0 0 "[ . 1 . 2]" 1
1860 1 78 THR HA 1 79 ALA H . . 3.040 2.614 2.580 2.652 . 0 0 "[ . 1 . 2]" 1
1861 1 78 THR HA 1 80 SER H . . 4.420 4.073 4.060 4.092 . 0 0 "[ . 1 . 2]" 1
1862 1 78 THR HA 1 81 GLU QG . . 5.500 4.850 4.567 5.156 . 0 0 "[ . 1 . 2]" 1
1863 1 78 THR HB 1 79 ALA H . . 3.780 3.552 3.505 3.592 . 0 0 "[ . 1 . 2]" 1
1864 1 78 THR HB 1 81 GLU H . . 4.980 4.618 4.548 4.841 . 0 0 "[ . 1 . 2]" 1
1865 1 78 THR MG 1 79 ALA H . . 3.970 3.021 2.961 3.068 . 0 0 "[ . 1 . 2]" 1
1866 1 78 THR MG 1 80 SER H . . 4.030 1.819 1.810 1.828 . 0 0 "[ . 1 . 2]" 1
1867 1 78 THR MG 1 81 GLU H . . 3.860 1.950 1.899 2.215 . 0 0 "[ . 1 . 2]" 1
1868 1 78 THR MG 1 81 GLU HB2 . . 5.500 2.361 2.173 2.568 . 0 0 "[ . 1 . 2]" 1
1869 1 78 THR MG 1 81 GLU QG . . 4.070 1.885 1.853 1.968 . 0 0 "[ . 1 . 2]" 1
1870 1 78 THR MG 1 82 THR H . . 4.500 3.640 3.604 3.678 . 0 0 "[ . 1 . 2]" 1
1871 1 79 ALA H 1 79 ALA HA . . 2.850 2.838 2.816 2.859 0.009 8 0 "[ . 1 . 2]" 1
1872 1 79 ALA H 1 80 SER H . . 3.130 2.596 2.567 2.639 . 0 0 "[ . 1 . 2]" 1
1873 1 79 ALA H 1 80 SER HB2 . . 5.500 4.944 4.742 5.214 . 0 0 "[ . 1 . 2]" 1
1874 1 79 ALA H 1 80 SER HB3 . . 5.500 4.773 4.458 5.033 . 0 0 "[ . 1 . 2]" 1
1875 1 79 ALA H 1 81 GLU H . . 5.160 4.049 4.022 4.107 . 0 0 "[ . 1 . 2]" 1
1876 1 79 ALA MB 1 80 SER H . . 3.370 3.163 3.108 3.243 . 0 0 "[ . 1 . 2]" 1
1877 1 80 SER H 1 80 SER HB3 . . 3.130 2.529 2.353 2.678 . 0 0 "[ . 1 . 2]" 1
1878 1 80 SER H 1 81 GLU H . . 2.590 2.098 2.005 2.223 . 0 0 "[ . 1 . 2]" 1
1879 1 80 SER H 1 81 GLU HB2 . . 4.380 4.069 3.887 4.198 . 0 0 "[ . 1 . 2]" 1
1880 1 80 SER H 1 81 GLU HB3 . . 5.500 5.533 5.402 5.632 0.132 10 0 "[ . 1 . 2]" 1
1881 1 80 SER H 1 81 GLU QG . . 4.490 3.850 3.779 3.999 . 0 0 "[ . 1 . 2]" 1
1882 1 80 SER H 1 82 THR H . . 4.550 4.268 4.241 4.344 . 0 0 "[ . 1 . 2]" 1
1883 1 80 SER H 1 83 LYS QB . . 5.500 4.874 4.711 5.049 . 0 0 "[ . 1 . 2]" 1
1884 1 80 SER HA 1 83 LYS QB . . 3.730 3.106 3.008 3.481 . 0 0 "[ . 1 . 2]" 1
1885 1 80 SER HA 1 83 LYS QD . . 5.500 4.087 3.159 5.335 . 0 0 "[ . 1 . 2]" 1
1886 1 80 SER HB3 1 81 GLU H . . 4.030 3.419 3.304 3.542 . 0 0 "[ . 1 . 2]" 1
1887 1 80 SER HB3 1 81 GLU QG . . 4.260 3.564 3.372 3.904 . 0 0 "[ . 1 . 2]" 1
1888 1 81 GLU H 1 81 GLU HB2 . . 2.810 2.374 2.294 2.504 . 0 0 "[ . 1 . 2]" 1
1889 1 81 GLU H 1 81 GLU HB3 . . 3.830 3.615 3.559 3.697 . 0 0 "[ . 1 . 2]" 1
1890 1 81 GLU H 1 81 GLU QG . . 3.120 2.890 2.775 3.017 . 0 0 "[ . 1 . 2]" 1
1891 1 81 GLU H 1 82 THR H . . 3.070 2.477 2.406 2.541 . 0 0 "[ . 1 . 2]" 1
1892 1 81 GLU HA 1 81 GLU HB3 . . 2.980 2.560 2.523 2.616 . 0 0 "[ . 1 . 2]" 1
1893 1 81 GLU HA 1 81 GLU QG . . 3.480 2.517 2.235 2.968 . 0 0 "[ . 1 . 2]" 1
1894 1 81 GLU HA 1 84 THR H . . 3.980 3.729 3.665 3.824 . 0 0 "[ . 1 . 2]" 1
1895 1 81 GLU HA 1 84 THR HB . . 3.410 3.326 3.026 3.459 0.049 18 0 "[ . 1 . 2]" 1
1896 1 81 GLU HA 1 84 THR MG . . 5.200 4.467 4.276 4.591 . 0 0 "[ . 1 . 2]" 1
1897 1 81 GLU HB2 1 81 GLU QG . . 2.670 2.224 2.129 2.392 . 0 0 "[ . 1 . 2]" 1
1898 1 81 GLU HB2 1 82 THR H . . 3.470 2.279 2.184 2.333 . 0 0 "[ . 1 . 2]" 1
1899 1 81 GLU HB2 1 82 THR MG . . 5.500 4.382 4.265 4.533 . 0 0 "[ . 1 . 2]" 1
1900 1 81 GLU HB3 1 82 THR H . . 3.580 3.055 2.884 3.141 . 0 0 "[ . 1 . 2]" 1
1901 1 81 GLU HB3 1 82 THR HA . . 4.600 4.083 3.959 4.142 . 0 0 "[ . 1 . 2]" 1
1902 1 81 GLU HB3 1 82 THR MG . . 5.500 4.569 4.446 4.782 . 0 0 "[ . 1 . 2]" 1
1903 1 81 GLU QG 1 82 THR H . . 4.500 4.030 3.948 4.105 . 0 0 "[ . 1 . 2]" 1
1904 1 82 THR H 1 82 THR HB . . 3.470 3.429 3.353 3.479 0.009 5 0 "[ . 1 . 2]" 1
1905 1 82 THR H 1 82 THR MG . . 4.020 3.121 3.024 3.263 . 0 0 "[ . 1 . 2]" 1
1906 1 82 THR H 1 83 LYS H . . 3.280 2.876 2.838 2.920 . 0 0 "[ . 1 . 2]" 1
1907 1 82 THR H 1 84 THR H . . 4.480 4.407 4.323 4.583 0.103 14 0 "[ . 1 . 2]" 1
1908 1 82 THR HA 1 82 THR HB . . 2.990 2.786 2.746 2.843 . 0 0 "[ . 1 . 2]" 1
1909 1 82 THR HA 1 82 THR MG . . 2.790 1.933 1.919 1.950 . 0 0 "[ . 1 . 2]" 1
1910 1 82 THR HA 1 85 PHE HB2 . . 3.900 3.529 3.430 3.703 . 0 0 "[ . 1 . 2]" 1
1911 1 82 THR HA 1 85 PHE HD2 . . 5.500 5.523 5.290 5.600 0.100 8 0 "[ . 1 . 2]" 1
1912 1 82 THR HA 1 86 LEU H . . 4.600 4.051 3.826 4.208 . 0 0 "[ . 1 . 2]" 1
1913 1 82 THR HB 1 83 LYS H . . 2.830 2.881 2.753 2.957 0.127 5 0 "[ . 1 . 2]" 1
1914 1 82 THR HB 1 83 LYS HA . . 4.540 3.806 3.764 3.844 . 0 0 "[ . 1 . 2]" 1
1915 1 82 THR HB 1 83 LYS QB . . 5.230 4.707 4.565 4.787 . 0 0 "[ . 1 . 2]" 1
1916 1 82 THR HB 1 86 LEU H . . 5.180 4.881 4.674 5.066 . 0 0 "[ . 1 . 2]" 1
1917 1 82 THR HB 1 86 LEU HB3 . . 5.460 4.957 4.556 5.200 . 0 0 "[ . 1 . 2]" 1
1918 1 82 THR HB 1 86 LEU QD . . 5.500 4.519 4.154 4.799 . 0 0 "[ . 1 . 2]" 1
1919 1 82 THR MG 1 83 LYS H . . 5.500 4.102 4.081 4.114 . 0 0 "[ . 1 . 2]" 1
1920 1 82 THR MG 1 83 LYS HA . . 5.500 5.065 4.914 5.149 . 0 0 "[ . 1 . 2]" 1
1921 1 82 THR MG 1 86 LEU H . . 5.500 4.806 4.576 4.926 . 0 0 "[ . 1 . 2]" 1
1922 1 83 LYS H 1 83 LYS HA . . 2.860 2.756 2.742 2.785 . 0 0 "[ . 1 . 2]" 1
1923 1 83 LYS H 1 83 LYS QB . . 2.820 2.212 2.131 2.289 . 0 0 "[ . 1 . 2]" 1
1924 1 83 LYS H 1 83 LYS QD . . 5.340 4.178 3.833 4.536 . 0 0 "[ . 1 . 2]" 1
1925 1 83 LYS H 1 83 LYS QG . . 4.300 2.733 2.608 2.956 . 0 0 "[ . 1 . 2]" 1
1926 1 83 LYS HA 1 83 LYS QG . . 2.610 2.232 2.142 2.383 . 0 0 "[ . 1 . 2]" 1
1927 1 83 LYS HA 1 86 LEU H . . 4.200 3.728 3.545 3.843 . 0 0 "[ . 1 . 2]" 1
1928 1 83 LYS HA 1 86 LEU HB3 . . 3.730 2.807 2.727 2.885 . 0 0 "[ . 1 . 2]" 1
1929 1 83 LYS HA 1 86 LEU QD . . 4.580 3.117 2.808 3.356 . 0 0 "[ . 1 . 2]" 1
1930 1 83 LYS HA 1 87 ALA H . . 4.280 4.111 3.957 4.503 0.223 20 0 "[ . 1 . 2]" 1
1931 1 83 LYS QB 1 83 LYS QD . . 3.330 2.156 2.050 2.274 . 0 0 "[ . 1 . 2]" 1
1932 1 83 LYS QB 1 83 LYS QG . . 2.500 2.068 2.020 2.087 . 0 0 "[ . 1 . 2]" 1
1933 1 83 LYS QB 1 84 THR H . . 3.390 2.539 2.427 2.600 . 0 0 "[ . 1 . 2]" 1
1934 1 83 LYS QB 1 84 THR HA . . 4.800 3.777 3.733 3.813 . 0 0 "[ . 1 . 2]" 1
1935 1 83 LYS QB 1 84 THR HB . . 5.340 4.848 4.781 4.892 . 0 0 "[ . 1 . 2]" 1
1936 1 83 LYS QD 1 84 THR H . . 4.510 4.804 4.662 4.977 0.467 6 0 "[ . 1 . 2]" 1
1937 1 83 LYS QE 1 83 LYS QG . . 3.330 2.198 2.092 2.546 . 0 0 "[ . 1 . 2]" 1
1938 1 84 THR H 1 84 THR HB . . 3.220 2.674 2.625 2.739 . 0 0 "[ . 1 . 2]" 1
1939 1 84 THR H 1 85 PHE H . . 3.070 2.913 2.856 2.966 . 0 0 "[ . 1 . 2]" 1
1940 1 84 THR H 1 85 PHE HB2 . . 5.500 5.035 4.968 5.173 . 0 0 "[ . 1 . 2]" 1
1941 1 84 THR HA 1 84 THR MG . . 3.300 2.387 2.367 2.408 . 0 0 "[ . 1 . 2]" 1
1942 1 84 THR HA 1 86 LEU H . . 5.180 4.558 4.291 4.669 . 0 0 "[ . 1 . 2]" 1
1943 1 84 THR HA 1 87 ALA H . . 4.510 3.428 3.324 3.489 . 0 0 "[ . 1 . 2]" 1
1944 1 84 THR HA 1 87 ALA MB . . 2.970 2.530 2.341 2.666 . 0 0 "[ . 1 . 2]" 1
1945 1 84 THR HA 1 88 ALA H . . 4.560 4.732 4.540 4.913 0.353 8 0 "[ . 1 . 2]" 1
1946 1 84 THR HA 1 88 ALA MB . . 5.500 4.342 4.006 4.636 . 0 0 "[ . 1 . 2]" 1
1947 1 84 THR HB 1 85 PHE H . . 3.180 2.225 2.135 2.331 . 0 0 "[ . 1 . 2]" 1
1948 1 84 THR HB 1 85 PHE HB2 . . 4.430 3.963 3.880 4.025 . 0 0 "[ . 1 . 2]" 1
1949 1 84 THR HB 1 86 LEU H . . 5.320 4.875 4.656 4.997 . 0 0 "[ . 1 . 2]" 1
1950 1 84 THR HB 1 87 ALA MB . . 5.500 5.083 4.881 5.214 . 0 0 "[ . 1 . 2]" 1
1951 1 84 THR HB 1 88 ALA MB . . 5.500 4.863 4.583 5.110 . 0 0 "[ . 1 . 2]" 1
1952 1 84 THR MG 1 85 PHE H . . 3.870 3.329 3.256 3.419 . 0 0 "[ . 1 . 2]" 1
1953 1 84 THR MG 1 87 ALA H . . 5.500 4.484 4.282 4.613 . 0 0 "[ . 1 . 2]" 1
1954 1 84 THR MG 1 88 ALA H . . 4.900 4.542 4.211 4.656 . 0 0 "[ . 1 . 2]" 1
1955 1 84 THR MG 1 88 ALA HA . . 5.500 5.062 4.825 5.237 . 0 0 "[ . 1 . 2]" 1
1956 1 84 THR MG 1 88 ALA MB . . 4.150 2.982 2.663 3.247 . 0 0 "[ . 1 . 2]" 1
1957 1 85 PHE H 1 85 PHE HA . . 2.850 2.758 2.745 2.782 . 0 0 "[ . 1 . 2]" 1
1958 1 85 PHE H 1 85 PHE HB2 . . 2.610 2.280 2.251 2.367 . 0 0 "[ . 1 . 2]" 1
1959 1 85 PHE H 1 85 PHE HB3 . . 3.060 2.818 2.708 2.858 . 0 0 "[ . 1 . 2]" 1
1960 1 85 PHE H 1 85 PHE HD1 . . 5.500 4.943 4.820 4.998 . 0 0 "[ . 1 . 2]" 1
1961 1 85 PHE H 1 85 PHE HD2 . . 5.500 4.337 4.246 4.534 . 0 0 "[ . 1 . 2]" 1
1962 1 85 PHE H 1 86 LEU H . . 3.250 2.863 2.777 2.933 . 0 0 "[ . 1 . 2]" 1
1963 1 85 PHE H 1 88 ALA H . . 4.860 4.967 4.774 5.106 0.246 12 0 "[ . 1 . 2]" 1
1964 1 85 PHE H 1 88 ALA MB . . 5.500 4.461 4.263 4.668 . 0 0 "[ . 1 . 2]" 1
1965 1 85 PHE H 1 105 MET ME . . 5.500 4.969 4.773 5.064 . 0 0 "[ . 1 . 2]" 1
1966 1 85 PHE HA 1 85 PHE HD1 . . 3.840 3.630 3.501 3.772 . 0 0 "[ . 1 . 2]" 1
1967 1 85 PHE HA 1 85 PHE HD2 . . 4.160 3.317 3.165 3.462 . 0 0 "[ . 1 . 2]" 1
1968 1 85 PHE HA 1 87 ALA H . . 4.870 4.281 3.818 4.423 . 0 0 "[ . 1 . 2]" 1
1969 1 85 PHE HA 1 88 ALA H . . 3.630 3.598 3.290 3.780 0.150 10 0 "[ . 1 . 2]" 1
1970 1 85 PHE HA 1 88 ALA MB . . 2.760 2.518 2.343 2.681 . 0 0 "[ . 1 . 2]" 1
1971 1 85 PHE HA 1 89 ALA H . . 5.500 4.466 4.226 4.854 . 0 0 "[ . 1 . 2]" 1
1972 1 85 PHE HA 1 89 ALA MB . . 5.500 4.291 3.983 4.729 . 0 0 "[ . 1 . 2]" 1
1973 1 85 PHE HA 1 105 MET ME . . 3.420 2.682 2.486 2.748 . 0 0 "[ . 1 . 2]" 1
1974 1 85 PHE HB2 1 85 PHE HD2 . . 3.470 2.336 2.303 2.371 . 0 0 "[ . 1 . 2]" 1
1975 1 85 PHE HB2 1 86 LEU H . . 3.880 3.638 3.575 3.755 . 0 0 "[ . 1 . 2]" 1
1976 1 85 PHE HB2 1 87 ALA H . . 5.500 5.541 5.284 5.663 0.163 13 0 "[ . 1 . 2]" 1
1977 1 85 PHE HB2 1 88 ALA MB . . 5.360 4.815 4.601 4.982 . 0 0 "[ . 1 . 2]" 1
1978 1 85 PHE HB2 1 105 MET ME . . 4.990 4.169 3.870 4.335 . 0 0 "[ . 1 . 2]" 1
1979 1 85 PHE HB3 1 85 PHE HD1 . . 3.700 2.529 2.467 2.603 . 0 0 "[ . 1 . 2]" 1
1980 1 85 PHE HB3 1 86 LEU H . . 2.910 2.462 2.359 2.699 . 0 0 "[ . 1 . 2]" 1
1981 1 85 PHE HB3 1 86 LEU HB3 . . 5.000 4.690 4.455 4.977 . 0 0 "[ . 1 . 2]" 1
1982 1 85 PHE HB3 1 87 ALA H . . 4.980 4.807 4.639 4.989 0.009 13 0 "[ . 1 . 2]" 1
1983 1 85 PHE HB3 1 88 ALA MB . . 5.500 5.006 4.846 5.196 . 0 0 "[ . 1 . 2]" 1
1984 1 85 PHE HB3 1 97 ILE MD . . 5.450 4.559 4.039 4.914 . 0 0 "[ . 1 . 2]" 1
1985 1 85 PHE HB3 1 105 MET ME . . 5.040 4.368 4.153 4.460 . 0 0 "[ . 1 . 2]" 1
1986 1 85 PHE HD1 1 86 LEU H . . 5.500 3.703 3.495 3.980 . 0 0 "[ . 1 . 2]" 1
1987 1 85 PHE HD1 1 88 ALA MB . . 4.830 4.810 4.561 5.123 0.293 20 0 "[ . 1 . 2]" 1
1988 1 85 PHE HD1 1 89 ALA MB . . 3.700 3.052 2.805 3.325 . 0 0 "[ . 1 . 2]" 1
1989 1 85 PHE HD1 1 90 ASP H . . 5.500 4.928 4.469 5.185 . 0 0 "[ . 1 . 2]" 1
1990 1 85 PHE HD1 1 97 ILE MD . . 3.500 2.644 2.015 3.166 . 0 0 "[ . 1 . 2]" 1
1991 1 85 PHE HD1 1 105 MET ME . . 3.760 3.425 3.134 3.747 . 0 0 "[ . 1 . 2]" 1
1992 1 86 LEU H 1 86 LEU HB2 . . 2.860 2.593 2.409 2.742 . 0 0 "[ . 1 . 2]" 1
1993 1 86 LEU H 1 86 LEU HB3 . . 2.830 2.430 2.291 2.606 . 0 0 "[ . 1 . 2]" 1
1994 1 86 LEU H 1 86 LEU HG . . 5.080 4.424 4.333 4.527 . 0 0 "[ . 1 . 2]" 1
1995 1 86 LEU H 1 87 ALA H . . 3.160 2.606 2.494 2.645 . 0 0 "[ . 1 . 2]" 1
1996 1 86 LEU H 1 88 ALA H . . 4.990 3.914 3.844 4.020 . 0 0 "[ . 1 . 2]" 1
1997 1 86 LEU H 1 88 ALA MB . . 5.500 4.719 4.605 4.980 . 0 0 "[ . 1 . 2]" 1
1998 1 86 LEU H 1 89 ALA H . . 5.500 4.869 4.719 4.968 . 0 0 "[ . 1 . 2]" 1
1999 1 86 LEU H 1 89 ALA MB . . 5.500 4.974 4.689 5.163 . 0 0 "[ . 1 . 2]" 1
2000 1 86 LEU H 1 97 ILE MD . . 5.500 4.455 4.248 4.654 . 0 0 "[ . 1 . 2]" 1
2001 1 86 LEU HA 1 86 LEU HG . . 3.980 2.999 2.806 3.153 . 0 0 "[ . 1 . 2]" 1
2002 1 86 LEU HA 1 89 ALA H . . 3.820 3.407 3.194 3.557 . 0 0 "[ . 1 . 2]" 1
2003 1 86 LEU HA 1 89 ALA MB . . 3.870 3.356 3.007 3.620 . 0 0 "[ . 1 . 2]" 1
2004 1 86 LEU HA 1 90 ASP H . . 4.050 2.924 2.579 3.132 . 0 0 "[ . 1 . 2]" 1
2005 1 86 LEU HA 1 90 ASP QB . . 5.340 2.920 2.052 3.365 . 0 0 "[ . 1 . 2]" 1
2006 1 86 LEU HA 1 97 ILE MD . . 2.480 2.295 1.952 2.540 0.060 18 0 "[ . 1 . 2]" 1
2007 1 86 LEU HA 1 105 MET ME . . 5.500 4.792 4.447 4.959 . 0 0 "[ . 1 . 2]" 1
2008 1 86 LEU HB2 1 86 LEU QD . . 3.240 2.051 1.982 2.143 . 0 0 "[ . 1 . 2]" 1
2009 1 86 LEU HB2 1 87 ALA H . . 3.960 4.011 3.886 4.121 0.161 20 0 "[ . 1 . 2]" 1
2010 1 86 LEU HB2 1 90 ASP H . . 5.500 5.141 4.669 5.415 . 0 0 "[ . 1 . 2]" 1
2011 1 86 LEU HB3 1 86 LEU QD . . 3.040 2.082 1.921 2.263 . 0 0 "[ . 1 . 2]" 1
2012 1 86 LEU HB3 1 87 ALA H . . 3.100 2.800 2.692 3.175 0.075 20 0 "[ . 1 . 2]" 1
2013 1 86 LEU HB3 1 87 ALA HA . . 4.550 4.451 4.312 4.578 0.028 15 0 "[ . 1 . 2]" 1
2014 1 86 LEU HB3 1 88 ALA H . . 5.050 4.766 4.684 5.091 0.041 20 0 "[ . 1 . 2]" 1
2015 1 86 LEU HB3 1 89 ALA H . . 5.500 5.564 5.410 5.679 0.179 8 0 "[ . 1 . 2]" 1
2016 1 86 LEU HB3 1 90 ASP H . . 5.500 5.349 5.022 5.519 0.019 9 0 "[ . 1 . 2]" 1
2017 1 86 LEU HB3 1 90 ASP HB2 . . 5.500 5.078 4.172 5.579 0.079 9 0 "[ . 1 . 2]" 1
2018 1 86 LEU HB3 1 90 ASP HB3 . . 5.500 4.999 3.955 5.833 0.333 16 0 "[ . 1 . 2]" 1
2019 1 86 LEU QD 1 87 ALA HA . . 4.160 4.170 3.813 4.514 0.354 8 0 "[ . 1 . 2]" 1
2020 1 86 LEU QD 1 90 ASP HA . . 5.090 4.041 3.887 4.396 . 0 0 "[ . 1 . 2]" 1
2021 1 86 LEU QD 1 90 ASP HB2 . . 3.360 1.979 1.807 2.473 . 0 0 "[ . 1 . 2]" 1
2022 1 86 LEU QD 1 90 ASP QB . . 2.810 1.869 1.726 2.395 . 0 0 "[ . 1 . 2]" 1
2023 1 86 LEU QD 1 90 ASP HB3 . . 3.360 2.473 1.795 3.204 . 0 0 "[ . 1 . 2]" 1
2024 1 86 LEU QD 1 91 HIS H . . 5.500 4.118 3.574 5.098 . 0 0 "[ . 1 . 2]" 1
2025 1 86 LEU QD 1 93 GLY H . . 5.500 4.217 3.681 4.522 . 0 0 "[ . 1 . 2]" 1
2026 1 86 LEU QD 1 95 GLY H . . 4.330 2.512 2.140 2.741 . 0 0 "[ . 1 . 2]" 1
2027 1 86 LEU QD 1 95 GLY HA2 . . 3.010 1.727 1.651 1.813 . 0 0 "[ . 1 . 2]" 1
2028 1 86 LEU QD 1 95 GLY HA3 . . 3.720 3.011 2.867 3.149 . 0 0 "[ . 1 . 2]" 1
2029 1 86 LEU HG 1 87 ALA HA . . 5.260 3.773 3.413 4.239 . 0 0 "[ . 1 . 2]" 1
2030 1 86 LEU HG 1 89 ALA H . . 5.500 5.085 4.663 5.521 0.021 8 0 "[ . 1 . 2]" 1
2031 1 86 LEU HG 1 90 ASP H . . 5.500 4.045 3.601 4.490 . 0 0 "[ . 1 . 2]" 1
2032 1 86 LEU HG 1 90 ASP HB2 . . 3.510 3.064 2.070 3.611 0.101 13 0 "[ . 1 . 2]" 1
2033 1 86 LEU HG 1 90 ASP QB . . 2.950 2.348 1.895 2.762 . 0 0 "[ . 1 . 2]" 1
2034 1 86 LEU HG 1 90 ASP HB3 . . 3.510 2.662 1.950 3.523 0.013 7 0 "[ . 1 . 2]" 1
2035 1 86 LEU HG 1 91 HIS H . . 5.290 3.947 2.913 5.061 . 0 0 "[ . 1 . 2]" 1
2036 1 86 LEU HG 1 92 ASP H . . 5.500 5.196 4.327 5.660 0.160 14 0 "[ . 1 . 2]" 1
2037 1 86 LEU HG 1 93 GLY H . . 5.500 4.792 4.413 5.321 . 0 0 "[ . 1 . 2]" 1
2038 1 86 LEU HG 1 95 GLY HA2 . . 4.860 3.873 3.724 4.061 . 0 0 "[ . 1 . 2]" 1
2039 1 86 LEU HG 1 95 GLY HA3 . . 5.450 5.589 5.473 5.764 0.314 17 0 "[ . 1 . 2]" 1
2040 1 87 ALA H 1 87 ALA HA . . 2.900 2.893 2.863 2.924 0.024 20 0 "[ . 1 . 2]" 1
2041 1 87 ALA H 1 87 ALA MB . . 2.940 2.230 2.175 2.271 . 0 0 "[ . 1 . 2]" 1
2042 1 87 ALA H 1 88 ALA H . . 3.190 2.510 2.191 2.613 . 0 0 "[ . 1 . 2]" 1
2043 1 87 ALA H 1 88 ALA HA . . 5.190 5.041 4.877 5.145 . 0 0 "[ . 1 . 2]" 1
2044 1 87 ALA H 1 88 ALA MB . . 4.500 4.017 3.875 4.144 . 0 0 "[ . 1 . 2]" 1
2045 1 87 ALA HA 1 88 ALA H . . 3.570 3.251 3.196 3.403 . 0 0 "[ . 1 . 2]" 1
2046 1 87 ALA HA 1 90 ASP H . . 4.920 4.380 3.761 4.608 . 0 0 "[ . 1 . 2]" 1
2047 1 87 ALA HA 1 91 HIS HA . . 5.110 3.360 2.419 3.775 . 0 0 "[ . 1 . 2]" 1
2048 1 87 ALA HA 1 91 HIS QB . . 4.760 4.285 3.466 4.712 . 0 0 "[ . 1 . 2]" 1
2049 1 87 ALA HA 1 93 GLY H . . 5.500 5.579 5.501 5.768 0.268 9 0 "[ . 1 . 2]" 1
2050 1 87 ALA MB 1 88 ALA H . . 3.560 3.317 3.085 3.396 . 0 0 "[ . 1 . 2]" 1
2051 1 88 ALA H 1 88 ALA MB . . 2.400 2.380 2.250 2.428 0.028 17 0 "[ . 1 . 2]" 1
2052 1 88 ALA H 1 89 ALA H . . 2.700 1.932 1.884 2.123 . 0 0 "[ . 1 . 2]" 1
2053 1 88 ALA H 1 89 ALA HA . . 5.150 4.693 4.654 4.859 . 0 0 "[ . 1 . 2]" 1
2054 1 88 ALA H 1 89 ALA MB . . 5.500 3.706 3.637 3.909 . 0 0 "[ . 1 . 2]" 1
2055 1 88 ALA H 1 90 ASP H . . 4.450 3.626 3.009 3.860 . 0 0 "[ . 1 . 2]" 1
2056 1 88 ALA H 1 91 HIS HA . . 5.500 5.734 5.124 6.020 0.520 9 1 "[ . +1 . 2]" 1
2057 1 88 ALA H 1 105 MET ME . . 5.270 3.697 3.488 3.934 . 0 0 "[ . 1 . 2]" 1
2058 1 88 ALA HA 1 88 ALA MB . . 2.420 2.122 2.105 2.127 . 0 0 "[ . 1 . 2]" 1
2059 1 88 ALA HA 1 90 ASP H . . 5.500 5.252 4.432 5.452 . 0 0 "[ . 1 . 2]" 1
2060 1 88 ALA HA 1 105 MET ME . . 5.380 4.026 3.874 4.309 . 0 0 "[ . 1 . 2]" 1
2061 1 88 ALA MB 1 90 ASP H . . 5.500 4.857 4.447 4.958 . 0 0 "[ . 1 . 2]" 1
2062 1 89 ALA H 1 89 ALA MB . . 2.660 2.352 2.310 2.454 . 0 0 "[ . 1 . 2]" 1
2063 1 89 ALA H 1 90 ASP H . . 2.480 2.167 1.765 2.272 . 0 0 "[ . 1 . 2]" 1
2064 1 89 ALA H 1 90 ASP HA . . 5.500 4.781 4.542 4.850 . 0 0 "[ . 1 . 2]" 1
2065 1 89 ALA H 1 90 ASP QB . . 4.420 3.876 3.695 4.006 . 0 0 "[ . 1 . 2]" 1
2066 1 89 ALA H 1 91 HIS HA . . 5.500 5.539 5.027 5.735 0.235 9 0 "[ . 1 . 2]" 1
2067 1 89 ALA H 1 97 ILE MD . . 5.110 3.466 3.138 3.842 . 0 0 "[ . 1 . 2]" 1
2068 1 89 ALA H 1 97 ILE QG . . 5.500 5.422 5.013 5.850 0.350 16 0 "[ . 1 . 2]" 1
2069 1 89 ALA H 1 105 MET ME . . 3.670 3.213 3.100 3.365 . 0 0 "[ . 1 . 2]" 1
2070 1 89 ALA HA 1 91 HIS H . . 5.500 5.238 3.871 5.674 0.174 17 0 "[ . 1 . 2]" 1
2071 1 89 ALA HA 1 97 ILE MD . . 5.500 4.049 3.754 4.371 . 0 0 "[ . 1 . 2]" 1
2072 1 89 ALA HA 1 105 MET HA . . 4.910 3.986 3.704 4.529 . 0 0 "[ . 1 . 2]" 1
2073 1 89 ALA HA 1 105 MET HB2 . . 3.930 2.902 2.639 3.465 . 0 0 "[ . 1 . 2]" 1
2074 1 89 ALA HA 1 105 MET HB3 . . 4.200 2.050 1.934 2.534 . 0 0 "[ . 1 . 2]" 1
2075 1 89 ALA HA 1 105 MET HG2 . . 4.600 3.610 3.376 3.954 . 0 0 "[ . 1 . 2]" 1
2076 1 89 ALA MB 1 90 ASP H . . 3.510 2.540 2.409 3.183 . 0 0 "[ . 1 . 2]" 1
2077 1 89 ALA MB 1 91 HIS H . . 5.500 4.840 4.297 4.934 . 0 0 "[ . 1 . 2]" 1
2078 1 89 ALA MB 1 97 ILE HA . . 5.500 4.005 3.576 4.432 . 0 0 "[ . 1 . 2]" 1
2079 1 89 ALA MB 1 97 ILE MD . . 2.540 1.796 1.679 2.029 . 0 0 "[ . 1 . 2]" 1
2080 1 89 ALA MB 1 98 GLY H . . 5.270 4.379 3.893 4.751 . 0 0 "[ . 1 . 2]" 1
2081 1 89 ALA MB 1 101 GLU HA . . 5.500 4.871 4.481 5.064 . 0 0 "[ . 1 . 2]" 1
2082 1 89 ALA MB 1 102 PHE H . . 5.500 4.577 4.202 4.843 . 0 0 "[ . 1 . 2]" 1
2083 1 89 ALA MB 1 102 PHE HA . . 5.500 2.634 2.230 2.807 . 0 0 "[ . 1 . 2]" 1
2084 1 89 ALA MB 1 105 MET HA . . 5.500 4.465 4.263 4.729 . 0 0 "[ . 1 . 2]" 1
2085 1 89 ALA MB 1 105 MET HB2 . . 3.480 2.928 2.712 3.170 . 0 0 "[ . 1 . 2]" 1
2086 1 89 ALA MB 1 105 MET HB3 . . 3.830 2.164 1.936 2.469 . 0 0 "[ . 1 . 2]" 1
2087 1 89 ALA MB 1 105 MET ME . . 3.460 2.060 1.881 2.453 . 0 0 "[ . 1 . 2]" 1
2088 1 89 ALA MB 1 105 MET HG2 . . 3.040 1.946 1.907 2.037 . 0 0 "[ . 1 . 2]" 1
2089 1 90 ASP H 1 90 ASP HB2 . . 3.030 2.521 2.077 3.332 0.302 14 0 "[ . 1 . 2]" 1
2090 1 90 ASP H 1 90 ASP QB . . 2.640 2.224 2.051 2.553 . 0 0 "[ . 1 . 2]" 1
2091 1 90 ASP H 1 90 ASP HB3 . . 3.030 2.822 2.244 3.515 0.485 18 0 "[ . 1 . 2]" 1
2092 1 90 ASP H 1 91 HIS QB . . 5.500 4.332 3.882 4.446 . 0 0 "[ . 1 . 2]" 1
2093 1 90 ASP H 1 97 ILE MD . . 3.630 2.516 2.035 3.334 . 0 0 "[ . 1 . 2]" 1
2094 1 90 ASP H 1 97 ILE MG . . 5.500 4.709 4.294 5.706 0.206 18 0 "[ . 1 . 2]" 1
2095 1 90 ASP H 1 105 MET ME . . 5.380 4.564 4.426 4.701 . 0 0 "[ . 1 . 2]" 1
2096 1 90 ASP HA 1 91 HIS HA . . 5.400 5.277 4.825 5.360 . 0 0 "[ . 1 . 2]" 1
2097 1 90 ASP QB 1 91 HIS H . . 3.580 2.361 2.009 3.807 0.227 20 0 "[ . 1 . 2]" 1
2098 1 90 ASP QB 1 92 ASP H . . 5.260 3.014 2.162 4.384 . 0 0 "[ . 1 . 2]" 1
2099 1 90 ASP QB 1 93 GLY QA . . 5.180 4.650 3.828 5.123 . 0 0 "[ . 1 . 2]" 1
2100 1 90 ASP QB 1 95 GLY H . . 4.060 3.720 3.085 3.972 . 0 0 "[ . 1 . 2]" 1
2101 1 90 ASP QB 1 96 LYS H . . 4.650 3.977 3.355 4.498 . 0 0 "[ . 1 . 2]" 1
2102 1 90 ASP QB 1 97 ILE H . . 5.340 4.945 4.053 5.741 0.401 7 0 "[ . 1 . 2]" 1
2103 1 90 ASP HB2 1 91 HIS H . . 4.280 3.371 2.313 4.606 0.326 20 0 "[ . 1 . 2]" 1
2104 1 90 ASP HB2 1 93 GLY H . . 4.480 4.733 4.219 5.132 0.652 14 3 "[ . 1 +. - *]" 1
2105 1 90 ASP HB2 1 95 GLY H . . 4.750 4.339 4.029 4.744 . 0 0 "[ . 1 . 2]" 1
2106 1 90 ASP HB2 1 96 LYS H . . 5.500 4.341 3.513 5.154 . 0 0 "[ . 1 . 2]" 1
2107 1 90 ASP HB3 1 91 HIS H . . 4.280 2.487 2.020 4.215 . 0 0 "[ . 1 . 2]" 1
2108 1 90 ASP HB3 1 93 GLY H . . 4.480 3.665 2.650 4.685 0.205 14 0 "[ . 1 . 2]" 1
2109 1 90 ASP HB3 1 95 GLY H . . 4.750 4.123 3.132 4.530 . 0 0 "[ . 1 . 2]" 1
2110 1 90 ASP HB3 1 96 LYS H . . 5.500 4.839 4.029 5.529 0.029 13 0 "[ . 1 . 2]" 1
2111 1 91 HIS H 1 91 HIS HA . . 2.910 2.347 2.274 2.749 . 0 0 "[ . 1 . 2]" 1
2112 1 91 HIS H 1 91 HIS QB . . 3.240 2.789 2.085 2.995 . 0 0 "[ . 1 . 2]" 1
2113 1 91 HIS H 1 93 GLY H . . 3.890 3.844 3.521 4.506 0.616 14 3 "[ . 1 +. * -]" 1
2114 1 91 HIS HA 1 92 ASP H . . 3.520 3.158 2.995 3.404 . 0 0 "[ . 1 . 2]" 1
2115 1 91 HIS QB 1 92 ASP QB . . 4.700 4.701 4.226 4.992 0.292 5 0 "[ . 1 . 2]" 1
2116 1 91 HIS QB 1 93 GLY H . . 4.670 4.980 4.724 5.092 0.422 8 0 "[ . 1 . 2]" 1
2117 1 92 ASP H 1 92 ASP HB2 . . 4.120 3.236 2.702 3.796 . 0 0 "[ . 1 . 2]" 1
2118 1 92 ASP H 1 92 ASP QB . . 3.440 2.843 2.642 3.087 . 0 0 "[ . 1 . 2]" 1
2119 1 92 ASP H 1 92 ASP HB3 . . 4.120 3.405 2.724 3.725 . 0 0 "[ . 1 . 2]" 1
2120 1 92 ASP H 1 93 GLY H . . 2.760 2.102 1.793 2.655 . 0 0 "[ . 1 . 2]" 1
2121 1 92 ASP H 1 93 GLY HA2 . . 5.500 4.404 4.079 4.953 . 0 0 "[ . 1 . 2]" 1
2122 1 92 ASP H 1 93 GLY QA . . 4.720 4.076 3.795 4.533 . 0 0 "[ . 1 . 2]" 1
2123 1 92 ASP H 1 93 GLY HA3 . . 5.500 4.809 4.516 5.254 . 0 0 "[ . 1 . 2]" 1
2124 1 92 ASP H 1 95 GLY H . . 5.500 5.069 4.703 5.902 0.402 20 0 "[ . 1 . 2]" 1
2125 1 92 ASP HA 1 95 GLY H . . 5.500 6.866 6.607 7.269 1.769 20 20 [****-**************+] 1
2126 1 92 ASP QB 1 93 GLY H . . 3.990 3.376 3.063 3.760 . 0 0 "[ . 1 . 2]" 1
2127 1 92 ASP HB2 1 93 GLY H . . 4.670 3.565 3.142 4.223 . 0 0 "[ . 1 . 2]" 1
2128 1 92 ASP HB3 1 93 GLY H . . 4.670 4.291 4.178 4.433 . 0 0 "[ . 1 . 2]" 1
2129 1 93 GLY H 1 93 GLY QA . . 2.520 2.232 2.212 2.262 . 0 0 "[ . 1 . 2]" 1
2130 1 93 GLY H 1 94 ASP H . . 3.550 2.462 2.273 2.630 . 0 0 "[ . 1 . 2]" 1
2131 1 93 GLY H 1 94 ASP HA . . 5.320 5.096 4.952 5.183 . 0 0 "[ . 1 . 2]" 1
2132 1 93 GLY H 1 95 GLY H . . 3.770 3.928 3.669 4.179 0.409 8 0 "[ . 1 . 2]" 1
2133 1 93 GLY QA 1 94 ASP QB . . 5.180 4.756 4.565 4.837 . 0 0 "[ . 1 . 2]" 1
2134 1 93 GLY QA 1 95 GLY H . . 3.950 3.672 3.369 3.918 . 0 0 "[ . 1 . 2]" 1
2135 1 94 ASP H 1 94 ASP HB2 . . 3.760 2.787 2.599 3.045 . 0 0 "[ . 1 . 2]" 1
2136 1 94 ASP H 1 94 ASP QB . . 2.910 2.702 2.544 2.922 0.012 1 0 "[ . 1 . 2]" 1
2137 1 94 ASP H 1 94 ASP HB3 . . 3.760 3.663 3.588 3.793 0.033 9 0 "[ . 1 . 2]" 1
2138 1 94 ASP H 1 95 GLY H . . 3.050 2.209 1.793 2.555 . 0 0 "[ . 1 . 2]" 1
2139 1 94 ASP H 1 95 GLY HA2 . . 4.280 4.480 4.066 4.781 0.501 17 1 "[ . 1 . + 2]" 1
2140 1 94 ASP H 1 95 GLY HA3 . . 4.890 4.862 4.493 5.086 0.196 17 0 "[ . 1 . 2]" 1
2141 1 94 ASP H 1 96 LYS H . . 3.160 3.877 3.525 4.261 1.101 17 17 "[ ***.*-* *******+***]" 1
2142 1 94 ASP H 1 96 LYS QD . . 5.500 4.973 4.708 5.327 . 0 0 "[ . 1 . 2]" 1
2143 1 94 ASP H 1 96 LYS QG . . 5.500 4.898 4.458 5.308 . 0 0 "[ . 1 . 2]" 1
2144 1 94 ASP HA 1 94 ASP QB . . 2.470 2.264 2.198 2.363 . 0 0 "[ . 1 . 2]" 1
2145 1 94 ASP HA 1 95 GLY H . . 3.340 3.481 3.395 3.544 0.204 17 0 "[ . 1 . 2]" 1
2146 1 94 ASP HA 1 95 GLY HA3 . . 5.160 4.533 4.505 4.558 . 0 0 "[ . 1 . 2]" 1
2147 1 94 ASP HA 1 96 LYS H . . 5.050 4.502 4.138 4.700 . 0 0 "[ . 1 . 2]" 1
2148 1 94 ASP QB 1 95 GLY H . . 4.030 2.864 2.533 3.221 . 0 0 "[ . 1 . 2]" 1
2149 1 94 ASP QB 1 95 GLY HA3 . . 5.340 4.390 4.255 4.612 . 0 0 "[ . 1 . 2]" 1
2150 1 94 ASP QB 1 96 LYS H . . 3.830 2.451 2.210 2.664 . 0 0 "[ . 1 . 2]" 1
2151 1 94 ASP QB 1 96 LYS QD . . 3.970 2.106 1.899 2.383 . 0 0 "[ . 1 . 2]" 1
2152 1 94 ASP QB 1 96 LYS QE . . 3.820 3.792 3.423 4.120 0.300 13 0 "[ . 1 . 2]" 1
2153 1 94 ASP QB 1 96 LYS QG . . 4.120 2.310 1.966 2.576 . 0 0 "[ . 1 . 2]" 1
2154 1 94 ASP HB2 1 95 GLY H . . 4.610 2.928 2.570 3.316 . 0 0 "[ . 1 . 2]" 1
2155 1 94 ASP HB3 1 95 GLY H . . 4.610 4.083 3.830 4.370 . 0 0 "[ . 1 . 2]" 1
2156 1 95 GLY H 1 95 GLY HA2 . . 2.400 2.340 2.296 2.382 . 0 0 "[ . 1 . 2]" 1
2157 1 95 GLY H 1 96 LYS H . . 2.990 2.418 2.199 2.675 . 0 0 "[ . 1 . 2]" 1
2158 1 95 GLY H 1 96 LYS HA . . 5.360 5.006 4.850 5.239 . 0 0 "[ . 1 . 2]" 1
2159 1 95 GLY H 1 96 LYS QG . . 4.750 4.258 4.016 4.467 . 0 0 "[ . 1 . 2]" 1
2160 1 95 GLY HA2 1 96 LYS H . . 3.110 3.154 3.018 3.353 0.243 12 0 "[ . 1 . 2]" 1
2161 1 95 GLY HA3 1 96 LYS QG . . 5.330 4.909 4.717 5.032 . 0 0 "[ . 1 . 2]" 1
2162 1 96 LYS H 1 96 LYS HB2 . . 3.950 3.884 3.767 3.958 0.008 20 0 "[ . 1 . 2]" 1
2163 1 96 LYS H 1 96 LYS HB3 . . 3.810 3.318 2.948 3.482 . 0 0 "[ . 1 . 2]" 1
2164 1 96 LYS H 1 96 LYS QD . . 4.700 3.138 2.785 3.386 . 0 0 "[ . 1 . 2]" 1
2165 1 96 LYS H 1 96 LYS HE2 . . 5.500 5.471 5.203 5.617 0.117 8 0 "[ . 1 . 2]" 1
2166 1 96 LYS H 1 96 LYS HE3 . . 5.500 5.421 5.164 5.583 0.083 15 0 "[ . 1 . 2]" 1
2167 1 96 LYS H 1 96 LYS QG . . 3.210 2.335 2.117 2.587 . 0 0 "[ . 1 . 2]" 1
2168 1 96 LYS H 1 97 ILE H . . 4.510 4.194 3.954 4.414 . 0 0 "[ . 1 . 2]" 1
2169 1 96 LYS H 1 97 ILE HA . . 4.960 4.655 4.473 4.932 . 0 0 "[ . 1 . 2]" 1
2170 1 96 LYS HA 1 97 ILE MD . . 5.220 4.648 4.260 5.057 . 0 0 "[ . 1 . 2]" 1
2171 1 96 LYS HA 1 97 ILE QG . . 5.120 3.724 3.591 3.914 . 0 0 "[ . 1 . 2]" 1
2172 1 96 LYS HB2 1 96 LYS QD . . 3.390 3.186 2.944 3.327 . 0 0 "[ . 1 . 2]" 1
2173 1 96 LYS HB2 1 97 ILE H . . 3.240 3.291 3.091 3.525 0.285 16 0 "[ . 1 . 2]" 1
2174 1 96 LYS HB2 1 97 ILE HB . . 5.500 5.326 5.153 5.488 . 0 0 "[ . 1 . 2]" 1
2175 1 96 LYS HB3 1 96 LYS QD . . 3.270 2.009 1.938 2.153 . 0 0 "[ . 1 . 2]" 1
2176 1 96 LYS QD 1 96 LYS QG . . 2.400 2.030 2.029 2.032 . 0 0 "[ . 1 . 2]" 1
2177 1 97 ILE H 1 97 ILE HB . . 2.780 2.483 2.363 2.543 . 0 0 "[ . 1 . 2]" 1
2178 1 97 ILE H 1 97 ILE MD . . 3.750 3.546 3.288 3.772 0.022 10 0 "[ . 1 . 2]" 1
2179 1 97 ILE H 1 97 ILE QG . . 3.620 2.296 2.079 2.664 . 0 0 "[ . 1 . 2]" 1
2180 1 97 ILE H 1 98 GLY H . . 4.800 4.607 4.547 4.639 . 0 0 "[ . 1 . 2]" 1
2181 1 97 ILE HA 1 98 GLY H . . 2.950 2.252 2.181 2.302 . 0 0 "[ . 1 . 2]" 1
2182 1 97 ILE HA 1 101 GLU H . . 5.500 5.569 5.426 5.784 0.284 10 0 "[ . 1 . 2]" 1
2183 1 97 ILE HA 1 102 PHE H . . 5.500 5.991 5.788 6.228 0.728 1 9 "[+ - .*** * * . ** 2]" 1
2184 1 97 ILE HB 1 97 ILE MG . . 2.580 2.099 2.091 2.113 . 0 0 "[ . 1 . 2]" 1
2185 1 97 ILE HB 1 98 GLY H . . 4.840 3.921 3.777 4.129 . 0 0 "[ . 1 . 2]" 1
2186 1 97 ILE HB 1 102 PHE HB2 . . 5.500 4.840 4.541 5.045 . 0 0 "[ . 1 . 2]" 1
2187 1 97 ILE MD 1 97 ILE MG . . 2.550 2.015 1.904 2.127 . 0 0 "[ . 1 . 2]" 1
2188 1 97 ILE MD 1 98 GLY H . . 3.990 3.301 3.068 3.415 . 0 0 "[ . 1 . 2]" 1
2189 1 97 ILE MD 1 101 GLU QB . . 5.030 4.111 3.237 4.646 . 0 0 "[ . 1 . 2]" 1
2190 1 97 ILE MD 1 101 GLU QG . . 5.500 2.813 2.347 3.922 . 0 0 "[ . 1 . 2]" 1
2191 1 97 ILE MD 1 105 MET ME . . 5.500 3.793 3.544 4.070 . 0 0 "[ . 1 . 2]" 1
2192 1 97 ILE MD 1 105 MET HG2 . . 5.500 4.406 3.988 4.677 . 0 0 "[ . 1 . 2]" 1
2193 1 97 ILE QG 1 97 ILE MG . . 3.340 2.300 2.190 2.421 . 0 0 "[ . 1 . 2]" 1
2194 1 97 ILE QG 1 98 GLY H . . 5.370 4.433 4.347 4.525 . 0 0 "[ . 1 . 2]" 1
2195 1 97 ILE MG 1 98 GLY H . . 3.350 1.932 1.848 2.179 . 0 0 "[ . 1 . 2]" 1
2196 1 97 ILE MG 1 98 GLY QA . . 5.340 3.329 3.244 3.397 . 0 0 "[ . 1 . 2]" 1
2197 1 97 ILE MG 1 99 ALA H . . 5.500 4.829 4.501 4.927 . 0 0 "[ . 1 . 2]" 1
2198 1 97 ILE MG 1 101 GLU H . . 4.680 4.089 3.911 4.258 . 0 0 "[ . 1 . 2]" 1
2199 1 97 ILE MG 1 101 GLU QG . . 3.920 2.492 2.201 3.052 . 0 0 "[ . 1 . 2]" 1
2200 1 97 ILE MG 1 102 PHE H . . 4.090 3.760 3.530 3.900 . 0 0 "[ . 1 . 2]" 1
2201 1 97 ILE MG 1 102 PHE HA . . 3.830 2.932 2.747 3.100 . 0 0 "[ . 1 . 2]" 1
2202 1 97 ILE MG 1 102 PHE HB2 . . 3.690 2.324 2.045 2.519 . 0 0 "[ . 1 . 2]" 1
2203 1 97 ILE MG 1 102 PHE QD . . 3.330 1.971 1.880 2.155 . 0 0 "[ . 1 . 2]" 1
2204 1 98 GLY H 1 99 ALA H . . 4.560 4.398 4.140 4.514 . 0 0 "[ . 1 . 2]" 1
2205 1 98 GLY H 1 101 GLU H . . 3.740 3.525 3.463 3.648 . 0 0 "[ . 1 . 2]" 1
2206 1 98 GLY H 1 101 GLU QB . . 5.340 3.863 3.291 4.020 . 0 0 "[ . 1 . 2]" 1
2207 1 98 GLY H 1 101 GLU QG . . 3.870 1.846 1.783 1.894 . 0 0 "[ . 1 . 2]" 1
2208 1 98 GLY H 1 102 PHE H . . 4.350 4.175 3.925 4.430 0.080 1 0 "[ . 1 . 2]" 1
2209 1 98 GLY H 1 102 PHE HB2 . . 5.500 3.856 3.557 4.254 . 0 0 "[ . 1 . 2]" 1
2210 1 98 GLY H 1 102 PHE QD . . 5.500 4.993 4.638 5.316 . 0 0 "[ . 1 . 2]" 1
2211 1 98 GLY QA 1 99 ALA HA . . 4.780 3.955 3.937 3.986 . 0 0 "[ . 1 . 2]" 1
2212 1 98 GLY QA 1 99 ALA MB . . 5.340 3.764 3.705 3.797 . 0 0 "[ . 1 . 2]" 1
2213 1 98 GLY QA 1 100 GLU H . . 3.890 2.911 2.821 3.094 . 0 0 "[ . 1 . 2]" 1
2214 1 98 GLY QA 1 101 GLU H . . 4.150 3.525 3.168 3.882 . 0 0 "[ . 1 . 2]" 1
2215 1 98 GLY QA 1 101 GLU QG . . 5.340 2.983 2.229 3.334 . 0 0 "[ . 1 . 2]" 1
2216 1 98 GLY HA2 1 99 ALA H . . 3.070 2.575 2.314 2.949 . 0 0 "[ . 1 . 2]" 1
2217 1 98 GLY HA3 1 99 ALA H . . 3.070 2.572 2.245 2.849 . 0 0 "[ . 1 . 2]" 1
2218 1 99 ALA H 1 99 ALA MB . . 2.400 2.294 2.204 2.415 0.015 4 0 "[ . 1 . 2]" 1
2219 1 99 ALA H 1 101 GLU H . . 4.810 4.077 3.750 4.200 . 0 0 "[ . 1 . 2]" 1
2220 1 99 ALA HA 1 99 ALA MB . . 2.490 2.126 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
2221 1 99 ALA HA 1 100 GLU HA . . 5.200 4.531 4.480 4.642 . 0 0 "[ . 1 . 2]" 1
2222 1 99 ALA HA 1 100 GLU QB . . 5.340 5.058 4.899 5.253 . 0 0 "[ . 1 . 2]" 1
2223 1 99 ALA HA 1 101 GLU H . . 5.130 3.923 3.754 4.171 . 0 0 "[ . 1 . 2]" 1
2224 1 99 ALA HA 1 102 PHE H . . 3.860 3.612 3.191 3.861 0.001 5 0 "[ . 1 . 2]" 1
2225 1 99 ALA HA 1 102 PHE HA . . 5.500 5.499 4.972 5.955 0.455 5 0 "[ . 1 . 2]" 1
2226 1 99 ALA HA 1 102 PHE HB2 . . 3.990 3.464 2.824 4.103 0.113 5 0 "[ . 1 . 2]" 1
2227 1 99 ALA HA 1 102 PHE HB3 . . 4.290 2.985 2.556 3.361 . 0 0 "[ . 1 . 2]" 1
2228 1 99 ALA HA 1 103 GLN H . . 5.050 4.233 3.825 4.538 . 0 0 "[ . 1 . 2]" 1
2229 1 99 ALA MB 1 100 GLU HA . . 4.790 4.122 4.013 4.190 . 0 0 "[ . 1 . 2]" 1
2230 1 99 ALA MB 1 100 GLU QB . . 5.340 4.053 3.775 4.436 . 0 0 "[ . 1 . 2]" 1
2231 1 99 ALA MB 1 102 PHE HB3 . . 5.500 4.454 4.024 4.813 . 0 0 "[ . 1 . 2]" 1
2232 1 100 GLU H 1 100 GLU QB . . 2.670 2.430 2.321 2.541 . 0 0 "[ . 1 . 2]" 1
2233 1 100 GLU H 1 100 GLU QG . . 4.780 3.811 3.056 4.158 . 0 0 "[ . 1 . 2]" 1
2234 1 100 GLU H 1 101 GLU H . . 3.190 1.997 1.880 2.267 . 0 0 "[ . 1 . 2]" 1
2235 1 100 GLU H 1 101 GLU QG . . 3.560 3.385 2.687 3.935 0.375 19 0 "[ . 1 . 2]" 1
2236 1 100 GLU H 1 102 PHE HB2 . . 4.840 4.873 4.751 5.179 0.339 5 0 "[ . 1 . 2]" 1
2237 1 100 GLU HA 1 100 GLU HG2 . . 3.680 3.013 2.165 3.694 0.014 8 0 "[ . 1 . 2]" 1
2238 1 100 GLU HA 1 100 GLU QG . . 2.810 2.444 2.129 3.026 0.216 3 0 "[ . 1 . 2]" 1
2239 1 100 GLU HA 1 100 GLU HG3 . . 3.680 2.824 2.174 3.713 0.033 7 0 "[ . 1 . 2]" 1
2240 1 100 GLU HA 1 103 GLN H . . 5.430 4.923 4.615 5.242 . 0 0 "[ . 1 . 2]" 1
2241 1 101 GLU H 1 101 GLU QG . . 3.850 2.173 1.968 2.401 . 0 0 "[ . 1 . 2]" 1
2242 1 101 GLU H 1 102 PHE H . . 2.960 1.982 1.864 2.238 . 0 0 "[ . 1 . 2]" 1
2243 1 101 GLU H 1 102 PHE HA . . 5.500 4.474 4.403 4.596 . 0 0 "[ . 1 . 2]" 1
2244 1 101 GLU H 1 102 PHE HB2 . . 4.480 4.017 3.882 4.167 . 0 0 "[ . 1 . 2]" 1
2245 1 101 GLU H 1 102 PHE HB3 . . 5.030 4.148 3.963 4.389 . 0 0 "[ . 1 . 2]" 1
2246 1 101 GLU HA 1 101 GLU HB2 . . 2.890 2.451 2.341 2.762 . 0 0 "[ . 1 . 2]" 1
2247 1 101 GLU HA 1 101 GLU HB3 . . 2.890 2.459 2.239 2.569 . 0 0 "[ . 1 . 2]" 1
2248 1 101 GLU HA 1 103 GLN H . . 5.500 5.023 4.764 5.226 . 0 0 "[ . 1 . 2]" 1
2249 1 101 GLU QB 1 105 MET H . . 5.340 5.457 5.294 5.551 0.211 7 0 "[ . 1 . 2]" 1
2250 1 101 GLU HB2 1 102 PHE H . . 5.500 4.323 3.893 4.499 . 0 0 "[ . 1 . 2]" 1
2251 1 101 GLU HB3 1 102 PHE H . . 5.500 4.375 4.206 4.560 . 0 0 "[ . 1 . 2]" 1
2252 1 101 GLU QG 1 102 PHE H . . 3.800 3.043 2.789 3.252 . 0 0 "[ . 1 . 2]" 1
2253 1 101 GLU QG 1 103 GLN H . . 5.500 5.395 5.289 5.518 0.018 10 0 "[ . 1 . 2]" 1
2254 1 102 PHE H 1 102 PHE HA . . 2.940 2.896 2.851 2.923 . 0 0 "[ . 1 . 2]" 1
2255 1 102 PHE H 1 102 PHE HB2 . . 2.860 2.728 2.567 2.862 0.002 17 0 "[ . 1 . 2]" 1
2256 1 102 PHE H 1 102 PHE HB3 . . 3.190 2.483 2.442 2.556 . 0 0 "[ . 1 . 2]" 1
2257 1 102 PHE H 1 102 PHE QD . . 5.500 4.193 4.157 4.219 . 0 0 "[ . 1 . 2]" 1
2258 1 102 PHE H 1 103 GLN H . . 3.160 2.681 2.507 2.868 . 0 0 "[ . 1 . 2]" 1
2259 1 102 PHE H 1 103 GLN HA . . 5.500 5.209 5.078 5.371 . 0 0 "[ . 1 . 2]" 1
2260 1 102 PHE H 1 103 GLN HB3 . . 5.500 5.111 4.981 5.284 . 0 0 "[ . 1 . 2]" 1
2261 1 102 PHE H 1 103 GLN QE . . 5.250 3.861 3.708 3.987 . 0 0 "[ . 1 . 2]" 1
2262 1 102 PHE H 1 103 GLN QG . . 5.500 3.600 3.399 3.845 . 0 0 "[ . 1 . 2]" 1
2263 1 102 PHE H 1 104 GLU H . . 4.080 3.616 3.469 3.792 . 0 0 "[ . 1 . 2]" 1
2264 1 102 PHE H 1 105 MET H . . 5.230 4.786 4.625 4.996 . 0 0 "[ . 1 . 2]" 1
2265 1 102 PHE HA 1 102 PHE HB2 . . 2.800 2.453 2.428 2.495 . 0 0 "[ . 1 . 2]" 1
2266 1 102 PHE HA 1 102 PHE QD . . 3.950 2.867 2.502 3.066 . 0 0 "[ . 1 . 2]" 1
2267 1 102 PHE HA 1 103 GLN QE . . 5.500 5.389 5.334 5.462 . 0 0 "[ . 1 . 2]" 1
2268 1 102 PHE HA 1 105 MET H . . 4.730 3.646 3.552 3.710 . 0 0 "[ . 1 . 2]" 1
2269 1 102 PHE HA 1 105 MET ME . . 5.500 4.601 4.438 4.769 . 0 0 "[ . 1 . 2]" 1
2270 1 102 PHE HA 1 105 MET HG2 . . 4.180 2.951 2.818 3.139 . 0 0 "[ . 1 . 2]" 1
2271 1 102 PHE HA 1 106 VAL H . . 5.500 5.130 5.070 5.234 . 0 0 "[ . 1 . 2]" 1
2272 1 102 PHE HA 1 106 VAL MG2 . . 5.500 4.287 4.163 4.457 . 0 0 "[ . 1 . 2]" 1
2273 1 102 PHE HB2 1 102 PHE QD . . 3.420 2.413 2.330 2.552 . 0 0 "[ . 1 . 2]" 1
2274 1 102 PHE HB2 1 104 GLU H . . 5.500 5.537 5.403 5.638 0.138 5 0 "[ . 1 . 2]" 1
2275 1 102 PHE HB3 1 102 PHE QD . . 3.080 2.370 2.279 2.448 . 0 0 "[ . 1 . 2]" 1
2276 1 102 PHE HB3 1 103 GLN H . . 2.930 2.084 1.940 2.232 . 0 0 "[ . 1 . 2]" 1
2277 1 102 PHE HB3 1 103 GLN HB3 . . 5.500 4.107 3.951 4.232 . 0 0 "[ . 1 . 2]" 1
2278 1 102 PHE HB3 1 104 GLU H . . 5.500 4.565 4.415 4.707 . 0 0 "[ . 1 . 2]" 1
2279 1 102 PHE HB3 1 105 MET H . . 5.500 5.380 5.299 5.462 . 0 0 "[ . 1 . 2]" 1
2280 1 102 PHE HB3 1 106 VAL MG2 . . 5.500 4.584 4.407 4.667 . 0 0 "[ . 1 . 2]" 1
2281 1 102 PHE QD 1 103 GLN H . . 3.310 2.677 2.436 2.903 . 0 0 "[ . 1 . 2]" 1
2282 1 102 PHE QD 1 103 GLN HA . . 4.270 2.909 2.579 3.473 . 0 0 "[ . 1 . 2]" 1
2283 1 103 GLN H 1 103 GLN HB3 . . 2.780 2.542 2.502 2.623 . 0 0 "[ . 1 . 2]" 1
2284 1 103 GLN H 1 103 GLN QE . . 4.420 2.169 2.112 2.236 . 0 0 "[ . 1 . 2]" 1
2285 1 103 GLN H 1 103 GLN QG . . 3.700 2.241 2.070 2.337 . 0 0 "[ . 1 . 2]" 1
2286 1 103 GLN H 1 104 GLU QG . . 5.340 4.127 3.933 4.477 . 0 0 "[ . 1 . 2]" 1
2287 1 103 GLN H 1 106 VAL MG2 . . 5.500 3.892 3.838 3.953 . 0 0 "[ . 1 . 2]" 1
2288 1 103 GLN H 1 107 GLN HE22 . . 5.500 5.456 5.366 5.513 0.013 14 0 "[ . 1 . 2]" 1
2289 1 103 GLN HA 1 103 GLN HB2 . . 2.400 2.475 2.455 2.504 0.104 5 0 "[ . 1 . 2]" 1
2290 1 103 GLN HA 1 103 GLN QG . . 3.620 3.343 3.341 3.345 . 0 0 "[ . 1 . 2]" 1
2291 1 103 GLN HA 1 104 GLU HA . . 4.830 4.845 4.838 4.851 0.021 12 0 "[ . 1 . 2]" 1
2292 1 103 GLN HA 1 104 GLU QG . . 5.340 5.136 4.947 5.221 . 0 0 "[ . 1 . 2]" 1
2293 1 103 GLN HA 1 105 MET H . . 4.470 3.910 3.777 4.018 . 0 0 "[ . 1 . 2]" 1
2294 1 103 GLN HA 1 106 VAL H . . 3.570 3.134 3.057 3.224 . 0 0 "[ . 1 . 2]" 1
2295 1 103 GLN HA 1 106 VAL HA . . 5.500 5.006 4.945 5.085 . 0 0 "[ . 1 . 2]" 1
2296 1 103 GLN HA 1 106 VAL HB . . 4.120 2.892 2.819 2.968 . 0 0 "[ . 1 . 2]" 1
2297 1 103 GLN HA 1 106 VAL MG1 . . 5.480 4.017 3.985 4.052 . 0 0 "[ . 1 . 2]" 1
2298 1 103 GLN HA 1 106 VAL MG2 . . 3.850 1.772 1.742 1.789 . 0 0 "[ . 1 . 2]" 1
2299 1 103 GLN HA 1 107 GLN H . . 4.200 4.027 3.936 4.158 . 0 0 "[ . 1 . 2]" 1
2300 1 103 GLN HA 1 107 GLN HE21 . . 4.400 3.477 3.362 3.585 . 0 0 "[ . 1 . 2]" 1
2301 1 103 GLN HA 1 107 GLN HG3 . . 4.930 5.259 5.138 5.471 0.541 19 1 "[ . 1 . +2]" 1
2302 1 103 GLN HB2 1 104 GLU H . . 4.720 3.744 3.665 3.811 . 0 0 "[ . 1 . 2]" 1
2303 1 103 GLN HB2 1 105 MET H . . 5.500 5.304 5.223 5.367 . 0 0 "[ . 1 . 2]" 1
2304 1 103 GLN HB3 1 104 GLU H . . 4.960 3.989 3.956 4.017 . 0 0 "[ . 1 . 2]" 1
2305 1 103 GLN QE 1 104 GLU HA . . 4.120 6.175 6.109 6.255 2.135 5 20 [****+*************-*] 1
2306 1 103 GLN QE 1 107 GLN HE22 . . 5.500 5.049 4.978 5.143 . 0 0 "[ . 1 . 2]" 1
2307 1 103 GLN QG 1 104 GLU H . . 3.470 1.940 1.900 1.995 . 0 0 "[ . 1 . 2]" 1
2308 1 103 GLN QG 1 104 GLU HA . . 3.190 3.487 3.425 3.573 0.383 5 0 "[ . 1 . 2]" 1
2309 1 103 GLN QG 1 105 MET H . . 5.500 4.310 4.275 4.338 . 0 0 "[ . 1 . 2]" 1
2310 1 103 GLN QG 1 106 VAL MG2 . . 5.320 4.504 4.489 4.515 . 0 0 "[ . 1 . 2]" 1
2311 1 103 GLN QG 1 107 GLN HE22 . . 5.020 3.096 2.828 3.326 . 0 0 "[ . 1 . 2]" 1
2312 1 104 GLU H 1 104 GLU QB . . 2.680 2.496 2.272 2.659 . 0 0 "[ . 1 . 2]" 1
2313 1 104 GLU H 1 104 GLU HG2 . . 3.790 2.491 1.904 3.527 . 0 0 "[ . 1 . 2]" 1
2314 1 104 GLU H 1 104 GLU QG . . 3.190 2.173 1.896 2.582 . 0 0 "[ . 1 . 2]" 1
2315 1 104 GLU H 1 104 GLU HG3 . . 3.790 3.069 1.958 3.519 . 0 0 "[ . 1 . 2]" 1
2316 1 104 GLU H 1 105 MET H . . 3.060 2.710 2.683 2.722 . 0 0 "[ . 1 . 2]" 1
2317 1 104 GLU H 1 105 MET HG2 . . 5.500 5.554 5.511 5.592 0.092 1 0 "[ . 1 . 2]" 1
2318 1 104 GLU H 1 105 MET HG3 . . 5.500 5.061 5.006 5.123 . 0 0 "[ . 1 . 2]" 1
2319 1 104 GLU H 1 106 VAL H . . 3.920 3.973 3.941 4.002 0.082 19 0 "[ . 1 . 2]" 1
2320 1 104 GLU H 1 106 VAL MG2 . . 5.500 4.413 4.389 4.434 . 0 0 "[ . 1 . 2]" 1
2321 1 104 GLU H 1 107 GLN H . . 5.500 5.511 5.449 5.554 0.054 20 0 "[ . 1 . 2]" 1
2322 1 104 GLU HA 1 104 GLU QG . . 3.520 3.161 2.504 3.448 . 0 0 "[ . 1 . 2]" 1
2323 1 104 GLU HA 1 105 MET H . . 3.540 3.489 3.463 3.503 . 0 0 "[ . 1 . 2]" 1
2324 1 104 GLU QG 1 105 MET H . . 3.910 3.033 2.025 3.940 0.030 19 0 "[ . 1 . 2]" 1
2325 1 105 MET H 1 105 MET HB2 . . 3.880 3.593 3.569 3.618 . 0 0 "[ . 1 . 2]" 1
2326 1 105 MET H 1 105 MET HB3 . . 3.070 2.369 2.317 2.418 . 0 0 "[ . 1 . 2]" 1
2327 1 105 MET H 1 105 MET HG3 . . 3.610 2.781 2.710 2.863 . 0 0 "[ . 1 . 2]" 1
2328 1 105 MET H 1 106 VAL H . . 2.760 2.371 2.292 2.429 . 0 0 "[ . 1 . 2]" 1
2329 1 105 MET H 1 106 VAL HA . . 5.180 4.975 4.915 5.026 . 0 0 "[ . 1 . 2]" 1
2330 1 105 MET H 1 106 VAL MG2 . . 4.240 3.428 3.371 3.495 . 0 0 "[ . 1 . 2]" 1
2331 1 105 MET H 1 107 GLN HE21 . . 5.500 5.329 5.131 5.487 . 0 0 "[ . 1 . 2]" 1
2332 1 105 MET H 1 108 SER H . . 4.770 4.726 4.664 4.799 0.029 19 0 "[ . 1 . 2]" 1
2333 1 105 MET HA 1 105 MET HB2 . . 2.910 2.301 2.292 2.307 . 0 0 "[ . 1 . 2]" 1
2334 1 105 MET HA 1 105 MET HG3 . . 3.720 3.560 3.546 3.571 . 0 0 "[ . 1 . 2]" 1
2335 1 105 MET HA 1 106 VAL MG2 . . 5.500 4.626 4.585 4.656 . 0 0 "[ . 1 . 2]" 1
2336 1 105 MET HA 1 108 SER H . . 4.720 4.283 4.049 4.339 . 0 0 "[ . 1 . 2]" 1
2337 1 105 MET HB2 1 106 VAL H . . 4.540 4.322 4.297 4.378 . 0 0 "[ . 1 . 2]" 1
2338 1 105 MET ME 1 105 MET HG2 . . 3.300 2.401 2.329 2.467 . 0 0 "[ . 1 . 2]" 1
2339 1 105 MET HG3 1 106 VAL H . . 3.570 2.492 2.438 2.634 . 0 0 "[ . 1 . 2]" 1
2340 1 105 MET HG3 1 106 VAL HA . . 3.800 3.365 3.308 3.422 . 0 0 "[ . 1 . 2]" 1
2341 1 105 MET HG3 1 106 VAL HB . . 4.610 4.409 4.397 4.443 . 0 0 "[ . 1 . 2]" 1
2342 1 105 MET HG3 1 106 VAL MG2 . . 3.720 1.998 1.957 2.032 . 0 0 "[ . 1 . 2]" 1
2343 1 106 VAL H 1 106 VAL HB . . 3.060 2.640 2.621 2.657 . 0 0 "[ . 1 . 2]" 1
2344 1 106 VAL H 1 106 VAL MG2 . . 2.800 2.093 2.053 2.196 . 0 0 "[ . 1 . 2]" 1
2345 1 106 VAL HA 1 106 VAL MG1 . . 2.750 2.213 2.199 2.232 . 0 0 "[ . 1 . 2]" 1
2346 1 106 VAL HA 1 107 GLN HA . . 5.500 4.682 4.663 4.766 . 0 0 "[ . 1 . 2]" 1
2347 1 106 VAL HA 1 108 SER H . . 4.980 4.567 4.265 4.636 . 0 0 "[ . 1 . 2]" 1
2348 1 106 VAL HB 1 107 GLN H . . 2.700 1.773 1.759 1.793 . 0 0 "[ . 1 . 2]" 1
2349 1 106 VAL HB 1 107 GLN HE21 . . 5.500 2.538 2.432 2.689 . 0 0 "[ . 1 . 2]" 1
2350 1 106 VAL HB 1 107 GLN HG3 . . 4.840 3.002 2.819 3.354 . 0 0 "[ . 1 . 2]" 1
2351 1 106 VAL HB 1 108 SER H . . 5.500 4.154 4.127 4.262 . 0 0 "[ . 1 . 2]" 1
2352 1 106 VAL MG1 1 107 GLN H . . 4.070 2.905 2.885 2.954 . 0 0 "[ . 1 . 2]" 1
2353 1 106 VAL MG1 1 107 GLN HA . . 4.890 3.571 3.546 3.598 . 0 0 "[ . 1 . 2]" 1
2354 1 106 VAL MG1 1 107 GLN HE21 . . 5.500 3.757 3.678 3.889 . 0 0 "[ . 1 . 2]" 1
2355 1 106 VAL MG1 1 107 GLN HG2 . . 5.340 4.236 4.057 4.804 . 0 0 "[ . 1 . 2]" 1
2356 1 106 VAL MG1 1 107 GLN HG3 . . 3.900 2.782 2.637 3.305 . 0 0 "[ . 1 . 2]" 1
2357 1 106 VAL MG1 1 108 SER H . . 5.500 4.822 4.734 4.844 . 0 0 "[ . 1 . 2]" 1
2358 1 106 VAL MG2 1 107 GLN H . . 4.060 3.426 3.406 3.449 . 0 0 "[ . 1 . 2]" 1
2359 1 106 VAL MG2 1 107 GLN HA . . 5.500 5.328 5.296 5.339 . 0 0 "[ . 1 . 2]" 1
2360 1 106 VAL MG2 1 107 GLN HB2 . . 5.500 5.386 5.280 5.482 . 0 0 "[ . 1 . 2]" 1
2361 1 106 VAL MG2 1 107 GLN HE22 . . 5.500 4.564 4.518 4.612 . 0 0 "[ . 1 . 2]" 1
2362 1 106 VAL MG2 1 107 GLN HG2 . . 5.500 5.920 5.779 6.210 0.710 19 2 "[ . - 1 . +2]" 1
2363 1 106 VAL MG2 1 108 SER H . . 5.500 4.863 4.847 4.880 . 0 0 "[ . 1 . 2]" 1
2364 1 107 GLN H 1 107 GLN HB2 . . 2.970 2.538 2.446 2.621 . 0 0 "[ . 1 . 2]" 1
2365 1 107 GLN H 1 107 GLN HB3 . . 3.630 3.590 3.587 3.593 . 0 0 "[ . 1 . 2]" 1
2366 1 107 GLN H 1 107 GLN HE21 . . 3.990 1.938 1.881 2.019 . 0 0 "[ . 1 . 2]" 1
2367 1 107 GLN H 1 107 GLN HE22 . . 5.500 3.655 3.594 3.725 . 0 0 "[ . 1 . 2]" 1
2368 1 107 GLN H 1 107 GLN HG2 . . 3.960 3.758 3.646 3.893 . 0 0 "[ . 1 . 2]" 1
2369 1 107 GLN H 1 107 GLN HG3 . . 3.390 2.307 2.145 2.508 . 0 0 "[ . 1 . 2]" 1
2370 1 107 GLN H 1 108 SER HA . . 5.330 5.234 4.896 5.349 0.019 19 0 "[ . 1 . 2]" 1
2371 1 107 GLN H 1 108 SER HB2 . . 5.500 5.256 4.851 5.551 0.051 3 0 "[ . 1 . 2]" 1
2372 1 107 GLN H 1 108 SER HB3 . . 5.500 5.186 4.766 5.553 0.053 13 0 "[ . 1 . 2]" 1
2373 1 107 GLN HA 1 107 GLN HB3 . . 2.980 2.458 2.417 2.546 . 0 0 "[ . 1 . 2]" 1
2374 1 107 GLN HA 1 107 GLN HE21 . . 4.690 4.143 4.046 4.243 . 0 0 "[ . 1 . 2]" 1
2375 1 107 GLN HA 1 107 GLN HG2 . . 3.420 3.104 3.035 3.156 . 0 0 "[ . 1 . 2]" 1
2376 1 107 GLN HA 1 107 GLN HG3 . . 3.810 2.580 2.421 2.663 . 0 0 "[ . 1 . 2]" 1
2377 1 107 GLN HB2 1 108 SER H . . 3.310 2.751 2.731 2.841 . 0 0 "[ . 1 . 2]" 1
2378 1 107 GLN HB3 1 107 GLN HE21 . . 3.940 3.821 3.639 3.956 0.016 12 0 "[ . 1 . 2]" 1
2379 1 107 GLN HB3 1 107 GLN HE22 . . 4.760 4.699 4.616 4.776 0.016 17 0 "[ . 1 . 2]" 1
2380 1 107 GLN HB3 1 108 SER H . . 4.060 3.802 3.688 3.874 . 0 0 "[ . 1 . 2]" 1
2381 1 107 GLN HE21 1 107 GLN HG3 . . 3.390 2.513 2.419 2.644 . 0 0 "[ . 1 . 2]" 1
2382 1 107 GLN HE22 1 108 SER H . . 5.500 5.139 4.925 5.613 0.113 19 0 "[ . 1 . 2]" 1
2383 1 107 GLN HG2 1 108 SER H . . 5.500 5.229 5.194 5.302 . 0 0 "[ . 1 . 2]" 1
2384 1 107 GLN HG3 1 108 SER H . . 4.660 4.428 4.314 4.640 . 0 0 "[ . 1 . 2]" 1
2385 1 108 SER H 1 108 SER HB2 . . 3.620 2.955 2.553 3.224 . 0 0 "[ . 1 . 2]" 1
2386 1 108 SER H 1 108 SER HB3 . . 3.620 2.769 2.299 3.540 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 3:31:26 AM GMT (wattos1)