NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
551222 |
2lwe   |
18623 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwe
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 1319
_Distance_constraint_stats_list.Viol_count 4714
_Distance_constraint_stats_list.Viol_total 30165.207
_Distance_constraint_stats_list.Viol_max 2.706
_Distance_constraint_stats_list.Viol_rms 0.2026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0572
_Distance_constraint_stats_list.Viol_average_violations_only 0.3200
_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 5 LYS 25.776 1.273 1 12 "[+-* . **1***** **2]"
1 6 LYS 40.519 1.678 9 15 "[*-******+1 ** .*** *]"
1 7 ILE 20.359 0.864 20 13 "[* *.*** * -**** *+]"
1 8 GLU 15.343 1.449 12 14 "[** *****-**+ *. * *2]"
1 9 LYS 62.547 1.940 11 20 [*****-****+*********]
1 10 LEU 20.644 0.864 20 13 "[* *.*** * -**** *+]"
1 11 GLU 74.779 1.940 11 20 [**********+-********]
1 12 GLU 26.359 1.449 12 17 "[** *-******+*** * **]"
1 13 TYR 35.839 0.926 10 15 "[ * ***** +* * *****-]"
1 14 ARG 18.265 1.911 6 11 "[** *.+ * *-* ***]"
1 15 LEU 26.991 1.559 16 13 "[*** * ** 1 *- *+** *]"
1 16 LEU 26.707 1.238 12 12 "[ ** . *****+ .*** -]"
1 17 LEU 82.961 2.057 8 20 [*******+***********-]
1 18 LYS 51.698 1.559 16 20 [************-**+****]
1 19 ARG 38.942 1.238 12 10 "[ ** . * ***+ .*-* 2]"
1 20 LEU 21.978 0.432 4 0 "[ . 1 . 2]"
1 21 GLN 5.409 0.523 18 1 "[ . 1 . + 2]"
1 22 PRO 21.702 1.499 13 9 "[ * .****1 + *- *2]"
1 23 GLU 16.241 0.548 3 19 "[**+*******-******* *]"
1 24 PHE 8.807 0.240 13 0 "[ . 1 . 2]"
1 25 LYS 30.875 1.488 19 10 "[ * . * ** * *-* +*]"
1 26 THR 6.755 0.202 9 0 "[ . 1 . 2]"
1 27 ARG 29.894 1.331 2 15 "[ + ***-* ** **** ***]"
1 28 ILE 19.482 0.838 11 6 "[ ** * 1+ - . *]"
1 29 ILE 4.343 0.214 15 0 "[ . 1 . 2]"
1 30 PRO 61.354 2.706 9 20 [****-***+***********]
1 31 THR 14.740 0.657 9 7 "[ * - *+1 * * *2]"
1 32 ASP 19.481 0.974 7 9 "[*- * + 1 *** * *]"
1 33 ILE 26.241 0.990 20 14 "[*- *** **1***** *+]"
1 34 ILE 9.131 0.332 20 0 "[ . 1 . 2]"
1 35 SER 36.675 1.472 11 15 "[** -** **1+**** ***]"
1 36 ASP 31.447 1.472 11 15 "[** -** **1+**** ***]"
1 37 LEU 17.172 0.968 7 1 "[ . + 1 . 2]"
1 38 SER 20.970 1.829 9 12 "[ *-***+1*** * * *]"
1 39 GLU 9.670 0.689 12 3 "[ .- *1 + . 2]"
1 40 CYS 5.909 0.675 7 1 "[ . + 1 . 2]"
1 41 LEU 16.103 0.968 7 4 "[ - * + 1 . *]"
1 42 ILE 9.186 0.216 8 0 "[ . 1 . 2]"
1 43 ASN 12.135 1.042 7 3 "[ .*+ 1 . - 2]"
1 44 GLN 23.406 1.064 17 19 "[**********- ****+***]"
1 45 GLU 17.776 1.253 15 14 "[* * -** *1*** + ****]"
1 46 CYS 20.850 1.829 9 12 "[ *-***+1*** * * *]"
1 47 GLU 20.658 0.780 14 20 [************-+******]
1 48 GLU 14.786 1.031 2 11 "[*+*** 1 ***.* - *]"
1 49 ILE 25.268 0.936 6 14 "[*****+* 1-**** **2]"
1 50 LEU 12.137 1.069 8 3 "[ . + 1 *. -]"
1 51 GLN 38.787 0.909 5 20 [****+***************]
1 52 ILE 53.869 1.153 19 20 [*******-**********+*]
1 53 CYS 18.511 1.069 8 3 "[ . + 1 -. *]"
1 54 SER 46.800 0.909 5 19 "[****+****** *-******]"
1 55 THR 11.384 0.278 16 0 "[ . 1 . 2]"
1 56 LYS 58.075 1.153 19 20 [***-**************+*]
1 57 GLY 13.387 0.508 4 1 "[ +. 1 . 2]"
1 58 MET 17.069 0.501 9 1 "[ . +1 . 2]"
1 59 MET 41.321 1.284 2 19 "[*+***-*********** **]"
1 60 ALA 36.189 1.361 8 20 [*******+********-***]
1 61 GLY 1.186 0.181 17 0 "[ . 1 . 2]"
1 62 ALA 5.855 0.165 18 0 "[ . 1 . 2]"
1 63 GLU 84.183 1.558 5 20 [****+**************-]
1 64 LYS 35.518 1.031 2 18 "[*+************.**- *]"
1 65 LEU 97.618 2.706 9 20 [********+*-*********]
1 66 VAL 58.377 1.705 12 20 [***********+*****-**]
1 67 GLU 17.987 0.869 1 4 "[+ * 1 -. * 2]"
1 68 CYS 17.098 1.249 18 8 "[ -* * * 1 *. +**]"
1 69 LEU 60.076 2.057 8 20 [*******+***********-]
1 70 LEU 35.527 1.911 6 12 "[** **+ -* *.* ***]"
1 71 ARG 18.107 1.249 18 11 "[*** * * * *- +**]"
1 72 SER 6.300 0.477 4 0 "[ . 1 . 2]"
1 73 ASP 0.193 0.043 8 0 "[ . 1 . 2]"
1 74 LYS 31.266 0.978 6 7 "[* * *+ * * -. 2]"
1 75 GLU 53.233 1.784 18 16 "[** ******** -* *+**]"
1 76 ASN 7.367 0.724 19 4 "[ . *1 * - +2]"
1 77 TRP 1.689 0.148 3 0 "[ . 1 . 2]"
1 78 PRO 5.987 0.550 11 1 "[ . 1+ . 2]"
1 79 LYS 45.147 1.784 18 12 "[******- 1* **. + *]"
1 80 GLU 11.061 0.985 3 8 "[* + . * ** ** - 2]"
1 81 LEU 64.175 2.057 8 20 [*******+***********-]
1 82 LYS 28.076 1.914 18 18 "[****** -**** ****+**]"
1 83 LEU 16.335 1.914 18 5 "[* . ** *. + 2]"
1 84 ALA 30.756 1.745 6 20 [*****+***********-**]
1 85 LEU 47.878 1.519 10 20 [*********+*-********]
1 86 GLU 50.250 1.742 18 20 [*******-*********+**]
1 87 LYS 72.570 1.745 6 20 [***-*+**************]
1 88 GLU 8.092 0.974 7 3 "[* . + 1 - . 2]"
1 89 ARG 56.724 1.249 1 19 "[+*****-* ***********]"
1 90 ASN 2.497 0.478 2 0 "[ . 1 . 2]"
1 91 LYS 6.843 1.237 3 3 "[ + .- * . 2]"
1 92 PHE 17.598 1.331 2 10 "[ +* .- * ** **.* *2]"
1 93 SER 36.837 1.519 10 20 [*********+*-********]
1 94 GLU 28.763 1.515 12 14 "[** ** * * +*** *-**]"
1 95 LEU 19.228 1.515 12 8 "[* ** 1 + *. *-*2]"
1 96 TRP 16.422 0.399 20 0 "[ . 1 . 2]"
1 97 ILE 2.649 0.217 5 0 "[ . 1 . 2]"
1 98 VAL 17.097 0.926 10 10 "[** -* * *+* .** 2]"
1 99 GLU 18.864 0.806 1 9 "[+ * .* ** .***-2]"
1 100 LYS 25.217 1.541 7 16 "[-***.*+* *** ******]"
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 5 LYS H 1 5 LYS HB3 2.344 . 3.031 2.602 1.711 3.270 0.239 7 0 "[ . 1 . 2]" 1
2 1 5 LYS H 1 5 LYS HG3 2.949 . 4.036 3.607 3.145 4.125 0.089 6 0 "[ . 1 . 2]" 1
3 1 5 LYS HA 1 5 LYS HB3 2.042 . 2.563 2.554 2.392 2.928 0.365 17 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 5 LYS HG3 2.278 . 2.927 3.072 2.328 3.893 0.966 9 9 "[ -* . *+1 **** * 2]" 1
5 1 5 LYS HA 1 5 LYS HG3 2.496 . 3.274 2.722 2.268 3.389 0.115 3 0 "[ . 1 . 2]" 1
6 1 5 LYS HA 1 6 LYS H 2.336 . 3.018 2.619 2.069 2.906 . 0 0 "[ . 1 . 2]" 1
7 1 5 LYS HA 1 8 GLU HB3 2.511 . 3.299 2.530 1.819 3.389 0.090 19 0 "[ . 1 . 2]" 1
8 1 5 LYS HB3 1 5 LYS HG3 2.017 . 2.526 2.179 2.117 2.247 . 0 0 "[ . 1 . 2]" 1
9 1 5 LYS HB3 1 5 LYS HG3 2.033 . 2.550 2.021 1.987 2.050 . 0 0 "[ . 1 . 2]" 1
10 1 5 LYS HB3 1 5 LYS HG3 1.943 . 2.415 1.938 1.902 1.973 . 0 0 "[ . 1 . 2]" 1
11 1 5 LYS HD3 1 5 LYS HE3 2.228 . 2.849 2.911 2.404 3.012 0.163 14 0 "[ . 1 . 2]" 1
12 1 5 LYS HD3 1 5 LYS HG3 2.737 . 3.674 2.925 2.652 3.021 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS HE3 1 5 LYS HG3 1.930 . 2.396 2.896 2.364 3.669 1.273 1 8 "[+ * . *1*** - *2]" 1
14 1 5 LYS HE3 1 5 LYS HG3 2.215 . 2.828 2.696 2.082 3.315 0.487 1 0 "[ . 1 . 2]" 1
15 1 6 LYS H 1 7 ILE H 2.915 . 3.977 2.965 2.035 4.111 0.134 20 0 "[ . 1 . 2]" 1
16 1 6 LYS HA 1 6 LYS HB3 2.065 . 2.598 2.791 2.379 3.019 0.421 19 0 "[ . 1 . 2]" 1
17 1 6 LYS HA 1 6 LYS HB3 1.910 . 2.366 2.664 2.338 2.855 0.489 11 0 "[ . 1 . 2]" 1
18 1 6 LYS HA 1 6 LYS HD3 2.359 . 3.055 2.744 1.999 3.885 0.830 9 7 "[*-* * +1 .** 2]" 1
19 1 6 LYS HA 1 6 LYS HG3 2.379 . 3.086 3.359 3.063 3.785 0.699 5 8 "[*** + - 1 .*** 2]" 1
20 1 6 LYS HA 1 7 ILE H 2.094 . 6.000 3.553 3.498 3.584 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS HB3 1 7 ILE H 3.310 . 4.680 2.394 1.769 3.333 0.171 20 0 "[ . 1 . 2]" 1
22 1 6 LYS HB3 1 6 LYS HE3 2.642 . 3.514 3.775 1.983 5.192 1.678 9 7 "[ *.* *+1 ** . -]" 1
23 1 6 LYS HB3 1 7 ILE H 2.381 . 6.000 2.400 1.771 3.356 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS HD3 1 6 LYS HG3 1.730 . 2.104 2.375 2.193 2.654 0.550 6 3 "[ .+ - 1 . * 2]" 1
25 1 6 LYS HG3 1 7 ILE MD 2.513 . 3.302 3.055 2.145 3.665 0.363 5 0 "[ . 1 . 2]" 1
26 1 7 ILE H 1 7 ILE HA 2.579 . 3.411 2.870 2.803 2.927 . 0 0 "[ . 1 . 2]" 1
27 1 7 ILE H 1 7 ILE HB 2.296 . 2.955 2.736 2.629 2.907 . 0 0 "[ . 1 . 2]" 1
28 1 7 ILE H 1 7 ILE MD 2.606 . 3.455 2.744 1.542 3.310 0.215 5 0 "[ . 1 . 2]" 1
29 1 7 ILE H 1 7 ILE HG13 2.589 . 3.427 2.305 1.754 3.521 0.094 1 0 "[ . 1 . 2]" 1
30 1 7 ILE H 1 8 GLU H 2.933 . 4.008 2.390 2.083 2.600 . 0 0 "[ . 1 . 2]" 1
31 1 7 ILE H 1 8 GLU HB3 3.368 . 4.786 4.741 4.477 4.957 0.171 15 0 "[ . 1 . 2]" 1
32 1 7 ILE HA 1 7 ILE HB 2.196 . 2.799 2.974 2.957 2.983 0.184 13 0 "[ . 1 . 2]" 1
33 1 7 ILE HA 1 7 ILE HG13 2.751 . 3.697 3.014 2.525 3.749 0.052 20 0 "[ . 1 . 2]" 1
34 1 7 ILE HA 1 7 ILE MG 2.040 . 2.560 2.259 2.196 2.312 . 0 0 "[ . 1 . 2]" 1
35 1 7 ILE HA 1 8 GLU H 2.533 . 6.000 3.426 3.170 3.513 . 0 0 "[ . 1 . 2]" 1
36 1 7 ILE HB 1 7 ILE HG13 2.305 . 2.969 2.687 2.432 2.987 0.018 5 0 "[ . 1 . 2]" 1
37 1 7 ILE HB 1 7 ILE MG 1.927 . 2.391 2.105 2.095 2.115 . 0 0 "[ . 1 . 2]" 1
38 1 7 ILE HB 1 8 GLU H 3.144 . 4.379 2.984 2.491 3.763 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE HB 1 11 GLU HG3 2.443 . 3.189 3.723 3.205 4.053 0.864 20 13 "[* *.*** * -**** *+]" 1
40 1 7 ILE HB 1 11 GLU HG3 2.789 . 3.761 3.843 3.287 4.183 0.422 6 0 "[ . 1 . 2]" 1
41 1 7 ILE MD 1 7 ILE HG13 2.179 . 2.772 2.053 1.977 2.084 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE MD 1 8 GLU H 3.157 . 4.403 3.517 3.059 4.024 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE HG13 1 7 ILE MG 2.622 . 3.481 2.894 2.373 3.165 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE HG13 1 7 ILE MG 2.347 . 3.035 2.075 1.964 2.259 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE MG 1 9 LYS H 3.346 . 4.745 4.497 4.426 4.565 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLU H 1 8 GLU HA 2.890 . 3.934 2.768 2.731 2.817 . 0 0 "[ . 1 . 2]" 1
47 1 8 GLU H 1 8 GLU HB3 2.716 . 3.638 2.618 2.418 2.686 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLU H 1 8 GLU HG3 3.007 . 6.000 4.426 4.345 4.501 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLU HA 1 8 GLU HG3 2.371 . 3.074 2.494 2.368 2.648 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLU HA 1 9 LYS H 2.592 . 3.432 3.426 3.387 3.451 0.019 6 0 "[ . 1 . 2]" 1
51 1 8 GLU HA 1 10 LEU H 2.588 . 3.425 3.404 3.363 3.430 0.005 20 0 "[ . 1 . 2]" 1
52 1 8 GLU HA 1 11 GLU H 3.319 . 4.696 3.274 3.018 3.481 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLU HG3 1 9 LYS H 3.403 . 4.850 4.404 3.925 4.758 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLU HG3 1 12 GLU HG3 2.420 . 3.152 3.758 2.370 4.601 1.449 12 14 "[** *****-**+ *. * *2]" 1
55 1 9 LYS H 1 9 LYS HB3 2.455 . 3.208 2.639 2.325 2.977 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS H 1 9 LYS HG3 3.062 . 4.234 4.424 4.244 4.589 0.355 9 0 "[ . 1 . 2]" 1
57 1 9 LYS H 1 10 LEU H 2.683 . 3.583 2.562 2.445 2.642 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS H 1 11 GLU HB3 2.984 . 4.097 5.998 5.950 6.037 1.940 11 20 [***-******+*********] 1
59 1 9 LYS HA 1 9 LYS HB3 2.054 . 2.581 2.993 2.935 3.021 0.440 3 0 "[ . 1 . 2]" 1
60 1 9 LYS HA 1 9 LYS HD3 2.164 . 2.749 2.543 2.024 3.929 1.180 10 1 "[ . + . 2]" 1
61 1 9 LYS HA 1 9 LYS HG3 2.248 . 2.880 3.331 2.927 3.639 0.759 8 9 "[ **- +** * * *]" 1
62 1 9 LYS HA 1 12 GLU H 2.742 . 3.681 3.036 2.929 3.182 . 0 0 "[ . 1 . 2]" 1
63 1 9 LYS HB3 1 10 LEU H 2.326 . 3.003 2.375 2.244 2.546 . 0 0 "[ . 1 . 2]" 1
64 1 9 LYS HG3 1 10 LEU H 3.411 . 4.865 4.095 3.143 4.992 0.127 6 0 "[ . 1 . 2]" 1
65 1 10 LEU H 1 10 LEU HA 2.780 . 3.746 2.863 2.831 2.888 . 0 0 "[ . 1 . 2]" 1
66 1 10 LEU H 1 10 LEU MD1 3.058 . 6.000 4.150 4.042 4.205 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU H 1 10 LEU MD2 2.725 . 3.653 3.058 2.307 3.531 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU H 1 11 GLU H 2.467 . 3.228 2.418 2.325 2.563 . 0 0 "[ . 1 . 2]" 1
69 1 10 LEU H 1 11 GLU HB3 5.202 . 6.483 5.844 5.707 5.984 . 0 0 "[ . 1 . 2]" 1
70 1 10 LEU H 1 12 GLU H 2.870 . 3.899 3.872 3.686 3.933 0.034 8 0 "[ . 1 . 2]" 1
71 1 10 LEU HA 1 10 LEU HB3 2.363 . 3.061 2.877 2.676 3.026 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU HA 1 10 LEU MD1 2.196 . 2.799 2.252 2.076 2.369 . 0 0 "[ . 1 . 2]" 1
73 1 10 LEU HA 1 10 LEU MD2 2.068 . 2.602 2.172 2.005 2.448 . 0 0 "[ . 1 . 2]" 1
74 1 10 LEU HA 1 11 GLU H 3.223 . 4.522 3.506 3.475 3.528 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU HA 1 12 GLU H 3.397 . 4.840 4.013 3.869 4.190 . 0 0 "[ . 1 . 2]" 1
76 1 10 LEU HA 1 13 TYR H 2.583 . 3.417 2.750 2.609 2.873 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU HA 1 13 TYR HD1 2.397 . 3.115 3.436 3.311 3.569 0.454 15 0 "[ . 1 . 2]" 1
78 1 10 LEU HA 1 13 TYR HE1 3.028 . 4.174 4.289 4.187 4.384 0.210 4 0 "[ . 1 . 2]" 1
79 1 10 LEU HB3 1 10 LEU MD1 2.471 . 3.234 2.325 2.213 2.618 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU HB3 1 10 LEU MD2 2.494 . 3.271 3.132 3.096 3.145 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU HB3 1 11 GLU H 2.714 . 3.635 2.988 2.585 3.484 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU MD1 1 10 LEU HG 2.254 . 2.889 2.085 2.077 2.099 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU MD1 1 10 LEU HG 1.859 . 2.291 1.866 1.855 1.874 . 0 0 "[ . 1 . 2]" 1
84 1 10 LEU MD1 1 13 TYR H 3.135 . 4.364 3.833 3.553 4.245 . 0 0 "[ . 1 . 2]" 1
85 1 10 LEU MD2 1 10 LEU HG 1.914 . 2.372 2.101 2.079 2.112 . 0 0 "[ . 1 . 2]" 1
86 1 10 LEU MD2 1 13 TYR HD1 4.797 . 5.775 4.535 4.207 4.935 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLU H 1 11 GLU HA 2.507 . 3.293 2.776 2.765 2.791 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLU H 1 11 GLU HB3 2.434 . 3.175 3.548 3.519 3.565 0.390 19 0 "[ . 1 . 2]" 1
89 1 11 GLU H 1 11 GLU HG3 2.563 . 3.384 3.289 2.342 3.800 0.416 4 0 "[ . 1 . 2]" 1
90 1 11 GLU H 1 13 TYR H 2.808 . 6.000 3.926 3.849 4.050 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLU HA 1 11 GLU HB3 2.177 . 2.769 2.548 2.505 2.594 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLU HA 1 11 GLU HG3 2.285 . 2.937 3.469 2.859 3.721 0.784 15 14 "[* **.*** * **-+* **]" 1
93 1 11 GLU HB3 1 11 GLU HG3 1.865 . 2.300 2.251 2.107 2.504 0.204 2 0 "[ . 1 . 2]" 1
94 1 11 GLU HB3 1 12 GLU H 2.809 . 3.795 3.511 3.216 3.645 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLU HG3 1 12 GLU H 3.077 . 6.000 4.810 4.395 5.077 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLU H 1 12 GLU HA 2.510 . 3.297 2.806 2.727 2.852 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLU H 1 13 TYR H 2.341 . 3.026 2.642 2.496 2.865 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLU H 1 14 ARG H 3.464 . 4.964 4.344 4.068 4.586 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLU H 1 15 LEU QD 3.232 . 4.538 3.951 3.348 4.655 0.117 2 0 "[ . 1 . 2]" 1
100 1 12 GLU HA 1 12 GLU HB3 2.432 . 3.171 2.494 2.391 2.582 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLU HA 1 12 GLU HG3 2.582 . 3.416 3.164 2.799 3.619 0.203 18 0 "[ . 1 . 2]" 1
102 1 12 GLU HA 1 12 GLU HG3 1.973 . 2.459 2.291 2.225 2.354 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU HA 1 13 TYR H 3.001 . 4.126 3.520 3.485 3.555 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU HA 1 15 LEU H 2.865 . 3.891 3.233 2.614 3.619 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU HA 1 15 LEU HB3 2.614 . 3.468 3.104 1.807 3.702 0.234 1 0 "[ . 1 . 2]" 1
106 1 12 GLU HA 1 15 LEU MD1 4.436 . 5.178 3.534 2.797 4.646 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU HA 1 15 LEU QD 2.248 . 2.880 2.125 1.812 2.732 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLU HB3 1 13 TYR H 2.504 . 3.288 3.691 3.329 4.001 0.713 15 9 "[ *-* * 1 * + * **]" 1
109 1 12 GLU HB3 1 14 ARG H 3.435 . 4.910 4.568 4.288 4.775 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLU HG3 1 15 LEU MD1 5.269 . 5.912 5.329 3.564 6.704 0.792 20 2 "[ . - 1 . +]" 1
111 1 13 TYR H 1 13 TYR HA 2.869 . 3.898 2.781 2.759 2.806 . 0 0 "[ . 1 . 2]" 1
112 1 13 TYR H 1 13 TYR HB3 2.586 . 3.422 3.608 3.579 3.622 0.200 13 0 "[ . 1 . 2]" 1
113 1 13 TYR H 1 13 TYR HD1 2.668 . 3.558 2.348 2.147 2.615 . 0 0 "[ . 1 . 2]" 1
114 1 13 TYR H 1 13 TYR HE1 3.249 . 4.569 4.393 4.182 4.624 0.055 6 0 "[ . 1 . 2]" 1
115 1 13 TYR H 1 14 ARG H 2.494 . 6.000 2.774 2.682 2.878 . 0 0 "[ . 1 . 2]" 1
116 1 13 TYR HA 1 13 TYR HB3 2.525 . 3.322 2.569 2.537 2.609 . 0 0 "[ . 1 . 2]" 1
117 1 13 TYR HA 1 13 TYR HD1 2.423 . 3.157 2.033 1.957 2.146 . 0 0 "[ . 1 . 2]" 1
118 1 13 TYR HA 1 14 ARG H 2.771 . 3.731 3.537 3.506 3.573 . 0 0 "[ . 1 . 2]" 1
119 1 13 TYR HA 1 16 LEU HB3 2.519 . 3.312 3.470 2.578 4.138 0.826 18 5 "[ * . * 1 .* + -]" 1
120 1 13 TYR HA 1 16 LEU QD 3.751 . 3.799 3.038 2.617 3.656 . 0 0 "[ . 1 . 2]" 1
121 1 13 TYR HA 1 96 TRP HZ2 3.122 . 4.341 4.390 4.236 4.478 0.137 5 0 "[ . 1 . 2]" 1
122 1 13 TYR HB3 1 13 TYR HD1 2.603 . 3.450 3.487 3.420 3.561 0.111 14 0 "[ . 1 . 2]" 1
123 1 13 TYR HB3 1 14 ARG H 3.512 . 5.054 3.398 3.136 3.609 . 0 0 "[ . 1 . 2]" 1
124 1 13 TYR HD1 1 16 LEU QD 4.741 . 5.680 3.417 2.884 3.963 . 0 0 "[ . 1 . 2]" 1
125 1 13 TYR HD1 1 98 VAL HA 2.834 . 3.838 4.025 3.922 4.228 0.390 19 0 "[ . 1 . 2]" 1
126 1 13 TYR HE1 1 16 LEU QD 5.056 4.037 6.075 4.246 3.735 4.777 0.302 1 0 "[ . 1 . 2]" 1
127 1 13 TYR HE1 1 98 VAL HA 2.260 . 2.898 2.944 2.683 3.057 0.159 3 0 "[ . 1 . 2]" 1
128 1 13 TYR HE1 1 98 VAL MG2 3.702 . 4.615 3.829 2.891 5.541 0.926 10 3 "[ . - +* . 2]" 1
129 1 13 TYR HE1 1 99 GLU H 3.462 . 4.960 3.288 2.560 4.182 . 0 0 "[ . 1 . 2]" 1
130 1 14 ARG H 1 14 ARG HB3 2.841 . 3.850 3.247 2.435 3.606 . 0 0 "[ . 1 . 2]" 1
131 1 14 ARG H 1 14 ARG HD3 3.471 . 4.977 4.399 2.215 5.867 0.890 15 1 "[ . 1 + 2]" 1
132 1 14 ARG H 1 14 ARG HG3 2.791 . 6.000 3.364 2.189 4.475 . 0 0 "[ . 1 . 2]" 1
133 1 14 ARG H 1 15 LEU H 2.727 . 3.656 2.680 2.518 2.795 . 0 0 "[ . 1 . 2]" 1
134 1 14 ARG H 1 16 LEU H 3.208 . 4.494 3.898 3.708 4.300 . 0 0 "[ . 1 . 2]" 1
135 1 14 ARG H 1 77 TRP HZ2 3.480 . 4.994 4.321 3.661 5.015 0.021 18 0 "[ . 1 . 2]" 1
136 1 14 ARG H 1 78 PRO HB3 3.306 . 6.000 5.400 5.179 5.568 . 0 0 "[ . 1 . 2]" 1
137 1 14 ARG HA 1 14 ARG HB3 2.533 . 3.335 2.712 2.466 3.024 . 0 0 "[ . 1 . 2]" 1
138 1 14 ARG HA 1 14 ARG HG3 2.592 . 3.432 2.690 2.267 3.139 . 0 0 "[ . 1 . 2]" 1
139 1 14 ARG HA 1 15 LEU H 2.937 . 4.015 3.565 3.511 3.596 . 0 0 "[ . 1 . 2]" 1
140 1 14 ARG HA 1 70 LEU MD2 4.294 2.636 4.952 4.281 2.752 4.885 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG HA 1 77 TRP HZ2 2.673 . 3.566 2.889 1.988 3.675 0.109 2 0 "[ . 1 . 2]" 1
142 1 14 ARG HB3 1 14 ARG HG3 2.563 . 3.384 2.361 2.219 2.555 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG HB3 1 15 LEU H 2.902 . 3.955 3.080 2.319 3.729 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG HG3 1 70 LEU HA 2.762 . 3.715 4.490 3.247 5.626 1.911 6 10 "[** *.+ - *.* ***]" 1
145 1 15 LEU H 1 15 LEU HA 2.526 . 3.324 2.825 2.778 2.880 . 0 0 "[ . 1 . 2]" 1
146 1 15 LEU H 1 15 LEU HB3 2.127 . 2.693 2.393 2.253 2.590 . 0 0 "[ . 1 . 2]" 1
147 1 15 LEU H 1 15 LEU MD2 3.558 2.740 4.376 3.466 3.123 4.215 . 0 0 "[ . 1 . 2]" 1
148 1 15 LEU H 1 16 LEU H 2.479 . 3.247 2.542 2.305 2.704 . 0 0 "[ . 1 . 2]" 1
149 1 15 LEU HA 1 15 LEU HB3 2.361 . 3.058 2.697 2.526 3.026 . 0 0 "[ . 1 . 2]" 1
150 1 15 LEU HA 1 15 LEU HB3 2.016 . 2.524 2.467 2.286 2.737 0.213 8 0 "[ . 1 . 2]" 1
151 1 15 LEU HA 1 16 LEU H 2.915 . 3.977 3.455 3.411 3.503 . 0 0 "[ . 1 . 2]" 1
152 1 15 LEU HA 1 16 LEU HA 4.601 . 5.447 4.098 4.019 4.165 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU HA 1 18 LYS H 2.773 . 3.735 3.374 3.201 3.750 0.015 8 0 "[ . 1 . 2]" 1
154 1 15 LEU HA 1 19 ARG H 3.066 . 4.241 3.367 3.284 3.413 . 0 0 "[ . 1 . 2]" 1
155 1 15 LEU HA 1 18 LYS HB3 4.049 . 4.574 4.454 4.012 4.921 0.347 8 0 "[ . 1 . 2]" 1
156 1 15 LEU HA 1 18 LYS HB3 2.241 . 2.869 2.719 2.592 2.802 . 0 0 "[ . 1 . 2]" 1
157 1 15 LEU HA 1 18 LYS HD3 2.143 . 2.717 2.739 2.036 4.276 1.559 16 4 "[* . 1 * -+ 2]" 1
158 1 15 LEU HA 1 18 LYS HG3 2.788 . 3.760 2.467 2.079 3.722 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU HB3 1 15 LEU MD2 1.945 . 2.418 2.157 2.122 2.297 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU HB3 1 18 LYS HB3 5.540 . 6.346 6.846 6.388 7.462 1.116 5 7 "[ * + ** 1 - .* *]" 1
161 1 15 LEU QD 1 19 ARG HB3 2.672 . 3.564 3.324 2.719 3.790 0.226 18 0 "[ . 1 . 2]" 1
162 1 15 LEU MD1 1 15 LEU HG 2.229 . 2.850 2.117 2.103 2.127 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU MD1 1 16 LEU H 3.135 . 4.364 3.600 3.042 4.694 0.330 7 0 "[ . 1 . 2]" 1
164 1 15 LEU MD1 1 16 LEU HA 4.646 . 5.521 3.460 2.499 5.372 . 0 0 "[ . 1 . 2]" 1
165 1 15 LEU MD1 1 19 ARG HG3 3.046 2.523 4.569 2.950 1.854 4.820 0.669 3 3 "[ + . 1 . -* 2]" 1
166 1 15 LEU MD2 1 15 LEU HG 1.968 . 2.452 2.128 2.121 2.130 . 0 0 "[ . 1 . 2]" 1
167 1 16 LEU H 1 16 LEU HA 2.506 . 3.291 2.808 2.779 2.830 . 0 0 "[ . 1 . 2]" 1
168 1 16 LEU H 1 16 LEU HB3 2.457 . 3.212 3.023 2.327 3.274 0.062 8 0 "[ . 1 . 2]" 1
169 1 16 LEU H 1 16 LEU QD 2.936 . 6.000 3.600 3.381 3.702 . 0 0 "[ . 1 . 2]" 1
170 1 16 LEU H 1 16 LEU HG 2.350 . 6.000 3.782 3.236 4.433 . 0 0 "[ . 1 . 2]" 1
171 1 16 LEU H 1 17 LEU H 2.676 . 3.571 2.586 2.512 2.653 . 0 0 "[ . 1 . 2]" 1
172 1 16 LEU H 1 18 LYS H 3.111 . 4.321 4.056 3.910 4.308 . 0 0 "[ . 1 . 2]" 1
173 1 16 LEU H 1 19 ARG H 3.263 . 4.594 4.408 4.301 4.516 . 0 0 "[ . 1 . 2]" 1
174 1 16 LEU HA 1 16 LEU HB3 2.760 . 3.712 2.867 2.753 2.978 . 0 0 "[ . 1 . 2]" 1
175 1 16 LEU HA 1 16 LEU HB3 1.953 . 2.430 2.739 2.646 2.827 0.397 3 0 "[ . 1 . 2]" 1
176 1 16 LEU HA 1 17 LEU H 3.080 . 4.266 3.512 3.474 3.544 . 0 0 "[ . 1 . 2]" 1
177 1 16 LEU HB3 1 16 LEU QD 2.522 . 3.085 2.083 2.018 2.283 . 0 0 "[ . 1 . 2]" 1
178 1 16 LEU QD 1 17 LEU H 3.212 . 4.501 3.952 3.837 4.023 . 0 0 "[ . 1 . 2]" 1
179 1 16 LEU QD 1 17 LEU H 3.275 . 4.615 3.235 2.828 3.394 . 0 0 "[ . 1 . 2]" 1
180 1 16 LEU QD 1 19 ARG HB3 5.689 . 6.593 2.939 2.558 3.335 . 0 0 "[ . 1 . 2]" 1
181 1 16 LEU QD 1 19 ARG HG3 4.345 3.658 4.622 3.030 2.420 3.543 1.238 12 10 "[ ** . * ***+ .*-* 2]" 1
182 1 16 LEU QD 1 20 LEU QD 2.686 . 3.588 1.855 1.748 1.975 0.036 19 0 "[ . 1 . 2]" 1
183 1 16 LEU QD 1 96 TRP HA 2.998 . 4.121 3.299 2.734 3.626 . 0 0 "[ . 1 . 2]" 1
184 1 16 LEU QD 1 97 ILE H 2.871 . 3.901 2.220 1.624 2.455 0.217 5 0 "[ . 1 . 2]" 1
185 1 16 LEU HG 1 17 LEU H 3.002 . 6.000 4.813 3.703 5.146 . 0 0 "[ . 1 . 2]" 1
186 1 17 LEU H 1 17 LEU HA 2.879 . 3.915 2.801 2.763 2.854 . 0 0 "[ . 1 . 2]" 1
187 1 17 LEU H 1 17 LEU QD 3.192 . 4.466 3.457 2.897 3.690 . 0 0 "[ . 1 . 2]" 1
188 1 17 LEU H 1 18 LYS H 2.761 . 3.714 2.609 2.431 2.823 . 0 0 "[ . 1 . 2]" 1
189 1 17 LEU H 1 18 LYS HG3 3.397 . 4.839 3.903 3.608 4.861 0.022 6 0 "[ . 1 . 2]" 1
190 1 17 LEU H 1 19 ARG H 3.042 . 4.199 3.731 3.578 3.814 . 0 0 "[ . 1 . 2]" 1
191 1 17 LEU H 1 96 TRP HH2 3.192 . 4.465 2.558 2.327 2.786 . 0 0 "[ . 1 . 2]" 1
192 1 17 LEU H 1 96 TRP HZ2 3.168 . 4.423 4.034 3.805 4.160 . 0 0 "[ . 1 . 2]" 1
193 1 17 LEU HA 1 17 LEU HB3 2.541 . 3.348 2.980 2.856 3.023 . 0 0 "[ . 1 . 2]" 1
194 1 17 LEU HA 1 17 LEU QD 3.169 . 3.757 1.941 1.733 2.059 0.105 10 0 "[ . 1 . 2]" 1
195 1 17 LEU HA 1 17 LEU HG 2.910 . 3.969 3.402 2.940 3.763 . 0 0 "[ . 1 . 2]" 1
196 1 17 LEU HA 1 18 LYS H 3.254 . 4.578 3.504 3.481 3.576 . 0 0 "[ . 1 . 2]" 1
197 1 17 LEU HA 1 20 LEU H 2.858 . 3.879 3.266 3.135 3.368 . 0 0 "[ . 1 . 2]" 1
198 1 17 LEU HA 1 21 GLN H 2.980 . 4.090 3.804 3.614 3.908 . 0 0 "[ . 1 . 2]" 1
199 1 17 LEU HA 1 20 LEU H 3.154 . 4.397 3.756 3.449 4.048 . 0 0 "[ . 1 . 2]" 1
200 1 17 LEU HA 1 81 LEU QD 4.910 2.852 5.968 3.755 3.442 3.977 . 0 0 "[ . 1 . 2]" 1
201 1 17 LEU HA 1 96 TRP HZ2 2.558 . 3.376 3.626 3.437 3.775 0.399 20 0 "[ . 1 . 2]" 1
202 1 17 LEU HB3 1 17 LEU QD 2.752 . 3.439 2.312 2.134 2.401 . 0 0 "[ . 1 . 2]" 1
203 1 17 LEU HB3 1 17 LEU HG 2.783 . 3.751 2.420 2.325 2.516 . 0 0 "[ . 1 . 2]" 1
204 1 17 LEU HB3 1 18 LYS H 2.874 . 3.907 2.552 2.398 2.757 . 0 0 "[ . 1 . 2]" 1
205 1 17 LEU MD1 1 17 LEU MD2 2.999 2.500 3.498 2.035 2.002 2.077 0.498 20 0 "[ . 1 . 2]" 1
206 1 17 LEU QD 1 81 LEU QD 4.149 3.572 4.726 1.750 1.515 2.202 2.057 8 20 [*******+****-*******] 1
207 1 17 LEU QD 1 66 VAL HA 2.410 . 3.136 2.311 1.882 2.676 . 0 0 "[ . 1 . 2]" 1
208 1 17 LEU QD 1 66 VAL QG 2.698 . 4.608 2.351 1.740 3.152 0.048 1 0 "[ . 1 . 2]" 1
209 1 17 LEU QD 1 69 LEU H 3.367 . 4.784 3.735 3.331 4.361 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU QD 1 69 LEU HB3 2.689 . 3.593 2.632 2.105 3.368 . 0 0 "[ . 1 . 2]" 1
211 1 17 LEU QD 1 81 LEU QD 5.109 2.553 5.665 1.633 1.531 1.724 1.022 6 20 [*****+*************-] 1
212 1 17 LEU QD 1 70 LEU H 3.267 . 4.601 2.913 2.266 3.979 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU QD 1 70 LEU MD1 5.497 . 6.276 2.506 1.710 3.710 0.008 15 0 "[ . 1 . 2]" 1
214 1 17 LEU QD 1 70 LEU MD2 4.136 . 4.706 2.117 1.718 3.296 . 0 0 "[ . 1 . 2]" 1
215 1 17 LEU QD 1 70 LEU MD2 2.191 . 2.791 1.814 1.565 2.034 0.026 8 0 "[ . 1 . 2]" 1
216 1 17 LEU QD 1 77 TRP HH2 2.841 . 3.850 2.727 2.149 3.268 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU QD 1 81 LEU QD 2.692 . 3.598 2.093 1.729 2.393 0.057 6 0 "[ . 1 . 2]" 1
218 1 17 LEU QD 1 96 TRP HZ2 4.918 . 5.982 2.769 1.868 3.565 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU HG 1 70 LEU MD2 2.157 . 2.738 2.559 1.968 3.057 0.319 18 0 "[ . 1 . 2]" 1
220 1 17 LEU HG 1 66 VAL HA 2.893 . 3.939 3.328 2.087 3.945 0.006 10 0 "[ . 1 . 2]" 1
221 1 17 LEU HG 1 69 LEU H 2.574 . 3.402 2.707 2.017 3.703 0.301 2 0 "[ . 1 . 2]" 1
222 1 17 LEU HG 1 66 VAL QG 4.655 3.774 6.536 3.642 2.069 4.670 1.705 12 3 "[ . - 1 + * 2]" 1
223 1 17 LEU HG 1 70 LEU MD1 2.426 . 3.162 3.281 2.289 3.536 0.374 4 0 "[ . 1 . 2]" 1
224 1 17 LEU HG 1 70 LEU MD2 2.662 . 3.547 2.604 1.972 3.152 . 0 0 "[ . 1 . 2]" 1
225 1 18 LYS H 1 18 LYS HA 2.563 . 3.384 2.834 2.815 2.852 . 0 0 "[ . 1 . 2]" 1
226 1 18 LYS H 1 18 LYS HB3 2.185 . 2.782 3.513 2.724 3.596 0.814 2 19 "[*+*** **-***********]" 1
227 1 18 LYS H 1 18 LYS HD3 2.647 . 6.000 4.130 3.764 4.601 . 0 0 "[ . 1 . 2]" 1
228 1 18 LYS H 1 18 LYS HG3 3.023 . 4.165 1.918 1.694 2.930 0.187 10 0 "[ . 1 . 2]" 1
229 1 18 LYS H 1 70 LEU MD1 3.154 . 4.398 3.855 3.140 4.736 0.338 18 0 "[ . 1 . 2]" 1
230 1 18 LYS H 1 70 LEU MD2 2.938 . 6.000 3.375 2.649 3.639 . 0 0 "[ . 1 . 2]" 1
231 1 18 LYS H 1 96 TRP HH2 2.657 . 6.000 4.324 4.175 4.561 . 0 0 "[ . 1 . 2]" 1
232 1 18 LYS HA 1 18 LYS HG3 2.457 . 3.212 3.367 3.016 3.611 0.399 6 0 "[ . 1 . 2]" 1
233 1 18 LYS HA 1 21 GLN HB3 4.567 . 5.390 5.023 4.691 5.337 . 0 0 "[ . 1 . 2]" 1
234 1 18 LYS HA 1 21 GLN HG3 2.327 . 3.004 2.362 1.849 3.492 0.488 1 0 "[ . 1 . 2]" 1
235 1 18 LYS HA 1 70 LEU MD2 2.808 . 3.793 2.995 2.812 3.203 . 0 0 "[ . 1 . 2]" 1
236 1 18 LYS HA 1 66 VAL QG 5.871 4.841 6.901 4.076 3.384 4.834 1.457 19 13 "[** -***** * ** *+2]" 1
237 1 18 LYS HB3 1 18 LYS HG3 2.068 . 2.603 2.412 2.324 2.652 0.049 1 0 "[ . 1 . 2]" 1
238 1 18 LYS HD3 1 19 ARG H 3.279 . 6.000 5.239 4.785 5.980 . 0 0 "[ . 1 . 2]" 1
239 1 19 ARG H 1 19 ARG HA 2.512 . 3.301 2.831 2.807 2.850 . 0 0 "[ . 1 . 2]" 1
240 1 19 ARG H 1 19 ARG HB3 2.212 . 6.000 3.517 3.481 3.562 . 0 0 "[ . 1 . 2]" 1
241 1 19 ARG H 1 19 ARG HD3 3.446 . 4.931 4.064 3.396 4.805 . 0 0 "[ . 1 . 2]" 1
242 1 19 ARG H 1 20 LEU QD 3.349 . 4.751 4.226 4.080 4.339 . 0 0 "[ . 1 . 2]" 1
243 1 19 ARG H 1 96 TRP HH2 2.728 . 6.000 4.545 4.428 4.676 . 0 0 "[ . 1 . 2]" 1
244 1 19 ARG HA 1 19 ARG HB3 1.974 . 2.461 2.546 2.502 2.599 0.138 5 0 "[ . 1 . 2]" 1
245 1 19 ARG HA 1 19 ARG HB3 2.042 . 2.563 2.515 2.478 2.568 0.005 5 0 "[ . 1 . 2]" 1
246 1 19 ARG HA 1 19 ARG HD3 2.505 . 3.290 2.195 1.844 2.935 . 0 0 "[ . 1 . 2]" 1
247 1 19 ARG HA 1 19 ARG HG3 2.364 . 3.062 2.733 2.191 2.883 . 0 0 "[ . 1 . 2]" 1
248 1 19 ARG HB3 1 19 ARG HD3 2.269 . 2.913 2.847 2.403 3.324 0.411 14 0 "[ . 1 . 2]" 1
249 1 19 ARG HB3 1 19 ARG HG3 2.217 . 2.832 2.517 2.335 2.768 . 0 0 "[ . 1 . 2]" 1
250 1 19 ARG HB3 1 20 LEU H 2.332 . 3.012 3.178 3.120 3.239 0.227 19 0 "[ . 1 . 2]" 1
251 1 19 ARG HD3 1 19 ARG HG3 2.100 . 2.651 2.993 2.982 3.006 0.355 17 0 "[ . 1 . 2]" 1
252 1 19 ARG HD3 1 19 ARG HG3 2.258 . 2.895 2.829 2.734 2.987 0.092 9 0 "[ . 1 . 2]" 1
253 1 19 ARG HG3 1 20 LEU H 3.114 . 6.000 4.747 4.592 4.921 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU H 1 20 LEU HA 2.796 . 3.773 2.909 2.892 2.925 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU H 1 20 LEU HB3 2.524 . 3.321 3.605 3.489 3.718 0.397 11 0 "[ . 1 . 2]" 1
256 1 20 LEU H 1 20 LEU QD 2.762 . 3.716 2.498 2.354 2.587 . 0 0 "[ . 1 . 2]" 1
257 1 20 LEU H 1 21 GLN H 2.501 . 3.283 2.973 2.851 3.089 . 0 0 "[ . 1 . 2]" 1
258 1 20 LEU H 1 96 TRP HH2 2.834 . 3.838 4.050 3.954 4.149 0.311 19 0 "[ . 1 . 2]" 1
259 1 20 LEU HA 1 20 LEU HB3 2.332 . 3.012 2.608 2.532 2.666 . 0 0 "[ . 1 . 2]" 1
260 1 20 LEU HA 1 20 LEU QD 2.501 . 3.283 2.617 1.821 2.834 . 0 0 "[ . 1 . 2]" 1
261 1 20 LEU HA 1 20 LEU HG 2.483 . 3.254 2.480 2.167 3.579 0.325 9 0 "[ . 1 . 2]" 1
262 1 20 LEU HA 1 21 GLN H 3.009 . 4.141 2.907 2.824 3.043 . 0 0 "[ . 1 . 2]" 1
263 1 20 LEU HA 1 22 PRO HD3 2.890 . 3.934 4.041 3.620 4.189 0.255 9 0 "[ . 1 . 2]" 1
264 1 20 LEU HA 1 23 GLU H 3.383 . 4.813 3.496 3.298 4.057 . 0 0 "[ . 1 . 2]" 1
265 1 20 LEU HB3 1 20 LEU QD 2.628 . 3.090 2.211 2.158 2.309 . 0 0 "[ . 1 . 2]" 1
266 1 20 LEU HB3 1 20 LEU HG 2.531 . 3.332 2.542 2.351 2.637 . 0 0 "[ . 1 . 2]" 1
267 1 20 LEU HB3 1 92 PHE HE1 2.933 . 4.008 2.477 2.005 2.918 . 0 0 "[ . 1 . 2]" 1
268 1 20 LEU QD 1 23 GLU HB3 2.707 . 4.623 3.368 3.054 3.755 . 0 0 "[ . 1 . 2]" 1
269 1 20 LEU QD 1 92 PHE HE1 2.892 . 3.937 2.766 2.342 3.546 . 0 0 "[ . 1 . 2]" 1
270 1 20 LEU QD 1 95 LEU HB3 2.569 . 3.394 2.590 2.068 3.826 0.432 4 0 "[ . 1 . 2]" 1
271 1 20 LEU QD 1 95 LEU QD 2.782 2.385 4.179 2.525 1.966 2.797 0.419 11 0 "[ . 1 . 2]" 1
272 1 20 LEU QD 1 96 TRP HA 2.785 . 3.754 2.502 2.196 3.299 . 0 0 "[ . 1 . 2]" 1
273 1 20 LEU QD 1 97 ILE MD 2.674 . 3.568 3.645 3.506 3.737 0.169 8 0 "[ . 1 . 2]" 1
274 1 21 GLN H 1 21 GLN HB3 2.924 . 3.993 3.568 3.083 3.628 . 0 0 "[ . 1 . 2]" 1
275 1 21 GLN H 1 21 GLN HG3 2.264 . 6.000 2.524 2.124 4.346 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLN H 1 22 PRO HD3 2.520 . 3.314 3.009 2.282 3.243 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLN H 1 23 GLU H 3.060 . 6.000 4.576 4.380 4.997 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLN HG3 1 66 VAL QG 4.490 3.715 5.265 3.584 3.192 4.622 0.523 18 1 "[ . 1 . + 2]" 1
279 1 22 PRO HA 1 22 PRO HB3 2.180 . 2.774 2.297 2.272 2.308 . 0 0 "[ . 1 . 2]" 1
280 1 22 PRO HA 1 22 PRO HD3 2.562 . 3.382 3.571 3.466 3.875 0.493 15 0 "[ . 1 . 2]" 1
281 1 22 PRO HA 1 25 LYS H 3.224 . 4.523 3.448 3.333 3.566 . 0 0 "[ . 1 . 2]" 1
282 1 22 PRO HA 1 25 LYS HD3 2.650 . 3.528 2.784 2.418 3.704 0.176 2 0 "[ . 1 . 2]" 1
283 1 22 PRO HA 1 25 LYS HG3 2.645 . 3.519 3.754 3.395 4.644 1.125 2 6 "[ + . * *1 *- *2]" 1
284 1 22 PRO HA 1 26 THR MG 2.755 . 3.704 3.753 3.579 3.906 0.202 9 0 "[ . 1 . 2]" 1
285 1 22 PRO HB3 1 22 PRO HD3 2.065 . 2.598 3.018 2.730 4.097 1.499 13 4 "[ .- * 1 + * 2]" 1
286 1 22 PRO HD3 1 22 PRO HG3 2.174 . 2.765 2.316 2.296 2.370 . 0 0 "[ . 1 . 2]" 1
287 1 22 PRO HD3 1 23 GLU H 3.285 . 4.634 3.834 3.609 3.948 . 0 0 "[ . 1 . 2]" 1
288 1 22 PRO HG3 1 23 GLU H 3.136 . 4.365 3.724 3.455 4.363 . 0 0 "[ . 1 . 2]" 1
289 1 23 GLU H 1 23 GLU HA 2.535 . 3.338 2.853 2.832 2.880 . 0 0 "[ . 1 . 2]" 1
290 1 23 GLU H 1 23 GLU HB3 2.376 . 3.082 3.605 3.580 3.630 0.548 3 19 "[**+*******-******* *]" 1
291 1 23 GLU H 1 24 PHE H 2.546 . 3.356 2.426 2.339 2.506 . 0 0 "[ . 1 . 2]" 1
292 1 23 GLU H 1 24 PHE HB3 3.383 . 4.814 4.854 4.815 4.891 0.077 15 0 "[ . 1 . 2]" 1
293 1 23 GLU H 1 25 LYS H 3.333 . 4.722 4.157 4.071 4.290 . 0 0 "[ . 1 . 2]" 1
294 1 23 GLU H 1 26 THR H 3.036 . 6.000 4.854 4.710 4.987 . 0 0 "[ . 1 . 2]" 1
295 1 23 GLU H 1 92 PHE HE1 3.392 . 4.831 4.043 3.843 4.337 . 0 0 "[ . 1 . 2]" 1
296 1 23 GLU HA 1 23 GLU HB3 2.693 . 3.599 2.477 2.399 2.549 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLU HA 1 23 GLU HB3 2.251 . 2.884 2.370 2.312 2.421 . 0 0 "[ . 1 . 2]" 1
298 1 23 GLU HA 1 23 GLU HG3 2.551 . 3.365 3.152 2.849 3.675 0.310 13 0 "[ . 1 . 2]" 1
299 1 23 GLU HA 1 24 PHE H 3.214 . 4.505 3.450 3.406 3.491 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLU HA 1 28 ILE H 3.358 . 4.768 4.911 4.735 5.022 0.254 11 0 "[ . 1 . 2]" 1
301 1 23 GLU HB3 1 95 LEU QD 2.501 . 3.283 2.308 2.081 2.548 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLU HG3 1 95 LEU QD 2.527 . 4.325 3.760 2.102 4.620 0.295 4 0 "[ . 1 . 2]" 1
303 1 24 PHE H 1 24 PHE HA 2.930 . 4.003 2.832 2.796 2.860 . 0 0 "[ . 1 . 2]" 1
304 1 24 PHE H 1 24 PHE HB3 2.702 . 3.614 2.684 2.632 2.735 . 0 0 "[ . 1 . 2]" 1
305 1 24 PHE H 1 24 PHE HD1 3.334 . 4.723 4.751 4.688 4.788 0.065 6 0 "[ . 1 . 2]" 1
306 1 24 PHE H 1 25 LYS H 2.864 . 3.889 2.621 2.554 2.733 . 0 0 "[ . 1 . 2]" 1
307 1 24 PHE H 1 92 PHE HE1 3.237 . 4.547 2.897 2.632 3.459 . 0 0 "[ . 1 . 2]" 1
308 1 24 PHE HA 1 24 PHE HB3 2.415 . 3.144 3.003 2.995 3.016 . 0 0 "[ . 1 . 2]" 1
309 1 24 PHE HA 1 24 PHE HD1 2.626 . 3.488 3.601 3.363 3.652 0.164 15 0 "[ . 1 . 2]" 1
310 1 24 PHE HA 1 25 LYS H 3.123 . 4.342 3.549 3.539 3.563 . 0 0 "[ . 1 . 2]" 1
311 1 24 PHE HA 1 27 ARG H 3.056 . 4.224 3.664 3.370 3.832 . 0 0 "[ . 1 . 2]" 1
312 1 24 PHE HA 1 28 ILE H 3.506 . 5.042 3.391 3.083 3.571 . 0 0 "[ . 1 . 2]" 1
313 1 24 PHE HA 1 28 ILE HG13 2.926 . 3.996 3.299 3.080 3.716 . 0 0 "[ . 1 . 2]" 1
314 1 24 PHE HA 1 92 PHE QD 2.952 . 4.041 3.525 3.288 3.896 . 0 0 "[ . 1 . 2]" 1
315 1 24 PHE HA 1 92 PHE HE1 2.738 . 3.675 2.921 2.573 3.332 . 0 0 "[ . 1 . 2]" 1
316 1 24 PHE HB3 1 24 PHE HD1 2.519 . 3.312 2.447 2.381 2.554 . 0 0 "[ . 1 . 2]" 1
317 1 24 PHE HB3 1 25 LYS H 2.805 . 3.789 2.290 2.236 2.349 . 0 0 "[ . 1 . 2]" 1
318 1 24 PHE HB3 1 25 LYS HA 2.688 . 3.591 3.782 3.749 3.831 0.240 13 0 "[ . 1 . 2]" 1
319 1 24 PHE HB3 1 66 VAL QG 4.893 . 5.939 2.889 2.463 3.794 . 0 0 "[ . 1 . 2]" 1
320 1 24 PHE HD1 1 25 LYS H 3.249 . 4.568 3.450 3.290 3.588 . 0 0 "[ . 1 . 2]" 1
321 1 24 PHE HD1 1 25 LYS HA 2.600 . 3.445 2.768 2.494 2.985 . 0 0 "[ . 1 . 2]" 1
322 1 24 PHE HD1 1 62 ALA MB 2.459 . 3.215 2.456 2.241 2.726 . 0 0 "[ . 1 . 2]" 1
323 1 24 PHE HD1 1 66 VAL QG 5.549 . 6.361 2.755 2.432 3.525 . 0 0 "[ . 1 . 2]" 1
324 1 24 PHE HE1 1 28 ILE MG 2.762 . 3.716 2.446 2.072 2.700 . 0 0 "[ . 1 . 2]" 1
325 1 24 PHE HE1 1 62 ALA HA 2.880 . 3.917 2.627 2.240 2.921 . 0 0 "[ . 1 . 2]" 1
326 1 24 PHE HE1 1 62 ALA MB 2.773 . 3.734 2.352 2.003 2.775 . 0 0 "[ . 1 . 2]" 1
327 1 24 PHE HE1 1 64 LYS H 3.454 . 6.000 5.844 5.428 6.071 0.071 15 0 "[ . 1 . 2]" 1
328 1 24 PHE HE1 1 65 LEU QD 2.551 . 3.364 2.421 1.997 2.857 . 0 0 "[ . 1 . 2]" 1
329 1 24 PHE HE1 1 66 VAL QG 5.588 . 6.425 2.937 2.624 3.993 . 0 0 "[ . 1 . 2]" 1
330 1 24 PHE HZ 1 65 LEU QD 2.563 . 3.348 1.887 1.610 2.769 0.132 4 0 "[ . 1 . 2]" 1
331 1 25 LYS H 1 25 LYS HA 2.821 . 3.816 2.796 2.776 2.822 . 0 0 "[ . 1 . 2]" 1
332 1 25 LYS H 1 25 LYS HB3 2.764 . 3.719 2.412 2.225 2.612 . 0 0 "[ . 1 . 2]" 1
333 1 25 LYS H 1 25 LYS HD3 3.247 . 4.565 4.676 4.418 4.998 0.433 2 0 "[ . 1 . 2]" 1
334 1 25 LYS H 1 25 LYS HG3 2.671 . 3.563 3.614 3.203 4.003 0.440 2 0 "[ . 1 . 2]" 1
335 1 25 LYS H 1 26 THR H 2.808 . 3.794 2.626 2.578 2.679 . 0 0 "[ . 1 . 2]" 1
336 1 25 LYS H 1 28 ILE H 3.016 . 6.000 4.826 4.745 4.929 . 0 0 "[ . 1 . 2]" 1
337 1 25 LYS HA 1 25 LYS HB3 2.017 . 2.525 2.212 2.152 2.259 . 0 0 "[ . 1 . 2]" 1
338 1 25 LYS HA 1 25 LYS HG3 2.710 . 3.628 3.687 3.571 3.766 0.138 10 0 "[ . 1 . 2]" 1
339 1 25 LYS HA 1 26 THR H 3.141 . 4.374 3.425 3.387 3.459 . 0 0 "[ . 1 . 2]" 1
340 1 25 LYS HA 1 27 ARG H 3.261 . 4.591 3.694 3.595 3.791 . 0 0 "[ . 1 . 2]" 1
341 1 25 LYS HA 1 59 MET HA 2.799 . 3.778 3.550 3.176 3.796 0.018 2 0 "[ . 1 . 2]" 1
342 1 25 LYS HA 1 62 ALA MB 1.878 . 2.319 1.997 1.787 2.226 . 0 0 "[ . 1 . 2]" 1
343 1 25 LYS HB3 1 25 LYS HG3 2.357 . 3.051 2.995 2.985 3.008 . 0 0 "[ . 1 . 2]" 1
344 1 25 LYS HB3 1 26 THR H 3.052 . 4.216 4.049 3.830 4.170 . 0 0 "[ . 1 . 2]" 1
345 1 25 LYS HB3 1 63 GLU HG3 2.477 . 3.244 3.489 2.994 4.732 1.488 19 4 "[ * . - 1 * +2]" 1
346 1 25 LYS HE3 1 59 MET ME 2.462 . 3.220 3.636 2.605 4.504 1.284 2 9 "[ + . * ** * - * **]" 1
347 1 25 LYS HG3 1 26 THR H 2.928 . 3.999 3.094 2.588 3.587 . 0 0 "[ . 1 . 2]" 1
348 1 25 LYS HG3 1 26 THR HA 2.827 . 3.826 3.398 2.907 3.749 . 0 0 "[ . 1 . 2]" 1
349 1 25 LYS HG3 1 26 THR MG 2.356 . 2.731 2.141 1.911 2.328 . 0 0 "[ . 1 . 2]" 1
350 1 26 THR H 1 26 THR HA 2.361 . 3.058 2.907 2.874 2.923 . 0 0 "[ . 1 . 2]" 1
351 1 26 THR H 1 26 THR MG 2.609 . 3.460 2.714 2.570 2.820 . 0 0 "[ . 1 . 2]" 1
352 1 26 THR H 1 27 ARG H 2.453 . 3.205 2.301 2.192 2.503 . 0 0 "[ . 1 . 2]" 1
353 1 26 THR H 1 27 ARG HA 3.233 . 6.000 4.988 4.897 5.116 . 0 0 "[ . 1 . 2]" 1
354 1 26 THR H 1 28 ILE H 3.444 . 4.927 3.565 3.486 3.754 . 0 0 "[ . 1 . 2]" 1
355 1 26 THR H 1 28 ILE HB 3.270 . 4.607 4.725 4.669 4.769 0.162 15 0 "[ . 1 . 2]" 1
356 1 26 THR HA 1 26 THR MG 1.828 . 2.246 1.927 1.899 1.954 . 0 0 "[ . 1 . 2]" 1
357 1 26 THR HA 1 26 THR MG 2.009 . 2.514 2.214 2.148 2.304 . 0 0 "[ . 1 . 2]" 1
358 1 26 THR HA 1 27 ARG H 2.572 . 3.399 3.520 3.466 3.546 0.147 18 0 "[ . 1 . 2]" 1
359 1 26 THR MG 1 27 ARG H 3.181 . 6.000 4.028 3.843 4.143 . 0 0 "[ . 1 . 2]" 1
360 1 26 THR MG 1 59 MET ME 2.076 . 2.614 2.375 1.880 2.748 0.134 18 0 "[ . 1 . 2]" 1
361 1 27 ARG H 1 27 ARG HA 2.632 . 3.498 2.918 2.855 2.943 . 0 0 "[ . 1 . 2]" 1
362 1 27 ARG H 1 27 ARG HB3 2.776 . 3.739 3.509 2.171 3.751 0.012 2 0 "[ . 1 . 2]" 1
363 1 27 ARG H 1 27 ARG HG3 2.829 . 3.829 2.971 2.270 4.172 0.343 16 0 "[ . 1 . 2]" 1
364 1 27 ARG H 1 28 ILE HB 3.313 . 4.685 4.274 4.043 4.629 . 0 0 "[ . 1 . 2]" 1
365 1 27 ARG HA 1 27 ARG HB3 2.180 . 2.774 2.461 2.348 3.002 0.228 15 0 "[ . 1 . 2]" 1
366 1 27 ARG HA 1 27 ARG HG3 2.539 . 3.345 3.491 2.775 3.997 0.652 18 5 "[ *. - * * . + 2]" 1
367 1 27 ARG HA 1 28 ILE H 2.793 . 3.768 3.443 3.369 3.481 . 0 0 "[ . 1 . 2]" 1
368 1 27 ARG HA 1 28 ILE HA 2.817 . 3.809 3.952 3.928 3.974 0.165 18 0 "[ . 1 . 2]" 1
369 1 27 ARG HB3 1 27 ARG HD3 2.320 . 2.993 2.678 2.232 4.173 1.180 15 2 "[ . 1 +- 2]" 1
370 1 27 ARG HB3 1 27 ARG HG3 2.317 . 2.988 2.842 2.566 3.005 0.017 9 0 "[ . 1 . 2]" 1
371 1 27 ARG HB3 1 28 ILE H 3.084 . 4.273 3.938 2.983 4.335 0.062 18 0 "[ . 1 . 2]" 1
372 1 27 ARG HD3 1 27 ARG HG3 2.527 . 3.325 2.363 2.168 2.687 . 0 0 "[ . 1 . 2]" 1
373 1 27 ARG HD3 1 92 PHE HA 4.769 . 5.727 4.135 3.170 5.796 0.069 11 0 "[ . 1 . 2]" 1
374 1 27 ARG HD3 1 92 PHE HB3 5.501 . 6.283 5.565 4.319 6.761 0.478 10 0 "[ . 1 . 2]" 1
375 1 27 ARG HD3 1 92 PHE QD 2.819 . 3.812 4.293 3.675 5.143 1.331 2 9 "[ + .- * ** **.* *2]" 1
376 1 27 ARG HG3 1 28 ILE H 2.987 . 4.102 4.328 3.679 4.940 0.838 11 6 "[ ** * 1+ - . *]" 1
377 1 28 ILE H 1 28 ILE HA 2.804 . 3.787 2.883 2.839 2.909 . 0 0 "[ . 1 . 2]" 1
378 1 28 ILE H 1 28 ILE HB 2.306 . 2.970 2.349 2.252 2.395 . 0 0 "[ . 1 . 2]" 1
379 1 28 ILE H 1 28 ILE MD 2.859 . 6.000 3.099 2.969 3.293 . 0 0 "[ . 1 . 2]" 1
380 1 28 ILE H 1 28 ILE HG13 2.734 . 6.000 4.104 4.027 4.244 . 0 0 "[ . 1 . 2]" 1
381 1 28 ILE H 1 28 ILE MG 2.723 . 6.000 3.691 3.648 3.723 . 0 0 "[ . 1 . 2]" 1
382 1 28 ILE H 1 29 ILE H 3.117 . 6.000 4.398 4.311 4.507 . 0 0 "[ . 1 . 2]" 1
383 1 28 ILE HA 1 28 ILE HB 2.459 . 3.215 3.009 2.983 3.019 . 0 0 "[ . 1 . 2]" 1
384 1 28 ILE HA 1 28 ILE MD 2.270 . 2.914 1.842 1.753 1.868 . 0 0 "[ . 1 . 2]" 1
385 1 28 ILE HA 1 28 ILE HG13 2.764 . 3.719 3.479 3.372 3.520 . 0 0 "[ . 1 . 2]" 1
386 1 28 ILE HA 1 28 ILE MG 2.330 . 3.009 2.399 2.348 2.453 . 0 0 "[ . 1 . 2]" 1
387 1 28 ILE HA 1 29 ILE H 2.329 . 3.007 2.111 2.055 2.142 . 0 0 "[ . 1 . 2]" 1
388 1 28 ILE HA 1 29 ILE MG 2.641 . 3.513 3.029 2.794 3.170 . 0 0 "[ . 1 . 2]" 1
389 1 28 ILE HA 1 33 ILE MG 2.561 . 3.381 3.310 3.206 3.403 0.022 3 0 "[ . 1 . 2]" 1
390 1 28 ILE HB 1 28 ILE MD 2.774 . 3.736 3.180 3.122 3.220 . 0 0 "[ . 1 . 2]" 1
391 1 28 ILE HB 1 28 ILE HG13 2.826 . 3.824 2.625 2.581 2.722 . 0 0 "[ . 1 . 2]" 1
392 1 28 ILE HB 1 28 ILE MG 2.216 . 2.830 2.089 2.065 2.133 . 0 0 "[ . 1 . 2]" 1
393 1 28 ILE HB 1 33 ILE MG 2.757 . 3.707 3.884 3.733 4.083 0.376 8 0 "[ . 1 . 2]" 1
394 1 28 ILE HB 1 62 ALA MB 2.559 . 3.378 2.395 2.231 2.593 . 0 0 "[ . 1 . 2]" 1
395 1 28 ILE MD 1 29 ILE H 3.418 . 4.878 3.331 3.007 3.454 . 0 0 "[ . 1 . 2]" 1
396 1 28 ILE MD 1 33 ILE MD 2.705 . 3.619 3.284 3.090 3.400 . 0 0 "[ . 1 . 2]" 1
397 1 28 ILE MD 1 33 ILE MG 1.995 . 2.492 2.007 1.820 2.223 . 0 0 "[ . 1 . 2]" 1
398 1 28 ILE MD 1 92 PHE HB3 2.993 . 4.112 2.591 2.400 2.746 . 0 0 "[ . 1 . 2]" 1
399 1 28 ILE HG13 1 28 ILE MG 2.621 . 3.480 2.067 2.017 2.250 . 0 0 "[ . 1 . 2]" 1
400 1 28 ILE HG13 1 33 ILE MD 2.712 . 3.631 3.725 3.576 3.771 0.140 2 0 "[ . 1 . 2]" 1
401 1 28 ILE HG13 1 33 ILE MG 2.559 . 3.378 3.290 2.846 3.438 0.060 20 0 "[ . 1 . 2]" 1
402 1 28 ILE MG 1 29 ILE H 2.792 . 3.767 2.902 2.377 3.181 . 0 0 "[ . 1 . 2]" 1
403 1 28 ILE MG 1 30 PRO HA 2.597 . 3.440 2.889 2.713 3.061 . 0 0 "[ . 1 . 2]" 1
404 1 28 ILE MG 1 33 ILE MD 2.326 . 3.003 1.754 1.703 1.845 . 0 0 "[ . 1 . 2]" 1
405 1 28 ILE MG 1 62 ALA HA 3.031 . 4.180 3.196 2.681 3.521 . 0 0 "[ . 1 . 2]" 1
406 1 29 ILE H 1 29 ILE HB 2.674 . 3.568 2.380 2.315 2.472 . 0 0 "[ . 1 . 2]" 1
407 1 29 ILE H 1 29 ILE MD 2.977 . 4.085 3.395 3.182 3.914 . 0 0 "[ . 1 . 2]" 1
408 1 29 ILE H 1 29 ILE HG13 3.029 . 4.176 4.089 3.971 4.234 0.058 4 0 "[ . 1 . 2]" 1
409 1 29 ILE H 1 29 ILE MG 3.173 . 4.431 3.698 3.661 3.748 . 0 0 "[ . 1 . 2]" 1
410 1 29 ILE H 1 30 PRO HD3 3.206 . 4.490 4.399 3.986 4.501 0.011 3 0 "[ . 1 . 2]" 1
411 1 29 ILE HA 1 29 ILE MD 2.343 . 3.029 1.873 1.792 1.957 . 0 0 "[ . 1 . 2]" 1
412 1 29 ILE HA 1 29 ILE HG13 2.716 . 3.638 3.572 3.502 3.642 0.004 4 0 "[ . 1 . 2]" 1
413 1 29 ILE HA 1 29 ILE MG 2.228 . 2.849 2.440 2.355 2.503 . 0 0 "[ . 1 . 2]" 1
414 1 29 ILE HA 1 30 PRO HD3 2.271 . 2.916 2.316 2.133 2.394 . 0 0 "[ . 1 . 2]" 1
415 1 29 ILE HA 1 31 THR H 3.451 . 4.940 3.637 3.556 3.736 . 0 0 "[ . 1 . 2]" 1
416 1 29 ILE HB 1 29 ILE HG13 2.479 . 3.247 2.549 2.418 2.584 . 0 0 "[ . 1 . 2]" 1
417 1 29 ILE HB 1 31 THR H 3.165 . 4.417 4.027 3.784 4.276 . 0 0 "[ . 1 . 2]" 1
418 1 29 ILE HB 1 32 ASP H 3.224 . 4.523 3.338 2.892 3.635 . 0 0 "[ . 1 . 2]" 1
419 1 29 ILE MD 1 29 ILE HG13 2.205 . 2.813 2.086 2.078 2.098 . 0 0 "[ . 1 . 2]" 1
420 1 29 ILE MD 1 29 ILE MG 1.851 . 2.279 2.178 2.061 2.216 . 0 0 "[ . 1 . 2]" 1
421 1 29 ILE MD 1 30 PRO HD3 2.800 . 3.780 3.426 3.277 3.519 . 0 0 "[ . 1 . 2]" 1
422 1 29 ILE MD 1 32 ASP H 4.032 . 5.181 3.978 3.857 4.109 . 0 0 "[ . 1 . 2]" 1
423 1 29 ILE MD 1 58 MET ME 2.467 . 3.227 2.693 2.063 3.333 0.106 15 0 "[ . 1 . 2]" 1
424 1 29 ILE MD 1 58 MET HG3 2.842 . 3.852 2.362 2.019 3.453 . 0 0 "[ . 1 . 2]" 1
425 1 29 ILE HG13 1 29 ILE MG 2.278 . 2.927 2.137 2.090 2.314 . 0 0 "[ . 1 . 2]" 1
426 1 29 ILE MG 1 31 THR H 2.536 . 3.340 1.953 1.839 2.079 . 0 0 "[ . 1 . 2]" 1
427 1 29 ILE MG 1 31 THR MG 2.186 . 2.783 2.540 2.087 2.865 0.082 8 0 "[ . 1 . 2]" 1
428 1 29 ILE MG 1 32 ASP H 3.261 . 3.267 2.036 1.906 2.164 0.026 8 0 "[ . 1 . 2]" 1
429 1 29 ILE MG 1 58 MET ME 2.044 . 2.566 2.253 1.892 2.780 0.214 15 0 "[ . 1 . 2]" 1
430 1 30 PRO HA 1 30 PRO HB3 2.203 . 2.810 2.280 2.235 2.349 . 0 0 "[ . 1 . 2]" 1
431 1 30 PRO HA 1 31 THR H 2.502 . 3.284 3.134 3.112 3.168 . 0 0 "[ . 1 . 2]" 1
432 1 30 PRO HA 1 33 ILE H 2.985 . 4.099 3.921 3.729 4.175 0.076 18 0 "[ . 1 . 2]" 1
433 1 30 PRO HA 1 34 ILE HB 2.277 . 2.925 2.420 2.389 2.454 . 0 0 "[ . 1 . 2]" 1
434 1 30 PRO HA 1 34 ILE MG 2.992 . 4.111 4.024 3.858 4.199 0.088 4 0 "[ . 1 . 2]" 1
435 1 30 PRO HA 1 65 LEU QD 2.507 . 3.293 2.268 2.063 2.720 . 0 0 "[ . 1 . 2]" 1
436 1 30 PRO HB3 1 31 THR H 2.726 . 3.655 3.996 3.831 4.144 0.489 9 0 "[ . 1 . 2]" 1
437 1 30 PRO HB3 1 31 THR MG 2.761 . 3.714 4.088 3.854 4.371 0.657 9 7 "[ * - *+1 * * *2]" 1
438 1 30 PRO HB3 1 49 ILE MG 2.567 . 3.391 2.439 1.773 2.741 . 0 0 "[ . 1 . 2]" 1
439 1 30 PRO HB3 1 62 ALA HA 2.948 . 4.034 2.482 2.112 4.089 0.055 18 0 "[ . 1 . 2]" 1
440 1 30 PRO HB3 1 65 LEU QD 5.409 4.683 6.135 2.507 1.977 3.029 2.706 9 20 [********+*****-*****] 1
441 1 30 PRO HD3 1 30 PRO HG3 2.833 . 3.837 2.300 2.240 2.320 . 0 0 "[ . 1 . 2]" 1
442 1 30 PRO HD3 1 31 THR H 3.329 . 4.714 4.104 3.997 4.248 . 0 0 "[ . 1 . 2]" 1
443 1 30 PRO HD3 1 62 ALA HA 2.888 . 3.931 3.811 3.544 4.003 0.072 18 0 "[ . 1 . 2]" 1
444 1 30 PRO HD3 1 62 ALA MB 2.627 . 3.490 2.238 2.060 2.619 . 0 0 "[ . 1 . 2]" 1
445 1 31 THR H 1 31 THR HA 2.972 . 4.076 2.904 2.876 2.924 . 0 0 "[ . 1 . 2]" 1
446 1 31 THR H 1 31 THR MG 2.338 . 3.021 2.025 1.807 2.370 . 0 0 "[ . 1 . 2]" 1
447 1 31 THR H 1 32 ASP H 2.561 . 3.381 2.245 2.151 2.382 . 0 0 "[ . 1 . 2]" 1
448 1 31 THR H 1 50 LEU MD2 3.022 . 6.000 4.507 3.608 5.135 . 0 0 "[ . 1 . 2]" 1
449 1 31 THR HA 1 31 THR HB 1.998 . 2.497 2.345 2.267 2.409 . 0 0 "[ . 1 . 2]" 1
450 1 31 THR HA 1 32 ASP H 3.048 . 4.209 3.401 3.356 3.463 . 0 0 "[ . 1 . 2]" 1
451 1 31 THR HA 1 34 ILE MG 2.149 . 2.726 2.192 1.874 2.456 . 0 0 "[ . 1 . 2]" 1
452 1 31 THR HB 1 31 THR MG 1.984 . 2.476 2.104 2.071 2.138 . 0 0 "[ . 1 . 2]" 1
453 1 31 THR HB 1 32 ASP H 2.826 . 6.000 4.315 4.216 4.430 . 0 0 "[ . 1 . 2]" 1
454 1 31 THR HB 1 50 LEU MD1 2.689 . 3.593 2.878 2.333 3.666 0.073 18 0 "[ . 1 . 2]" 1
455 1 31 THR MG 1 50 LEU HA 2.688 . 3.591 3.353 3.007 3.647 0.056 20 0 "[ . 1 . 2]" 1
456 1 31 THR MG 1 50 LEU QD 1.966 . 2.449 2.052 1.853 2.384 . 0 0 "[ . 1 . 2]" 1
457 1 31 THR MG 1 53 CYS H 3.473 . 4.980 4.247 4.049 4.405 . 0 0 "[ . 1 . 2]" 1
458 1 31 THR MG 1 53 CYS HB3 2.886 . 3.927 3.057 2.562 3.588 . 0 0 "[ . 1 . 2]" 1
459 1 31 THR MG 1 58 MET ME 2.012 . 2.518 1.841 1.673 2.164 . 0 0 "[ . 1 . 2]" 1
460 1 32 ASP H 1 32 ASP HA 2.708 . 3.625 2.915 2.870 2.943 . 0 0 "[ . 1 . 2]" 1
461 1 32 ASP H 1 32 ASP HB3 2.271 . 2.916 3.371 2.883 3.781 0.865 5 6 "[ * + 1 ** * -]" 1
462 1 32 ASP H 1 33 ILE H 2.443 . 3.189 2.647 2.503 2.803 . 0 0 "[ . 1 . 2]" 1
463 1 32 ASP H 1 33 ILE HA 2.952 . 6.000 5.170 5.035 5.307 . 0 0 "[ . 1 . 2]" 1
464 1 32 ASP H 1 34 ILE H 2.872 . 3.903 3.527 3.425 3.660 . 0 0 "[ . 1 . 2]" 1
465 1 32 ASP H 1 34 ILE HB 3.227 . 4.528 4.664 4.570 4.751 0.223 4 0 "[ . 1 . 2]" 1
466 1 32 ASP HA 1 32 ASP HB3 2.362 . 3.059 2.702 2.405 2.998 . 0 0 "[ . 1 . 2]" 1
467 1 32 ASP HA 1 33 ILE H 3.356 . 4.764 3.605 3.581 3.627 . 0 0 "[ . 1 . 2]" 1
468 1 32 ASP HA 1 36 ASP H 3.432 . 6.000 5.879 5.283 6.112 0.112 10 0 "[ . 1 . 2]" 1
469 1 32 ASP HB3 1 33 ILE H 2.801 . 3.782 2.700 2.192 3.372 . 0 0 "[ . 1 . 2]" 1
470 1 32 ASP HB3 1 33 ILE MG 2.552 . 3.366 3.271 2.864 4.047 0.681 5 3 "[ - + 1 *. 2]" 1
471 1 32 ASP HB3 1 88 GLU HB3 2.780 . 3.746 3.759 2.765 4.720 0.974 7 3 "[* . + 1 - . 2]" 1
472 1 33 ILE H 1 33 ILE HB 2.793 . 3.768 3.685 3.659 3.706 . 0 0 "[ . 1 . 2]" 1
473 1 33 ILE H 1 33 ILE MD 2.695 . 3.603 1.905 1.834 2.011 0.090 18 0 "[ . 1 . 2]" 1
474 1 33 ILE H 1 33 ILE HG13 2.915 . 3.977 3.933 3.883 4.033 0.056 1 0 "[ . 1 . 2]" 1
475 1 33 ILE H 1 33 ILE MG 2.843 . 3.853 2.140 1.994 2.233 . 0 0 "[ . 1 . 2]" 1
476 1 33 ILE H 1 34 ILE H 2.355 . 3.048 2.590 2.511 2.677 . 0 0 "[ . 1 . 2]" 1
477 1 33 ILE HA 1 33 ILE HB 2.227 . 2.847 2.344 2.319 2.367 . 0 0 "[ . 1 . 2]" 1
478 1 33 ILE HA 1 33 ILE MD 2.499 . 3.280 3.489 3.454 3.512 0.232 4 0 "[ . 1 . 2]" 1
479 1 33 ILE HA 1 33 ILE MG 2.552 . 3.366 2.458 2.388 2.533 . 0 0 "[ . 1 . 2]" 1
480 1 33 ILE HA 1 34 ILE H 3.120 . 4.337 3.365 3.339 3.388 . 0 0 "[ . 1 . 2]" 1
481 1 33 ILE HA 1 35 SER HB3 2.786 . 3.756 4.231 3.830 4.746 0.990 20 11 "[* *.* **1*** - *+]" 1
482 1 33 ILE HA 1 84 ALA MB 2.800 . 3.780 1.788 1.676 1.878 0.144 10 0 "[ . 1 . 2]" 1
483 1 33 ILE HB 1 33 ILE MG 2.246 . 2.876 2.105 2.096 2.114 . 0 0 "[ . 1 . 2]" 1
484 1 33 ILE HB 1 84 ALA H 4.064 2.929 5.563 4.656 4.484 4.967 . 0 0 "[ . 1 . 2]" 1
485 1 33 ILE HB 1 84 ALA MB 2.647 . 2.950 2.348 2.050 2.521 . 0 0 "[ . 1 . 2]" 1
486 1 33 ILE HB 1 85 LEU H 3.177 . 6.000 4.636 4.422 4.805 . 0 0 "[ . 1 . 2]" 1
487 1 33 ILE MD 1 33 ILE MG 1.818 . 2.231 1.728 1.683 1.778 . 0 0 "[ . 1 . 2]" 1
488 1 33 ILE MD 1 34 ILE H 2.640 . 3.511 1.920 1.864 2.024 . 0 0 "[ . 1 . 2]" 1
489 1 33 ILE MD 1 34 ILE H 3.382 . 4.812 1.924 1.867 2.031 0.085 13 0 "[ . 1 . 2]" 1
490 1 33 ILE MD 1 34 ILE HA 2.796 . 3.774 3.320 3.121 3.447 . 0 0 "[ . 1 . 2]" 1
491 1 33 ILE MD 1 34 ILE MG 4.577 . 6.407 3.297 3.166 3.501 . 0 0 "[ . 1 . 2]" 1
492 1 33 ILE MD 1 35 SER H 3.296 . 4.654 3.811 3.492 4.030 . 0 0 "[ . 1 . 2]" 1
493 1 33 ILE HG13 1 34 ILE HA 4.391 . 5.105 4.785 4.546 4.952 . 0 0 "[ . 1 . 2]" 1
494 1 33 ILE HG13 1 34 ILE HB 5.612 . 6.465 5.331 4.990 5.548 . 0 0 "[ . 1 . 2]" 1
495 1 33 ILE MG 1 84 ALA MB 2.089 . 2.635 2.108 1.889 2.216 . 0 0 "[ . 1 . 2]" 1
496 1 33 ILE MG 1 85 LEU QD 2.216 . 2.830 1.725 1.627 1.906 . 0 0 "[ . 1 . 2]" 1
497 1 34 ILE H 1 34 ILE HA 2.437 . 3.179 2.773 2.740 2.801 . 0 0 "[ . 1 . 2]" 1
498 1 34 ILE H 1 34 ILE HB 2.264 . 2.905 2.409 2.262 2.511 . 0 0 "[ . 1 . 2]" 1
499 1 34 ILE H 1 34 ILE MD 2.410 . 3.136 2.189 2.028 2.506 . 0 0 "[ . 1 . 2]" 1
500 1 34 ILE H 1 35 SER H 3.125 . 4.345 2.705 2.544 2.849 . 0 0 "[ . 1 . 2]" 1
501 1 34 ILE H 1 37 LEU HB3 2.951 . 4.040 4.266 4.189 4.372 0.332 20 0 "[ . 1 . 2]" 1
502 1 34 ILE H 1 65 LEU HB3 3.344 . 4.742 4.486 4.239 4.796 0.054 18 0 "[ . 1 . 2]" 1
503 1 34 ILE H 1 65 LEU QD 2.453 . 6.000 3.425 3.172 3.653 . 0 0 "[ . 1 . 2]" 1
504 1 34 ILE HA 1 34 ILE HB 2.158 . 2.740 2.479 2.431 2.577 . 0 0 "[ . 1 . 2]" 1
505 1 34 ILE HA 1 34 ILE MD 2.217 . 2.831 2.161 2.000 2.746 . 0 0 "[ . 1 . 2]" 1
506 1 34 ILE HA 1 34 ILE MD 2.143 . 2.717 1.923 1.832 2.018 . 0 0 "[ . 1 . 2]" 1
507 1 34 ILE HA 1 36 ASP H 3.264 . 4.595 4.505 4.266 4.652 0.057 19 0 "[ . 1 . 2]" 1
508 1 34 ILE HA 1 37 LEU H 2.952 . 4.041 3.482 3.318 3.721 . 0 0 "[ . 1 . 2]" 1
509 1 34 ILE HA 1 37 LEU HB3 2.584 . 3.419 2.127 1.878 2.307 . 0 0 "[ . 1 . 2]" 1
510 1 34 ILE HA 1 37 LEU MD2 1.969 . 2.453 2.253 1.973 2.767 0.314 7 0 "[ . 1 . 2]" 1
511 1 34 ILE HB 1 34 ILE MD 2.062 . 2.594 2.355 2.215 2.434 . 0 0 "[ . 1 . 2]" 1
512 1 34 ILE HB 1 34 ILE MD 1.997 . 2.496 1.955 1.900 1.976 . 0 0 "[ . 1 . 2]" 1
513 1 34 ILE HB 1 34 ILE HG13 2.433 . 3.173 3.009 2.911 3.032 . 0 0 "[ . 1 . 2]" 1
514 1 34 ILE MD 1 46 CYS H 3.289 . 4.641 4.053 3.783 4.582 . 0 0 "[ . 1 . 2]" 1
515 1 34 ILE MD 1 65 LEU HG 2.665 . 3.553 3.260 2.656 3.706 0.153 20 0 "[ . 1 . 2]" 1
516 1 34 ILE MG 1 35 SER H 2.655 . 3.536 2.151 1.914 2.364 . 0 0 "[ . 1 . 2]" 1
517 1 34 ILE MG 1 35 SER H 2.914 . 3.976 2.133 1.906 2.334 . 0 0 "[ . 1 . 2]" 1
518 1 35 SER H 1 35 SER HA 2.596 . 3.439 2.835 2.827 2.843 . 0 0 "[ . 1 . 2]" 1
519 1 35 SER H 1 35 SER HB3 2.271 . 2.916 3.148 2.502 3.590 0.674 15 11 "[* *.* **1*** + *-]" 1
520 1 35 SER H 1 36 ASP H 2.446 . 3.194 2.635 2.577 2.735 . 0 0 "[ . 1 . 2]" 1
521 1 35 SER H 1 37 LEU H 2.777 . 6.000 3.876 3.725 3.989 . 0 0 "[ . 1 . 2]" 1
522 1 35 SER H 1 38 SER H 3.052 . 4.216 4.314 4.227 4.388 0.172 14 0 "[ . 1 . 2]" 1
523 1 35 SER HA 1 36 ASP H 2.899 . 3.949 3.535 3.507 3.565 . 0 0 "[ . 1 . 2]" 1
524 1 35 SER HA 1 36 ASP H 3.284 . 4.632 3.441 3.375 3.492 . 0 0 "[ . 1 . 2]" 1
525 1 35 SER HA 1 38 SER H 2.927 . 3.998 3.500 3.291 3.770 . 0 0 "[ . 1 . 2]" 1
526 1 35 SER HA 1 39 GLU H 3.472 . 4.979 5.160 5.047 5.270 0.291 7 0 "[ . 1 . 2]" 1
527 1 35 SER HB3 1 36 ASP H 2.541 . 3.348 3.161 2.370 3.877 0.529 20 2 "[ -. 1 . +]" 1
528 1 35 SER HB3 1 36 ASP HB3 2.560 . 3.379 3.896 3.422 4.851 1.472 11 7 "[ - ** 1+ *. * *]" 1
529 1 36 ASP H 1 36 ASP HA 2.423 . 3.157 2.852 2.833 2.896 . 0 0 "[ . 1 . 2]" 1
530 1 36 ASP H 1 36 ASP HB3 2.605 . 3.453 3.129 2.697 3.568 0.115 7 0 "[ . 1 . 2]" 1
531 1 36 ASP H 1 37 LEU H 2.392 . 3.107 2.404 1.988 2.499 . 0 0 "[ . 1 . 2]" 1
532 1 36 ASP H 1 37 LEU HB3 3.211 . 4.500 4.133 3.817 4.239 . 0 0 "[ . 1 . 2]" 1
533 1 36 ASP H 1 37 LEU HG 3.074 . 6.000 6.055 5.969 6.321 0.321 7 0 "[ . 1 . 2]" 1
534 1 36 ASP H 1 84 ALA H 3.064 . 6.000 5.978 5.481 6.140 0.140 6 0 "[ . 1 . 2]" 1
535 1 36 ASP HA 1 36 ASP HB3 2.229 . 2.850 2.811 2.516 3.023 0.173 15 0 "[ . 1 . 2]" 1
536 1 36 ASP HA 1 37 LEU H 2.827 . 3.826 3.491 3.400 3.523 . 0 0 "[ . 1 . 2]" 1
537 1 36 ASP HA 1 39 GLU H 2.827 . 3.826 3.896 3.756 3.998 0.172 18 0 "[ . 1 . 2]" 1
538 1 36 ASP HA 1 40 CYS H 2.771 . 6.000 4.548 4.466 4.674 . 0 0 "[ . 1 . 2]" 1
539 1 36 ASP HB3 1 84 ALA HA 2.815 . 3.805 3.737 3.066 4.016 0.211 13 0 "[ . 1 . 2]" 1
540 1 36 ASP HB3 1 84 ALA MB 2.505 . 3.290 2.466 1.838 3.242 . 0 0 "[ . 1 . 2]" 1
541 1 37 LEU H 1 37 LEU HA 2.290 . 2.945 2.798 2.777 2.837 . 0 0 "[ . 1 . 2]" 1
542 1 37 LEU H 1 37 LEU MD1 2.535 . 6.000 4.282 4.039 4.340 . 0 0 "[ . 1 . 2]" 1
543 1 37 LEU HA 1 37 LEU HB3 2.447 . 3.195 2.954 2.935 3.006 . 0 0 "[ . 1 . 2]" 1
544 1 37 LEU HA 1 39 GLU H 3.321 . 4.699 3.648 3.498 3.779 . 0 0 "[ . 1 . 2]" 1
545 1 37 LEU HB3 1 37 LEU MD2 2.346 . 3.034 2.195 2.107 2.332 . 0 0 "[ . 1 . 2]" 1
546 1 37 LEU HB3 1 38 SER H 2.918 . 3.982 2.543 2.364 2.663 . 0 0 "[ . 1 . 2]" 1
547 1 37 LEU QD 1 38 SER H 2.954 . 4.045 3.471 2.753 3.613 . 0 0 "[ . 1 . 2]" 1
548 1 37 LEU QD 1 40 CYS H 3.389 . 4.825 3.271 3.051 3.787 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU QD 1 42 ILE H 3.238 . 4.548 4.686 4.598 4.764 0.216 8 0 "[ . 1 . 2]" 1
550 1 37 LEU MD1 1 37 LEU HG 2.118 . 2.679 2.118 2.109 2.132 . 0 0 "[ . 1 . 2]" 1
551 1 37 LEU MD1 1 40 CYS H 3.493 . 5.018 3.386 3.066 5.693 0.675 7 1 "[ . + 1 . 2]" 1
552 1 37 LEU MD1 1 41 LEU H 3.052 . 4.216 2.903 2.565 5.184 0.968 7 1 "[ . + 1 . 2]" 1
553 1 37 LEU MD1 1 41 LEU H 2.662 . 3.548 2.819 2.546 4.137 0.589 7 1 "[ . + 1 . 2]" 1
554 1 37 LEU MD1 1 41 LEU MD2 1.984 . 2.476 2.505 2.103 3.125 0.649 7 1 "[ . + 1 . 2]" 1
555 1 37 LEU MD1 1 69 LEU HA 2.864 . 3.889 3.242 2.791 3.650 . 0 0 "[ . 1 . 2]" 1
556 1 37 LEU MD2 1 69 LEU QD 2.236 . 2.861 1.652 1.427 1.835 0.184 8 0 "[ . 1 . 2]" 1
557 1 37 LEU MD2 1 69 LEU QD 2.336 . 3.018 1.904 1.565 3.324 0.306 7 0 "[ . 1 . 2]" 1
558 1 37 LEU HG 1 40 CYS H 3.172 . 4.430 4.481 4.375 4.584 0.154 14 0 "[ . 1 . 2]" 1
559 1 37 LEU HG 1 41 LEU H 2.829 . 3.829 3.704 3.415 4.057 0.228 7 0 "[ . 1 . 2]" 1
560 1 37 LEU HG 1 41 LEU MD2 4.543 . 5.351 2.844 2.607 4.015 . 0 0 "[ . 1 . 2]" 1
561 1 38 SER H 1 38 SER HB3 2.946 . 4.031 2.644 2.535 2.777 . 0 0 "[ . 1 . 2]" 1
562 1 38 SER H 1 39 GLU H 2.545 . 3.355 2.879 2.774 2.946 . 0 0 "[ . 1 . 2]" 1
563 1 38 SER H 1 40 CYS H 2.852 . 6.000 4.363 4.228 4.539 . 0 0 "[ . 1 . 2]" 1
564 1 38 SER H 1 41 LEU H 3.206 . 4.491 4.453 4.367 4.542 0.051 19 0 "[ . 1 . 2]" 1
565 1 38 SER H 1 41 LEU QD 3.472 . 4.979 4.679 4.403 5.076 0.097 7 0 "[ . 1 . 2]" 1
566 1 38 SER HA 1 39 GLU H 2.736 . 3.671 3.081 2.836 3.321 . 0 0 "[ . 1 . 2]" 1
567 1 38 SER HA 1 40 CYS H 2.984 . 4.097 3.673 3.311 4.109 0.012 15 0 "[ . 1 . 2]" 1
568 1 38 SER HA 1 41 LEU H 2.884 . 3.924 2.719 2.502 3.016 . 0 0 "[ . 1 . 2]" 1
569 1 38 SER HA 1 41 LEU QD 3.011 . 4.144 3.589 3.337 3.967 . 0 0 "[ . 1 . 2]" 1
570 1 38 SER HB3 1 46 CYS HA 4.746 . 5.688 6.440 4.945 7.517 1.829 9 12 "[ *-***+1*** * * *]" 1
571 1 39 GLU H 1 39 GLU HA 2.675 . 3.569 2.849 2.817 2.875 . 0 0 "[ . 1 . 2]" 1
572 1 39 GLU H 1 39 GLU HG3 2.838 . 3.845 2.823 2.306 3.879 0.034 18 0 "[ . 1 . 2]" 1
573 1 39 GLU H 1 40 CYS H 2.407 . 3.131 2.590 2.467 2.671 . 0 0 "[ . 1 . 2]" 1
574 1 39 GLU H 1 41 LEU H 3.258 . 4.585 3.762 3.667 3.867 . 0 0 "[ . 1 . 2]" 1
575 1 39 GLU HA 1 39 GLU HB3 2.580 . 3.412 2.544 2.430 2.743 . 0 0 "[ . 1 . 2]" 1
576 1 39 GLU HA 1 39 GLU HG3 2.399 . 3.119 3.211 2.920 3.808 0.689 12 3 "[ .- *1 + . 2]" 1
577 1 39 GLU HA 1 40 CYS H 2.893 . 3.939 3.449 3.335 3.544 . 0 0 "[ . 1 . 2]" 1
578 1 39 GLU HA 1 41 LEU H 3.171 . 4.428 4.487 4.404 4.577 0.149 7 0 "[ . 1 . 2]" 1
579 1 39 GLU HB3 1 40 CYS H 2.932 . 4.007 3.878 3.567 4.027 0.020 11 0 "[ . 1 . 2]" 1
580 1 40 CYS H 1 40 CYS HA 2.596 . 3.438 2.938 2.920 2.949 . 0 0 "[ . 1 . 2]" 1
581 1 40 CYS H 1 40 CYS HB3 2.639 . 6.000 3.319 2.312 3.720 . 0 0 "[ . 1 . 2]" 1
582 1 40 CYS H 1 41 LEU H 2.152 . 2.731 1.977 1.833 2.157 . 0 0 "[ . 1 . 2]" 1
583 1 40 CYS H 1 41 LEU HB3 3.353 . 4.758 4.394 4.120 4.619 . 0 0 "[ . 1 . 2]" 1
584 1 40 CYS HA 1 40 CYS HB3 2.355 . 3.048 2.480 2.258 2.723 . 0 0 "[ . 1 . 2]" 1
585 1 40 CYS HA 1 40 CYS HB3 2.350 . 3.041 2.423 2.246 2.506 . 0 0 "[ . 1 . 2]" 1
586 1 40 CYS HA 1 41 LEU H 2.782 . 3.749 3.460 3.430 3.486 . 0 0 "[ . 1 . 2]" 1
587 1 40 CYS HA 1 74 LYS HG3 2.811 . 3.799 2.524 2.105 3.852 0.053 1 0 "[ . 1 . 2]" 1
588 1 40 CYS HB3 1 41 LEU H 3.019 . 4.158 3.960 3.579 4.282 0.124 13 0 "[ . 1 . 2]" 1
589 1 40 CYS HB3 1 77 TRP H 2.780 . 3.746 3.367 2.644 3.894 0.148 3 0 "[ . 1 . 2]" 1
590 1 40 CYS HB3 1 80 GLU HG3 4.449 3.699 5.199 4.056 3.051 5.594 0.648 7 1 "[ . + 1 . 2]" 1
591 1 41 LEU H 1 41 LEU HA 2.572 . 3.399 2.908 2.879 2.949 . 0 0 "[ . 1 . 2]" 1
592 1 41 LEU H 1 41 LEU HB3 2.347 . 3.035 2.629 2.495 2.761 . 0 0 "[ . 1 . 2]" 1
593 1 41 LEU H 1 42 ILE H 3.293 . 4.649 4.531 4.499 4.558 . 0 0 "[ . 1 . 2]" 1
594 1 41 LEU HA 1 41 LEU HB3 2.710 . 3.628 2.992 2.979 3.000 . 0 0 "[ . 1 . 2]" 1
595 1 41 LEU HA 1 41 LEU MD2 2.946 2.423 4.469 3.823 3.782 3.880 . 0 0 "[ . 1 . 2]" 1
596 1 41 LEU HA 1 41 LEU HG 2.179 . 2.773 2.876 2.804 2.979 0.206 4 0 "[ . 1 . 2]" 1
597 1 41 LEU HA 1 42 ILE H 2.342 . 3.027 2.226 2.135 2.344 . 0 0 "[ . 1 . 2]" 1
598 1 41 LEU HA 1 43 ASN H 2.667 . 6.000 6.205 6.143 6.295 0.295 5 0 "[ . 1 . 2]" 1
599 1 41 LEU HB3 1 41 LEU QD 2.347 . 3.036 2.222 2.080 2.311 . 0 0 "[ . 1 . 2]" 1
600 1 41 LEU QD 1 42 ILE H 2.874 . 3.906 2.233 2.045 2.423 . 0 0 "[ . 1 . 2]" 1
601 1 41 LEU QD 1 42 ILE MD 2.571 . 3.397 3.347 3.008 3.509 0.112 10 0 "[ . 1 . 2]" 1
602 1 41 LEU QD 1 42 ILE MD 2.703 . 3.616 2.722 1.927 3.129 . 0 0 "[ . 1 . 2]" 1
603 1 41 LEU QD 1 69 LEU HA 2.604 . 3.452 3.130 2.568 3.460 0.008 11 0 "[ . 1 . 2]" 1
604 1 41 LEU MD1 1 41 LEU HG 2.164 . 2.749 2.111 2.098 2.123 . 0 0 "[ . 1 . 2]" 1
605 1 41 LEU MD1 1 68 CYS HA 3.952 . 5.041 3.476 2.896 3.877 . 0 0 "[ . 1 . 2]" 1
606 1 41 LEU MD1 1 68 CYS HB3 2.658 . 3.541 3.081 2.169 4.253 0.712 20 3 "[ - * 1 . +]" 1
607 1 41 LEU MD1 1 69 LEU H 3.327 . 4.710 4.164 3.676 4.420 . 0 0 "[ . 1 . 2]" 1
608 1 41 LEU MD2 1 41 LEU HG 2.444 . 3.191 2.120 2.079 2.135 . 0 0 "[ . 1 . 2]" 1
609 1 41 LEU HG 1 42 ILE H 2.669 . 3.559 1.939 1.735 2.147 0.044 1 0 "[ . 1 . 2]" 1
610 1 41 LEU HG 1 42 ILE HA 2.947 . 4.033 4.097 3.965 4.231 0.198 14 0 "[ . 1 . 2]" 1
611 1 42 ILE H 1 42 ILE HA 2.835 . 3.839 2.884 2.857 2.902 . 0 0 "[ . 1 . 2]" 1
612 1 42 ILE H 1 42 ILE HB 2.672 . 3.565 3.615 3.595 3.626 0.061 16 0 "[ . 1 . 2]" 1
613 1 42 ILE H 1 42 ILE MD 2.973 . 4.078 3.146 2.832 3.454 . 0 0 "[ . 1 . 2]" 1
614 1 42 ILE H 1 42 ILE HG13 2.421 . 3.154 1.684 1.649 1.768 0.039 7 0 "[ . 1 . 2]" 1
615 1 42 ILE H 1 42 ILE MG 2.677 . 3.572 2.745 2.502 2.988 . 0 0 "[ . 1 . 2]" 1
616 1 42 ILE H 1 45 GLU H 3.506 . 5.042 4.736 4.352 5.025 . 0 0 "[ . 1 . 2]" 1
617 1 42 ILE HA 1 42 ILE HB 2.105 . 2.659 2.520 2.482 2.565 . 0 0 "[ . 1 . 2]" 1
618 1 42 ILE HA 1 42 ILE HG13 2.557 . 3.374 3.520 3.501 3.535 0.161 12 0 "[ . 1 . 2]" 1
619 1 42 ILE HA 1 42 ILE MG 2.007 . 2.510 2.199 2.105 2.251 . 0 0 "[ . 1 . 2]" 1
620 1 42 ILE HA 1 43 ASN H 3.318 . 4.694 2.203 2.115 2.321 . 0 0 "[ . 1 . 2]" 1
621 1 42 ILE HB 1 42 ILE MD 2.157 . 2.739 2.286 2.241 2.327 . 0 0 "[ . 1 . 2]" 1
622 1 42 ILE HB 1 42 ILE HG13 2.303 . 2.966 2.966 2.929 2.978 0.012 7 0 "[ . 1 . 2]" 1
623 1 42 ILE HB 1 42 ILE MG 2.154 . 2.734 2.112 2.094 2.125 . 0 0 "[ . 1 . 2]" 1
624 1 42 ILE HB 1 43 ASN HB3 5.785 . 6.754 5.374 4.500 5.935 . 0 0 "[ . 1 . 2]" 1
625 1 42 ILE HB 1 44 GLN H 2.642 . 3.515 2.894 2.712 3.041 . 0 0 "[ . 1 . 2]" 1
626 1 42 ILE MD 1 42 ILE HG13 1.959 . 2.439 2.114 2.110 2.119 . 0 0 "[ . 1 . 2]" 1
627 1 42 ILE MD 1 44 GLN H 3.491 . 5.014 2.411 2.053 2.642 . 0 0 "[ . 1 . 2]" 1
628 1 42 ILE MD 1 44 GLN HG3 2.879 . 3.915 3.166 2.503 3.926 0.011 12 0 "[ . 1 . 2]" 1
629 1 42 ILE MD 1 45 GLU HG3 2.711 . 3.630 2.636 1.975 3.808 0.178 4 0 "[ . 1 . 2]" 1
630 1 42 ILE MD 1 47 GLU H 3.216 . 6.000 5.007 4.867 5.242 . 0 0 "[ . 1 . 2]" 1
631 1 42 ILE HG13 1 42 ILE MG 2.325 . 3.000 2.639 2.579 2.756 . 0 0 "[ . 1 . 2]" 1
632 1 42 ILE HG13 1 44 GLN H 3.355 . 4.762 4.681 4.418 4.814 0.052 10 0 "[ . 1 . 2]" 1
633 1 42 ILE HG13 1 45 GLU H 2.558 . 6.000 3.908 3.620 4.293 . 0 0 "[ . 1 . 2]" 1
634 1 43 ASN HA 1 43 ASN HB3 2.267 . 2.909 2.697 2.463 2.961 0.052 11 0 "[ . 1 . 2]" 1
635 1 43 ASN HA 1 46 CYS H 3.175 . 4.435 3.509 3.246 3.728 . 0 0 "[ . 1 . 2]" 1
636 1 43 ASN HA 1 46 CYS HB3 2.508 . 3.294 2.443 1.896 3.469 0.175 4 0 "[ . 1 . 2]" 1
637 1 43 ASN HA 1 47 GLU HG3 2.205 . 2.813 3.044 2.913 3.123 0.310 11 0 "[ . 1 . 2]" 1
638 1 43 ASN HB3 1 44 GLN H 3.006 . 4.136 3.242 2.654 3.786 . 0 0 "[ . 1 . 2]" 1
639 1 43 ASN HB3 1 44 GLN HG3 4.677 . 5.573 4.673 3.536 6.615 1.042 7 3 "[ .*+ 1 . - 2]" 1
640 1 44 GLN H 1 44 GLN HA 2.951 . 4.039 2.775 2.754 2.798 . 0 0 "[ . 1 . 2]" 1
641 1 44 GLN H 1 44 GLN HG3 3.167 . 4.420 2.519 1.895 3.711 0.019 11 0 "[ . 1 . 2]" 1
642 1 44 GLN H 1 45 GLU H 3.263 . 4.594 2.955 2.808 3.037 . 0 0 "[ . 1 . 2]" 1
643 1 44 GLN HA 1 44 GLN HB3 2.304 . 2.967 2.478 2.367 2.574 . 0 0 "[ . 1 . 2]" 1
644 1 44 GLN HA 1 44 GLN HG3 2.124 . 2.688 3.187 2.446 3.752 1.064 17 12 "[* * .*** 1- *** + **]" 1
645 1 44 GLN HA 1 47 GLU H 2.897 . 3.946 3.975 3.855 4.017 0.071 5 0 "[ . 1 . 2]" 1
646 1 44 GLN HB3 1 44 GLN HG3 1.922 . 2.384 2.851 2.439 3.004 0.620 11 14 "[***** **+ -** ***]" 1
647 1 44 GLN HB3 1 45 GLU HG3 4.609 3.758 6.460 4.647 3.628 5.938 0.130 10 0 "[ . 1 . 2]" 1
648 1 45 GLU H 1 45 GLU HA 2.824 . 3.821 2.858 2.834 2.870 . 0 0 "[ . 1 . 2]" 1
649 1 45 GLU H 1 45 GLU HB3 2.522 . 6.000 3.581 3.517 3.633 . 0 0 "[ . 1 . 2]" 1
650 1 45 GLU H 1 46 CYS H 2.517 . 3.309 2.491 2.442 2.613 . 0 0 "[ . 1 . 2]" 1
651 1 45 GLU H 1 47 GLU H 3.390 . 4.827 4.291 4.209 4.400 . 0 0 "[ . 1 . 2]" 1
652 1 45 GLU HA 1 45 GLU HB3 2.023 . 2.534 2.540 2.463 2.635 0.101 14 0 "[ . 1 . 2]" 1
653 1 45 GLU HA 1 45 GLU HB3 2.192 . 2.793 2.293 2.090 2.578 . 0 0 "[ . 1 . 2]" 1
654 1 45 GLU HA 1 45 GLU HG3 1.984 . 2.476 3.175 2.254 3.729 1.253 15 14 "[* * -** *1*** + ****]" 1
655 1 45 GLU HA 1 46 CYS H 3.105 . 4.310 3.504 3.475 3.533 . 0 0 "[ . 1 . 2]" 1
656 1 45 GLU HA 1 49 ILE MD 2.737 . 3.673 3.022 2.918 3.145 . 0 0 "[ . 1 . 2]" 1
657 1 45 GLU HA 1 50 LEU H 3.441 . 4.921 4.153 4.040 4.315 . 0 0 "[ . 1 . 2]" 1
658 1 45 GLU HA 1 49 ILE H 3.105 . 4.310 3.855 3.604 4.093 . 0 0 "[ . 1 . 2]" 1
659 1 45 GLU HA 1 49 ILE MD 2.695 . 3.603 3.346 3.072 3.657 0.054 16 0 "[ . 1 . 2]" 1
660 1 45 GLU HA 1 50 LEU H 3.341 . 4.736 4.866 4.843 4.912 0.176 8 0 "[ . 1 . 2]" 1
661 1 45 GLU HB3 1 46 CYS H 2.856 . 3.875 3.735 3.571 3.875 0.000 18 0 "[ . 1 . 2]" 1
662 1 45 GLU HB3 1 49 ILE H 3.336 . 4.727 3.933 3.513 4.287 . 0 0 "[ . 1 . 2]" 1
663 1 46 CYS H 1 46 CYS HA 2.772 . 3.733 2.796 2.781 2.830 . 0 0 "[ . 1 . 2]" 1
664 1 46 CYS H 1 46 CYS HB3 2.594 . 3.435 2.769 2.421 3.602 0.167 1 0 "[ . 1 . 2]" 1
665 1 46 CYS H 1 47 GLU H 2.526 . 3.323 2.757 2.617 2.827 . 0 0 "[ . 1 . 2]" 1
666 1 46 CYS H 1 48 GLU H 2.837 . 6.000 3.854 3.717 3.995 . 0 0 "[ . 1 . 2]" 1
667 1 46 CYS H 1 49 ILE H 3.449 . 4.936 4.759 4.663 4.874 . 0 0 "[ . 1 . 2]" 1
668 1 46 CYS HA 1 46 CYS HB3 2.637 . 3.506 2.898 2.486 3.030 . 0 0 "[ . 1 . 2]" 1
669 1 46 CYS HA 1 46 CYS HB3 2.461 . 3.218 2.719 2.430 2.918 . 0 0 "[ . 1 . 2]" 1
670 1 46 CYS HA 1 49 ILE HB 2.399 . 3.118 3.104 2.877 3.227 0.109 17 0 "[ . 1 . 2]" 1
671 1 46 CYS HB3 1 47 GLU H 2.685 . 3.586 2.671 2.346 3.502 . 0 0 "[ . 1 . 2]" 1
672 1 47 GLU H 1 47 GLU HA 2.492 . 3.268 2.844 2.812 2.863 . 0 0 "[ . 1 . 2]" 1
673 1 47 GLU H 1 47 GLU HB3 2.205 . 2.813 3.576 3.552 3.593 0.780 14 20 [************-+******] 1
674 1 47 GLU H 1 47 GLU HG3 2.576 . 3.405 2.161 2.054 2.325 . 0 0 "[ . 1 . 2]" 1
675 1 47 GLU H 1 48 GLU H 2.462 . 3.219 2.487 2.434 2.567 . 0 0 "[ . 1 . 2]" 1
676 1 47 GLU HA 1 47 GLU HB3 2.337 . 3.020 2.176 2.139 2.224 . 0 0 "[ . 1 . 2]" 1
677 1 47 GLU HA 1 47 GLU HG3 2.486 . 3.258 3.194 3.112 3.261 0.003 3 0 "[ . 1 . 2]" 1
678 1 47 GLU HA 1 48 GLU H 2.865 . 3.891 3.489 3.468 3.523 . 0 0 "[ . 1 . 2]" 1
679 1 47 GLU HA 1 49 ILE H 3.070 . 6.000 4.473 4.152 4.724 . 0 0 "[ . 1 . 2]" 1
680 1 47 GLU HA 1 50 LEU HB3 2.324 . 2.999 2.683 2.637 2.769 . 0 0 "[ . 1 . 2]" 1
681 1 48 GLU H 1 48 GLU HA 2.407 . 3.131 2.813 2.785 2.837 . 0 0 "[ . 1 . 2]" 1
682 1 48 GLU H 1 48 GLU HB3 2.203 . 6.000 2.879 2.603 3.528 . 0 0 "[ . 1 . 2]" 1
683 1 48 GLU H 1 48 GLU HG3 2.575 . 6.000 4.236 2.818 4.520 . 0 0 "[ . 1 . 2]" 1
684 1 48 GLU H 1 49 ILE H 2.525 . 3.322 2.713 2.590 2.798 . 0 0 "[ . 1 . 2]" 1
685 1 48 GLU H 1 49 ILE MD 3.065 . 4.240 4.135 4.007 4.363 0.123 17 0 "[ . 1 . 2]" 1
686 1 48 GLU H 1 50 LEU H 3.006 . 4.136 4.071 3.955 4.220 0.084 8 0 "[ . 1 . 2]" 1
687 1 48 GLU HA 1 48 GLU HB3 1.957 . 2.436 2.521 2.350 2.718 0.282 13 0 "[ . 1 . 2]" 1
688 1 48 GLU HA 1 48 GLU HB3 2.153 . 2.732 2.432 2.254 2.691 . 0 0 "[ . 1 . 2]" 1
689 1 48 GLU HA 1 48 GLU HG3 2.435 . 3.176 2.692 2.236 3.665 0.489 8 0 "[ . 1 . 2]" 1
690 1 48 GLU HB3 1 49 ILE H 2.899 . 3.950 2.419 2.149 3.096 . 0 0 "[ . 1 . 2]" 1
691 1 48 GLU HB3 1 49 ILE MD 2.596 . 2.958 2.557 2.264 2.811 . 0 0 "[ . 1 . 2]" 1
692 1 48 GLU HB3 1 64 LYS HE3 2.565 . 3.387 3.928 3.463 4.418 1.031 2 11 "[*+*** 1 ***.* - *]" 1
693 1 49 ILE H 1 49 ILE HA 2.808 . 3.793 2.792 2.773 2.841 . 0 0 "[ . 1 . 2]" 1
694 1 49 ILE H 1 49 ILE HB 2.248 . 2.880 2.305 2.153 2.693 . 0 0 "[ . 1 . 2]" 1
695 1 49 ILE H 1 49 ILE MD 2.528 . 3.327 2.295 2.120 2.637 . 0 0 "[ . 1 . 2]" 1
696 1 49 ILE H 1 49 ILE HG13 2.414 . 6.000 3.928 3.647 4.071 . 0 0 "[ . 1 . 2]" 1
697 1 49 ILE H 1 50 LEU H 2.530 . 3.330 2.751 2.627 2.819 . 0 0 "[ . 1 . 2]" 1
698 1 49 ILE H 1 51 GLN H 2.949 . 4.036 4.001 3.830 4.111 0.075 14 0 "[ . 1 . 2]" 1
699 1 49 ILE H 1 52 ILE H 3.059 . 6.000 4.835 4.699 4.910 . 0 0 "[ . 1 . 2]" 1
700 1 49 ILE HA 1 49 ILE HB 2.930 . 4.003 2.981 2.945 3.038 . 0 0 "[ . 1 . 2]" 1
701 1 49 ILE HA 1 49 ILE HB 2.203 . 2.810 2.640 2.514 2.748 . 0 0 "[ . 1 . 2]" 1
702 1 49 ILE HA 1 49 ILE MD 2.663 . 3.549 2.134 1.799 2.497 . 0 0 "[ . 1 . 2]" 1
703 1 49 ILE HA 1 49 ILE MD 2.107 . 2.662 2.038 1.748 2.303 . 0 0 "[ . 1 . 2]" 1
704 1 49 ILE HA 1 49 ILE MG 2.518 . 3.311 2.601 2.352 2.703 . 0 0 "[ . 1 . 2]" 1
705 1 49 ILE HA 1 50 LEU H 3.322 . 4.701 3.546 3.520 3.575 . 0 0 "[ . 1 . 2]" 1
706 1 49 ILE HA 1 52 ILE H 3.333 . 4.721 3.392 3.249 3.520 . 0 0 "[ . 1 . 2]" 1
707 1 49 ILE HA 1 52 ILE HB 2.663 . 3.549 2.955 2.710 3.153 . 0 0 "[ . 1 . 2]" 1
708 1 49 ILE HA 1 61 GLY HA2 2.403 . 3.125 3.175 3.013 3.306 0.181 17 0 "[ . 1 . 2]" 1
709 1 49 ILE HB 1 49 ILE HG13 2.026 . 2.539 2.934 2.614 3.023 0.484 12 0 "[ . 1 . 2]" 1
710 1 49 ILE HB 1 49 ILE HG13 2.111 . 2.668 1.953 1.926 1.966 . 0 0 "[ . 1 . 2]" 1
711 1 49 ILE HB 1 49 ILE MG 2.016 . 2.524 2.080 2.063 2.124 . 0 0 "[ . 1 . 2]" 1
712 1 49 ILE HB 1 50 LEU H 2.180 . 2.774 2.744 2.454 2.855 0.081 6 0 "[ . 1 . 2]" 1
713 1 49 ILE MD 1 51 GLN H 3.517 . 5.063 3.393 3.323 3.489 . 0 0 "[ . 1 . 2]" 1
714 1 49 ILE MD 1 64 LYS HB3 2.362 . 3.059 1.697 1.617 1.920 0.048 20 0 "[ . 1 . 2]" 1
715 1 49 ILE MD 1 64 LYS HE3 2.534 . 3.337 2.070 1.808 3.041 0.022 7 0 "[ . 1 . 2]" 1
716 1 49 ILE MD 1 68 CYS HB3 2.784 . 3.753 3.399 2.484 3.767 0.014 1 0 "[ . 1 . 2]" 1
717 1 49 ILE HG13 1 64 LYS HA 4.780 . 5.746 4.824 4.300 5.924 0.178 16 0 "[ . 1 . 2]" 1
718 1 49 ILE HG13 1 65 LEU H 2.411 . 6.000 2.884 2.535 3.432 . 0 0 "[ . 1 . 2]" 1
719 1 49 ILE HG13 1 65 LEU HA 1.800 . 2.205 2.815 2.190 3.141 0.936 6 14 "[*****+* 1-**** **2]" 1
720 1 49 ILE HG13 1 68 CYS H 4.887 . 6.000 5.565 4.887 5.932 . 0 0 "[ . 1 . 2]" 1
721 1 49 ILE HG13 1 68 CYS HB3 4.633 . 5.499 4.855 3.145 5.833 0.334 15 0 "[ . 1 . 2]" 1
722 1 49 ILE MG 1 50 LEU H 2.744 . 3.685 3.025 2.736 3.499 . 0 0 "[ . 1 . 2]" 1
723 1 49 ILE MG 1 53 CYS H 3.353 . 4.758 3.076 2.960 3.134 . 0 0 "[ . 1 . 2]" 1
724 1 49 ILE MG 1 61 GLY HA2 2.745 . 3.687 3.337 2.934 3.598 . 0 0 "[ . 1 . 2]" 1
725 1 49 ILE MG 1 61 GLY HA3 2.715 . 3.636 3.069 2.892 3.276 . 0 0 "[ . 1 . 2]" 1
726 1 49 ILE MG 1 65 LEU H 2.891 . 3.935 3.241 2.868 3.417 . 0 0 "[ . 1 . 2]" 1
727 1 50 LEU H 1 50 LEU HA 2.423 . 3.157 2.810 2.792 2.829 . 0 0 "[ . 1 . 2]" 1
728 1 50 LEU H 1 50 LEU HB3 2.322 . 2.996 3.187 2.892 3.354 0.358 2 0 "[ . 1 . 2]" 1
729 1 50 LEU H 1 50 LEU QD 2.289 . 6.000 2.846 2.364 3.485 . 0 0 "[ . 1 . 2]" 1
730 1 50 LEU H 1 51 GLN HB3 3.318 . 4.694 4.685 4.581 4.903 0.209 13 0 "[ . 1 . 2]" 1
731 1 50 LEU H 1 52 ILE H 3.357 . 4.765 4.128 4.011 4.275 . 0 0 "[ . 1 . 2]" 1
732 1 50 LEU HA 1 50 LEU HB3 2.233 . 2.856 2.818 2.696 2.954 0.098 8 0 "[ . 1 . 2]" 1
733 1 50 LEU HA 1 50 LEU MD1 2.236 . 2.861 2.088 1.828 2.552 . 0 0 "[ . 1 . 2]" 1
734 1 50 LEU HA 1 50 LEU QD 2.225 . 2.844 1.830 1.788 1.883 . 0 0 "[ . 1 . 2]" 1
735 1 50 LEU HA 1 50 LEU MD2 2.039 . 2.559 2.257 1.862 2.541 . 0 0 "[ . 1 . 2]" 1
736 1 50 LEU HA 1 51 GLN H 2.765 . 3.720 3.476 3.448 3.504 . 0 0 "[ . 1 . 2]" 1
737 1 50 LEU HA 1 53 CYS H 3.043 . 4.200 3.509 3.248 3.756 . 0 0 "[ . 1 . 2]" 1
738 1 50 LEU HA 1 53 CYS HB3 2.564 . 3.386 3.196 2.720 4.455 1.069 8 3 "[ . + 1 *. -]" 1
739 1 50 LEU HB3 1 50 LEU MD1 2.171 . 2.760 2.428 2.298 2.561 . 0 0 "[ . 1 . 2]" 1
740 1 50 LEU HB3 1 50 LEU QD 2.221 . 2.838 2.354 2.250 2.453 . 0 0 "[ . 1 . 2]" 1
741 1 50 LEU HB3 1 51 GLN H 2.569 . 3.394 3.155 2.705 3.428 0.034 19 0 "[ . 1 . 2]" 1
742 1 50 LEU HB3 1 52 ILE H 2.578 . 6.000 5.216 4.892 5.430 . 0 0 "[ . 1 . 2]" 1
743 1 50 LEU HB3 1 53 CYS H 3.144 . 6.000 5.473 5.230 5.635 . 0 0 "[ . 1 . 2]" 1
744 1 50 LEU QD 1 50 LEU HG 1.939 . 2.409 1.886 1.865 1.892 . 0 0 "[ . 1 . 2]" 1
745 1 50 LEU MD1 1 50 LEU HG 2.075 . 2.613 2.120 2.096 2.127 . 0 0 "[ . 1 . 2]" 1
746 1 50 LEU MD1 1 51 GLN H 2.734 . 3.668 3.415 3.330 3.526 . 0 0 "[ . 1 . 2]" 1
747 1 51 GLN H 1 51 GLN HA 2.370 . 3.072 2.838 2.809 2.863 . 0 0 "[ . 1 . 2]" 1
748 1 51 GLN H 1 51 GLN HB3 2.061 . 2.592 2.384 2.307 2.549 . 0 0 "[ . 1 . 2]" 1
749 1 51 GLN H 1 51 GLN HG3 2.796 . 6.000 4.496 4.391 4.537 . 0 0 "[ . 1 . 2]" 1
750 1 51 GLN H 1 52 ILE H 2.558 . 3.376 2.508 2.424 2.620 . 0 0 "[ . 1 . 2]" 1
751 1 51 GLN HA 1 52 ILE H 3.087 . 4.278 3.495 3.455 3.511 . 0 0 "[ . 1 . 2]" 1
752 1 51 GLN HA 1 52 ILE HA 2.642 . 3.515 3.657 3.629 3.700 0.185 12 0 "[ . 1 . 2]" 1
753 1 51 GLN HA 1 52 ILE HA 2.647 . 3.523 4.376 3.800 4.432 0.909 5 19 "[****+**-*** ********]" 1
754 1 51 GLN HA 1 53 CYS H 3.311 . 4.681 4.457 4.327 4.573 . 0 0 "[ . 1 . 2]" 1
755 1 51 GLN HB3 1 51 GLN HG3 1.881 . 2.323 3.003 2.995 3.010 0.687 19 20 [****-*************+*] 1
756 1 51 GLN HB3 1 52 ILE H 2.597 . 3.440 2.731 2.321 2.893 . 0 0 "[ . 1 . 2]" 1
757 1 51 GLN HG3 1 52 ILE H 3.465 . 4.966 4.629 4.465 4.743 . 0 0 "[ . 1 . 2]" 1
758 1 51 GLN HG3 1 55 THR MG 2.660 . 3.545 2.837 2.549 3.199 . 0 0 "[ . 1 . 2]" 1
759 1 52 ILE H 1 52 ILE HA 2.828 . 3.827 2.876 2.838 2.895 . 0 0 "[ . 1 . 2]" 1
760 1 52 ILE H 1 52 ILE HB 2.472 . 3.236 2.307 2.265 2.341 . 0 0 "[ . 1 . 2]" 1
761 1 52 ILE H 1 52 ILE MD 2.552 . 3.366 2.235 2.084 2.339 . 0 0 "[ . 1 . 2]" 1
762 1 52 ILE H 1 52 ILE HG13 2.766 . 6.000 3.943 3.863 4.063 . 0 0 "[ . 1 . 2]" 1
763 1 52 ILE H 1 58 MET H 3.077 . 6.000 6.135 6.052 6.185 0.185 19 0 "[ . 1 . 2]" 1
764 1 52 ILE HA 1 52 ILE HB 2.500 . 3.282 3.003 2.989 3.013 . 0 0 "[ . 1 . 2]" 1
765 1 52 ILE HA 1 52 ILE MD 2.022 . 2.533 2.353 2.309 2.386 . 0 0 "[ . 1 . 2]" 1
766 1 52 ILE HA 1 52 ILE HG13 2.263 . 2.903 2.357 2.332 2.386 . 0 0 "[ . 1 . 2]" 1
767 1 52 ILE HA 1 52 ILE MG 2.204 . 2.811 2.688 2.654 2.723 . 0 0 "[ . 1 . 2]" 1
768 1 52 ILE HA 1 53 CYS H 3.367 . 4.784 3.498 3.477 3.526 . 0 0 "[ . 1 . 2]" 1
769 1 52 ILE HA 1 55 THR H 2.940 . 4.020 2.623 2.533 2.689 . 0 0 "[ . 1 . 2]" 1
770 1 52 ILE HA 1 55 THR MG 2.659 . 3.543 3.290 3.216 3.364 . 0 0 "[ . 1 . 2]" 1
771 1 52 ILE HA 1 56 LYS H 3.099 . 4.299 2.523 2.379 2.792 . 0 0 "[ . 1 . 2]" 1
772 1 52 ILE HA 1 56 LYS HB3 3.303 . 3.966 5.021 4.843 5.119 1.153 19 20 [*************-****+*] 1
773 1 52 ILE HA 1 57 GLY H 3.423 . 4.888 3.984 3.824 4.082 . 0 0 "[ . 1 . 2]" 1
774 1 52 ILE HB 1 52 ILE HG13 2.458 . 3.213 3.026 3.022 3.028 . 0 0 "[ . 1 . 2]" 1
775 1 52 ILE HB 1 52 ILE MG 2.053 . 2.580 2.094 2.080 2.105 . 0 0 "[ . 1 . 2]" 1
776 1 52 ILE HB 1 53 CYS H 2.670 . 3.561 3.152 3.087 3.212 . 0 0 "[ . 1 . 2]" 1
777 1 52 ILE HB 1 54 SER H 3.424 . 4.890 4.894 4.820 4.922 0.032 12 0 "[ . 1 . 2]" 1
778 1 52 ILE HB 1 55 THR H 3.478 . 4.990 5.053 4.948 5.128 0.138 17 0 "[ . 1 . 2]" 1
779 1 52 ILE HB 1 61 GLY H 3.368 . 4.786 4.048 3.966 4.146 . 0 0 "[ . 1 . 2]" 1
780 1 52 ILE HB 1 61 GLY HA2 2.720 . 3.645 2.581 2.429 2.771 . 0 0 "[ . 1 . 2]" 1
781 1 52 ILE MD 1 52 ILE HG13 2.225 . 2.844 2.115 2.109 2.119 . 0 0 "[ . 1 . 2]" 1
782 1 52 ILE MD 1 53 CYS H 2.595 . 3.436 3.224 3.160 3.266 . 0 0 "[ . 1 . 2]" 1
783 1 52 ILE MD 1 54 SER H 3.175 . 4.435 4.013 3.922 4.055 . 0 0 "[ . 1 . 2]" 1
784 1 52 ILE MD 1 55 THR H 3.445 . 4.928 4.468 4.315 4.571 . 0 0 "[ . 1 . 2]" 1
785 1 52 ILE HG13 1 56 LYS HB3 4.127 . 4.692 4.878 4.572 5.107 0.415 15 0 "[ . 1 . 2]" 1
786 1 52 ILE MG 1 53 CYS HA 2.678 . 3.575 3.426 3.378 3.507 . 0 0 "[ . 1 . 2]" 1
787 1 52 ILE MG 1 56 LYS H 2.977 . 4.085 2.942 2.876 3.046 . 0 0 "[ . 1 . 2]" 1
788 1 52 ILE MG 1 56 LYS HA 2.942 . 4.024 4.119 4.080 4.183 0.159 14 0 "[ . 1 . 2]" 1
789 1 52 ILE MG 1 56 LYS HB3 2.691 . 3.596 2.749 2.653 2.819 . 0 0 "[ . 1 . 2]" 1
790 1 52 ILE MG 1 57 GLY H 2.971 . 4.075 3.047 2.860 3.194 . 0 0 "[ . 1 . 2]" 1
791 1 52 ILE MG 1 60 ALA H 3.079 . 4.264 3.968 3.924 4.005 . 0 0 "[ . 1 . 2]" 1
792 1 52 ILE MG 1 60 ALA HA 2.721 . 3.647 3.787 3.732 3.850 0.203 17 0 "[ . 1 . 2]" 1
793 1 52 ILE MG 1 60 ALA MB 1.966 . 2.449 2.109 2.033 2.151 . 0 0 "[ . 1 . 2]" 1
794 1 52 ILE MG 1 61 GLY H 2.634 . 3.501 2.596 2.536 2.686 . 0 0 "[ . 1 . 2]" 1
795 1 52 ILE MG 1 61 GLY HA2 2.290 . 2.946 2.213 2.080 2.323 . 0 0 "[ . 1 . 2]" 1
796 1 52 ILE MG 1 61 GLY HA3 2.481 . 3.250 3.062 2.978 3.168 . 0 0 "[ . 1 . 2]" 1
797 1 53 CYS H 1 53 CYS HA 2.698 . 3.608 2.795 2.772 2.823 . 0 0 "[ . 1 . 2]" 1
798 1 53 CYS H 1 53 CYS HB3 2.644 . 3.518 2.432 2.146 3.569 0.051 14 0 "[ . 1 . 2]" 1
799 1 53 CYS H 1 54 SER H 2.500 . 3.281 2.515 2.478 2.565 . 0 0 "[ . 1 . 2]" 1
800 1 53 CYS H 1 55 THR H 3.226 . 4.527 4.338 4.283 4.384 . 0 0 "[ . 1 . 2]" 1
801 1 53 CYS HA 1 53 CYS HB3 2.443 . 3.189 2.603 2.283 2.948 . 0 0 "[ . 1 . 2]" 1
802 1 53 CYS HA 1 54 SER H 2.634 . 3.501 3.368 3.352 3.383 . 0 0 "[ . 1 . 2]" 1
803 1 53 CYS HA 1 57 GLY H 2.574 . 3.402 3.162 3.023 3.437 0.035 5 0 "[ . 1 . 2]" 1
804 1 53 CYS HA 1 58 MET HA 2.481 . 3.251 2.258 1.945 2.541 . 0 0 "[ . 1 . 2]" 1
805 1 53 CYS HA 1 58 MET ME 2.762 . 3.716 3.787 3.737 3.870 0.154 5 0 "[ . 1 . 2]" 1
806 1 53 CYS HA 1 61 GLY HA3 2.672 . 3.564 2.987 2.805 3.270 . 0 0 "[ . 1 . 2]" 1
807 1 53 CYS HB3 1 54 SER H 2.597 . 3.440 3.697 3.036 4.212 0.772 20 3 "[ . * 1 -. +]" 1
808 1 53 CYS HB3 1 58 MET ME 2.778 . 3.742 3.196 2.014 3.659 . 0 0 "[ . 1 . 2]" 1
809 1 54 SER H 1 54 SER HA 2.430 . 3.168 2.898 2.886 2.913 . 0 0 "[ . 1 . 2]" 1
810 1 54 SER H 1 54 SER HB3 2.145 . 2.720 3.511 2.449 3.585 0.865 5 19 "[****+****** *******-]" 1
811 1 54 SER H 1 55 THR H 2.312 . 2.980 2.444 2.311 2.533 . 0 0 "[ . 1 . 2]" 1
812 1 54 SER H 1 55 THR MG 3.065 . 4.240 3.977 3.700 4.055 . 0 0 "[ . 1 . 2]" 1
813 1 54 SER H 1 56 LYS H 2.998 . 4.122 3.984 3.725 4.166 0.044 16 0 "[ . 1 . 2]" 1
814 1 54 SER H 1 57 GLY H 2.792 . 3.767 3.920 3.873 4.003 0.236 2 0 "[ . 1 . 2]" 1
815 1 54 SER HA 1 55 THR H 2.832 . 3.834 3.538 3.503 3.551 . 0 0 "[ . 1 . 2]" 1
816 1 54 SER HB3 1 55 THR H 2.552 . 3.366 3.195 2.000 3.385 0.019 8 0 "[ . 1 . 2]" 1
817 1 54 SER HB3 1 55 THR MG 2.415 . 3.144 3.322 2.018 3.422 0.278 16 0 "[ . 1 . 2]" 1
818 1 55 THR H 1 55 THR HA 2.529 . 3.328 2.808 2.793 2.838 . 0 0 "[ . 1 . 2]" 1
819 1 55 THR H 1 55 THR HB 2.627 . 3.490 3.538 3.508 3.550 0.060 8 0 "[ . 1 . 2]" 1
820 1 55 THR H 1 55 THR MG 2.321 . 2.995 2.069 1.939 2.174 . 0 0 "[ . 1 . 2]" 1
821 1 55 THR H 1 56 LYS H 2.373 . 3.077 2.675 2.480 2.812 . 0 0 "[ . 1 . 2]" 1
822 1 55 THR H 1 57 GLY H 4.785 3.816 5.754 3.842 3.790 3.927 0.026 12 0 "[ . 1 . 2]" 1
823 1 55 THR H 1 57 GLY HA2 2.482 . 6.000 5.605 5.484 5.743 . 0 0 "[ . 1 . 2]" 1
824 1 55 THR HA 1 55 THR HB 1.926 . 2.390 2.462 2.435 2.475 0.085 2 0 "[ . 1 . 2]" 1
825 1 55 THR HA 1 55 THR MG 1.962 . 2.443 2.317 2.287 2.357 . 0 0 "[ . 1 . 2]" 1
826 1 55 THR HA 1 56 LYS H 2.958 . 4.052 3.510 3.460 3.529 . 0 0 "[ . 1 . 2]" 1
827 1 55 THR HA 1 57 GLY H 3.246 . 4.563 4.124 4.058 4.181 . 0 0 "[ . 1 . 2]" 1
828 1 55 THR HB 1 56 LYS H 2.807 . 3.792 3.350 3.077 3.821 0.029 12 0 "[ . 1 . 2]" 1
829 1 55 THR HB 1 56 LYS HG3 5.795 . 6.772 5.151 4.872 5.249 . 0 0 "[ . 1 . 2]" 1
830 1 55 THR MG 1 56 LYS H 2.825 . 3.823 3.387 3.341 3.439 . 0 0 "[ . 1 . 2]" 1
831 1 56 LYS H 1 56 LYS HA 2.736 . 3.672 2.879 2.834 2.922 . 0 0 "[ . 1 . 2]" 1
832 1 56 LYS H 1 56 LYS HB3 2.687 . 3.590 3.496 3.391 3.611 0.021 12 0 "[ . 1 . 2]" 1
833 1 56 LYS H 1 56 LYS HD3 3.125 . 6.000 3.480 2.113 4.953 . 0 0 "[ . 1 . 2]" 1
834 1 56 LYS H 1 56 LYS HG3 2.876 . 3.910 3.951 3.733 4.214 0.304 12 0 "[ . 1 . 2]" 1
835 1 56 LYS H 1 57 GLY H 2.189 . 2.788 2.280 1.976 2.492 . 0 0 "[ . 1 . 2]" 1
836 1 56 LYS H 1 57 GLY HA2 3.120 . 6.000 4.641 4.317 4.830 . 0 0 "[ . 1 . 2]" 1
837 1 56 LYS HA 1 56 LYS HB3 2.346 . 3.034 2.552 2.496 2.632 . 0 0 "[ . 1 . 2]" 1
838 1 56 LYS HA 1 56 LYS HD3 2.317 . 2.988 2.689 1.906 3.331 0.343 4 0 "[ . 1 . 2]" 1
839 1 56 LYS HA 1 56 LYS HG3 2.232 . 2.855 3.199 2.373 3.649 0.794 17 13 "[* -.** *** **+***]" 1
840 1 56 LYS HA 1 57 GLY H 2.782 . 3.750 3.503 3.491 3.533 . 0 0 "[ . 1 . 2]" 1
841 1 56 LYS HA 1 60 ALA MB 2.707 . 3.623 3.795 3.747 3.846 0.223 5 0 "[ . 1 . 2]" 1
842 1 56 LYS HB3 1 56 LYS HG3 2.540 . 3.346 2.393 2.357 2.424 . 0 0 "[ . 1 . 2]" 1
843 1 56 LYS HB3 1 57 GLY H 2.874 . 3.907 3.484 3.178 3.714 . 0 0 "[ . 1 . 2]" 1
844 1 56 LYS HB3 1 60 ALA MB 2.100 . 2.651 1.854 1.762 1.956 . 0 0 "[ . 1 . 2]" 1
845 1 56 LYS HE3 1 60 ALA MB 4.827 . 5.826 4.644 2.965 5.403 . 0 0 "[ . 1 . 2]" 1
846 1 56 LYS HG3 1 57 GLY H 3.309 . 4.678 5.035 4.944 5.186 0.508 4 1 "[ +. 1 . 2]" 1
847 1 57 GLY H 1 57 GLY HA2 2.394 . 3.111 2.537 2.490 2.590 . 0 0 "[ . 1 . 2]" 1
848 1 57 GLY H 1 57 GLY HA3 2.346 . 3.034 2.943 2.936 2.951 . 0 0 "[ . 1 . 2]" 1
849 1 57 GLY H 1 58 MET H 2.933 . 4.009 4.162 4.128 4.189 0.180 9 0 "[ . 1 . 2]" 1
850 1 57 GLY H 1 60 ALA MB 2.846 . 3.858 3.191 2.958 3.449 . 0 0 "[ . 1 . 2]" 1
851 1 57 GLY H 1 61 GLY H 3.495 . 5.022 4.052 3.946 4.171 . 0 0 "[ . 1 . 2]" 1
852 1 57 GLY HA2 1 58 MET H 2.484 . 3.256 2.289 2.272 2.309 . 0 0 "[ . 1 . 2]" 1
853 1 57 GLY HA2 1 60 ALA H 3.069 . 6.000 4.605 4.447 4.750 . 0 0 "[ . 1 . 2]" 1
854 1 57 GLY HA3 1 58 MET H 2.594 . 3.435 2.841 2.768 2.902 . 0 0 "[ . 1 . 2]" 1
855 1 58 MET H 1 58 MET HA 2.739 . 3.677 2.750 2.728 2.786 . 0 0 "[ . 1 . 2]" 1
856 1 58 MET H 1 58 MET HB3 2.748 . 3.692 3.539 3.148 3.622 . 0 0 "[ . 1 . 2]" 1
857 1 58 MET H 1 58 MET HG3 2.561 . 3.381 3.378 2.328 3.829 0.448 9 0 "[ . 1 . 2]" 1
858 1 58 MET H 1 59 MET H 2.736 . 3.672 2.883 2.775 2.964 . 0 0 "[ . 1 . 2]" 1
859 1 58 MET HA 1 58 MET HB3 2.454 . 3.207 2.368 2.204 2.560 . 0 0 "[ . 1 . 2]" 1
860 1 58 MET HA 1 58 MET ME 2.770 . 3.729 2.842 2.369 3.484 . 0 0 "[ . 1 . 2]" 1
861 1 58 MET HA 1 58 MET HG3 2.746 . 3.688 3.735 2.750 4.188 0.500 20 0 "[ . 1 . 2]" 1
862 1 58 MET HA 1 59 MET H 2.397 . 3.115 2.708 2.681 2.740 . 0 0 "[ . 1 . 2]" 1
863 1 58 MET HA 1 62 ALA H 3.263 . 4.594 3.941 3.644 4.073 . 0 0 "[ . 1 . 2]" 1
864 1 58 MET HB3 1 58 MET HG3 2.467 . 3.228 2.437 2.267 2.943 . 0 0 "[ . 1 . 2]" 1
865 1 58 MET HB3 1 59 MET H 2.940 . 6.000 3.769 3.266 4.415 . 0 0 "[ . 1 . 2]" 1
866 1 58 MET HG3 1 59 MET H 3.227 . 4.528 4.648 4.120 5.029 0.501 9 1 "[ . +1 . 2]" 1
867 1 59 MET H 1 59 MET HB3 2.412 . 3.139 3.613 3.584 3.639 0.500 6 1 "[ .+ 1 . 2]" 1
868 1 59 MET H 1 59 MET HG3 2.755 . 3.704 2.327 2.067 2.722 . 0 0 "[ . 1 . 2]" 1
869 1 59 MET H 1 60 ALA H 2.416 . 3.146 2.730 2.614 2.908 . 0 0 "[ . 1 . 2]" 1
870 1 59 MET H 1 60 ALA MB 3.162 . 6.000 4.426 4.316 4.594 . 0 0 "[ . 1 . 2]" 1
871 1 59 MET HA 1 59 MET HB3 2.243 . 2.872 2.456 2.408 2.500 . 0 0 "[ . 1 . 2]" 1
872 1 59 MET HA 1 59 MET HG3 2.605 . 3.454 3.279 2.956 3.593 0.139 17 0 "[ . 1 . 2]" 1
873 1 59 MET HA 1 60 ALA H 2.682 . 3.581 3.534 3.494 3.577 . 0 0 "[ . 1 . 2]" 1
874 1 59 MET HA 1 62 ALA MB 2.220 . 2.836 2.638 2.526 2.810 . 0 0 "[ . 1 . 2]" 1
875 1 59 MET HA 1 63 GLU H 3.123 . 4.342 4.028 3.908 4.155 . 0 0 "[ . 1 . 2]" 1
876 1 59 MET HB3 1 59 MET HG3 2.341 . 3.026 2.972 2.887 3.012 . 0 0 "[ . 1 . 2]" 1
877 1 59 MET HB3 1 60 ALA H 2.538 . 3.343 3.746 3.551 3.942 0.599 19 7 "[ ** . *1 * .*- +2]" 1
878 1 59 MET ME 1 59 MET HG3 2.084 . 2.627 3.006 2.520 3.403 0.776 8 11 "[* ** *+ *** ** -]" 1
879 1 60 ALA H 1 60 ALA HA 2.339 . 3.023 2.856 2.843 2.869 . 0 0 "[ . 1 . 2]" 1
880 1 60 ALA H 1 60 ALA MB . . 2.535 2.245 2.223 2.259 . 0 0 "[ . 1 . 2]" 1
881 1 60 ALA H 1 61 GLY H 2.239 . 2.866 2.493 2.430 2.548 . 0 0 "[ . 1 . 2]" 1
882 1 60 ALA H 1 62 ALA H 3.337 . 4.729 3.875 3.803 3.958 . 0 0 "[ . 1 . 2]" 1
883 1 60 ALA HA 1 61 GLY H 2.703 . 3.616 3.519 3.513 3.528 . 0 0 "[ . 1 . 2]" 1
884 1 60 ALA HA 1 63 GLU H 2.794 . 3.770 3.154 3.015 3.307 . 0 0 "[ . 1 . 2]" 1
885 1 60 ALA HA 1 63 GLU HB3 2.220 . 2.836 3.930 3.596 4.197 1.361 8 20 [*******+******-*****] 1
886 1 60 ALA HA 1 63 GLU HG3 2.826 . 3.824 2.927 2.342 3.236 . 0 0 "[ . 1 . 2]" 1
887 1 60 ALA MB 1 61 GLY H 2.438 . 3.181 2.543 2.475 2.647 . 0 0 "[ . 1 . 2]" 1
888 1 60 ALA MB 1 62 ALA H 3.454 . 4.945 4.467 4.430 4.504 . 0 0 "[ . 1 . 2]" 1
889 1 61 GLY H 1 61 GLY HA2 2.516 . 3.307 2.826 2.812 2.841 . 0 0 "[ . 1 . 2]" 1
890 1 61 GLY H 1 61 GLY HA3 2.368 . 3.069 2.293 2.290 2.297 . 0 0 "[ . 1 . 2]" 1
891 1 61 GLY H 1 62 ALA H 2.609 . 3.460 2.649 2.591 2.708 . 0 0 "[ . 1 . 2]" 1
892 1 61 GLY H 1 62 ALA H 2.390 . 3.104 2.316 2.246 2.378 . 0 0 "[ . 1 . 2]" 1
893 1 61 GLY H 1 62 ALA MB 3.156 . 6.000 4.325 4.259 4.371 . 0 0 "[ . 1 . 2]" 1
894 1 61 GLY HA2 1 62 ALA H 3.161 . 4.410 3.533 3.515 3.555 . 0 0 "[ . 1 . 2]" 1
895 1 61 GLY HA2 1 64 LYS H 3.072 . 4.252 3.415 3.295 3.515 . 0 0 "[ . 1 . 2]" 1
896 1 61 GLY HA3 1 62 ALA H 2.687 . 3.589 2.813 2.771 2.854 . 0 0 "[ . 1 . 2]" 1
897 1 61 GLY HA3 1 64 LYS H 3.295 . 4.652 4.581 4.476 4.673 0.021 18 0 "[ . 1 . 2]" 1
898 1 62 ALA H 1 62 ALA HA 2.757 . 3.707 2.838 2.816 2.859 . 0 0 "[ . 1 . 2]" 1
899 1 62 ALA H 1 62 ALA MB 2.378 . 3.085 2.170 2.115 2.219 . 0 0 "[ . 1 . 2]" 1
900 1 62 ALA H 1 63 GLU H 2.725 . 3.653 2.557 2.460 2.671 . 0 0 "[ . 1 . 2]" 1
901 1 62 ALA H 1 64 LYS H 3.477 . 4.989 4.032 3.900 4.127 . 0 0 "[ . 1 . 2]" 1
902 1 62 ALA H 1 65 LEU QD 5.299 3.939 6.659 4.780 4.589 5.043 . 0 0 "[ . 1 . 2]" 1
903 1 62 ALA HA 1 63 GLU H 3.003 . 4.130 3.525 3.501 3.567 . 0 0 "[ . 1 . 2]" 1
904 1 62 ALA HA 1 64 LYS H 3.014 . 4.149 4.199 4.107 4.261 0.112 7 0 "[ . 1 . 2]" 1
905 1 62 ALA HA 1 65 LEU HB3 2.483 . 3.253 2.354 1.936 2.804 . 0 0 "[ . 1 . 2]" 1
906 1 62 ALA HA 1 65 LEU QD 2.439 . 3.183 2.832 2.631 3.012 . 0 0 "[ . 1 . 2]" 1
907 1 62 ALA MB 1 63 GLU H 2.550 . 3.363 2.609 2.467 2.715 . 0 0 "[ . 1 . 2]" 1
908 1 62 ALA MB 1 63 GLU HA 2.722 . 3.648 3.735 3.683 3.788 0.140 9 0 "[ . 1 . 2]" 1
909 1 63 GLU H 1 63 GLU HA 2.592 . 3.432 2.774 2.744 2.795 . 0 0 "[ . 1 . 2]" 1
910 1 63 GLU H 1 63 GLU HB3 2.219 . 2.835 3.578 3.494 3.606 0.771 8 20 [*******+**********-*] 1
911 1 63 GLU H 1 63 GLU HG3 2.632 . 3.498 2.591 2.293 3.693 0.195 15 0 "[ . 1 . 2]" 1
912 1 63 GLU H 1 64 LYS H 2.634 . 3.501 2.664 2.604 2.728 . 0 0 "[ . 1 . 2]" 1
913 1 63 GLU H 1 64 LYS H 2.175 . 2.766 2.245 2.180 2.301 . 0 0 "[ . 1 . 2]" 1
914 1 63 GLU HA 1 63 GLU HB3 2.398 . 3.117 2.568 2.512 2.662 . 0 0 "[ . 1 . 2]" 1
915 1 63 GLU HA 1 63 GLU HB3 2.391 . 3.106 2.203 2.182 2.237 . 0 0 "[ . 1 . 2]" 1
916 1 63 GLU HA 1 63 GLU HG3 2.443 . 3.189 3.048 2.803 3.595 0.406 15 0 "[ . 1 . 2]" 1
917 1 63 GLU HA 1 66 VAL QG 4.572 3.745 6.399 2.538 2.187 2.963 1.558 5 20 [****+*********-*****] 1
918 1 63 GLU HB3 1 64 LYS H 2.207 . 2.816 3.531 3.230 3.697 0.881 11 18 "[**********+***.*** -]" 1
919 1 63 GLU HG3 1 64 LYS H 3.297 . 4.655 4.537 4.235 5.008 0.353 15 0 "[ . 1 . 2]" 1
920 1 64 LYS H 1 64 LYS HA 2.440 . 3.184 2.857 2.837 2.884 . 0 0 "[ . 1 . 2]" 1
921 1 64 LYS H 1 65 LEU H 2.548 . 3.360 2.419 2.327 2.497 . 0 0 "[ . 1 . 2]" 1
922 1 64 LYS H 1 66 VAL H 3.037 . 4.190 4.165 4.030 4.259 0.069 20 0 "[ . 1 . 2]" 1
923 1 64 LYS HA 1 64 LYS HB3 2.363 . 3.061 2.788 2.711 2.847 . 0 0 "[ . 1 . 2]" 1
924 1 64 LYS HA 1 64 LYS HD3 2.647 . 3.523 3.451 3.311 3.538 0.015 14 0 "[ . 1 . 2]" 1
925 1 64 LYS HA 1 65 LEU H 3.141 . 4.375 3.429 3.392 3.472 . 0 0 "[ . 1 . 2]" 1
926 1 64 LYS HA 1 67 GLU H 2.845 . 3.857 3.853 3.742 3.925 0.068 6 0 "[ . 1 . 2]" 1
927 1 64 LYS HA 1 67 GLU HG3 2.770 . 3.729 3.669 3.350 3.907 0.178 3 0 "[ . 1 . 2]" 1
928 1 64 LYS HB3 1 68 CYS H 3.379 . 4.806 4.449 4.119 4.662 . 0 0 "[ . 1 . 2]" 1
929 1 64 LYS HB3 1 64 LYS HE3 2.749 . 3.693 2.365 1.983 3.593 . 0 0 "[ . 1 . 2]" 1
930 1 64 LYS HB3 1 65 LEU H 2.809 . 3.795 3.302 3.073 3.489 . 0 0 "[ . 1 . 2]" 1
931 1 65 LEU H 1 65 LEU HA 2.441 . 3.186 2.842 2.812 2.874 . 0 0 "[ . 1 . 2]" 1
932 1 65 LEU H 1 65 LEU HB3 2.516 . 3.307 2.486 2.283 2.805 . 0 0 "[ . 1 . 2]" 1
933 1 65 LEU H 1 66 VAL H 2.522 . 3.317 2.544 2.418 2.629 . 0 0 "[ . 1 . 2]" 1
934 1 65 LEU H 1 67 GLU H 3.189 . 4.460 4.025 3.880 4.181 . 0 0 "[ . 1 . 2]" 1
935 1 65 LEU HA 1 65 LEU HB3 2.555 . 3.371 3.008 2.978 3.020 . 0 0 "[ . 1 . 2]" 1
936 1 65 LEU HA 1 65 LEU HG 2.597 . 3.440 2.682 2.324 3.482 0.042 13 0 "[ . 1 . 2]" 1
937 1 65 LEU HA 1 66 VAL H 2.955 . 4.046 3.503 3.449 3.560 . 0 0 "[ . 1 . 2]" 1
938 1 65 LEU HA 1 67 GLU H 3.212 . 4.502 4.497 4.360 4.602 0.100 10 0 "[ . 1 . 2]" 1
939 1 65 LEU HA 1 69 LEU H 3.010 . 4.142 3.319 3.251 3.351 . 0 0 "[ . 1 . 2]" 1
940 1 65 LEU HA 1 68 CYS HB3 2.541 . 3.348 2.895 1.930 3.560 0.212 17 0 "[ . 1 . 2]" 1
941 1 65 LEU HB3 1 65 LEU QD 2.464 . 2.933 2.120 1.985 2.481 . 0 0 "[ . 1 . 2]" 1
942 1 65 LEU HB3 1 65 LEU HG 2.596 . 3.438 2.840 2.281 3.011 . 0 0 "[ . 1 . 2]" 1
943 1 65 LEU HB3 1 66 VAL H 2.795 . 3.771 2.924 2.690 3.133 . 0 0 "[ . 1 . 2]" 1
944 1 65 LEU QD 1 66 VAL H 2.744 . 6.000 3.592 3.168 4.028 . 0 0 "[ . 1 . 2]" 1
945 1 65 LEU QD 1 69 LEU H 2.891 . 3.936 2.617 2.005 3.036 . 0 0 "[ . 1 . 2]" 1
946 1 66 VAL H 1 66 VAL HA 2.709 . 3.626 2.831 2.790 2.857 . 0 0 "[ . 1 . 2]" 1
947 1 66 VAL H 1 66 VAL HB 2.324 . 6.000 3.217 2.307 3.687 . 0 0 "[ . 1 . 2]" 1
948 1 66 VAL H 1 66 VAL QG 2.305 . 2.969 2.022 1.783 2.337 0.030 6 0 "[ . 1 . 2]" 1
949 1 66 VAL H 1 67 GLU H 2.478 . 3.246 2.644 2.511 2.803 . 0 0 "[ . 1 . 2]" 1
950 1 66 VAL H 1 67 GLU HB3 3.089 . 4.282 4.536 4.480 4.606 0.324 15 0 "[ . 1 . 2]" 1
951 1 66 VAL H 1 68 CYS H 2.653 . 6.000 3.791 3.557 3.994 . 0 0 "[ . 1 . 2]" 1
952 1 66 VAL HA 1 66 VAL HB 2.603 . 3.450 2.529 2.226 3.022 . 0 0 "[ . 1 . 2]" 1
953 1 66 VAL HA 1 66 VAL QG 2.357 . 3.051 2.313 2.098 2.528 . 0 0 "[ . 1 . 2]" 1
954 1 66 VAL HA 1 67 GLU H 3.285 . 4.634 3.514 3.477 3.537 . 0 0 "[ . 1 . 2]" 1
955 1 66 VAL HA 1 69 LEU H 2.846 . 3.858 2.869 2.382 3.227 . 0 0 "[ . 1 . 2]" 1
956 1 66 VAL HA 1 70 LEU MD1 4.969 2.867 6.071 5.695 4.005 6.364 0.293 18 0 "[ . 1 . 2]" 1
957 1 66 VAL HB 1 66 VAL QG 2.189 . 2.685 1.869 1.855 1.884 . 0 0 "[ . 1 . 2]" 1
958 1 66 VAL QG 1 67 GLU H 2.866 . 3.893 2.207 1.784 2.868 0.087 12 0 "[ . 1 . 2]" 1
959 1 66 VAL QG 1 67 GLU HA 4.911 2.852 5.970 2.964 2.794 3.213 0.058 14 0 "[ . 1 . 2]" 1
960 1 66 VAL QG 1 68 CYS H 3.268 . 4.603 3.958 3.668 4.236 . 0 0 "[ . 1 . 2]" 1
961 1 67 GLU H 1 67 GLU HA 2.564 . 3.386 2.822 2.785 2.837 . 0 0 "[ . 1 . 2]" 1
962 1 67 GLU H 1 67 GLU HB3 2.286 . 2.939 2.635 2.548 2.699 . 0 0 "[ . 1 . 2]" 1
963 1 67 GLU H 1 67 GLU HG3 2.683 . 3.583 2.993 2.856 3.143 . 0 0 "[ . 1 . 2]" 1
964 1 67 GLU H 1 68 CYS H 2.526 . 3.324 2.500 2.423 2.579 . 0 0 "[ . 1 . 2]" 1
965 1 67 GLU H 1 70 LEU MD1 5.205 . 6.489 6.516 4.149 7.093 0.604 18 1 "[ . 1 . + 2]" 1
966 1 67 GLU HA 1 67 GLU HB3 2.195 . 2.797 2.399 2.363 2.420 . 0 0 "[ . 1 . 2]" 1
967 1 67 GLU HA 1 67 GLU HG3 2.614 . 3.468 3.658 3.613 3.690 0.222 20 0 "[ . 1 . 2]" 1
968 1 67 GLU HA 1 68 CYS H 3.117 . 4.332 3.448 3.415 3.478 . 0 0 "[ . 1 . 2]" 1
969 1 67 GLU HA 1 70 LEU HB3 2.455 . 3.208 3.181 2.429 4.077 0.869 1 3 "[+ * 1 -. 2]" 1
970 1 67 GLU HA 1 70 LEU MD1 4.396 . 6.113 4.798 2.695 5.237 . 0 0 "[ . 1 . 2]" 1
971 1 67 GLU HB3 1 68 CYS H 2.565 . 6.000 4.015 3.914 4.109 . 0 0 "[ . 1 . 2]" 1
972 1 67 GLU HG3 1 68 CYS H 3.104 . 4.308 2.270 1.983 2.523 . 0 0 "[ . 1 . 2]" 1
973 1 68 CYS H 1 68 CYS HA 2.474 . 3.239 2.818 2.792 2.865 . 0 0 "[ . 1 . 2]" 1
974 1 68 CYS H 1 68 CYS HB3 2.535 . 3.339 2.888 2.063 3.519 0.180 6 0 "[ . 1 . 2]" 1
975 1 68 CYS H 1 71 ARG H 3.389 . 4.824 3.841 3.454 4.053 . 0 0 "[ . 1 . 2]" 1
976 1 68 CYS H 1 70 LEU H 2.953 . 4.043 4.032 3.749 4.167 0.124 17 0 "[ . 1 . 2]" 1
977 1 68 CYS H 1 71 ARG HD3 5.356 . 6.764 6.010 4.937 7.774 1.010 18 1 "[ . 1 . + 2]" 1
978 1 68 CYS HA 1 68 CYS HB3 2.293 . 2.950 2.744 2.549 3.012 0.062 9 0 "[ . 1 . 2]" 1
979 1 68 CYS HA 1 71 ARG HD3 2.538 . 3.343 2.954 2.434 3.577 0.234 11 0 "[ . 1 . 2]" 1
980 1 68 CYS HA 1 71 ARG H 2.908 . 3.965 3.658 3.345 3.980 0.015 11 0 "[ . 1 . 2]" 1
981 1 68 CYS HA 1 71 ARG HG3 2.459 . 3.215 3.569 2.797 4.464 1.249 18 6 "[ * . * 1 *. +*-]" 1
982 1 69 LEU H 1 69 LEU HA 2.840 . 3.848 2.823 2.772 2.857 . 0 0 "[ . 1 . 2]" 1
983 1 69 LEU H 1 69 LEU HB3 2.671 . 3.563 3.530 3.428 3.601 0.038 17 0 "[ . 1 . 2]" 1
984 1 69 LEU H 1 69 LEU QD 4.674 . 5.568 2.745 2.014 3.231 . 0 0 "[ . 1 . 2]" 1
985 1 69 LEU H 1 70 LEU H 2.580 . 3.412 2.655 2.556 2.770 . 0 0 "[ . 1 . 2]" 1
986 1 69 LEU H 1 70 LEU HB3 5.119 . 6.335 5.501 5.182 5.955 . 0 0 "[ . 1 . 2]" 1
987 1 69 LEU H 1 71 ARG H 3.532 . 5.091 3.874 3.517 4.058 . 0 0 "[ . 1 . 2]" 1
988 1 69 LEU HA 1 69 LEU HB3 2.597 . 3.440 2.548 2.344 2.669 . 0 0 "[ . 1 . 2]" 1
989 1 69 LEU HA 1 69 LEU QD 4.054 . 4.581 2.249 1.905 2.797 . 0 0 "[ . 1 . 2]" 1
990 1 69 LEU HA 1 69 LEU HG 2.574 . 3.402 2.774 2.306 3.460 0.058 17 0 "[ . 1 . 2]" 1
991 1 69 LEU HA 1 70 LEU H 3.510 . 5.050 3.540 3.486 3.577 . 0 0 "[ . 1 . 2]" 1
992 1 69 LEU HA 1 71 ARG H 3.045 . 4.204 4.022 3.791 4.232 0.028 11 0 "[ . 1 . 2]" 1
993 1 69 LEU HA 1 72 SER H 3.013 . 4.148 3.460 3.139 3.630 . 0 0 "[ . 1 . 2]" 1
994 1 69 LEU HA 1 72 SER HB3 2.583 . 3.417 3.430 2.755 3.894 0.477 4 0 "[ . 1 . 2]" 1
995 1 69 LEU HB3 1 69 LEU QD 2.557 . 3.374 2.107 2.015 2.482 . 0 0 "[ . 1 . 2]" 1
996 1 69 LEU HB3 1 69 LEU HG 2.973 . 4.078 2.847 2.272 3.010 . 0 0 "[ . 1 . 2]" 1
997 1 69 LEU HB3 1 70 LEU H 2.881 . 3.918 3.378 3.151 3.768 . 0 0 "[ . 1 . 2]" 1
998 1 69 LEU QD 1 70 LEU H 3.103 . 6.000 3.898 3.752 4.009 . 0 0 "[ . 1 . 2]" 1
999 1 69 LEU QD 1 81 LEU HG 2.262 . 2.902 2.805 2.387 3.056 0.154 10 0 "[ . 1 . 2]" 1
1000 1 70 LEU H 1 70 LEU HA 2.654 . 3.534 2.778 2.731 2.811 . 0 0 "[ . 1 . 2]" 1
1001 1 70 LEU H 1 70 LEU HB3 2.249 . 2.881 3.107 2.923 3.415 0.534 19 3 "[ * . -1 . +2]" 1
1002 1 70 LEU H 1 70 LEU MD1 2.683 . 3.583 3.552 3.376 3.690 0.107 14 0 "[ . 1 . 2]" 1
1003 1 70 LEU H 1 70 LEU MD2 2.875 . 3.908 3.381 2.580 3.773 . 0 0 "[ . 1 . 2]" 1
1004 1 70 LEU H 1 71 ARG H 2.593 . 3.434 2.758 2.608 2.890 . 0 0 "[ . 1 . 2]" 1
1005 1 70 LEU H 1 72 SER H 3.519 . 5.067 4.079 3.774 4.243 . 0 0 "[ . 1 . 2]" 1
1006 1 70 LEU HA 1 70 LEU HB3 2.755 . 3.704 2.878 2.669 2.957 . 0 0 "[ . 1 . 2]" 1
1007 1 70 LEU HA 1 70 LEU HB3 2.318 . 2.989 2.691 2.290 2.775 . 0 0 "[ . 1 . 2]" 1
1008 1 70 LEU HA 1 70 LEU MD2 2.101 . 3.653 3.227 1.941 3.575 . 0 0 "[ . 1 . 2]" 1
1009 1 70 LEU HA 1 71 ARG H 3.130 . 4.354 3.484 3.400 3.525 . 0 0 "[ . 1 . 2]" 1
1010 1 70 LEU HA 1 77 TRP HE1 5.450 . 6.000 5.318 4.193 6.097 0.097 14 0 "[ . 1 . 2]" 1
1011 1 70 LEU HB3 1 70 LEU MD1 2.506 . 3.291 2.928 2.477 3.131 . 0 0 "[ . 1 . 2]" 1
1012 1 70 LEU HB3 1 70 LEU MD2 2.674 . 3.568 2.778 2.242 3.147 . 0 0 "[ . 1 . 2]" 1
1013 1 70 LEU MD1 1 70 LEU MD2 2.085 . 2.628 2.032 1.983 2.070 . 0 0 "[ . 1 . 2]" 1
1014 1 70 LEU MD1 1 70 LEU HG 2.082 . 2.624 2.104 2.066 2.128 . 0 0 "[ . 1 . 2]" 1
1015 1 70 LEU MD1 1 71 ARG H 5.372 3.950 6.794 4.514 4.366 4.923 . 0 0 "[ . 1 . 2]" 1
1016 1 70 LEU MD2 1 70 LEU HG 2.109 . 2.665 2.109 2.093 2.119 . 0 0 "[ . 1 . 2]" 1
1017 1 70 LEU MD2 1 71 ARG H 3.374 . 6.000 4.898 4.554 5.064 . 0 0 "[ . 1 . 2]" 1
1018 1 71 ARG H 1 71 ARG HA 2.511 . 3.299 2.903 2.858 2.931 . 0 0 "[ . 1 . 2]" 1
1019 1 71 ARG H 1 71 ARG HB3 2.399 . 3.118 3.081 2.373 3.672 0.554 5 5 "[** + 1 - *2]" 1
1020 1 71 ARG HA 1 71 ARG HB3 2.459 . 3.215 2.504 2.420 3.021 . 0 0 "[ . 1 . 2]" 1
1021 1 71 ARG HA 1 71 ARG HB3 2.129 . 2.696 2.431 2.351 2.687 . 0 0 "[ . 1 . 2]" 1
1022 1 71 ARG HA 1 72 SER H 2.863 . 3.887 3.334 3.193 3.472 . 0 0 "[ . 1 . 2]" 1
1023 1 71 ARG HB3 1 71 ARG HD3 2.535 . 3.339 3.258 2.455 4.174 0.835 18 3 "[ . - . +*2]" 1
1024 1 71 ARG HB3 1 72 SER H 3.059 . 4.229 4.138 2.977 4.369 0.140 9 0 "[ . 1 . 2]" 1
1025 1 71 ARG HD3 1 71 ARG HG3 2.421 . 3.153 2.573 2.404 3.014 . 0 0 "[ . 1 . 2]" 1
1026 1 72 SER H 1 72 SER HA 2.680 . 3.578 2.875 2.824 2.934 . 0 0 "[ . 1 . 2]" 1
1027 1 72 SER H 1 72 SER HB3 2.520 . 3.314 2.803 2.497 3.537 0.223 15 0 "[ . 1 . 2]" 1
1028 1 72 SER H 1 73 ASP H 3.364 . 4.779 4.546 4.453 4.600 . 0 0 "[ . 1 . 2]" 1
1029 1 72 SER H 1 73 ASP HA 2.769 . 6.000 5.261 5.000 5.422 . 0 0 "[ . 1 . 2]" 1
1030 1 72 SER HA 1 72 SER HB3 2.276 . 2.923 2.902 2.511 3.028 0.105 7 0 "[ . 1 . 2]" 1
1031 1 72 SER HA 1 73 ASP H 2.340 . 3.025 2.216 2.149 2.431 . 0 0 "[ . 1 . 2]" 1
1032 1 72 SER HA 1 74 LYS H 3.175 . 4.435 4.152 3.936 4.475 0.040 9 0 "[ . 1 . 2]" 1
1033 1 72 SER HB3 1 73 ASP H 3.349 . 4.751 3.805 3.301 4.159 . 0 0 "[ . 1 . 2]" 1
1034 1 72 SER HB3 1 77 TRP HB3 2.587 . 3.424 3.195 2.463 3.523 0.099 17 0 "[ . 1 . 2]" 1
1035 1 73 ASP H 1 73 ASP HA 2.911 . 3.970 2.936 2.914 2.950 . 0 0 "[ . 1 . 2]" 1
1036 1 73 ASP H 1 73 ASP HB3 2.906 . 3.961 3.122 2.557 3.726 . 0 0 "[ . 1 . 2]" 1
1037 1 73 ASP H 1 74 LYS H 2.555 . 3.371 2.948 2.475 3.361 . 0 0 "[ . 1 . 2]" 1
1038 1 73 ASP HA 1 73 ASP HB3 2.326 . 3.002 2.697 2.417 3.027 0.025 12 0 "[ . 1 . 2]" 1
1039 1 73 ASP HA 1 74 LYS H 2.813 . 3.802 2.713 2.513 2.787 . 0 0 "[ . 1 . 2]" 1
1040 1 73 ASP HA 1 77 TRP HE1 2.983 . 4.095 3.455 2.249 4.138 0.043 8 0 "[ . 1 . 2]" 1
1041 1 74 LYS H 1 74 LYS HA 2.758 . 3.709 2.913 2.847 2.945 . 0 0 "[ . 1 . 2]" 1
1042 1 74 LYS H 1 74 LYS HB3 2.590 . 3.429 3.620 3.435 3.739 0.310 12 0 "[ . 1 . 2]" 1
1043 1 74 LYS H 1 74 LYS HD3 3.027 . 4.173 3.835 2.812 4.979 0.806 12 4 "[ * .* 1 + -. 2]" 1
1044 1 74 LYS H 1 74 LYS HG3 2.829 . 3.829 4.125 3.788 4.391 0.562 12 2 "[ . - + . 2]" 1
1045 1 74 LYS H 1 75 GLU H 2.967 . 6.000 4.519 4.320 4.600 . 0 0 "[ . 1 . 2]" 1
1046 1 74 LYS H 1 77 TRP H 3.348 . 4.749 4.269 3.756 4.655 . 0 0 "[ . 1 . 2]" 1
1047 1 74 LYS H 1 77 TRP HD1 3.226 . 4.527 2.009 1.864 2.294 0.061 10 0 "[ . 1 . 2]" 1
1048 1 74 LYS HA 1 74 LYS HB3 2.556 . 3.373 2.514 2.454 2.662 . 0 0 "[ . 1 . 2]" 1
1049 1 74 LYS HA 1 74 LYS HD3 2.210 . 2.821 2.418 1.823 3.694 0.873 1 6 "[+ * ** 1 - *. 2]" 1
1050 1 74 LYS HA 1 74 LYS HG3 2.439 . 3.183 3.503 2.321 3.671 0.488 2 0 "[ . 1 . 2]" 1
1051 1 74 LYS HA 1 75 GLU H 2.223 . 2.841 2.351 2.202 2.497 . 0 0 "[ . 1 . 2]" 1
1052 1 74 LYS HA 1 76 ASN H 3.145 . 4.381 3.944 3.433 4.390 0.009 14 0 "[ . 1 . 2]" 1
1053 1 74 LYS HB3 1 74 LYS HD3 2.608 . 3.458 3.380 3.059 3.828 0.370 14 0 "[ . 1 . 2]" 1
1054 1 74 LYS HB3 1 74 LYS HG3 2.568 . 3.393 2.352 2.291 2.465 . 0 0 "[ . 1 . 2]" 1
1055 1 74 LYS HD3 1 75 GLU H 3.273 . 4.612 4.348 3.534 5.590 0.978 6 5 "[* *+ 1 * -. 2]" 1
1056 1 75 GLU H 1 75 GLU HA 2.634 . 3.501 2.884 2.772 2.912 . 0 0 "[ . 1 . 2]" 1
1057 1 75 GLU H 1 75 GLU HB3 2.334 . 3.015 2.929 2.141 3.634 0.619 6 9 "[* .+- *1* ** * *2]" 1
1058 1 75 GLU H 1 75 GLU HG3 2.805 . 3.789 3.224 2.052 4.541 0.752 8 5 "[ * - + * * . 2]" 1
1059 1 75 GLU H 1 76 ASN H 2.685 . 3.586 2.411 2.217 2.808 . 0 0 "[ . 1 . 2]" 1
1060 1 75 GLU H 1 76 ASN HA 3.225 . 6.000 4.991 4.818 5.361 . 0 0 "[ . 1 . 2]" 1
1061 1 75 GLU HA 1 76 ASN H 2.883 . 3.922 3.427 3.213 3.532 . 0 0 "[ . 1 . 2]" 1
1062 1 75 GLU HA 1 77 TRP H 3.324 . 4.705 4.268 3.956 4.621 . 0 0 "[ . 1 . 2]" 1
1063 1 75 GLU HA 1 79 LYS HE3 2.495 . 3.273 3.845 3.421 4.566 1.293 6 7 "[ * *+ 1- *. * *]" 1
1064 1 75 GLU HA 1 79 LYS HE3 2.561 . 3.381 4.023 3.441 5.165 1.784 18 7 "[ - ** 1* *. + *]" 1
1065 1 75 GLU HB3 1 76 ASN H 2.733 . 3.667 3.559 2.517 4.391 0.724 19 4 "[ . *1 * - +2]" 1
1066 1 75 GLU HG3 1 76 ASN H 3.133 . 4.360 3.963 2.272 4.563 0.203 12 0 "[ . 1 . 2]" 1
1067 1 76 ASN H 1 76 ASN HA 2.695 . 3.603 2.841 2.762 2.927 . 0 0 "[ . 1 . 2]" 1
1068 1 76 ASN H 1 76 ASN HB3 2.678 . 3.574 3.037 2.563 3.520 . 0 0 "[ . 1 . 2]" 1
1069 1 76 ASN H 1 77 TRP H 2.510 . 3.298 2.621 2.143 2.956 . 0 0 "[ . 1 . 2]" 1
1070 1 76 ASN HA 1 76 ASN HB3 2.040 . 2.560 2.575 2.277 2.940 0.380 18 0 "[ . 1 . 2]" 1
1071 1 76 ASN HA 1 77 TRP H 2.907 . 3.964 3.480 3.355 3.594 . 0 0 "[ . 1 . 2]" 1
1072 1 76 ASN HA 1 79 LYS H 3.268 . 4.603 3.580 3.115 4.258 . 0 0 "[ . 1 . 2]" 1
1073 1 77 TRP H 1 77 TRP HA 2.648 . 3.524 2.751 2.698 2.792 . 0 0 "[ . 1 . 2]" 1
1074 1 77 TRP H 1 77 TRP HB3 2.788 . 3.760 2.528 2.437 2.676 . 0 0 "[ . 1 . 2]" 1
1075 1 77 TRP H 1 77 TRP HD1 2.833 . 3.836 2.787 2.347 3.150 . 0 0 "[ . 1 . 2]" 1
1076 1 77 TRP HA 1 77 TRP HB3 2.355 . 3.048 2.447 2.373 2.545 . 0 0 "[ . 1 . 2]" 1
1077 1 77 TRP HA 1 80 GLU H 3.205 . 4.489 3.314 3.208 3.456 . 0 0 "[ . 1 . 2]" 1
1078 1 77 TRP HA 1 80 GLU HG3 2.773 . 3.735 2.041 1.730 2.256 0.081 18 0 "[ . 1 . 2]" 1
1079 1 77 TRP HB3 1 77 TRP HD1 2.920 . 3.986 2.632 2.551 2.726 . 0 0 "[ . 1 . 2]" 1
1080 1 78 PRO HA 1 78 PRO HB3 2.465 . 3.225 2.272 2.244 2.308 . 0 0 "[ . 1 . 2]" 1
1081 1 78 PRO HA 1 79 LYS H 2.526 . 3.324 2.734 2.691 2.760 . 0 0 "[ . 1 . 2]" 1
1082 1 78 PRO HA 1 81 LEU H 3.240 . 4.552 3.384 3.088 3.565 . 0 0 "[ . 1 . 2]" 1
1083 1 78 PRO HA 1 96 TRP HE1 2.936 . 4.013 3.092 2.715 3.345 . 0 0 "[ . 1 . 2]" 1
1084 1 78 PRO HA 1 96 TRP HZ2 2.478 . 3.245 3.417 3.260 3.553 0.308 20 0 "[ . 1 . 2]" 1
1085 1 78 PRO HB3 1 82 LYS H 5.133 3.906 6.360 6.427 5.584 6.910 0.550 11 1 "[ . 1+ . 2]" 1
1086 1 78 PRO HB3 1 96 TRP HE1 3.240 . 4.552 3.664 3.066 4.241 . 0 0 "[ . 1 . 2]" 1
1087 1 78 PRO HB3 1 96 TRP HZ2 2.792 . 3.767 2.864 2.398 3.517 . 0 0 "[ . 1 . 2]" 1
1088 1 79 LYS H 1 79 LYS HB3 2.249 . 2.881 2.459 1.780 3.434 0.553 1 5 "[+ **. - 1 * . 2]" 1
1089 1 79 LYS H 1 79 LYS HE3 2.967 . 4.067 4.101 3.539 4.400 0.333 20 0 "[ . 1 . 2]" 1
1090 1 79 LYS H 1 79 LYS HG3 3.428 . 4.896 2.969 1.863 3.566 0.097 4 0 "[ . 1 . 2]" 1
1091 1 79 LYS H 1 80 GLU H 2.460 . 3.217 2.387 2.227 2.667 . 0 0 "[ . 1 . 2]" 1
1092 1 79 LYS H 1 81 LEU H 3.277 . 4.620 3.952 3.789 4.290 . 0 0 "[ . 1 . 2]" 1
1093 1 79 LYS H 1 98 VAL MG2 3.253 . 4.576 3.384 2.860 4.332 . 0 0 "[ . 1 . 2]" 1
1094 1 79 LYS HA 1 80 GLU H 2.968 . 4.069 3.501 3.457 3.531 . 0 0 "[ . 1 . 2]" 1
1095 1 79 LYS HA 1 98 VAL HB 2.738 . 3.675 3.700 3.147 3.856 0.181 12 0 "[ . 1 . 2]" 1
1096 1 79 LYS HA 1 98 VAL QG 2.402 . 3.123 1.841 1.759 1.999 . 0 0 "[ . 1 . 2]" 1
1097 1 79 LYS HA 1 98 VAL MG2 2.535 . 4.338 2.374 1.900 3.719 . 0 0 "[ . 1 . 2]" 1
1098 1 79 LYS HD3 1 79 LYS HE3 2.061 . 2.592 2.587 2.380 3.047 0.455 4 0 "[ . 1 . 2]" 1
1099 1 79 LYS HE3 1 79 LYS HG3 2.841 . 4.265 3.445 2.476 4.091 . 0 0 "[ . 1 . 2]" 1
1100 1 80 GLU H 1 80 GLU HA 2.717 . 3.640 2.778 2.752 2.807 . 0 0 "[ . 1 . 2]" 1
1101 1 80 GLU H 1 80 GLU HB3 3.498 . 5.000 3.584 3.529 3.620 . 0 0 "[ . 1 . 2]" 1
1102 1 80 GLU H 1 80 GLU HG3 3.648 2.772 4.524 3.070 1.787 3.457 0.985 3 4 "[ + . 1 *- * 2]" 1
1103 1 80 GLU H 1 81 LEU H 2.753 . 3.700 2.744 2.615 2.879 . 0 0 "[ . 1 . 2]" 1
1104 1 80 GLU H 1 83 LEU QD 3.326 . 4.709 4.216 4.020 4.340 . 0 0 "[ . 1 . 2]" 1
1105 1 80 GLU HA 1 80 GLU HG3 3.294 2.636 3.952 3.794 3.366 3.966 0.014 17 0 "[ . 1 . 2]" 1
1106 1 80 GLU HA 1 83 LEU HB3 2.210 . 2.821 2.765 2.132 3.488 0.667 14 5 "[* . ** +. - 2]" 1
1107 1 81 LEU H 1 81 LEU HA 2.674 . 3.568 2.777 2.745 2.807 . 0 0 "[ . 1 . 2]" 1
1108 1 81 LEU H 1 81 LEU HB3 2.565 . 3.387 3.511 2.864 3.661 0.274 16 0 "[ . 1 . 2]" 1
1109 1 81 LEU H 1 81 LEU QD 2.977 . 4.627 2.220 1.902 3.530 0.033 7 0 "[ . 1 . 2]" 1
1110 1 81 LEU H 1 81 LEU HG 3.371 . 4.792 3.550 3.190 4.004 . 0 0 "[ . 1 . 2]" 1
1111 1 81 LEU H 1 82 LYS H 2.700 . 3.611 3.146 3.043 3.215 . 0 0 "[ . 1 . 2]" 1
1112 1 81 LEU HA 1 81 LEU HB3 2.695 . 3.603 2.622 2.502 2.942 . 0 0 "[ . 1 . 2]" 1
1113 1 81 LEU HA 1 81 LEU QD 2.793 . 3.768 2.766 2.598 2.917 . 0 0 "[ . 1 . 2]" 1
1114 1 81 LEU HA 1 82 LYS H 2.720 . 3.645 3.591 3.540 3.624 . 0 0 "[ . 1 . 2]" 1
1115 1 81 LEU HB3 1 81 LEU QD 2.331 . 2.822 2.124 1.928 2.251 . 0 0 "[ . 1 . 2]" 1
1116 1 81 LEU HB3 1 81 LEU HG 2.872 . 3.903 2.645 2.504 2.985 . 0 0 "[ . 1 . 2]" 1
1117 1 81 LEU HB3 1 82 LYS H 2.656 . 3.538 2.659 2.027 2.950 . 0 0 "[ . 1 . 2]" 1
1118 1 81 LEU HB3 1 84 ALA H 3.167 . 4.421 4.496 4.145 4.748 0.327 18 0 "[ . 1 . 2]" 1
1119 1 81 LEU HB3 1 96 TRP HE1 2.982 . 4.094 3.259 1.993 4.006 . 0 0 "[ . 1 . 2]" 1
1120 1 81 LEU MD1 1 81 LEU MD2 2.040 . 2.560 2.030 1.994 2.066 . 0 0 "[ . 1 . 2]" 1
1121 1 81 LEU QD 1 81 LEU HG 2.164 . 2.750 1.882 1.877 1.889 . 0 0 "[ . 1 . 2]" 1
1122 1 81 LEU QD 1 82 LYS H 3.146 . 6.000 3.569 3.180 3.694 . 0 0 "[ . 1 . 2]" 1
1123 1 81 LEU QD 1 96 TRP HE1 3.351 . 4.755 2.493 2.315 2.801 . 0 0 "[ . 1 . 2]" 1
1124 1 81 LEU QD 1 96 TRP HZ2 2.767 . 3.724 2.534 2.301 2.850 . 0 0 "[ . 1 . 2]" 1
1125 1 82 LYS H 1 82 LYS HA 2.618 . 3.475 2.800 2.752 2.820 . 0 0 "[ . 1 . 2]" 1
1126 1 82 LYS H 1 82 LYS HB3 2.595 . 3.437 2.532 2.275 2.676 . 0 0 "[ . 1 . 2]" 1
1127 1 82 LYS H 1 82 LYS HD3 2.957 . 6.000 5.048 4.786 5.968 . 0 0 "[ . 1 . 2]" 1
1128 1 82 LYS H 1 82 LYS HG3 2.721 . 6.000 4.475 4.280 4.671 . 0 0 "[ . 1 . 2]" 1
1129 1 82 LYS H 1 83 LEU H 2.614 . 3.468 2.644 2.569 2.774 . 0 0 "[ . 1 . 2]" 1
1130 1 82 LYS H 1 84 ALA H 2.634 . 6.000 4.297 4.057 4.467 . 0 0 "[ . 1 . 2]" 1
1131 1 82 LYS H 1 96 TRP HD1 3.027 . 4.172 2.256 1.879 2.605 0.003 16 0 "[ . 1 . 2]" 1
1132 1 82 LYS H 1 96 TRP HE1 3.009 . 4.141 3.255 2.933 3.446 . 0 0 "[ . 1 . 2]" 1
1133 1 82 LYS H 1 98 VAL MG1 3.082 . 4.270 3.128 2.602 4.248 . 0 0 "[ . 1 . 2]" 1
1134 1 82 LYS HA 1 82 LYS HB3 2.847 . 3.860 3.022 2.999 3.030 . 0 0 "[ . 1 . 2]" 1
1135 1 82 LYS HA 1 85 LEU HB3 2.726 . 3.655 3.366 2.495 4.039 0.384 14 0 "[ . 1 . 2]" 1
1136 1 82 LYS HA 1 85 LEU QD 5.516 . 6.307 3.032 2.603 3.466 . 0 0 "[ . 1 . 2]" 1
1137 1 82 LYS HA 1 93 SER HA 2.355 . 3.048 2.677 2.304 3.108 0.060 20 0 "[ . 1 . 2]" 1
1138 1 82 LYS HA 1 93 SER HA 2.518 . 3.311 2.636 2.300 3.026 . 0 0 "[ . 1 . 2]" 1
1139 1 82 LYS HA 1 96 TRP HD1 2.460 . 3.216 3.216 2.532 3.355 0.139 17 0 "[ . 1 . 2]" 1
1140 1 82 LYS HB3 1 82 LYS HD3 2.659 . 3.543 2.719 2.425 3.786 0.243 10 0 "[ . 1 . 2]" 1
1141 1 82 LYS HB3 1 83 LEU H 2.780 . 3.746 2.625 2.507 2.730 . 0 0 "[ . 1 . 2]" 1
1142 1 82 LYS HB3 1 83 LEU QD 5.871 4.841 6.901 4.406 2.927 4.912 1.914 18 5 "[* . -* *. + 2]" 1
1143 1 82 LYS HG3 1 86 GLU H 3.281 . 4.627 5.303 4.568 6.341 1.714 17 16 "[****** -*1** ***+ **]" 1
1144 1 83 LEU H 1 83 LEU HA 2.622 . 3.481 2.787 2.762 2.810 . 0 0 "[ . 1 . 2]" 1
1145 1 83 LEU H 1 83 LEU HB3 2.474 . 3.239 3.040 2.478 3.490 0.251 10 0 "[ . 1 . 2]" 1
1146 1 83 LEU H 1 83 LEU QD 2.575 . 6.000 3.379 1.963 3.623 . 0 0 "[ . 1 . 2]" 1
1147 1 83 LEU H 1 84 ALA H 2.497 . 3.276 2.745 2.641 2.847 . 0 0 "[ . 1 . 2]" 1
1148 1 83 LEU H 1 84 ALA H 2.461 . 3.218 2.421 2.332 2.498 . 0 0 "[ . 1 . 2]" 1
1149 1 83 LEU H 1 86 GLU HB3 3.103 . 4.306 3.605 3.340 4.146 . 0 0 "[ . 1 . 2]" 1
1150 1 83 LEU HA 1 83 LEU QD 2.745 . 3.126 1.947 1.829 2.089 . 0 0 "[ . 1 . 2]" 1
1151 1 83 LEU HB3 1 83 LEU QD 2.053 . 2.580 2.140 1.997 2.314 . 0 0 "[ . 1 . 2]" 1
1152 1 83 LEU HB3 1 84 ALA H 2.700 . 3.611 2.797 2.368 3.510 . 0 0 "[ . 1 . 2]" 1
1153 1 84 ALA H 1 84 ALA HA 2.295 . 2.953 2.809 2.781 2.867 . 0 0 "[ . 1 . 2]" 1
1154 1 84 ALA H 1 84 ALA MB 2.103 . 2.656 2.240 2.198 2.284 . 0 0 "[ . 1 . 2]" 1
1155 1 84 ALA H 1 85 LEU H 2.524 . 3.320 2.698 2.485 2.779 . 0 0 "[ . 1 . 2]" 1
1156 1 84 ALA H 1 85 LEU QD 2.928 . 4.000 3.649 3.464 3.729 . 0 0 "[ . 1 . 2]" 1
1157 1 84 ALA H 1 86 GLU H 3.324 . 4.705 3.853 3.697 3.931 . 0 0 "[ . 1 . 2]" 1
1158 1 84 ALA H 1 87 LYS H 3.049 . 6.000 4.853 4.571 5.003 . 0 0 "[ . 1 . 2]" 1
1159 1 84 ALA HA 1 84 ALA MB 1.909 . 2.365 2.117 2.107 2.124 . 0 0 "[ . 1 . 2]" 1
1160 1 84 ALA HA 1 85 LEU H 2.824 . 3.821 3.543 3.520 3.569 . 0 0 "[ . 1 . 2]" 1
1161 1 84 ALA HA 1 87 LYS HB3 2.298 . 2.958 4.236 3.462 4.703 1.745 6 20 [*****+***********-**] 1
1162 1 84 ALA MB 1 85 LEU H 2.547 . 6.000 2.426 2.307 2.582 . 0 0 "[ . 1 . 2]" 1
1163 1 85 LEU H 1 85 LEU HA 2.781 . 3.748 2.844 2.773 2.861 . 0 0 "[ . 1 . 2]" 1
1164 1 85 LEU H 1 85 LEU HB3 2.637 . 3.506 3.598 3.519 3.635 0.129 10 0 "[ . 1 . 2]" 1
1165 1 85 LEU H 1 85 LEU QD 2.866 . 3.669 2.021 1.889 2.080 . 0 0 "[ . 1 . 2]" 1
1166 1 85 LEU H 1 85 LEU HG 2.479 . 6.000 4.111 3.889 4.187 . 0 0 "[ . 1 . 2]" 1
1167 1 85 LEU H 1 87 LYS H 3.081 . 4.268 4.289 4.036 4.429 0.161 20 0 "[ . 1 . 2]" 1
1168 1 85 LEU HA 1 85 LEU HB3 2.551 . 3.364 2.439 1.851 2.599 . 0 0 "[ . 1 . 2]" 1
1169 1 85 LEU HA 1 85 LEU QD 2.743 . 2.746 1.863 1.790 1.932 0.012 18 0 "[ . 1 . 2]" 1
1170 1 85 LEU HA 1 85 LEU HG 2.859 . 3.881 3.527 3.433 3.704 . 0 0 "[ . 1 . 2]" 1
1171 1 85 LEU HA 1 88 GLU H 3.259 . 4.586 3.281 2.937 4.078 . 0 0 "[ . 1 . 2]" 1
1172 1 85 LEU HA 1 90 ASN HB3 2.907 . 3.963 3.087 2.676 3.467 . 0 0 "[ . 1 . 2]" 1
1173 1 85 LEU HA 1 93 SER H 3.315 . 4.689 4.593 4.284 4.716 0.027 19 0 "[ . 1 . 2]" 1
1174 1 85 LEU HB3 1 85 LEU QD 2.822 . 3.383 2.496 2.329 2.577 . 0 0 "[ . 1 . 2]" 1
1175 1 85 LEU HB3 1 93 SER HA 2.693 . 3.599 3.707 2.496 4.669 1.070 10 3 "[ . + - .* 2]" 1
1176 1 85 LEU HB3 1 93 SER HB3 2.406 . 3.130 3.103 1.851 4.649 1.519 10 5 "[* . + - .* *2]" 1
1177 1 85 LEU QD 1 86 GLU H 3.219 . 4.514 3.843 3.790 3.910 . 0 0 "[ . 1 . 2]" 1
1178 1 85 LEU QD 1 90 ASN H 3.147 . 4.385 3.060 2.731 3.476 . 0 0 "[ . 1 . 2]" 1
1179 1 85 LEU QD 1 93 SER H 3.362 . 4.775 3.494 2.873 3.814 . 0 0 "[ . 1 . 2]" 1
1180 1 85 LEU QD 1 93 SER HA 5.432 4.692 6.172 3.496 3.198 3.977 1.494 13 20 [************+**-****] 1
1181 1 86 GLU H 1 86 GLU HA 2.679 . 3.576 2.886 2.873 2.900 . 0 0 "[ . 1 . 2]" 1
1182 1 86 GLU H 1 86 GLU HB3 2.545 . 3.355 2.255 2.035 2.623 . 0 0 "[ . 1 . 2]" 1
1183 1 86 GLU H 1 86 GLU HG3 2.922 . 3.989 3.388 2.962 3.947 . 0 0 "[ . 1 . 2]" 1
1184 1 86 GLU H 1 87 LYS H 2.703 . 3.616 2.415 2.202 2.581 . 0 0 "[ . 1 . 2]" 1
1185 1 86 GLU H 1 89 ARG H 2.884 . 3.924 3.999 3.904 4.078 0.154 15 0 "[ . 1 . 2]" 1
1186 1 86 GLU HA 1 86 GLU HB3 2.594 . 3.435 2.734 2.502 2.962 . 0 0 "[ . 1 . 2]" 1
1187 1 86 GLU HA 1 86 GLU HG3 2.710 . 3.628 3.554 3.403 3.719 0.091 18 0 "[ . 1 . 2]" 1
1188 1 86 GLU HA 1 89 ARG H 2.741 . 3.680 3.316 3.034 3.623 . 0 0 "[ . 1 . 2]" 1
1189 1 86 GLU HA 1 89 ARG HA 2.249 . 2.881 3.021 2.792 3.136 0.255 20 0 "[ . 1 . 2]" 1
1190 1 86 GLU HB3 1 86 GLU HG3 2.165 . 2.751 2.735 2.511 3.006 0.255 1 0 "[ . 1 . 2]" 1
1191 1 86 GLU HB3 1 93 SER HB3 3.783 . 5.751 4.775 3.616 6.022 0.271 7 0 "[ . 1 . 2]" 1
1192 1 86 GLU HG3 1 87 LYS H 3.408 . 4.860 2.285 1.967 2.847 . 0 0 "[ . 1 . 2]" 1
1193 1 86 GLU HG3 1 87 LYS HB3 2.709 . 3.627 4.762 4.271 5.369 1.742 18 20 [*****-***********+**] 1
1194 1 86 GLU HG3 1 87 LYS HE3 2.872 . 3.903 2.710 2.422 3.166 . 0 0 "[ . 1 . 2]" 1
1195 1 87 LYS H 1 87 LYS HA 2.506 . 3.291 2.845 2.810 2.880 . 0 0 "[ . 1 . 2]" 1
1196 1 87 LYS H 1 87 LYS HB3 2.245 . 2.875 3.352 3.196 3.478 0.603 6 10 "[ * -*+ ***** . *2]" 1
1197 1 87 LYS H 1 87 LYS HD3 3.298 . 4.658 3.321 2.494 5.160 0.502 1 1 "[+ . 1 . 2]" 1
1198 1 87 LYS H 1 88 GLU H 2.666 . 3.554 2.532 2.391 2.645 . 0 0 "[ . 1 . 2]" 1
1199 1 87 LYS H 1 88 GLU HA 3.460 . 6.000 5.170 5.045 5.232 . 0 0 "[ . 1 . 2]" 1
1200 1 87 LYS H 1 89 ARG H 2.621 . 3.480 3.439 3.210 3.530 0.050 16 0 "[ . 1 . 2]" 1
1201 1 87 LYS HA 1 87 LYS HG3 2.646 . 3.521 2.283 2.028 2.403 . 0 0 "[ . 1 . 2]" 1
1202 1 87 LYS HA 1 88 GLU H 2.880 . 3.917 3.511 3.485 3.572 . 0 0 "[ . 1 . 2]" 1
1203 1 87 LYS HB3 1 87 LYS HE3 2.593 . 3.433 3.955 3.513 5.084 1.651 16 6 "[- * 1 *.+ * *]" 1
1204 1 87 LYS HB3 1 87 LYS HG3 2.267 . 2.910 2.552 2.418 2.972 0.062 6 0 "[ . 1 . 2]" 1
1205 1 87 LYS HB3 1 88 GLU H 2.533 . 3.335 2.891 2.731 3.221 . 0 0 "[ . 1 . 2]" 1
1206 1 87 LYS HG3 1 88 GLU H 3.315 . 4.689 4.787 4.520 4.873 0.184 1 0 "[ . 1 . 2]" 1
1207 1 88 GLU H 1 88 GLU HA 2.788 . 3.760 2.856 2.841 2.883 . 0 0 "[ . 1 . 2]" 1
1208 1 88 GLU H 1 88 GLU HG3 2.741 . 6.000 3.695 1.873 4.510 . 0 0 "[ . 1 . 2]" 1
1209 1 88 GLU H 1 89 ARG H 2.413 . 3.141 2.437 2.385 2.500 . 0 0 "[ . 1 . 2]" 1
1210 1 88 GLU H 1 90 ASN H 3.424 . 4.890 4.417 3.995 4.762 . 0 0 "[ . 1 . 2]" 1
1211 1 88 GLU HA 1 88 GLU HB3 2.341 . 3.026 2.600 2.414 3.032 0.006 13 0 "[ . 1 . 2]" 1
1212 1 88 GLU HA 1 88 GLU HG3 2.910 . 3.968 3.152 2.489 3.758 . 0 0 "[ . 1 . 2]" 1
1213 1 88 GLU HA 1 89 ARG H 2.887 . 3.929 3.392 3.350 3.458 . 0 0 "[ . 1 . 2]" 1
1214 1 88 GLU HA 1 89 ARG HG3 4.778 . 5.743 5.040 3.965 5.731 . 0 0 "[ . 1 . 2]" 1
1215 1 88 GLU HB3 1 88 GLU HG3 2.364 . 3.062 2.527 2.331 3.001 . 0 0 "[ . 1 . 2]" 1
1216 1 88 GLU HG3 1 90 ASN H 3.076 . 6.000 5.799 3.092 6.478 0.478 2 0 "[ . 1 . 2]" 1
1217 1 89 ARG H 1 89 ARG HA 2.222 . 2.839 2.252 2.239 2.269 . 0 0 "[ . 1 . 2]" 1
1218 1 89 ARG H 1 89 ARG HB3 2.681 . 3.580 4.075 3.921 4.143 0.563 1 11 "[+ * * - 1* **** **2]" 1
1219 1 89 ARG H 1 89 ARG HD3 3.346 . 4.745 4.599 3.417 5.502 0.757 14 5 "[ . - 1 **+. *]" 1
1220 1 89 ARG H 1 89 ARG HG3 2.533 . 3.335 3.795 2.663 4.584 1.249 1 12 "[+-***** ** ** *2]" 1
1221 1 89 ARG H 1 90 ASN H 2.535 . 3.338 2.766 2.457 3.025 . 0 0 "[ . 1 . 2]" 1
1222 1 89 ARG HA 1 89 ARG HB3 2.183 . 2.779 2.533 2.363 2.619 . 0 0 "[ . 1 . 2]" 1
1223 1 89 ARG HA 1 89 ARG HD3 2.316 . 4.286 3.544 1.890 4.615 0.329 17 0 "[ . 1 . 2]" 1
1224 1 89 ARG HA 1 89 ARG HG3 2.234 . 2.858 3.311 2.560 3.773 0.915 6 12 "[***-*+* ** ** *2]" 1
1225 1 89 ARG HA 1 90 ASN H 2.476 . 3.243 2.714 2.401 2.918 . 0 0 "[ . 1 . 2]" 1
1226 1 89 ARG HB3 1 89 ARG HG3 2.168 . 2.755 2.676 2.444 3.005 0.250 12 0 "[ . 1 . 2]" 1
1227 1 89 ARG HD3 1 89 ARG HG3 1.926 . 2.390 2.742 2.406 3.012 0.622 6 11 "[* -.+** 1****. * *]" 1
1228 1 90 ASN H 1 90 ASN HB3 2.494 . 3.271 2.548 2.346 2.838 . 0 0 "[ . 1 . 2]" 1
1229 1 90 ASN HA 1 90 ASN HB3 2.316 . 2.986 3.021 2.989 3.030 0.044 14 0 "[ . 1 . 2]" 1
1230 1 91 LYS HA 1 91 LYS HB3 2.317 . 2.988 2.846 2.209 3.021 0.033 3 0 "[ . 1 . 2]" 1
1231 1 91 LYS HA 1 91 LYS HG3 2.763 . 3.717 3.331 2.851 3.658 . 0 0 "[ . 1 . 2]" 1
1232 1 91 LYS HA 1 92 PHE H 3.106 . 4.312 3.484 3.372 3.546 . 0 0 "[ . 1 . 2]" 1
1233 1 91 LYS HA 1 93 SER H 2.910 . 3.969 3.810 3.651 3.997 0.028 6 0 "[ . 1 . 2]" 1
1234 1 91 LYS HA 1 94 GLU H 2.995 . 4.116 3.874 3.559 4.129 0.013 6 0 "[ . 1 . 2]" 1
1235 1 91 LYS HD3 1 92 PHE HA 2.838 . 3.845 4.075 3.484 5.082 1.237 3 3 "[ + .- * . 2]" 1
1236 1 92 PHE H 1 92 PHE HB3 3.015 . 4.151 2.689 2.587 2.813 . 0 0 "[ . 1 . 2]" 1
1237 1 92 PHE H 1 92 PHE QD 3.598 . 5.216 4.139 4.064 4.204 . 0 0 "[ . 1 . 2]" 1
1238 1 92 PHE H 1 93 SER H 2.796 . 3.773 2.714 2.564 2.841 . 0 0 "[ . 1 . 2]" 1
1239 1 92 PHE HA 1 92 PHE HB3 2.590 . 3.428 3.019 3.009 3.042 . 0 0 "[ . 1 . 2]" 1
1240 1 92 PHE HA 1 92 PHE QD 2.404 . 3.126 2.679 2.475 2.894 . 0 0 "[ . 1 . 2]" 1
1241 1 92 PHE HA 1 95 LEU H 3.201 . 4.481 2.722 2.670 2.786 . 0 0 "[ . 1 . 2]" 1
1242 1 92 PHE HA 1 95 LEU QD 2.509 . 3.296 2.236 1.655 2.738 0.067 12 0 "[ . 1 . 2]" 1
1243 1 92 PHE HA 1 95 LEU HG 2.489 . 3.263 2.560 2.084 3.553 0.290 4 0 "[ . 1 . 2]" 1
1244 1 92 PHE HB3 1 92 PHE QD 2.434 . 3.175 2.322 2.285 2.360 . 0 0 "[ . 1 . 2]" 1
1245 1 92 PHE HB3 1 93 SER H 3.251 . 4.572 3.052 2.844 3.151 . 0 0 "[ . 1 . 2]" 1
1246 1 92 PHE QD 1 95 LEU QD 2.643 . 3.516 2.377 2.131 2.563 . 0 0 "[ . 1 . 2]" 1
1247 1 92 PHE HE1 1 95 LEU QD 2.612 . 3.465 3.153 2.652 3.387 . 0 0 "[ . 1 . 2]" 1
1248 1 93 SER H 1 93 SER HA 2.398 . 3.117 2.429 2.316 2.701 . 0 0 "[ . 1 . 2]" 1
1249 1 93 SER H 1 94 GLU H 2.809 . 3.796 2.697 2.615 2.784 . 0 0 "[ . 1 . 2]" 1
1250 1 93 SER HA 1 94 GLU H 2.598 . 3.442 2.745 2.725 2.759 . 0 0 "[ . 1 . 2]" 1
1251 1 93 SER HA 1 96 TRP H 2.844 . 3.855 3.563 3.206 3.878 0.023 4 0 "[ . 1 . 2]" 1
1252 1 93 SER HA 1 96 TRP HB3 2.662 . 3.548 3.249 2.658 3.504 . 0 0 "[ . 1 . 2]" 1
1253 1 94 GLU H 1 94 GLU HB3 2.475 . 3.241 3.595 3.572 3.618 0.377 12 0 "[ . 1 . 2]" 1
1254 1 94 GLU H 1 94 GLU HG3 2.596 . 3.439 2.503 1.957 3.859 0.420 5 0 "[ . 1 . 2]" 1
1255 1 94 GLU H 1 95 LEU H 2.695 . 3.603 2.427 2.322 2.571 . 0 0 "[ . 1 . 2]" 1
1256 1 94 GLU H 1 96 TRP H 2.927 . 3.998 3.969 3.815 4.060 0.062 17 0 "[ . 1 . 2]" 1
1257 1 94 GLU HA 1 94 GLU HG3 2.170 . 2.758 3.275 2.830 3.749 0.991 18 13 "[ * -* * * **** *+**]" 1
1258 1 94 GLU HA 1 95 LEU H 2.954 . 4.045 3.461 3.386 3.546 . 0 0 "[ . 1 . 2]" 1
1259 1 94 GLU HB3 1 95 LEU H 2.982 . 4.094 3.919 3.604 4.178 0.084 8 0 "[ . 1 . 2]" 1
1260 1 94 GLU HB3 1 95 LEU HG 4.330 . 5.009 5.173 4.527 6.524 1.515 12 4 "[- *. 1 + . *2]" 1
1261 1 94 GLU HG3 1 95 LEU H 3.291 . 4.645 4.385 3.940 5.303 0.658 5 4 "[ + 1 *. *- 2]" 1
1262 1 95 LEU H 1 95 LEU HA 2.713 . 3.633 2.892 2.855 2.920 . 0 0 "[ . 1 . 2]" 1
1263 1 95 LEU H 1 95 LEU QD 2.727 . 3.657 2.529 1.514 2.889 0.283 1 0 "[ . 1 . 2]" 1
1264 1 95 LEU H 1 95 LEU HG 2.465 . 3.224 2.319 1.676 3.508 0.284 12 0 "[ . 1 . 2]" 1
1265 1 95 LEU HA 1 95 LEU HB3 2.194 . 2.796 2.296 2.261 2.321 . 0 0 "[ . 1 . 2]" 1
1266 1 95 LEU HA 1 95 LEU QD 2.954 2.477 3.431 2.509 2.279 3.277 0.198 16 0 "[ . 1 . 2]" 1
1267 1 95 LEU HA 1 96 TRP H 2.892 . 3.937 3.462 3.371 3.506 . 0 0 "[ . 1 . 2]" 1
1268 1 95 LEU HB3 1 95 LEU QD 2.427 . 3.163 2.148 2.101 2.243 . 0 0 "[ . 1 . 2]" 1
1269 1 95 LEU QD 1 95 LEU HG 2.083 . 2.521 1.876 1.816 1.896 . 0 0 "[ . 1 . 2]" 1
1270 1 95 LEU QD 1 96 TRP H 3.383 . 4.813 3.416 1.762 4.074 0.191 4 0 "[ . 1 . 2]" 1
1271 1 95 LEU HG 1 96 TRP H 2.977 . 4.085 3.844 3.199 4.317 0.232 1 0 "[ . 1 . 2]" 1
1272 1 96 TRP H 1 96 TRP HA 2.737 . 3.673 2.861 2.825 2.904 . 0 0 "[ . 1 . 2]" 1
1273 1 96 TRP H 1 96 TRP HB3 2.542 . 3.350 2.636 2.589 2.695 . 0 0 "[ . 1 . 2]" 1
1274 1 96 TRP H 1 97 ILE H 3.390 . 4.827 4.564 4.442 4.640 . 0 0 "[ . 1 . 2]" 1
1275 1 96 TRP HA 1 96 TRP HB3 2.493 . 3.270 3.031 3.017 3.042 . 0 0 "[ . 1 . 2]" 1
1276 1 96 TRP HA 1 97 ILE H 2.282 . 2.933 2.202 2.130 2.259 . 0 0 "[ . 1 . 2]" 1
1277 1 96 TRP HB3 1 96 TRP HD1 3.039 . 4.194 2.565 2.545 2.578 . 0 0 "[ . 1 . 2]" 1
1278 1 96 TRP HB3 1 97 ILE H 3.364 . 4.779 4.044 3.814 4.260 . 0 0 "[ . 1 . 2]" 1
1279 1 96 TRP HE1 1 98 VAL HA 4.355 . 5.762 5.183 4.865 5.604 . 0 0 "[ . 1 . 2]" 1
1280 1 96 TRP HH2 1 97 ILE H 5.575 . 9.000 5.658 5.353 5.899 . 0 0 "[ . 1 . 2]" 1
1281 1 97 ILE H 1 97 ILE HA 2.868 . 3.897 2.944 2.906 2.956 . 0 0 "[ . 1 . 2]" 1
1282 1 97 ILE H 1 97 ILE HB 2.482 . 3.252 2.758 2.656 2.870 . 0 0 "[ . 1 . 2]" 1
1283 1 97 ILE H 1 97 ILE MD 2.728 . 6.000 3.684 2.890 4.018 . 0 0 "[ . 1 . 2]" 1
1284 1 97 ILE H 1 97 ILE HG13 2.928 . 4.000 2.749 2.171 3.782 . 0 0 "[ . 1 . 2]" 1
1285 1 97 ILE H 1 98 VAL H 3.180 . 4.444 3.721 3.448 4.045 . 0 0 "[ . 1 . 2]" 1
1286 1 97 ILE HA 1 97 ILE HB 2.642 . 3.514 3.007 2.983 3.018 . 0 0 "[ . 1 . 2]" 1
1287 1 97 ILE HA 1 97 ILE MD 2.030 . 2.545 2.229 1.975 2.346 . 0 0 "[ . 1 . 2]" 1
1288 1 97 ILE HA 1 97 ILE HG13 2.775 . 3.738 3.407 3.183 3.898 0.160 7 0 "[ . 1 . 2]" 1
1289 1 97 ILE HA 1 97 ILE MG 2.198 . 2.802 2.311 2.228 2.368 . 0 0 "[ . 1 . 2]" 1
1290 1 97 ILE HA 1 98 VAL H 2.092 . 2.639 2.376 2.165 2.475 . 0 0 "[ . 1 . 2]" 1
1291 1 97 ILE HB 1 97 ILE MD 2.803 . 3.785 2.663 2.450 3.229 . 0 0 "[ . 1 . 2]" 1
1292 1 97 ILE HB 1 97 ILE MD 2.074 . 2.612 2.012 1.984 2.075 . 0 0 "[ . 1 . 2]" 1
1293 1 97 ILE HB 1 97 ILE HG13 2.471 . 3.234 2.439 2.418 2.472 . 0 0 "[ . 1 . 2]" 1
1294 1 97 ILE MD 1 97 ILE HG13 2.271 . 2.916 2.112 2.107 2.115 . 0 0 "[ . 1 . 2]" 1
1295 1 97 ILE MD 1 97 ILE MG 1.712 . 2.079 1.938 1.805 1.983 . 0 0 "[ . 1 . 2]" 1
1296 1 97 ILE MD 1 98 VAL H 2.637 . 6.000 3.522 3.049 3.720 . 0 0 "[ . 1 . 2]" 1
1297 1 98 VAL H 1 98 VAL HA 2.712 . 3.631 2.959 2.935 2.976 . 0 0 "[ . 1 . 2]" 1
1298 1 98 VAL H 1 98 VAL HB 2.632 . 3.498 2.988 2.470 3.738 0.240 7 0 "[ . 1 . 2]" 1
1299 1 98 VAL H 1 98 VAL MG1 3.500 2.719 4.281 2.649 2.085 3.794 0.634 1 7 "[+* -* *1 .** 2]" 1
1300 1 98 VAL H 1 99 GLU HA 2.634 . 6.000 4.961 4.624 5.453 . 0 0 "[ . 1 . 2]" 1
1301 1 98 VAL HA 1 98 VAL HB 2.340 . 3.024 2.647 2.480 3.042 0.018 19 0 "[ . 1 . 2]" 1
1302 1 98 VAL HA 1 98 VAL QG 2.006 . 2.509 2.218 2.075 2.307 . 0 0 "[ . 1 . 2]" 1
1303 1 98 VAL HA 1 98 VAL MG2 2.326 . 3.003 2.414 2.167 3.209 0.206 10 0 "[ . 1 . 2]" 1
1304 1 98 VAL HA 1 99 GLU H 2.190 . 2.789 2.250 2.156 2.403 . 0 0 "[ . 1 . 2]" 1
1305 1 98 VAL HB 1 98 VAL QG 2.069 . 2.604 1.881 1.854 1.891 . 0 0 "[ . 1 . 2]" 1
1306 1 98 VAL HB 1 99 GLU H 2.893 . 6.000 3.765 1.907 4.351 . 0 0 "[ . 1 . 2]" 1
1307 1 98 VAL MG1 1 99 GLU H 2.715 . 3.636 3.119 2.147 3.584 . 0 0 "[ . 1 . 2]" 1
1308 1 99 GLU H 1 99 GLU HB3 2.734 . 3.669 3.547 2.681 3.795 0.126 3 0 "[ . 1 . 2]" 1
1309 1 99 GLU H 1 99 GLU HG3 2.933 . 4.008 3.323 2.597 4.787 0.779 9 1 "[ . +1 . 2]" 1
1310 1 99 GLU HA 1 99 GLU HB3 2.147 . 2.723 2.589 2.412 3.019 0.296 7 0 "[ . 1 . 2]" 1
1311 1 99 GLU HA 1 99 GLU HG3 2.176 . 2.768 2.965 2.410 3.574 0.806 1 3 "[+ . *1 . - 2]" 1
1312 1 99 GLU HA 1 100 LYS H 1.954 . 2.431 2.408 2.213 2.550 0.119 19 0 "[ . 1 . 2]" 1
1313 1 99 GLU HB3 1 100 LYS HD3 3.284 2.632 3.936 2.835 2.165 4.269 0.467 5 0 "[ . 1 . 2]" 1
1314 1 99 GLU HG3 1 100 LYS H 3.079 . 4.264 4.413 2.712 4.980 0.716 3 7 "[ + .* * .***-2]" 1
1315 1 100 LYS H 1 100 LYS HA 2.515 . 6.000 2.570 2.256 2.819 . 0 0 "[ . 1 . 2]" 1
1316 1 100 LYS H 1 100 LYS HB3 2.687 . 3.590 3.095 2.294 4.139 0.549 12 2 "[ . - 1 + . 2]" 1
1317 1 100 LYS H 1 100 LYS HD3 2.384 . 3.095 2.912 1.671 4.636 1.541 7 7 "[-* . + 1** * *]" 1
1318 1 100 LYS H 1 100 LYS HG3 3.581 2.748 4.414 3.458 1.700 4.817 1.048 2 4 "[ + -. * . * 2]" 1
1319 1 100 LYS HB3 1 100 LYS HG3 2.647 . 3.523 2.516 2.403 2.658 . 0 0 "[ . 1 . 2]" 1
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