NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386149 |
1lc2   |
5372 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lc2
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 1507
_Distance_constraint_stats_list.Viol_count 4455
_Distance_constraint_stats_list.Viol_total 27599.391
_Distance_constraint_stats_list.Viol_max 1.515
_Distance_constraint_stats_list.Viol_rms 0.1028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0203
_Distance_constraint_stats_list.Viol_average_violations_only 0.2065
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 17.409 1.515 19 14 "[ **-. **1 * * * +2 * * ** *]"
1 2 ASP 1.493 0.231 14 0 "[ . 1 . 2 . 3]"
1 3 VAL 1.326 0.141 22 0 "[ . 1 . 2 . 3]"
1 4 GLU 11.193 0.227 14 0 "[ . 1 . 2 . 3]"
1 5 LYS 20.620 0.999 16 13 "[ ***** -1* .+* *2 *. **3]"
1 6 GLY 10.468 0.225 18 0 "[ . 1 . 2 . 3]"
1 7 LYS 44.317 1.481 22 24 "[ * ******1 *-********+*** ** *]"
1 8 LYS 46.928 1.481 22 24 "[ * ******* *-********+*** ** 3]"
1 9 ILE 2.717 0.363 23 0 "[ . 1 . 2 . 3]"
1 10 PHE 11.886 0.618 5 1 "[ + 1 . 2 . 3]"
1 11 VAL 7.458 0.248 26 0 "[ . 1 . 2 . 3]"
1 12 GLN 26.015 1.485 11 10 "[ * .* 1+* * -*** . * 3]"
1 13 LYS 28.298 1.485 11 10 "[ * .- 1+* * **** . * 3]"
1 14 CYS 11.098 0.468 1 0 "[ . 1 . 2 . 3]"
1 15 ALA 7.221 0.224 26 0 "[ . 1 . 2 . 3]"
1 16 GLN 4.724 0.264 17 0 "[ . 1 . 2 . 3]"
1 17 CYS 5.131 0.379 19 0 "[ . 1 . 2 . 3]"
1 18 HIS 13.853 0.758 17 7 "[ * * 1 . + 2 * * *-]"
1 19 THR 1.516 0.454 3 0 "[ . 1 . 2 . 3]"
1 20 VAL 5.750 0.734 3 6 "[ + . 1 * . **2 -* 3]"
1 21 GLU 0.027 0.024 6 0 "[ . 1 . 2 . 3]"
1 22 LYS 12.129 0.985 18 3 "[ * . 1 . + 2 * 3]"
1 23 GLY 2.794 0.309 17 0 "[ . 1 . 2 . 3]"
1 24 GLY 2.776 0.448 9 0 "[ . 1 . 2 . 3]"
1 25 LYS 15.075 1.256 28 10 "[* **- 1 * . 2** .* +*3]"
1 26 HIS 16.209 0.795 12 14 "[* **.* 1 + -* * ** * .** *]"
1 27 LYS 14.559 0.921 17 13 "[ ** * 1** *.*+* 2- ** * 3]"
1 28 THR 4.543 0.609 12 1 "[ . 1 + . 2 . 3]"
1 29 GLY 0.779 0.379 19 0 "[ . 1 . 2 . 3]"
1 30 PRO 17.316 1.341 22 14 "[ * ** ** ** * ** * + * -]"
1 31 ASN 47.994 1.256 28 25 "[***** **** *** ********* *+*-]"
1 32 LEU 4.738 0.578 29 2 "[ . 1 . 2 - +3]"
1 33 HIS 35.941 0.809 16 17 "[ **** * * *.+ *-2 * ******3]"
1 34 GLY 24.339 0.869 27 17 "[* * * *1 *** * * ***-*+* *]"
1 35 LEU 21.756 0.869 27 10 "[* * . *1 - * ***. + *]"
1 36 PHE 19.452 0.780 25 11 "[ ** * **1 . * * -*+ * 3]"
1 37 GLY 2.266 0.190 29 0 "[ . 1 . 2 . 3]"
1 38 ARG 40.230 1.378 24 19 "[* * .* **1 **** * *** +.-****]"
1 39 LYS 25.009 1.264 16 16 "[* .* **1 **.+ * *** *.-***3]"
1 40 THR 7.307 0.789 28 8 "[ . * *- ** * . + *]"
1 41 GLY 22.960 0.861 18 16 "[** *. *** *** *+ - * ** *3]"
1 42 GLN 32.242 1.378 24 16 "[ **.* * * ** -* **+.* ***]"
1 43 ALA 11.618 0.815 28 14 "[* * . ** * **** - *+**]"
1 44 PRO 42.089 0.795 12 26 "[****.***** + -* **************]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 PHE 1.117 0.125 5 0 "[ . 1 . 2 . 3]"
1 47 THR 0.050 0.050 10 0 "[ . 1 . 2 . 3]"
1 48 TYR 5.863 0.793 4 4 "[ +* 1 . *2 . -]"
1 49 THR 2.815 0.199 3 0 "[ . 1 . 2 . 3]"
1 50 ASP 4.348 0.793 4 4 "[ +* 1 . *2 . -]"
1 51 ALA 0.096 0.067 3 0 "[ . 1 . 2 . 3]"
1 52 ASN 5.698 0.214 12 0 "[ . 1 . 2 . 3]"
1 53 LYS 36.542 1.341 22 24 "[ * **** ******* *****+* **** -]"
1 54 ASN 21.475 1.223 19 20 "[ * *.** *** **. **+- **** ***3]"
1 55 LYS 13.674 0.747 21 11 "[ *.*- 1* . * *+ .* ***]"
1 56 GLY 14.251 0.785 1 12 "[+ *.- 1* * * * * ** **]"
1 57 ILE 18.711 0.784 24 8 "[ * -. 1* .* ** +. * 3]"
1 58 THR 15.660 0.850 19 13 "[- * ** * ** +* * .** *3]"
1 59 TRP 19.993 0.784 24 8 "[ * -. 1* .* ** +. * 3]"
1 60 LYS 32.635 1.435 5 18 "[-* *+*** ** *.* ** ** .** *3]"
1 61 GLU 67.095 1.435 5 29 "[****+************ ****-*******]"
1 62 GLU 41.080 0.877 4 21 "[***+* **1 *** ****-*** ***]"
1 63 THR 8.393 0.601 10 1 "[ . + . 2 . 3]"
1 64 LEU 26.341 0.691 12 7 "[ * 1*+ .* -* * 3]"
1 65 MET 18.625 0.917 25 15 "[* -. **** ***.** 2 *+* * 3]"
1 66 GLU 18.491 0.649 30 1 "[ . 1 . 2 . +]"
1 67 TYR 29.975 1.138 12 8 "[ * - ** 1 + .* * . *3]"
1 68 LEU 12.655 1.138 12 8 "[ * - ** 1 + .* * . *3]"
1 69 GLU 13.987 0.649 30 1 "[ . 1 . 2 . +]"
1 70 ASN 6.778 0.421 11 0 "[ . 1 . 2 . 3]"
1 71 PRO 21.858 0.858 16 18 "[ * *. -* 1 * **+ **2******* *3]"
1 72 LYS 27.028 0.715 27 10 "[* * ** 1** *- 2* . + 3]"
1 73 LYS 8.418 0.886 2 8 "[*+ . 1 -* . ** * . *3]"
1 74 TYR 13.349 0.886 2 5 "[ + . 1 * . *2 - . *3]"
1 75 ILE 15.782 0.866 3 10 "[* +*. 1 * . ** 2 * * *-]"
1 76 PRO 8.623 0.866 3 9 "[* +*. 1 . ** 2 * * *-]"
1 77 GLY 5.816 0.563 5 1 "[ + 1 . 2 . 3]"
1 78 THR 7.715 0.498 4 0 "[ . 1 . 2 . 3]"
1 79 LYS 24.143 0.858 16 18 "[ * *. ** 1 * **+ **2*-***** *3]"
1 80 MET 0.316 0.077 5 0 "[ . 1 . 2 . 3]"
1 81 ILE 0.389 0.365 16 0 "[ . 1 . 2 . 3]"
1 82 PHE 16.711 0.794 22 7 "[ * .* *1 .- 2*+ . * 3]"
1 83 ALA 3.895 0.677 11 3 "[ .- 1+ . 2* . 3]"
1 84 GLY 0.301 0.183 13 0 "[ . 1 . 2 . 3]"
1 85 ILE 52.177 1.269 29 28 "[ * ******************-******+*]"
1 86 LYS 13.047 0.734 24 7 "[ .* 1* **. - +* 3]"
1 87 LYS 23.969 1.222 10 18 "[ * ** ***+* *. ** * *- * ***3]"
1 88 LYS 11.379 0.703 27 10 "[ *** 1** *.* 2 . +- *]"
1 89 THR 10.163 0.789 22 8 "[ . * 1* *. - 2 +* . * *]"
1 90 GLU 12.041 1.132 20 6 "[ . **1* . + - *3]"
1 91 ARG 26.429 0.823 28 15 "[* *. -** *** ** * .**+ *]"
1 92 GLU 60.247 1.515 19 27 "[*********-******* +2 *********]"
1 93 ASP 45.614 1.269 29 29 "[ ********************-******+*]"
1 94 LEU 5.239 0.308 29 0 "[ . 1 . 2 . 3]"
1 95 ILE 23.596 0.776 16 15 "[* ** **** **+ ** - * * 3]"
1 96 ALA 6.144 0.638 9 4 "[* . +1 . 2 - * 3]"
1 97 TYR 6.650 0.618 5 1 "[ + 1 . 2 . 3]"
1 98 LEU 0.375 0.080 3 0 "[ . 1 . 2 . 3]"
1 99 LYS 20.825 0.902 3 13 "[ *+ * **1 * * * -** **3]"
1 100 LYS 13.213 0.902 3 7 "[* + . *1 * 2 - * *3]"
1 101 ALA 17.258 0.902 20 17 "[ * ** -1****.*** +* **. * *]"
1 102 THR 2.266 0.278 1 0 "[ . 1 . 2 . 3]"
1 103 ASN 9.559 0.989 20 5 "[ * . 1 - . +* . *]"
1 104 GLU 23.049 0.989 20 19 "[ ** ** *1*-**.*** +* *** * *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 ASP H . . 3.690 2.459 2.050 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 GLY QA 1 92 GLU QB . . 4.970 3.222 1.842 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 GLY QA 1 92 GLU QG . . 3.790 4.259 2.478 5.305 1.515 19 14 "[ **-. **1 * * * +2 * * ** *]" 1
4 1 1 GLY QA 1 96 ALA MB . . 6.730 3.708 2.043 5.325 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 ASP H 1 2 ASP HB2 . . 3.290 2.601 2.314 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 ASP H 1 2 ASP HB3 . . 3.790 3.508 2.551 3.800 0.010 27 0 "[ . 1 . 2 . 3]" 1
7 1 2 ASP H 1 3 VAL H . . 5.700 4.428 3.364 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 ASP H 1 5 LYS H . . 5.700 4.580 3.754 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 ASP H 1 5 LYS QB . . 6.100 3.236 2.076 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 ASP H 1 93 ASP H . . 5.700 4.530 3.634 5.818 0.118 9 0 "[ . 1 . 2 . 3]" 1
11 1 2 ASP H 1 93 ASP HA . . 4.810 2.766 1.992 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 ASP H 1 96 ALA MB . . 5.510 3.808 2.917 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 ASP HA 1 2 ASP HB3 . . 3.090 2.562 2.392 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 ASP HA 1 3 VAL H . . 3.090 2.327 2.127 3.231 0.141 22 0 "[ . 1 . 2 . 3]" 1
15 1 2 ASP HA 1 4 GLU H . . 5.240 4.484 3.588 5.294 0.054 22 0 "[ . 1 . 2 . 3]" 1
16 1 2 ASP HA 1 5 LYS QB . . 6.290 4.883 4.174 6.170 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 ASP HA 1 96 ALA MB . . 6.730 3.450 2.770 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 ASP HB2 1 3 VAL H . . 4.740 3.872 2.088 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 2 ASP HB2 1 5 LYS H . . 3.550 3.046 2.036 3.781 0.231 14 0 "[ . 1 . 2 . 3]" 1
20 1 2 ASP HB2 1 5 LYS QB . . 6.360 2.801 2.245 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 2 ASP HB3 1 3 VAL H . . 4.020 3.039 2.017 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 2 ASP HB3 1 5 LYS H . . 3.550 3.179 1.901 3.641 0.091 9 0 "[ . 1 . 2 . 3]" 1
23 1 2 ASP HB3 1 5 LYS QB . . 5.340 3.741 2.086 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 2 ASP HB3 1 96 ALA MB . . 6.730 5.123 4.512 6.059 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 VAL H 1 3 VAL HB . . 3.490 2.744 2.284 3.617 0.127 1 0 "[ . 1 . 2 . 3]" 1
26 1 3 VAL H 1 4 GLU H . . 3.490 2.790 1.883 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 VAL H 1 4 GLU HA . . 5.500 5.338 4.495 5.597 0.097 29 0 "[ . 1 . 2 . 3]" 1
28 1 3 VAL H 1 5 LYS H . . 4.910 4.319 2.815 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 VAL H 1 6 GLY H . . 5.110 4.715 3.385 5.141 0.031 18 0 "[ . 1 . 2 . 3]" 1
30 1 3 VAL H 1 96 ALA MB . . 6.530 3.560 2.625 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 VAL HA 1 6 GLY H . . 4.210 3.483 3.064 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 VAL HA 1 7 LYS H . . 4.780 4.002 3.398 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 VAL HA 1 96 ALA H . . 5.700 5.342 4.780 5.773 0.073 1 0 "[ . 1 . 2 . 3]" 1
34 1 4 GLU H 1 4 GLU HB2 . . 3.420 2.360 2.022 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 GLU H 1 4 GLU HB3 . . 3.950 3.543 3.324 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 GLU H 1 4 GLU HG2 . . 4.450 3.724 3.450 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 GLU H 1 4 GLU HG3 . . 4.210 3.699 2.809 4.321 0.111 14 0 "[ . 1 . 2 . 3]" 1
38 1 4 GLU H 1 5 LYS H . . 3.090 2.938 2.641 3.135 0.045 30 0 "[ . 1 . 2 . 3]" 1
39 1 4 GLU H 1 5 LYS QB . . 6.190 4.936 4.521 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 GLU H 1 6 GLY H . . 4.020 3.956 3.613 4.082 0.062 23 0 "[ . 1 . 2 . 3]" 1
41 1 4 GLU H 1 7 LYS QB . . 6.590 5.837 4.987 6.462 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 GLU HA 1 4 GLU HB3 . . 2.470 2.551 2.439 2.697 0.227 14 0 "[ . 1 . 2 . 3]" 1
43 1 4 GLU HA 1 5 LYS H . . 3.520 3.564 3.488 3.633 0.113 14 0 "[ . 1 . 2 . 3]" 1
44 1 4 GLU HA 1 6 GLY H . . 3.880 3.913 3.493 4.052 0.172 26 0 "[ . 1 . 2 . 3]" 1
45 1 4 GLU HA 1 7 LYS QB . . 4.540 4.127 2.561 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 GLU HA 1 7 LYS QG . . 3.590 2.245 1.986 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 GLU HB2 1 5 LYS H . . 2.930 2.686 2.309 2.994 0.064 13 0 "[ . 1 . 2 . 3]" 1
48 1 4 GLU HB2 1 6 GLY H . . 4.740 4.800 4.560 4.935 0.195 13 0 "[ . 1 . 2 . 3]" 1
49 1 4 GLU HB3 1 4 GLU HG2 . . 2.400 2.444 2.260 2.530 0.130 11 0 "[ . 1 . 2 . 3]" 1
50 1 4 GLU HB3 1 4 GLU HG3 . . 2.630 2.375 2.240 2.671 0.041 8 0 "[ . 1 . 2 . 3]" 1
51 1 4 GLU HB3 1 5 LYS HA . . 4.510 4.394 4.121 4.642 0.132 26 0 "[ . 1 . 2 . 3]" 1
52 1 5 LYS H 1 5 LYS QB . . 3.590 2.486 2.317 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 5 LYS H 1 5 LYS QE . . 3.520 3.965 3.079 4.519 0.999 16 13 "[ ***** -1* .+* *2 *. **3]" 1
54 1 5 LYS H 1 5 LYS HG2 . . 3.090 2.757 1.882 3.244 0.154 12 0 "[ . 1 . 2 . 3]" 1
55 1 5 LYS H 1 5 LYS HG3 . . 2.960 2.597 1.951 3.184 0.224 27 0 "[ . 1 . 2 . 3]" 1
56 1 5 LYS H 1 6 GLY H . . 3.090 2.620 2.204 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 LYS H 1 93 ASP QB . . 5.340 4.364 3.718 5.351 0.011 22 0 "[ . 1 . 2 . 3]" 1
58 1 5 LYS HA 1 5 LYS HG2 . . 2.990 2.644 2.252 3.141 0.151 18 0 "[ . 1 . 2 . 3]" 1
59 1 5 LYS HA 1 6 GLY H . . 3.690 3.479 3.302 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 LYS HA 1 8 LYS QB . . 4.910 3.851 2.433 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 LYS HA 1 8 LYS QE . . 5.700 3.275 1.932 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 LYS QB 1 6 GLY HA3 . . 5.400 4.378 4.028 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 LYS QB 1 8 LYS QE . . 6.590 4.052 2.157 6.310 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 LYS QB 1 93 ASP QB . . 6.590 2.635 2.100 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 LYS QD 1 89 THR MG . . 5.610 4.197 2.958 5.505 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 LYS HG2 1 6 GLY H . . 5.700 4.755 3.889 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 LYS HG3 1 6 GLY H . . 5.700 4.611 4.159 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 6 GLY H 1 7 LYS H . . 3.130 2.532 2.276 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 GLY H 1 7 LYS HA . . 5.010 5.131 4.920 5.235 0.225 18 0 "[ . 1 . 2 . 3]" 1
70 1 6 GLY H 1 7 LYS QG . . 5.700 3.880 3.469 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 GLY H 1 9 ILE H . . 5.700 4.806 4.550 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 GLY H 1 93 ASP QB . . 5.040 3.018 2.579 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 GLY H 1 97 TYR QB . . 5.540 3.463 3.076 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 GLY HA2 1 9 ILE HB . . 4.350 4.075 2.805 4.558 0.208 1 0 "[ . 1 . 2 . 3]" 1
75 1 6 GLY HA2 1 10 PHE HB2 . . 4.910 4.700 4.192 5.041 0.131 20 0 "[ . 1 . 2 . 3]" 1
76 1 6 GLY HA2 1 90 GLU HB3 . . 5.700 5.438 4.582 5.867 0.167 17 0 "[ . 1 . 2 . 3]" 1
77 1 6 GLY HA2 1 93 ASP QB . . 5.700 2.507 2.091 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 6 GLY HA2 1 94 LEU HA . . 4.880 3.355 2.421 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 6 GLY HA2 1 94 LEU QD . . 4.550 2.759 2.086 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 6 GLY HA2 1 97 TYR QB . . 5.110 3.596 3.209 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 6 GLY HA3 1 7 LYS H . . 3.850 2.770 2.587 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 6 GLY HA3 1 93 ASP QB . . 4.280 2.849 2.347 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 6 GLY HA3 1 94 LEU QD . . 4.950 3.376 2.728 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 6 GLY HA3 1 94 LEU HG . . 5.700 5.248 3.690 5.791 0.091 23 0 "[ . 1 . 2 . 3]" 1
85 1 7 LYS H 1 7 LYS HA . . 3.030 2.831 2.739 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 LYS H 1 7 LYS QB . . 3.520 2.581 2.182 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 LYS H 1 7 LYS QD . . 5.700 4.153 3.736 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 LYS H 1 7 LYS QG . . 2.960 2.241 1.940 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 LYS H 1 8 LYS H . . 3.320 2.840 2.596 3.323 0.003 16 0 "[ . 1 . 2 . 3]" 1
90 1 7 LYS H 1 9 ILE H . . 5.070 4.463 4.217 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 LYS H 1 10 PHE H . . 5.670 4.753 4.579 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 LYS HA 1 7 LYS QD . . 3.820 4.142 2.897 4.600 0.780 19 9 "[ .* *1 . *+** -. * *]" 1
93 1 7 LYS HA 1 8 LYS H . . 3.460 3.464 2.665 3.545 0.085 5 0 "[ . 1 . 2 . 3]" 1
94 1 7 LYS HA 1 10 PHE H . . 4.150 3.446 2.913 4.167 0.017 10 0 "[ . 1 . 2 . 3]" 1
95 1 7 LYS HA 1 10 PHE HB2 . . 4.810 3.286 2.696 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 LYS HA 1 97 TYR QB . . 4.310 3.769 3.393 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 7 LYS HA 1 97 TYR QD . . 5.700 3.456 3.083 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 7 LYS HA 1 97 TYR HE2 . . 5.700 4.013 3.417 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 7 LYS QB 1 8 LYS QG . . 5.930 5.046 2.670 6.312 0.382 28 0 "[ . 1 . 2 . 3]" 1
100 1 7 LYS QB 1 11 VAL H . . 6.590 4.596 3.849 5.583 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 7 LYS QD 1 8 LYS H . . 4.310 4.087 2.822 5.084 0.774 16 1 "[ . 1 .+ 2 . 3]" 1
102 1 7 LYS QD 1 8 LYS QG . . 4.210 4.924 3.492 5.691 1.481 22 21 "[ * ******1 * ********+-** * 3]" 1
103 1 7 LYS QG 1 8 LYS H . . 3.460 2.454 2.053 3.912 0.452 16 0 "[ . 1 . 2 . 3]" 1
104 1 7 LYS QG 1 8 LYS QB . . 5.070 3.632 3.018 5.583 0.513 13 1 "[ . 1 + . 2 . 3]" 1
105 1 7 LYS QG 1 97 TYR QB . . 4.940 4.007 2.749 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 7 LYS QG 1 97 TYR QD . . 5.700 3.941 2.212 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 LYS H 1 8 LYS HA . . 3.030 2.895 2.854 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 LYS H 1 8 LYS HD2 . . 4.640 4.649 3.591 5.589 0.949 10 1 "[ . + . 2 . 3]" 1
109 1 8 LYS H 1 8 LYS QE . . 4.150 4.386 3.036 4.946 0.796 12 8 "[ .* 1 + ** * 2- * . * 3]" 1
110 1 8 LYS H 1 8 LYS QG . . 3.230 2.482 2.079 3.992 0.762 28 2 "[ . - 1 . 2 . + 3]" 1
111 1 8 LYS H 1 9 ILE H . . 4.780 2.765 2.063 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 LYS H 1 9 ILE HA . . 5.400 5.355 4.503 5.460 0.060 24 0 "[ . 1 . 2 . 3]" 1
113 1 8 LYS H 1 10 PHE H . . 4.210 4.017 2.619 4.221 0.011 4 0 "[ . 1 . 2 . 3]" 1
114 1 8 LYS H 1 10 PHE HB2 . . 5.700 5.605 4.309 5.794 0.094 6 0 "[ . 1 . 2 . 3]" 1
115 1 8 LYS H 1 11 VAL H . . 5.570 4.639 3.177 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 8 LYS HA 1 9 ILE H . . 3.690 3.583 3.413 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 8 LYS HA 1 10 PHE H . . 5.070 4.520 4.251 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 8 LYS HA 1 11 VAL H . . 4.280 3.533 2.814 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 8 LYS HA 1 11 VAL HB . . 3.290 2.846 2.239 3.354 0.064 1 0 "[ . 1 . 2 . 3]" 1
120 1 8 LYS HA 1 11 VAL MG1 . . 5.440 4.167 3.783 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 8 LYS HA 1 11 VAL MG2 . . 4.350 3.677 2.503 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 8 LYS QB 1 9 ILE HB . . 6.060 4.879 3.701 5.822 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 8 LYS QE 1 9 ILE QG . . 6.590 4.587 2.258 6.953 0.363 23 0 "[ . 1 . 2 . 3]" 1
124 1 8 LYS QE 1 9 ILE MG . . 6.730 4.567 2.227 6.787 0.057 30 0 "[ . 1 . 2 . 3]" 1
125 1 9 ILE H 1 9 ILE HB . . 4.250 2.555 2.285 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 9 ILE H 1 10 PHE H . . 3.790 2.560 2.008 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 9 ILE H 1 11 VAL H . . 5.340 4.210 3.611 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 9 ILE H 1 12 GLN H . . 5.700 4.940 4.551 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 9 ILE HA 1 13 LYS H . . 5.300 4.056 3.642 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 9 ILE QG 1 10 PHE HA . . 6.590 4.873 3.867 6.142 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 9 ILE QG 1 12 GLN QG . . 6.460 4.853 3.588 6.263 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 9 ILE QG 1 93 ASP QB . . 6.590 5.022 3.440 5.755 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 9 ILE QG 1 94 LEU H . . 6.590 5.869 4.854 6.437 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 9 ILE MG 1 10 PHE HB3 . . 5.940 4.696 4.268 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 9 ILE MG 1 10 PHE QD . . 6.300 4.922 4.498 5.501 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 9 ILE MG 1 93 ASP QB . . 6.030 3.573 2.706 5.517 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 9 ILE MG 1 94 LEU H . . 6.300 4.033 3.130 5.634 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 PHE H 1 10 PHE HB2 . . 3.260 2.466 2.364 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 10 PHE H 1 10 PHE HB3 . . 3.260 2.633 2.503 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 10 PHE H 1 11 VAL HA . . 5.340 5.384 5.276 5.432 0.092 23 0 "[ . 1 . 2 . 3]" 1
141 1 10 PHE H 1 11 VAL MG2 . . 5.280 4.491 3.854 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 10 PHE H 1 12 GLN H . . 4.410 4.004 3.932 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 10 PHE HA 1 11 VAL H . . 3.820 3.605 3.558 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 10 PHE HA 1 13 LYS H . . 4.680 3.691 3.453 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 10 PHE HA 1 13 LYS QB . . 5.900 4.575 3.708 5.779 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 10 PHE HA 1 14 CYS H . . 4.120 3.163 2.944 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 10 PHE HA 1 14 CYS HB3 . . 3.820 3.856 3.752 3.923 0.103 28 0 "[ . 1 . 2 . 3]" 1
148 1 10 PHE HA 1 97 TYR QD . . 8.000 5.294 4.960 5.565 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 10 PHE HB2 1 10 PHE HE1 . . 5.700 5.511 5.481 5.572 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 10 PHE HB2 1 11 VAL H . . 3.950 3.787 3.689 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 10 PHE HB2 1 14 CYS HB2 . . 5.700 4.064 3.862 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 10 PHE HB2 1 21 GLU QB . . 6.590 6.138 4.821 6.478 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 10 PHE HB2 1 94 LEU HA . . 5.700 4.145 3.730 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 10 PHE HB2 1 94 LEU QD . . 5.180 2.488 1.968 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 10 PHE HB2 1 97 TYR QD . . 5.700 3.022 2.602 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 10 PHE HB2 1 97 TYR HE1 . . 6.500 5.908 5.279 6.497 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 10 PHE HB2 1 97 TYR HE2 . . 5.700 2.831 2.297 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 10 PHE HB2 1 98 LEU MD1 . . 6.330 4.562 4.093 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 10 PHE HB3 1 10 PHE HE1 . . 5.700 4.783 4.724 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 10 PHE HB3 1 10 PHE HE2 . . 5.400 5.440 5.410 5.461 0.061 12 0 "[ . 1 . 2 . 3]" 1
161 1 10 PHE HB3 1 11 VAL H . . 3.520 2.459 2.396 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 10 PHE HB3 1 14 CYS HB2 . . 5.010 4.191 4.122 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 10 PHE HB3 1 15 ALA H . . 5.700 5.055 4.844 5.214 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 10 PHE HB3 1 94 LEU HA . . 5.700 5.608 5.176 5.827 0.127 5 0 "[ . 1 . 2 . 3]" 1
165 1 10 PHE HB3 1 94 LEU QD . . 5.140 3.774 3.341 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 10 PHE HB3 1 97 TYR HE1 . . 5.700 5.262 4.705 5.782 0.082 27 0 "[ . 1 . 2 . 3]" 1
167 1 10 PHE HB3 1 98 LEU MD2 . . 6.730 5.230 4.747 6.088 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 10 PHE QD 1 11 VAL H . . 5.700 3.243 3.071 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 10 PHE QD 1 11 VAL HA . . 4.180 2.985 2.692 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 10 PHE QD 1 11 VAL MG1 . . 6.430 4.648 4.050 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 10 PHE QD 1 14 CYS HB2 . . 5.700 3.007 2.953 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 10 PHE QD 1 14 CYS HB3 . . 4.640 3.438 3.232 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 10 PHE QD 1 15 ALA H . . 5.700 3.483 3.277 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 10 PHE QD 1 15 ALA MB . . 6.730 2.722 2.357 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 10 PHE QD 1 20 VAL QG . . 6.730 3.727 3.054 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 10 PHE QD 1 32 LEU MD2 . . 6.730 4.628 3.657 6.318 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 10 PHE QD 1 64 LEU QD . . 6.730 5.678 5.182 6.127 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 10 PHE QD 1 97 TYR HE1 . . 8.000 5.580 4.880 5.913 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 10 PHE QD 1 97 TYR HE2 . . 6.450 2.630 2.250 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 10 PHE QD 1 98 LEU MD1 . . 5.240 2.907 2.346 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 10 PHE QD 1 98 LEU MD2 . . 6.730 3.614 3.121 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 10 PHE QD 1 98 LEU HG . . 5.700 3.975 3.608 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 10 PHE HE1 1 15 ALA MB . . 4.320 2.833 2.400 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 10 PHE HE1 1 18 HIS H . . 5.700 4.970 4.688 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 10 PHE HE1 1 18 HIS HA . . 5.700 5.689 5.422 5.814 0.114 11 0 "[ . 1 . 2 . 3]" 1
186 1 10 PHE HE1 1 18 HIS HB3 . . 5.370 4.203 3.870 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 10 PHE HE1 1 20 VAL HB . . 5.700 4.082 2.370 5.316 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 10 PHE HE1 1 21 GLU HA . . 8.000 6.144 5.223 7.162 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 10 PHE HE1 1 21 GLU QB . . 6.590 4.287 3.306 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 10 PHE HE1 1 97 TYR HE1 . . 7.000 6.940 6.032 7.618 0.618 5 1 "[ + 1 . 2 . 3]" 1
191 1 10 PHE HE1 1 98 LEU HG . . 8.000 7.209 6.819 7.699 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 10 PHE HE2 1 14 CYS HB2 . . 5.700 3.786 3.678 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 10 PHE HE2 1 20 VAL QG . . 5.280 3.763 3.045 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 10 PHE HE2 1 32 LEU MD2 . . 5.340 2.899 2.199 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 10 PHE HE2 1 94 LEU QD . . 6.730 4.099 3.526 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 10 PHE HE2 1 97 TYR HE1 . . 8.000 7.663 6.982 8.055 0.055 20 0 "[ . 1 . 2 . 3]" 1
197 1 10 PHE HZ 1 18 HIS HB3 . . 5.700 2.666 2.281 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 10 PHE HZ 1 18 HIS HD2 . . 4.250 4.302 4.196 4.398 0.148 1 0 "[ . 1 . 2 . 3]" 1
199 1 10 PHE HZ 1 20 VAL HB . . 5.370 3.926 2.880 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 10 PHE HZ 1 32 LEU HB3 . . 5.400 4.974 3.505 5.511 0.111 5 0 "[ . 1 . 2 . 3]" 1
201 1 10 PHE HZ 1 98 LEU MD1 . . 6.730 4.608 4.181 5.223 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 10 PHE HZ 1 98 LEU MD2 . . 4.780 4.037 3.659 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 11 VAL H 1 11 VAL HB . . 2.930 2.411 2.297 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 11 VAL H 1 11 VAL MG2 . . 4.190 2.238 1.906 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 11 VAL H 1 12 GLN H . . 3.190 2.840 2.741 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 11 VAL H 1 12 GLN HB2 . . 5.040 4.854 4.308 5.056 0.016 29 0 "[ . 1 . 2 . 3]" 1
207 1 11 VAL H 1 13 LYS H . . 5.700 4.754 4.551 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 11 VAL H 1 14 CYS H . . 5.700 5.012 4.833 5.574 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 11 VAL H 1 15 ALA H . . 4.970 4.593 4.437 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 11 VAL HA 1 12 GLN H . . 4.710 3.279 3.016 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 11 VAL HA 1 13 LYS H . . 5.700 4.753 4.142 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 11 VAL HA 1 14 CYS H . . 5.540 4.358 4.023 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 11 VAL HA 1 14 CYS HB2 . . 4.250 4.425 4.362 4.498 0.248 26 0 "[ . 1 . 2 . 3]" 1
214 1 11 VAL HA 1 15 ALA H . . 3.950 2.917 2.730 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 11 VAL HA 1 15 ALA MB . . 3.760 1.938 1.864 2.015 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 11 VAL HA 1 16 GLN H . . 5.270 4.889 4.284 5.295 0.025 26 0 "[ . 1 . 2 . 3]" 1
217 1 11 VAL HB 1 12 GLN HA . . 4.910 4.895 4.689 4.989 0.079 2 0 "[ . 1 . 2 . 3]" 1
218 1 11 VAL HB 1 15 ALA MB . . 6.730 4.328 4.104 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 11 VAL MG1 1 12 GLN HB2 . . 6.730 4.697 4.296 5.744 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 11 VAL MG2 1 12 GLN H . . 5.310 4.272 4.079 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 11 VAL MG2 1 15 ALA MB . . 6.570 2.789 2.327 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 11 VAL MG2 1 21 GLU H . . 6.730 4.395 3.509 5.603 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 12 GLN H 1 12 GLN HB2 . . 3.090 2.665 2.343 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 12 GLN H 1 12 GLN HB3 . . 3.190 2.691 2.491 3.348 0.158 2 0 "[ . 1 . 2 . 3]" 1
225 1 12 GLN H 1 12 GLN QG . . 4.450 4.126 4.036 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 12 GLN H 1 13 LYS H . . 3.190 2.320 1.998 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 12 GLN H 1 14 CYS H . . 4.210 3.531 3.316 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 12 GLN H 1 15 ALA H . . 3.880 4.048 3.918 4.104 0.224 26 0 "[ . 1 . 2 . 3]" 1
229 1 12 GLN HA 1 12 GLN HB2 . . 2.730 2.590 2.486 2.891 0.161 2 0 "[ . 1 . 2 . 3]" 1
230 1 12 GLN HA 1 12 GLN HB3 . . 3.130 3.022 2.767 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 12 GLN HA 1 12 GLN QG . . 3.620 2.630 2.239 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 12 GLN HA 1 13 LYS H . . 4.180 3.576 3.466 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 12 GLN HA 1 13 LYS QG . . 5.700 4.853 4.157 6.427 0.727 11 2 "[ . 1+ . 2 . - 3]" 1
234 1 12 GLN HA 1 15 ALA MB . . 5.870 4.742 4.289 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 12 GLN HB3 1 13 LYS HA . . 4.350 4.434 4.333 4.541 0.191 4 0 "[ . 1 . 2 . 3]" 1
236 1 12 GLN QG 1 13 LYS QD . . 4.540 3.885 2.568 5.603 1.063 15 3 "[ .- 1 + 2* . 3]" 1
237 1 12 GLN QG 1 13 LYS QE . . 3.590 3.577 2.038 5.075 1.485 11 9 "[ * .* 1+* * - ** . * 3]" 1
238 1 13 LYS H 1 13 LYS QD . . 4.210 4.010 2.892 4.414 0.204 1 0 "[ . 1 . 2 . 3]" 1
239 1 13 LYS H 1 13 LYS QE . . 5.700 4.951 3.370 5.881 0.181 11 0 "[ . 1 . 2 . 3]" 1
240 1 13 LYS H 1 13 LYS QG . . 3.980 3.016 2.193 4.257 0.277 28 0 "[ . 1 . 2 . 3]" 1
241 1 13 LYS H 1 14 CYS H . . 3.460 2.304 2.070 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 13 LYS H 1 14 CYS HA . . 5.700 4.989 4.795 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 13 LYS H 1 15 ALA H . . 4.540 3.955 3.245 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 13 LYS H 1 15 ALA MB . . 6.430 4.890 4.107 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 13 LYS H 1 82 PHE QE . . 8.000 6.263 5.642 7.384 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 13 LYS HA 1 13 LYS QD . . 4.350 3.223 1.995 4.526 0.176 21 0 "[ . 1 . 2 . 3]" 1
247 1 13 LYS HA 1 13 LYS QE . . 5.700 4.225 3.565 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 13 LYS HA 1 13 LYS QG . . 3.320 2.732 2.082 3.389 0.069 21 0 "[ . 1 . 2 . 3]" 1
249 1 13 LYS HA 1 14 CYS H . . 4.120 3.353 3.128 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 13 LYS HA 1 15 ALA H . . 5.240 4.935 4.566 5.302 0.062 20 0 "[ . 1 . 2 . 3]" 1
251 1 13 LYS HA 1 16 GLN H . . 5.700 4.149 3.617 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 13 LYS HA 1 16 GLN HB2 . . 5.210 3.979 2.927 5.336 0.126 15 0 "[ . 1 . 2 . 3]" 1
253 1 13 LYS HA 1 16 GLN HB3 . . 5.700 3.957 3.136 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 13 LYS HA 1 16 GLN HG2 . . 5.700 4.797 2.549 5.802 0.102 12 0 "[ . 1 . 2 . 3]" 1
255 1 13 LYS QB 1 14 CYS H . . 5.730 3.285 2.247 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 13 LYS QB 1 15 ALA H . . 6.590 5.257 4.607 5.896 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 13 LYS QB 1 82 PHE QE . . 6.590 3.397 2.808 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 13 LYS QB 1 82 PHE HZ . . 6.590 3.179 2.205 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 13 LYS QD 1 14 CYS H . . 5.300 5.058 4.218 5.768 0.468 1 0 "[ . 1 . 2 . 3]" 1
260 1 13 LYS QD 1 82 PHE QE . . 5.240 3.142 2.424 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 13 LYS QD 1 82 PHE HZ . . 5.210 3.022 2.108 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 13 LYS QE 1 13 LYS QG . . 2.960 2.236 2.039 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 13 LYS QG 1 82 PHE QE . . 4.640 3.590 2.634 4.678 0.038 8 0 "[ . 1 . 2 . 3]" 1
264 1 13 LYS QG 1 82 PHE HZ . . 4.180 3.401 2.471 4.974 0.794 22 2 "[ .- 1 . 2 + . 3]" 1
265 1 14 CYS H 1 14 CYS HB2 . . 2.960 2.568 2.502 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 14 CYS H 1 14 CYS HB3 . . 3.950 3.648 3.457 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 14 CYS H 1 15 ALA H . . 2.960 2.297 2.028 2.994 0.034 2 0 "[ . 1 . 2 . 3]" 1
268 1 14 CYS H 1 16 GLN H . . 4.740 3.575 3.139 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 14 CYS H 1 17 CYS H . . 5.700 5.311 5.061 5.734 0.034 24 0 "[ . 1 . 2 . 3]" 1
270 1 14 CYS H 1 18 HIS HD2 . . 5.700 5.634 5.305 5.828 0.128 5 0 "[ . 1 . 2 . 3]" 1
271 1 14 CYS HA 1 15 ALA H . . 4.310 3.605 3.571 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 14 CYS HA 1 16 GLN H . . 5.700 3.886 3.569 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 14 CYS HA 1 17 CYS H . . 5.700 3.888 3.542 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 14 CYS HA 1 18 HIS HD2 . . 4.310 2.925 2.621 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 14 CYS HB2 1 18 HIS H . . 5.700 5.229 5.073 5.720 0.020 19 0 "[ . 1 . 2 . 3]" 1
276 1 14 CYS HB2 1 18 HIS HD2 . . 5.700 4.566 4.313 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 14 CYS HB3 1 15 ALA H . . 3.550 3.618 3.562 3.671 0.121 8 0 "[ . 1 . 2 . 3]" 1
278 1 14 CYS HB3 1 18 HIS HD2 . . 4.120 3.062 2.725 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 14 CYS HB3 1 32 LEU MD1 . . 6.730 4.703 3.566 6.268 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 14 CYS HB3 1 32 LEU MD2 . . 6.730 4.626 3.646 6.269 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 15 ALA H 1 16 GLN H . . 3.690 2.824 2.641 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 15 ALA H 1 17 CYS H . . 4.810 4.464 4.287 4.817 0.007 20 0 "[ . 1 . 2 . 3]" 1
283 1 15 ALA H 1 18 HIS HD2 . . 5.700 5.423 5.087 5.561 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 15 ALA HA 1 18 HIS H . . 4.540 2.927 2.543 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 15 ALA HA 1 18 HIS HB2 . . 4.310 3.334 2.657 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 15 ALA MB 1 16 GLN H . . 5.040 3.113 2.837 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 15 ALA MB 1 18 HIS H . . 6.730 4.431 4.156 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 16 GLN H 1 16 GLN HA . . 3.060 2.847 2.750 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 16 GLN H 1 16 GLN HB2 . . 3.390 2.686 2.134 3.526 0.136 28 0 "[ . 1 . 2 . 3]" 1
290 1 16 GLN H 1 16 GLN HB3 . . 3.230 2.572 2.061 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 16 GLN H 1 16 GLN HE21 . . 5.700 5.071 3.820 5.551 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 16 GLN H 1 16 GLN HG2 . . 4.410 3.758 2.050 4.441 0.031 24 0 "[ . 1 . 2 . 3]" 1
293 1 16 GLN H 1 17 CYS H . . 3.160 2.727 2.211 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 16 GLN H 1 18 HIS H . . 4.880 3.999 3.305 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 16 GLN HA 1 16 GLN HB2 . . 2.730 2.518 2.319 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 16 GLN HA 1 16 GLN HB3 . . 2.990 2.826 2.221 3.052 0.062 20 0 "[ . 1 . 2 . 3]" 1
297 1 16 GLN HA 1 16 GLN HG3 . . 3.720 3.577 3.315 3.781 0.061 4 0 "[ . 1 . 2 . 3]" 1
298 1 16 GLN HB3 1 17 CYS HB2 . . 5.700 4.711 3.919 5.964 0.264 17 0 "[ . 1 . 2 . 3]" 1
299 1 16 GLN HG2 1 17 CYS H . . 5.240 4.495 2.370 5.256 0.016 2 0 "[ . 1 . 2 . 3]" 1
300 1 17 CYS H 1 17 CYS HB2 . . 3.290 2.477 2.044 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 17 CYS H 1 17 CYS HB3 . . 3.620 3.662 3.423 3.736 0.116 25 0 "[ . 1 . 2 . 3]" 1
302 1 17 CYS H 1 18 HIS H . . 3.550 1.999 1.797 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 17 CYS H 1 18 HIS HD2 . . 5.700 4.124 3.676 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 17 CYS HA 1 17 CYS HB2 . . 2.960 3.015 2.974 3.030 0.070 1 0 "[ . 1 . 2 . 3]" 1
305 1 17 CYS HA 1 17 CYS HB3 . . 2.830 2.548 2.486 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 17 CYS HA 1 18 HIS H . . 4.580 3.527 3.284 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 17 CYS HA 1 28 THR MG . . 6.730 4.318 3.464 5.568 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 17 CYS HB2 1 18 HIS H . . 3.880 2.942 2.514 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 17 CYS HB2 1 18 HIS HD2 . . 4.740 3.148 2.835 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 17 CYS HB2 1 28 THR HB . . 5.700 4.142 3.669 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 17 CYS HB2 1 29 GLY H . . 5.700 4.526 3.934 5.723 0.023 19 0 "[ . 1 . 2 . 3]" 1
312 1 17 CYS HB2 1 29 GLY HA3 . . 5.700 4.454 3.414 5.552 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 17 CYS HB3 1 18 HIS H . . 5.400 3.712 3.369 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 17 CYS HB3 1 18 HIS HA . . 5.010 4.603 4.328 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 17 CYS HB3 1 18 HIS HD2 . . 5.210 4.108 3.247 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 17 CYS HB3 1 29 GLY HA2 . . 4.910 4.436 3.465 5.289 0.379 19 0 "[ . 1 . 2 . 3]" 1
317 1 17 CYS HB3 1 29 GLY HA3 . . 5.700 3.300 2.231 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 18 HIS H 1 18 HIS HB2 . . 3.420 2.457 2.261 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 18 HIS H 1 18 HIS HB3 . . 4.180 3.637 3.520 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 18 HIS H 1 18 HIS HD1 . . 5.700 4.861 4.317 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 18 HIS H 1 18 HIS HD2 . . 4.780 3.272 2.682 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 18 HIS H 1 19 THR H . . 5.110 3.604 2.141 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 18 HIS HA 1 18 HIS HB3 . . 2.860 2.483 2.420 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 18 HIS HA 1 19 THR H . . 3.690 2.855 2.217 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 18 HIS HA 1 31 ASN QB . . 4.710 4.538 3.125 5.468 0.758 17 5 "[ * * 1 . + 2 * . -]" 1
326 1 18 HIS HB2 1 19 THR H . . 4.810 3.587 2.401 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 18 HIS HB2 1 32 LEU MD1 . . 6.730 4.115 2.891 6.249 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 18 HIS HB2 1 32 LEU MD2 . . 6.730 4.172 2.882 5.693 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 18 HIS HB3 1 18 HIS HD1 . . 3.950 2.653 2.521 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 18 HIS HB3 1 20 VAL H . . 5.700 4.514 3.175 5.644 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 18 HIS HB3 1 20 VAL QG . . 6.730 3.637 2.125 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 18 HIS HB3 1 31 ASN H . . 5.700 4.982 3.602 5.809 0.109 16 0 "[ . 1 . 2 . 3]" 1
333 1 18 HIS HB3 1 31 ASN HA . . 3.850 3.223 2.319 3.910 0.060 7 0 "[ . 1 . 2 . 3]" 1
334 1 18 HIS HB3 1 32 LEU H . . 4.740 3.805 2.564 4.774 0.034 18 0 "[ . 1 . 2 . 3]" 1
335 1 18 HIS HB3 1 32 LEU HG . . 4.880 4.408 2.179 5.016 0.136 28 0 "[ . 1 . 2 . 3]" 1
336 1 18 HIS HD1 1 26 HIS HA . . 5.700 5.176 4.264 5.767 0.067 5 0 "[ . 1 . 2 . 3]" 1
337 1 18 HIS HD1 1 29 GLY H . . 5.700 4.696 4.031 5.711 0.011 4 0 "[ . 1 . 2 . 3]" 1
338 1 18 HIS HD1 1 31 ASN HA . . 4.250 3.489 2.213 4.282 0.032 23 0 "[ . 1 . 2 . 3]" 1
339 1 18 HIS HD1 1 32 LEU H . . 5.700 3.970 2.336 5.751 0.051 18 0 "[ . 1 . 2 . 3]" 1
340 1 18 HIS HD1 1 32 LEU MD1 . . 5.440 3.517 2.289 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 18 HIS HD2 1 32 LEU MD2 . . 6.030 4.564 3.378 6.174 0.144 16 0 "[ . 1 . 2 . 3]" 1
342 1 18 HIS HD2 1 80 MET ME . . 6.730 4.901 4.629 6.316 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 18 HIS HE1 1 29 GLY HA2 . . 5.700 3.826 3.298 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 18 HIS HE1 1 29 GLY HA3 . . 4.150 2.923 2.422 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 18 HIS HE1 1 30 PRO QG . . 4.910 3.085 2.312 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 18 HIS HE1 1 32 LEU MD1 . . 4.810 3.984 2.918 5.388 0.578 29 2 "[ . 1 . 2 - +3]" 1
347 1 18 HIS HE1 1 32 LEU MD2 . . 5.740 4.151 2.816 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 18 HIS HE1 1 80 MET ME . . 6.730 5.522 5.231 5.864 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 19 THR H 1 19 THR MG . . 4.710 3.170 2.057 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 19 THR H 1 20 VAL H . . 4.380 3.590 2.368 4.497 0.117 12 0 "[ . 1 . 2 . 3]" 1
351 1 19 THR H 1 31 ASN HA . . 5.700 3.786 2.217 5.726 0.026 13 0 "[ . 1 . 2 . 3]" 1
352 1 19 THR H 1 31 ASN QB . . 6.000 4.486 2.314 6.454 0.454 3 0 "[ . 1 . 2 . 3]" 1
353 1 19 THR HA 1 20 VAL HA . . 5.700 4.890 4.432 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 19 THR HA 1 20 VAL QG . . 6.730 4.070 3.474 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 19 THR HA 1 21 GLU QB . . 6.590 5.131 4.204 6.233 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 19 THR MG 1 25 LYS H . . 5.340 3.060 1.777 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 20 VAL H 1 20 VAL HB . . 4.120 3.050 2.127 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 20 VAL H 1 21 GLU H . . 4.610 3.034 1.809 4.611 0.001 10 0 "[ . 1 . 2 . 3]" 1
359 1 20 VAL HB 1 31 ASN QB . . 5.700 4.411 2.633 6.364 0.664 13 3 "[ . 1 + . *2 -. 3]" 1
360 1 20 VAL QG 1 22 LYS HG2 . . 6.730 6.178 4.971 7.464 0.734 3 3 "[ + . 1 . - 2 * 3]" 1
361 1 20 VAL QG 1 32 LEU H . . 6.730 3.361 1.718 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 20 VAL QG 1 32 LEU HB2 . . 4.810 2.338 1.924 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 20 VAL QG 1 32 LEU HB3 . . 6.730 3.064 2.110 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 20 VAL QG 1 32 LEU MD2 . . 7.260 3.208 2.151 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 20 VAL QG 1 32 LEU HG . . 6.730 3.837 2.386 5.241 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 20 VAL QG 1 34 GLY H . . 6.730 4.217 2.235 6.721 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 20 VAL QG 1 34 GLY HA2 . . 6.730 5.132 3.501 7.091 0.361 19 0 "[ . 1 . 2 . 3]" 1
368 1 20 VAL QG 1 35 LEU H . . 6.730 5.500 4.139 6.972 0.242 29 0 "[ . 1 . 2 . 3]" 1
369 1 20 VAL QG 1 97 TYR HE1 . . 6.530 4.039 3.604 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 20 VAL QG 1 98 LEU HA . . 6.730 4.600 3.833 5.409 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 20 VAL QG 1 98 LEU MD2 . . 7.330 2.516 1.954 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 20 VAL QG 1 101 ALA H . . 6.730 5.691 4.887 6.587 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 20 VAL QG 1 101 ALA MB . . 7.100 3.038 2.210 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 20 VAL QG 1 102 THR H . . 6.730 5.637 4.379 7.008 0.278 1 0 "[ . 1 . 2 . 3]" 1
375 1 20 VAL QG 1 102 THR MG . . 7.190 5.529 4.188 6.634 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 21 GLU H 1 22 LYS H . . 5.300 2.934 1.845 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 21 GLU HA 1 23 GLY H . . 7.000 5.279 3.482 7.024 0.024 6 0 "[ . 1 . 2 . 3]" 1
378 1 21 GLU QB 1 22 LYS HA . . 6.590 4.806 3.974 5.655 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 21 GLU QB 1 97 TYR HE2 . . 6.590 5.179 4.316 6.136 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 22 LYS H 1 22 LYS HG2 . . 3.720 3.425 2.300 4.705 0.985 18 3 "[ - . 1 . + 2 * 3]" 1
381 1 22 LYS H 1 23 GLY H . . 4.740 3.397 1.750 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 22 LYS H 1 24 GLY H . . 5.700 4.853 3.182 5.790 0.090 4 0 "[ . 1 . 2 . 3]" 1
383 1 22 LYS HA 1 22 LYS HG2 . . 3.620 3.052 2.303 3.872 0.252 20 0 "[ . 1 . 2 . 3]" 1
384 1 22 LYS HA 1 23 GLY H . . 3.160 2.743 2.179 3.450 0.290 3 0 "[ . 1 . 2 . 3]" 1
385 1 22 LYS HA 1 23 GLY HA2 . . 4.840 4.627 4.078 5.149 0.309 17 0 "[ . 1 . 2 . 3]" 1
386 1 22 LYS QB 1 23 GLY H . . 6.100 3.150 1.906 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 22 LYS HG2 1 23 GLY H . . 5.630 4.776 3.568 5.561 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 23 GLY H 1 24 GLY H . . 4.450 3.822 2.512 4.555 0.105 26 0 "[ . 1 . 2 . 3]" 1
389 1 23 GLY HA2 1 24 GLY H . . 4.280 2.835 2.123 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 23 GLY HA3 1 24 GLY QA . . 5.700 4.278 3.938 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 24 GLY H 1 25 LYS H . . 4.450 3.982 2.820 4.567 0.117 11 0 "[ . 1 . 2 . 3]" 1
392 1 24 GLY QA 1 25 LYS H . . 3.130 2.261 2.055 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 24 GLY QA 1 25 LYS QB . . 4.450 4.088 3.431 4.898 0.448 9 0 "[ . 1 . 2 . 3]" 1
394 1 24 GLY QA 1 31 ASN QB . . 5.400 4.055 2.656 5.690 0.290 23 0 "[ . 1 . 2 . 3]" 1
395 1 25 LYS H 1 25 LYS QB . . 3.750 2.810 2.133 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 25 LYS H 1 25 LYS QD . . 4.640 4.086 1.949 5.336 0.696 13 3 "[ - 1 + . 2* . 3]" 1
397 1 25 LYS H 1 25 LYS QE . . 5.470 4.750 2.721 6.199 0.729 3 3 "[ +*. 1 . 2 .- 3]" 1
398 1 25 LYS H 1 25 LYS HG2 . . 4.510 3.859 1.920 5.309 0.799 1 3 "[+ - 1 . 2* . 3]" 1
399 1 25 LYS HA 1 25 LYS QB . . 2.630 2.336 2.123 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 25 LYS HA 1 25 LYS QE . . 5.700 4.478 1.968 5.672 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 25 LYS HA 1 26 HIS H . . 2.930 2.418 2.092 3.044 0.114 25 0 "[ . 1 . 2 . 3]" 1
402 1 25 LYS QB 1 31 ASN QB . . 5.700 5.378 4.310 6.956 1.256 28 4 "[ * 1 . 2 * . +-3]" 1
403 1 26 HIS H 1 26 HIS HB2 . . 4.050 3.635 2.574 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 26 HIS H 1 26 HIS HB3 . . 3.980 3.331 2.606 4.029 0.049 19 0 "[ . 1 . 2 . 3]" 1
405 1 26 HIS H 1 26 HIS HD1 . . 5.700 3.541 2.580 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 26 HIS H 1 27 LYS HA . . 5.700 5.146 4.204 5.885 0.185 25 0 "[ . 1 . 2 . 3]" 1
407 1 26 HIS H 1 27 LYS QB . . 7.390 4.954 4.080 5.920 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 26 HIS HA 1 26 HIS HB3 . . 2.400 2.325 2.189 2.415 0.015 29 0 "[ . 1 . 2 . 3]" 1
409 1 26 HIS HA 1 30 PRO HA . . 5.240 3.902 3.018 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 26 HIS HA 1 31 ASN H . . 5.630 3.821 2.646 5.678 0.048 24 0 "[ . 1 . 2 . 3]" 1
411 1 26 HIS HA 1 31 ASN QB . . 5.700 3.736 2.070 5.510 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 26 HIS HB2 1 27 LYS QB . . 6.590 5.487 4.598 6.104 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 26 HIS HB2 1 31 ASN H . . 5.700 4.087 2.892 5.719 0.019 2 0 "[ . 1 . 2 . 3]" 1
414 1 26 HIS HB2 1 31 ASN QB . . 5.700 4.677 3.716 5.971 0.271 18 0 "[ . 1 . 2 . 3]" 1
415 1 26 HIS HB2 1 43 ALA MB . . 6.000 4.500 3.494 5.691 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 26 HIS HB2 1 46 PHE HB2 . . 5.700 3.184 2.300 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 26 HIS HB2 1 46 PHE QD . . 5.700 3.596 2.675 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 26 HIS HB3 1 27 LYS H . . 5.300 4.026 2.616 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 26 HIS HB3 1 31 ASN QB . . 5.700 3.286 2.121 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 26 HIS HB3 1 46 PHE QD . . 5.700 4.462 2.905 5.413 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 26 HIS HD1 1 44 PRO QD . . 4.970 5.337 4.590 5.765 0.795 12 14 "[* **.* 1 + -* * ** * .** *]" 1
422 1 26 HIS HD1 1 46 PHE HA . . 5.140 4.200 2.531 5.217 0.077 20 0 "[ . 1 . 2 . 3]" 1
423 1 26 HIS HD1 1 46 PHE HB2 . . 4.640 3.120 2.267 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 26 HIS HD1 1 46 PHE HB3 . . 5.700 4.543 3.453 5.707 0.007 9 0 "[ . 1 . 2 . 3]" 1
425 1 26 HIS HD2 1 31 ASN HA . . 5.700 5.080 3.540 5.842 0.142 1 0 "[ . 1 . 2 . 3]" 1
426 1 26 HIS HD2 1 33 HIS HD2 . . 5.700 5.636 4.423 5.914 0.214 28 0 "[ . 1 . 2 . 3]" 1
427 1 26 HIS HD2 1 43 ALA HA . . 5.700 4.901 3.193 5.796 0.096 9 0 "[ . 1 . 2 . 3]" 1
428 1 27 LYS H 1 27 LYS QG . . 3.320 3.350 1.911 4.241 0.921 17 12 "[ ** * 1* *.*+* 2- ** * 3]" 1
429 1 27 LYS H 1 29 GLY H . . 4.640 3.465 2.374 4.670 0.030 19 0 "[ . 1 . 2 . 3]" 1
430 1 27 LYS HA 1 28 THR H . . 4.510 3.092 2.083 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 27 LYS QG 1 28 THR H . . 5.700 4.032 2.440 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 27 LYS QG 1 28 THR HA . . 5.700 5.581 4.220 6.309 0.609 12 1 "[ . 1 + . 2 . 3]" 1
433 1 28 THR H 1 29 GLY H . . 4.150 2.470 1.752 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 28 THR HB 1 29 GLY H . . 4.350 3.127 2.324 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 28 THR MG 1 80 MET HA . . 5.370 4.841 3.820 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 29 GLY H 1 30 PRO HA . . 5.700 5.085 4.813 5.438 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 29 GLY HA2 1 46 PHE HZ . . 4.710 2.900 2.329 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 29 GLY HA3 1 30 PRO HA . . 5.210 4.787 4.691 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 29 GLY HA3 1 46 PHE HZ . . 5.140 4.554 4.034 5.265 0.125 5 0 "[ . 1 . 2 . 3]" 1
440 1 30 PRO HA 1 30 PRO HD3 . . 4.050 3.520 3.262 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 30 PRO HA 1 31 ASN H . . 3.320 2.735 2.249 3.321 0.001 2 0 "[ . 1 . 2 . 3]" 1
442 1 30 PRO HA 1 31 ASN QD . . 5.700 4.350 2.727 5.838 0.138 23 0 "[ . 1 . 2 . 3]" 1
443 1 30 PRO HA 1 43 ALA HA . . 5.240 4.976 3.799 5.345 0.105 14 0 "[ . 1 . 2 . 3]" 1
444 1 30 PRO HA 1 46 PHE HB2 . . 4.940 3.975 2.949 4.986 0.046 20 0 "[ . 1 . 2 . 3]" 1
445 1 30 PRO HA 1 46 PHE QD . . 4.940 3.003 2.140 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 30 PRO HA 1 46 PHE QE . . 5.700 3.865 2.974 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 30 PRO HA 1 46 PHE HZ . . 5.700 5.318 4.417 5.802 0.102 23 0 "[ . 1 . 2 . 3]" 1
448 1 30 PRO HA 1 48 TYR QD . . 5.700 4.958 3.899 5.721 0.021 15 0 "[ . 1 . 2 . 3]" 1
449 1 30 PRO QB 1 31 ASN H . . 4.740 3.046 1.743 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 30 PRO QB 1 31 ASN QD . . 5.700 3.888 2.758 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 30 PRO QB 1 43 ALA MB . . 5.540 2.128 1.957 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 30 PRO QB 1 48 TYR QD . . 5.700 3.399 2.547 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 30 PRO QG 1 31 ASN HA . . 5.700 4.985 4.007 5.831 0.131 14 0 "[ . 1 . 2 . 3]" 1
454 1 30 PRO QG 1 32 LEU H . . 5.700 4.510 2.688 6.010 0.310 4 0 "[ . 1 . 2 . 3]" 1
455 1 30 PRO QG 1 48 TYR QB . . 5.370 4.667 4.066 5.209 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 30 PRO QG 1 53 LYS QG . . 5.110 5.331 3.727 6.451 1.341 22 14 "[ * ** ** ** * ** * + * -]" 1
457 1 31 ASN H 1 31 ASN QB . . 3.620 2.846 2.451 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 31 ASN H 1 31 ASN QD . . 5.700 3.232 2.180 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 31 ASN H 1 32 LEU H . . 4.970 3.863 2.589 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 31 ASN H 1 33 HIS H . . 5.700 5.012 4.022 5.804 0.104 5 0 "[ . 1 . 2 . 3]" 1
461 1 31 ASN H 1 43 ALA MB . . 6.730 4.348 2.646 5.674 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 31 ASN HA 1 33 HIS H . . 5.010 4.712 4.172 5.160 0.150 11 0 "[ . 1 . 2 . 3]" 1
463 1 31 ASN QB 1 33 HIS H . . 4.150 3.994 2.360 4.882 0.732 27 2 "[ . 1 . -2 . + 3]" 1
464 1 31 ASN QB 1 33 HIS QB . . 6.590 4.419 2.827 5.701 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 31 ASN QB 1 44 PRO QD . . 5.700 4.658 3.714 5.475 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 31 ASN QD 1 43 ALA H . . 5.700 5.802 4.466 6.515 0.815 28 14 "[* * . ** * **** - *+**]" 1
467 1 31 ASN QD 1 44 PRO HA . . 5.700 6.190 5.483 6.495 0.795 2 19 "[*+ *. **** *. -**2***** ***3]" 1
468 1 31 ASN QD 1 44 PRO QG . . 5.700 3.445 2.625 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 32 LEU H 1 32 LEU HB2 . . 3.420 2.835 2.099 3.646 0.226 23 0 "[ . 1 . 2 . 3]" 1
470 1 32 LEU H 1 32 LEU HB3 . . 4.080 3.786 3.283 4.136 0.056 23 0 "[ . 1 . 2 . 3]" 1
471 1 32 LEU H 1 32 LEU MD2 . . 5.700 3.496 1.955 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 32 LEU H 1 32 LEU HG . . 5.170 3.748 2.371 5.198 0.028 8 0 "[ . 1 . 2 . 3]" 1
473 1 32 LEU H 1 33 HIS H . . 3.950 3.329 2.164 4.007 0.057 12 0 "[ . 1 . 2 . 3]" 1
474 1 32 LEU HA 1 32 LEU HB3 . . 3.130 2.575 2.378 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 32 LEU HA 1 32 LEU MD1 . . 4.650 2.891 2.129 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 32 LEU HA 1 33 HIS H . . 4.350 2.592 2.095 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 32 LEU HA 1 98 LEU MD1 . . 6.730 5.676 5.000 6.272 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 32 LEU HA 1 98 LEU MD2 . . 6.730 4.961 4.441 5.825 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 32 LEU HB3 1 64 LEU QD . . 6.030 5.044 4.217 6.150 0.120 8 0 "[ . 1 . 2 . 3]" 1
480 1 32 LEU HB3 1 101 ALA MB . . 6.730 5.427 4.081 6.304 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 32 LEU MD1 1 33 HIS H . . 6.730 4.631 4.008 5.685 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 32 LEU MD1 1 64 LEU QD . . 6.830 3.742 2.438 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 32 LEU MD1 1 98 LEU MD1 . . 7.760 3.160 2.134 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 32 LEU MD1 1 98 LEU MD2 . . 6.700 3.203 2.217 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 32 LEU MD1 1 101 ALA MB . . 7.760 5.915 4.112 6.957 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 32 LEU MD2 1 64 LEU QD . . 6.530 3.658 2.358 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 32 LEU MD2 1 98 LEU MD2 . . 6.960 3.086 2.037 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 33 HIS H 1 33 HIS HD1 . . 3.190 2.667 1.775 3.414 0.224 20 0 "[ . 1 . 2 . 3]" 1
489 1 33 HIS H 1 33 HIS HD2 . . 4.910 4.036 3.269 4.995 0.085 8 0 "[ . 1 . 2 . 3]" 1
490 1 33 HIS H 1 34 GLY H . . 5.700 4.172 3.460 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 33 HIS H 1 34 GLY HA2 . . 5.670 6.050 5.602 6.479 0.809 16 7 "[ * 1 *.+ * 2 -* * 3]" 1
492 1 33 HIS H 1 38 ARG HE . . 6.000 5.963 5.120 6.335 0.335 25 0 "[ . 1 . 2 . 3]" 1
493 1 33 HIS HA 1 34 GLY H . . 3.190 2.367 2.104 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 33 HIS HA 1 34 GLY HA2 . . 5.700 4.438 4.208 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 33 HIS QB 1 43 ALA HA . . 6.590 5.170 4.121 6.345 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 33 HIS HD1 1 35 LEU HB2 . . 4.740 4.582 3.646 5.085 0.345 22 0 "[ . 1 . 2 . 3]" 1
497 1 33 HIS HD1 1 35 LEU HG . . 5.700 4.773 3.902 6.076 0.376 16 0 "[ . 1 . 2 . 3]" 1
498 1 33 HIS HD1 1 42 GLN QG . . 5.440 5.172 2.716 6.205 0.765 8 10 "[ **.* + * .* -2 * *. *3]" 1
499 1 33 HIS HD2 1 38 ARG HE . . 5.700 5.611 4.222 5.993 0.293 28 0 "[ . 1 . 2 . 3]" 1
500 1 33 HIS HD2 1 43 ALA HA . . 5.700 3.306 2.093 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 33 HIS HD2 1 43 ALA MB . . 6.730 4.515 2.816 6.072 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 33 HIS HE1 1 38 ARG HE . . 5.700 4.699 2.872 5.782 0.082 12 0 "[ . 1 . 2 . 3]" 1
503 1 34 GLY H 1 35 LEU H . . 4.480 3.514 2.758 4.501 0.021 6 0 "[ . 1 . 2 . 3]" 1
504 1 34 GLY H 1 102 THR HA . . 5.700 4.628 2.976 5.756 0.056 27 0 "[ . 1 . 2 . 3]" 1
505 1 34 GLY H 1 102 THR MG . . 7.000 5.385 2.780 6.545 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 34 GLY HA2 1 35 LEU HA . . 4.510 4.904 4.458 5.379 0.869 27 10 "[* * . *1 - * ***. + *]" 1
507 1 34 GLY HA3 1 102 THR MG . . 5.540 4.539 2.501 5.733 0.193 16 0 "[ . 1 . 2 . 3]" 1
508 1 35 LEU H 1 35 LEU HB2 . . 3.260 2.545 2.006 3.380 0.120 23 0 "[ . 1 . 2 . 3]" 1
509 1 35 LEU H 1 35 LEU HB3 . . 4.020 3.564 2.957 4.109 0.089 22 0 "[ . 1 . 2 . 3]" 1
510 1 35 LEU H 1 35 LEU HG . . 5.300 4.281 3.595 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 35 LEU H 1 36 PHE H . . 4.640 4.205 2.020 4.700 0.060 18 0 "[ . 1 . 2 . 3]" 1
512 1 35 LEU H 1 36 PHE QD . . 7.550 4.663 3.121 6.311 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 35 LEU H 1 98 LEU MD2 . . 7.000 5.512 4.363 6.484 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 35 LEU HA 1 36 PHE H . . 4.840 2.929 2.187 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 35 LEU HA 1 36 PHE QD . . 7.220 4.644 4.230 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 35 LEU HA 1 38 ARG QD . . 4.640 3.478 2.075 5.388 0.748 27 1 "[ . 1 . 2 . + 3]" 1
517 1 35 LEU HA 1 38 ARG HE . . 5.700 4.504 2.958 5.819 0.119 16 0 "[ . 1 . 2 . 3]" 1
518 1 35 LEU HA 1 38 ARG QG . . 4.580 3.426 2.078 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 35 LEU HB2 1 36 PHE H . . 4.410 3.588 2.866 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 35 LEU HB2 1 36 PHE QD . . 7.550 3.621 2.705 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 35 LEU HB2 1 36 PHE QE . . 7.850 4.434 3.421 5.911 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 35 LEU HB2 1 59 TRP HB2 . . 5.670 4.801 3.864 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 35 LEU HB3 1 36 PHE H . . 3.420 2.319 1.781 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 35 LEU HB3 1 36 PHE HA . . 4.510 4.091 3.640 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 35 LEU HB3 1 36 PHE HB3 . . 5.700 5.452 5.004 5.753 0.053 5 0 "[ . 1 . 2 . 3]" 1
526 1 35 LEU HB3 1 36 PHE QD . . 6.430 2.869 2.069 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 35 LEU HB3 1 60 LYS H . . 5.700 5.688 5.050 5.939 0.239 30 0 "[ . 1 . 2 . 3]" 1
528 1 35 LEU QD 1 40 THR H . . 6.730 5.410 2.672 6.740 0.010 2 0 "[ . 1 . 2 . 3]" 1
529 1 35 LEU QD 1 40 THR HA . . 6.730 3.944 2.340 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 35 LEU QD 1 40 THR MG . . 7.760 4.863 2.623 6.772 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 35 LEU QD 1 42 GLN QB . . 6.230 4.529 3.386 5.600 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 35 LEU QD 1 58 THR MG . . 7.760 5.326 2.607 6.127 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 35 LEU QD 1 95 ILE MD . . 7.760 5.678 4.339 7.179 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 35 LEU HG 1 36 PHE H . . 5.700 3.618 1.888 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 35 LEU HG 1 36 PHE HA . . 5.700 5.241 3.706 5.925 0.225 25 0 "[ . 1 . 2 . 3]" 1
536 1 35 LEU HG 1 36 PHE QD . . 7.150 4.914 2.887 6.135 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 35 LEU HG 1 37 GLY H . . 5.700 5.351 4.178 5.844 0.144 22 0 "[ . 1 . 2 . 3]" 1
538 1 35 LEU HG 1 59 TRP HA . . 5.700 4.912 4.535 5.493 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 35 LEU HG 1 59 TRP HB2 . . 3.620 2.350 2.066 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 35 LEU HG 1 59 TRP HB3 . . 5.700 2.736 2.154 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 35 LEU HG 1 59 TRP HD1 . . 5.700 2.603 2.064 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 35 LEU HG 1 59 TRP HE3 . . 5.700 5.598 4.905 5.860 0.160 24 0 "[ . 1 . 2 . 3]" 1
543 1 36 PHE H 1 36 PHE HB2 . . 3.750 3.259 2.256 3.778 0.028 5 0 "[ . 1 . 2 . 3]" 1
544 1 36 PHE H 1 36 PHE HB3 . . 4.020 3.914 3.536 4.107 0.087 25 0 "[ . 1 . 2 . 3]" 1
545 1 36 PHE H 1 37 GLY H . . 4.840 3.223 2.416 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 36 PHE H 1 64 LEU QD . . 6.730 4.189 3.274 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 36 PHE HA 1 37 GLY H . . 3.030 2.365 2.061 3.220 0.190 29 0 "[ . 1 . 2 . 3]" 1
548 1 36 PHE HA 1 37 GLY HA2 . . 4.540 4.323 4.073 4.549 0.009 7 0 "[ . 1 . 2 . 3]" 1
549 1 36 PHE HA 1 38 ARG H . . 4.610 4.233 3.510 4.753 0.143 26 0 "[ . 1 . 2 . 3]" 1
550 1 36 PHE HA 1 59 TRP HB3 . . 4.880 4.388 3.249 5.030 0.150 4 0 "[ . 1 . 2 . 3]" 1
551 1 36 PHE HA 1 60 LYS HA . . 5.600 2.409 1.997 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 36 PHE HB2 1 37 GLY H . . 4.410 4.378 3.350 4.525 0.115 30 0 "[ . 1 . 2 . 3]" 1
553 1 36 PHE HB2 1 102 THR MG . . 6.630 2.433 2.008 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 36 PHE HB3 1 37 GLY H . . 4.880 4.084 3.173 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 36 PHE QD 1 37 GLY H . . 7.850 4.674 3.970 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 36 PHE QD 1 59 TRP HB2 . . 7.850 5.314 2.740 6.219 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 36 PHE QD 1 60 LYS HA . . 7.550 2.888 2.221 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 36 PHE QD 1 60 LYS HB2 . . 7.220 4.031 2.576 5.743 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 36 PHE QD 1 60 LYS QE . . 7.550 6.307 5.029 7.673 0.123 20 0 "[ . 1 . 2 . 3]" 1
560 1 36 PHE QD 1 60 LYS HG2 . . 7.650 5.621 3.393 7.645 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 36 PHE QD 1 61 GLU H . . 7.850 3.296 2.370 5.586 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 36 PHE QD 1 61 GLU HA . . 7.520 4.261 2.993 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 36 PHE QD 1 61 GLU QB . . 8.440 3.710 2.382 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 36 PHE QD 1 64 LEU QD . . 8.250 3.677 2.982 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 36 PHE QD 1 98 LEU HA . . 7.580 5.128 4.520 5.813 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 36 PHE QD 1 99 LYS HA . . 7.850 3.176 2.277 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 36 PHE QD 1 99 LYS QG . . 7.850 3.685 2.260 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 36 PHE QD 1 101 ALA H . . 7.850 6.350 5.132 7.284 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 36 PHE QD 1 102 THR MG . . 8.710 2.919 2.173 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 36 PHE QD 1 103 ASN H . . 7.850 7.055 6.170 7.571 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 36 PHE QD 1 103 ASN QB . . 7.810 7.143 5.995 8.068 0.258 5 0 "[ . 1 . 2 . 3]" 1
572 1 36 PHE QE 1 59 TRP HD1 . . 8.650 7.476 6.100 8.310 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 36 PHE QE 1 59 TRP HE3 . . 7.850 6.245 4.244 7.357 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 36 PHE QE 1 60 LYS HA . . 7.850 3.837 2.945 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 36 PHE QE 1 61 GLU H . . 7.850 3.399 2.364 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 36 PHE QE 1 61 GLU HA . . 7.850 2.679 2.038 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 36 PHE QE 1 63 THR H . . 7.850 6.277 5.190 7.576 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 36 PHE QE 1 64 LEU QD . . 7.590 2.456 1.896 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 36 PHE QE 1 95 ILE HA . . 7.850 3.718 2.773 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 36 PHE QE 1 95 ILE MG . . 8.550 2.568 2.150 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 36 PHE QE 1 98 LEU HA . . 7.850 4.612 4.015 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 36 PHE QE 1 98 LEU MD1 . . 8.880 3.166 2.279 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 36 PHE QE 1 99 LYS HA . . 7.020 3.935 2.801 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 36 PHE QE 1 99 LYS HB2 . . 7.850 3.392 2.412 5.601 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 36 PHE QE 1 102 THR H . . 7.850 6.124 4.703 7.160 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 36 PHE QE 1 102 THR MG . . 8.880 4.512 3.517 5.763 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 36 PHE QE 1 103 ASN QD . . 7.850 6.797 5.790 7.997 0.147 1 0 "[ . 1 . 2 . 3]" 1
588 1 36 PHE HZ 1 60 LYS H . . 5.700 5.679 4.790 5.936 0.236 25 0 "[ . 1 . 2 . 3]" 1
589 1 36 PHE HZ 1 61 GLU HA . . 5.700 3.920 2.826 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 36 PHE HZ 1 61 GLU QB . . 6.590 4.840 3.402 6.379 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 36 PHE HZ 1 61 GLU QG . . 5.700 5.258 3.708 6.395 0.695 23 2 "[ . 1 . 2 +-. 3]" 1
592 1 36 PHE HZ 1 64 LEU QD . . 5.370 2.569 2.203 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 36 PHE HZ 1 65 MET ME . . 6.730 5.526 2.748 6.274 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 36 PHE HZ 1 95 ILE MG . . 4.780 2.856 2.213 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 36 PHE HZ 1 98 LEU QB . . 6.260 3.168 2.432 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 36 PHE HZ 1 98 LEU MD1 . . 6.130 3.911 3.137 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 36 PHE HZ 1 98 LEU MD2 . . 6.730 5.543 4.760 6.264 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 36 PHE HZ 1 99 LYS QG . . 5.700 5.603 3.997 6.480 0.780 25 11 "[ ** * **1 . * * -*+ * 3]" 1
599 1 37 GLY H 1 38 ARG H . . 3.320 2.389 1.768 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 37 GLY H 1 58 THR MG . . 6.500 3.424 2.555 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 37 GLY H 1 59 TRP H . . 5.700 4.755 3.616 5.732 0.032 10 0 "[ . 1 . 2 . 3]" 1
602 1 37 GLY H 1 59 TRP HB2 . . 5.700 4.258 3.167 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 37 GLY H 1 60 LYS HB2 . . 5.700 4.692 3.087 5.759 0.059 23 0 "[ . 1 . 2 . 3]" 1
604 1 37 GLY HA2 1 58 THR MG . . 5.800 3.195 2.324 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 37 GLY HA3 1 38 ARG HA . . 5.300 4.582 4.062 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 37 GLY HA3 1 38 ARG QB . . 5.700 4.791 4.178 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 37 GLY HA3 1 58 THR MG . . 6.730 4.465 3.657 5.839 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 38 ARG H 1 38 ARG QB . . 3.720 2.680 2.069 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 38 ARG H 1 38 ARG QG . . 4.680 2.840 1.961 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 38 ARG H 1 39 LYS H . . 4.810 4.047 2.969 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 38 ARG H 1 58 THR MG . . 6.730 3.755 2.187 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 38 ARG HA 1 39 LYS H . . 3.420 2.790 2.213 3.515 0.095 17 0 "[ . 1 . 2 . 3]" 1
613 1 38 ARG HA 1 58 THR MG . . 6.730 4.231 3.366 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 38 ARG QB 1 38 ARG QG . . 2.400 2.103 1.980 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 38 ARG QB 1 42 GLN QB . . 6.160 4.834 3.665 6.306 0.146 6 0 "[ . 1 . 2 . 3]" 1
616 1 38 ARG QB 1 42 GLN QG . . 4.450 4.217 2.445 5.828 1.378 24 5 "[ - .* 1 . 2 +. * *]" 1
617 1 38 ARG QB 1 58 THR HA . . 5.700 5.807 4.621 6.506 0.806 15 5 "[- * . 1 + * . * 3]" 1
618 1 38 ARG QD 1 39 LYS QG . . 5.700 5.375 3.408 6.868 1.168 22 3 "[ . *1 . - 2 + . 3]" 1
619 1 38 ARG HE 1 39 LYS QG . . 5.700 5.489 3.025 6.457 0.757 29 8 "[ . **1 **. * 2* .- +3]" 1
620 1 38 ARG QG 1 39 LYS H . . 4.780 3.366 1.669 4.806 0.026 27 0 "[ . 1 . 2 . 3]" 1
621 1 38 ARG QH1 1 39 LYS HA . . 6.570 5.904 4.025 7.834 1.264 16 4 "[* . 1 .+ * . - 3]" 1
622 1 38 ARG QH1 1 39 LYS QB . . 6.570 5.207 3.170 7.582 1.012 16 1 "[ . 1 .+ 2 . 3]" 1
623 1 39 LYS H 1 39 LYS QB . . 3.920 2.898 2.380 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 39 LYS H 1 39 LYS QG . . 4.150 2.650 1.947 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 39 LYS H 1 40 THR H . . 4.680 4.335 2.646 4.683 0.003 25 0 "[ . 1 . 2 . 3]" 1
626 1 39 LYS H 1 42 GLN QG . . 5.240 4.645 2.712 6.032 0.792 26 5 "[ .* 1 .* 2 *.+ - 3]" 1
627 1 39 LYS H 1 58 THR HA . . 5.600 4.727 2.915 5.642 0.042 1 0 "[ . 1 . 2 . 3]" 1
628 1 39 LYS HA 1 39 LYS QG . . 3.980 3.172 2.298 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 39 LYS HA 1 40 THR MG . . 6.730 4.129 3.400 5.722 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 39 LYS HA 1 58 THR HA . . 3.590 2.651 2.007 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 39 LYS HA 1 58 THR MG . . 5.970 3.438 2.116 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 39 LYS HA 1 59 TRP H . . 5.170 3.607 2.184 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 39 LYS QB 1 40 THR H . . 3.360 2.355 1.751 3.917 0.557 16 1 "[ . 1 .+ 2 . 3]" 1
634 1 39 LYS QB 1 40 THR MG . . 6.730 3.872 2.726 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 40 THR H 1 41 GLY H . . 4.610 3.990 2.420 4.670 0.060 5 0 "[ . 1 . 2 . 3]" 1
636 1 40 THR H 1 41 GLY QA . . 5.270 4.870 4.007 5.499 0.229 2 0 "[ . 1 . 2 . 3]" 1
637 1 40 THR H 1 42 GLN QG . . 5.700 5.312 3.024 6.489 0.789 28 7 "[ . - * ** * . + *]" 1
638 1 40 THR H 1 57 ILE MD . . 6.730 4.633 3.036 5.948 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 40 THR H 1 59 TRP H . . 5.700 4.487 3.564 5.705 0.005 21 0 "[ . 1 . 2 . 3]" 1
640 1 40 THR HB 1 41 GLY H . . 5.010 3.366 2.007 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 40 THR HB 1 57 ILE MD . . 5.140 3.767 2.172 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 40 THR HB 1 59 TRP HE1 . . 5.300 3.336 2.316 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 40 THR MG 1 56 GLY H . . 6.730 3.119 2.043 6.282 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 40 THR MG 1 57 ILE HA . . 6.730 4.826 3.533 6.183 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 40 THR MG 1 59 TRP HD1 . . 6.730 4.147 2.200 5.586 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 40 THR MG 1 59 TRP HZ2 . . 6.730 3.901 2.290 5.773 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 41 GLY H 1 42 GLN HA . . 6.500 5.598 4.864 6.347 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 41 GLY H 1 42 GLN QB . . 5.860 4.890 3.915 5.668 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 41 GLY H 1 53 LYS QB . . 6.590 3.804 2.519 6.122 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 41 GLY H 1 59 TRP HE1 . . 5.700 4.392 2.714 5.859 0.159 15 0 "[ . 1 . 2 . 3]" 1
651 1 41 GLY QA 1 42 GLN HA . . 3.920 4.056 3.726 4.186 0.266 29 0 "[ . 1 . 2 . 3]" 1
652 1 41 GLY QA 1 42 GLN QB . . 5.300 4.383 3.896 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 41 GLY QA 1 43 ALA MB . . 5.940 4.568 3.395 5.418 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 41 GLY QA 1 53 LYS HA . . 3.790 3.102 2.131 3.985 0.195 15 0 "[ . 1 . 2 . 3]" 1
655 1 41 GLY QA 1 53 LYS QB . . 6.590 2.266 1.767 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 41 GLY QA 1 54 ASN HA . . 5.110 5.282 3.960 5.971 0.861 18 14 "[ * *. *** **. *+ - * ** *3]" 1
657 1 41 GLY QA 1 56 GLY H . . 5.700 5.707 4.723 6.485 0.785 1 5 "[+ . 1* * 2 * - 3]" 1
658 1 42 GLN H 1 42 GLN QG . . 4.050 2.977 1.853 4.274 0.224 15 0 "[ . 1 . 2 . 3]" 1
659 1 42 GLN H 1 53 LYS HA . . 5.700 5.645 4.725 5.927 0.227 5 0 "[ . 1 . 2 . 3]" 1
660 1 42 GLN HA 1 43 ALA H . . 3.550 3.046 2.131 3.554 0.004 18 0 "[ . 1 . 2 . 3]" 1
661 1 43 ALA HA 1 44 PRO QG . . 4.310 4.055 3.986 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 43 ALA HA 1 48 TYR QE . . 5.700 4.795 4.144 5.448 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 43 ALA MB 1 46 PHE HB3 . . 6.730 2.419 2.113 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 43 ALA MB 1 48 TYR QD . . 4.620 3.393 2.453 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 44 PRO HA 1 44 PRO QD . . 3.590 3.386 3.254 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 44 PRO HA 1 44 PRO QG . . 3.030 3.515 3.483 3.541 0.511 30 2 "[ -. 1 . 2 . +]" 1
667 1 44 PRO HA 1 46 PHE H . . 5.700 4.692 3.547 5.743 0.043 27 0 "[ . 1 . 2 . 3]" 1
668 1 44 PRO QD 1 46 PHE HB3 . . 5.500 4.397 2.802 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 45 GLY H 1 46 PHE H . . 4.280 3.018 2.216 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 45 GLY HA2 1 46 PHE HA . . 5.700 4.655 4.274 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 46 PHE H 1 46 PHE HB2 . . 3.790 3.152 2.504 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 46 PHE H 1 46 PHE HB3 . . 3.460 2.617 2.075 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 46 PHE HA 1 46 PHE HB2 . . 2.430 2.380 2.188 2.496 0.066 16 0 "[ . 1 . 2 . 3]" 1
674 1 46 PHE HB2 1 48 TYR QD . . 8.000 5.357 4.427 5.701 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 46 PHE HB3 1 48 TYR QD . . 5.700 4.161 3.192 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 46 PHE QD 1 47 THR HB . . 7.000 4.712 3.626 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 46 PHE QD 1 48 TYR QD . . 5.700 2.440 2.154 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 46 PHE QE 1 48 TYR HA . . 5.700 3.832 2.247 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 46 PHE QE 1 48 TYR QB . . 5.570 2.513 2.076 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 46 PHE QE 1 48 TYR QD . . 5.700 2.456 1.997 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 46 PHE HZ 1 48 TYR HA . . 5.700 3.796 2.846 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 46 PHE HZ 1 48 TYR QD . . 4.510 4.331 3.434 4.544 0.034 29 0 "[ . 1 . 2 . 3]" 1
683 1 46 PHE HZ 1 48 TYR QE . . 8.000 6.427 5.414 6.742 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 47 THR H 1 47 THR HB . . 3.850 3.029 2.535 3.900 0.050 10 0 "[ . 1 . 2 . 3]" 1
685 1 47 THR H 1 48 TYR H . . 5.700 3.940 2.666 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 47 THR HA 1 48 TYR QD . . 5.700 3.868 3.088 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 47 THR HA 1 48 TYR QE . . 8.000 4.675 3.523 5.765 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 47 THR MG 1 48 TYR HA . . 6.730 4.212 3.746 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 47 THR MG 1 48 TYR QB . . 6.730 4.974 4.616 5.836 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 48 TYR H 1 48 TYR QB . . 3.460 3.030 2.762 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 48 TYR H 1 49 THR H . . 5.300 4.141 2.261 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 48 TYR HA 1 49 THR H . . 3.520 2.758 2.092 3.557 0.037 5 0 "[ . 1 . 2 . 3]" 1
693 1 48 TYR QB 1 49 THR H . . 4.080 2.348 1.921 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 48 TYR QB 1 50 ASP H . . 5.700 5.282 2.643 6.493 0.793 4 4 "[ +* 1 . *2 . -]" 1
695 1 48 TYR QB 1 52 ASN QB . . 6.290 4.933 3.242 6.287 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 48 TYR QD 1 53 LYS QG . . 5.700 3.397 2.348 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 48 TYR QE 1 53 LYS QG . . 4.580 2.974 2.028 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 48 TYR HH 1 53 LYS HA . . 5.700 5.514 3.871 5.900 0.200 15 0 "[ . 1 . 2 . 3]" 1
699 1 49 THR H 1 52 ASN QB . . 6.590 5.112 3.627 6.355 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 49 THR HA 1 50 ASP H . . 3.460 2.515 2.079 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 49 THR HA 1 50 ASP QB . . 6.590 4.317 3.961 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 49 THR HB 1 50 ASP H . . 4.580 3.318 1.802 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 49 THR HB 1 50 ASP QB . . 6.590 4.992 4.009 6.236 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 49 THR HG1 1 52 ASN HA . . 5.700 5.621 4.373 5.899 0.199 3 0 "[ . 1 . 2 . 3]" 1
705 1 49 THR HG1 1 52 ASN QB . . 6.590 3.515 2.740 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 49 THR HG1 1 77 GLY H . . 5.700 5.446 4.061 5.876 0.176 17 0 "[ . 1 . 2 . 3]" 1
707 1 49 THR HG1 1 78 THR MG . . 6.730 5.094 3.978 5.840 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 50 ASP H 1 51 ALA H . . 4.970 3.374 2.187 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 50 ASP H 1 52 ASN H . . 5.700 4.930 3.466 5.708 0.008 26 0 "[ . 1 . 2 . 3]" 1
710 1 50 ASP HA 1 52 ASN H . . 5.670 4.506 3.193 5.588 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 50 ASP HA 1 53 LYS H . . 5.040 4.125 2.664 5.162 0.122 2 0 "[ . 1 . 2 . 3]" 1
712 1 50 ASP HA 1 53 LYS QB . . 6.590 3.966 2.324 5.912 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 50 ASP HA 1 54 ASN H . . 5.700 3.982 2.638 5.426 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 50 ASP QB 1 51 ALA H . . 6.590 2.792 1.834 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 51 ALA H 1 52 ASN H . . 5.700 3.251 1.993 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 51 ALA H 1 52 ASN QB . . 6.520 5.000 3.053 6.135 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 51 ALA H 1 53 LYS H . . 5.700 4.709 2.969 5.767 0.067 3 0 "[ . 1 . 2 . 3]" 1
718 1 51 ALA HA 1 52 ASN H . . 5.700 3.493 2.378 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 51 ALA HA 1 54 ASN H . . 5.540 3.997 3.407 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 51 ALA HA 1 54 ASN QB . . 4.680 2.907 2.196 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 51 ALA HA 1 55 LYS H . . 5.210 4.087 2.956 5.239 0.029 8 0 "[ . 1 . 2 . 3]" 1
722 1 51 ALA MB 1 52 ASN H . . 5.080 2.587 1.977 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 51 ALA MB 1 76 PRO HD2 . . 6.330 3.984 2.134 5.760 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 52 ASN H 1 53 LYS H . . 3.790 2.902 2.014 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 52 ASN H 1 54 ASN H . . 4.680 4.100 2.592 4.708 0.028 11 0 "[ . 1 . 2 . 3]" 1
726 1 52 ASN H 1 55 LYS H . . 5.140 4.648 2.583 5.179 0.039 10 0 "[ . 1 . 2 . 3]" 1
727 1 52 ASN H 1 75 ILE MG . . 6.730 5.482 3.525 6.345 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 52 ASN HA 1 53 LYS H . . 4.080 3.569 3.375 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 52 ASN HA 1 54 ASN H . . 5.170 4.650 3.945 5.183 0.013 11 0 "[ . 1 . 2 . 3]" 1
730 1 52 ASN HA 1 55 LYS H . . 4.740 3.773 3.035 4.819 0.079 23 0 "[ . 1 . 2 . 3]" 1
731 1 52 ASN HA 1 56 GLY H . . 5.040 4.785 3.134 5.254 0.214 12 0 "[ . 1 . 2 . 3]" 1
732 1 52 ASN HA 1 75 ILE HA . . 5.470 5.352 4.335 5.667 0.197 21 0 "[ . 1 . 2 . 3]" 1
733 1 52 ASN HA 1 78 THR HG1 . . 5.700 5.279 4.267 5.859 0.159 16 0 "[ . 1 . 2 . 3]" 1
734 1 52 ASN QB 1 53 LYS H . . 4.310 2.666 2.016 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 52 ASN QB 1 53 LYS HA . . 5.330 4.413 3.981 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 52 ASN QB 1 54 ASN QB . . 6.590 5.738 5.295 6.452 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 52 ASN QB 1 55 LYS QB . . 6.590 4.889 3.894 5.963 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 52 ASN QB 1 67 TYR QE . . 6.590 4.586 3.886 5.496 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 52 ASN QB 1 78 THR MG . . 7.620 4.202 3.152 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 53 LYS H 1 53 LYS QB . . 3.690 2.498 2.103 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 53 LYS H 1 53 LYS QG . . 3.320 2.644 1.884 3.873 0.553 21 1 "[ . 1 . 2+ . 3]" 1
742 1 53 LYS H 1 54 ASN H . . 3.190 2.763 1.847 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 53 LYS H 1 55 LYS H . . 4.610 4.233 3.499 4.639 0.029 7 0 "[ . 1 . 2 . 3]" 1
744 1 53 LYS HA 1 54 ASN H . . 4.380 3.530 3.255 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 53 LYS HA 1 54 ASN HA . . 5.140 4.794 4.545 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 53 LYS HA 1 55 LYS H . . 5.340 4.363 3.796 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 53 LYS QB 1 54 ASN H . . 4.480 2.868 2.279 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 53 LYS QB 1 54 ASN QB . . 6.590 4.168 3.414 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 53 LYS QB 1 55 LYS H . . 5.830 4.891 4.471 5.595 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 53 LYS QB 1 56 GLY H . . 6.590 5.235 4.629 6.384 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 53 LYS QE 1 54 ASN QB . . 5.700 5.482 1.969 6.923 1.223 19 10 "[ -.** 1* *. +2 * * ** 3]" 1
752 1 53 LYS QG 1 55 LYS H . . 5.700 5.761 4.948 6.447 0.747 21 4 "[ . - 1 . 2+ .* * 3]" 1
753 1 54 ASN H 1 54 ASN QB . . 3.190 2.197 2.012 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 54 ASN H 1 55 LYS H . . 3.320 2.777 2.387 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 54 ASN H 1 56 GLY H . . 5.700 4.440 3.827 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 54 ASN HA 1 56 GLY H . . 5.700 4.350 3.662 5.589 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 54 ASN QB 1 55 LYS H . . 3.520 2.794 2.197 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 55 LYS H 1 55 LYS QB . . 3.320 2.288 2.052 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 55 LYS H 1 55 LYS HD2 . . 5.670 5.022 2.566 6.338 0.668 11 1 "[ . 1+ . 2 . 3]" 1
760 1 55 LYS H 1 55 LYS HG2 . . 5.370 3.962 2.471 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 55 LYS H 1 56 GLY H . . 3.460 2.724 1.961 3.510 0.050 22 0 "[ . 1 . 2 . 3]" 1
762 1 55 LYS HA 1 55 LYS QE . . 5.700 3.462 1.855 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 55 LYS HA 1 56 GLY H . . 4.120 3.351 2.322 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 55 LYS QB 1 55 LYS QE . . 4.250 3.118 2.040 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 55 LYS QB 1 56 GLY H . . 4.880 3.095 2.384 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 55 LYS QE 1 56 GLY H . . 5.700 5.469 3.753 6.429 0.729 4 7 "[ +.- 1 . * * .* **]" 1
767 1 55 LYS HG2 1 56 GLY H . . 5.440 5.013 3.698 5.610 0.170 10 0 "[ . 1 . 2 . 3]" 1
768 1 56 GLY H 1 57 ILE H . . 4.610 3.377 2.581 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 56 GLY HA2 1 57 ILE H . . 4.380 2.965 2.097 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 56 GLY HA2 1 57 ILE HA . . 5.040 4.810 4.286 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 56 GLY HA3 1 57 ILE H . . 4.410 3.104 2.194 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 57 ILE H 1 57 ILE HB . . 4.280 3.644 3.504 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 57 ILE H 1 57 ILE QG . . 3.720 2.469 1.843 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 57 ILE H 1 57 ILE MG . . 4.650 2.560 1.870 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 57 ILE H 1 58 THR H . . 4.780 3.383 1.768 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 57 ILE H 1 58 THR HA . . 5.700 5.175 3.774 5.804 0.104 19 0 "[ . 1 . 2 . 3]" 1
777 1 57 ILE H 1 63 THR MG . . 6.730 5.727 5.135 6.292 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 57 ILE HA 1 57 ILE HB . . 2.730 2.526 2.327 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 57 ILE HA 1 58 THR H . . 3.490 2.962 2.203 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 57 ILE MD 1 58 THR MG . . 7.760 4.996 4.442 6.358 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 57 ILE MD 1 59 TRP H . . 6.030 3.736 1.969 5.688 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 57 ILE MD 1 59 TRP HA . . 6.130 3.653 2.348 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 57 ILE MD 1 59 TRP HE1 . . 6.730 4.226 3.005 5.489 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 57 ILE MD 1 59 TRP HE3 . . 6.200 3.402 2.886 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 57 ILE MD 1 59 TRP HH2 . . 6.100 3.131 2.494 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 57 ILE MD 1 59 TRP HZ2 . . 6.730 3.367 2.625 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 57 ILE MD 1 59 TRP HZ3 . . 5.410 3.156 2.627 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 57 ILE MD 1 60 LYS H . . 6.730 5.105 3.585 6.269 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 57 ILE MD 1 63 THR HA . . 6.730 4.802 3.895 6.277 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 57 ILE MD 1 63 THR HB . . 5.140 2.805 2.068 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 57 ILE MD 1 63 THR HG1 . . 6.300 3.531 2.457 5.802 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 57 ILE MD 1 63 THR MG . . 6.900 3.234 2.272 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 57 ILE MD 1 64 LEU H . . 6.730 5.461 4.703 6.288 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 57 ILE MD 1 64 LEU QD . . 6.370 5.009 4.124 5.961 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 57 ILE MD 1 74 TYR HD2 . . 6.730 4.160 2.351 5.075 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 57 ILE MD 1 74 TYR HE2 . . 5.140 2.917 2.177 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 57 ILE MD 1 75 ILE MD . . 7.760 3.229 2.365 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 57 ILE QG 1 58 THR H . . 5.040 3.942 1.940 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 57 ILE QG 1 59 TRP HE1 . . 5.700 5.744 4.568 6.425 0.725 20 6 "[ . 1* .* -+ *. * 3]" 1
800 1 57 ILE QG 1 59 TRP HE3 . . 5.700 4.944 3.688 5.941 0.241 16 0 "[ . 1 . 2 . 3]" 1
801 1 57 ILE QG 1 59 TRP HH2 . . 5.700 4.197 3.049 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 57 ILE QG 1 59 TRP HZ2 . . 4.510 4.684 3.569 5.294 0.784 24 8 "[ * -. 1* .* ** +. * 3]" 1
803 1 57 ILE QG 1 59 TRP HZ3 . . 5.700 4.311 3.116 5.198 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 57 ILE QG 1 63 THR HB . . 4.880 3.686 2.205 4.913 0.033 23 0 "[ . 1 . 2 . 3]" 1
805 1 57 ILE QG 1 64 LEU QD . . 6.730 6.351 5.346 7.408 0.678 16 1 "[ . 1 .+ 2 . 3]" 1
806 1 57 ILE QG 1 74 TYR HE2 . . 4.880 2.998 2.148 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 57 ILE QG 1 75 ILE QG . . 5.700 4.698 3.518 5.868 0.168 4 0 "[ . 1 . 2 . 3]" 1
808 1 58 THR H 1 58 THR HA . . 2.860 2.462 2.199 2.964 0.104 17 0 "[ . 1 . 2 . 3]" 1
809 1 58 THR H 1 58 THR HB . . 4.020 3.227 2.473 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 58 THR H 1 59 TRP H . . 5.600 3.830 1.763 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 58 THR HA 1 59 TRP H . . 3.190 2.216 2.019 3.375 0.185 10 0 "[ . 1 . 2 . 3]" 1
812 1 58 THR HB 1 60 LYS QE . . 4.180 3.814 2.150 5.030 0.850 19 8 "[ ** - *. +2 * .* *3]" 1
813 1 58 THR HB 1 63 THR HG1 . . 5.700 4.478 3.793 5.754 0.054 15 0 "[ . 1 . 2 . 3]" 1
814 1 58 THR MG 1 59 TRP HA . . 6.730 4.341 3.992 5.532 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 58 THR MG 1 59 TRP HB2 . . 6.730 4.484 4.078 5.630 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 58 THR MG 1 60 LYS H . . 6.730 4.618 3.286 5.857 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 58 THR MG 1 60 LYS HB3 . . 6.430 3.175 2.152 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 59 TRP H 1 59 TRP HB2 . . 3.620 2.469 2.214 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 59 TRP H 1 59 TRP HB3 . . 4.280 3.593 3.442 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 59 TRP H 1 59 TRP HD1 . . 5.700 3.578 2.847 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 59 TRP H 1 60 LYS H . . 4.640 4.429 3.416 4.645 0.005 30 0 "[ . 1 . 2 . 3]" 1
822 1 59 TRP HA 1 59 TRP HE3 . . 3.460 2.129 1.979 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 59 TRP HA 1 60 LYS H . . 3.290 2.129 2.006 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 59 TRP HA 1 63 THR HG1 . . 4.210 2.409 2.190 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 59 TRP HA 1 63 THR MG . . 6.730 3.969 3.392 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 59 TRP HA 1 64 LEU H . . 4.940 4.061 3.400 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 59 TRP HA 1 64 LEU QD . . 6.730 3.490 2.264 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 59 TRP HA 1 64 LEU HG . . 5.700 4.511 3.752 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 59 TRP HB2 1 64 LEU QD . . 6.400 3.841 3.097 5.062 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 59 TRP HB3 1 64 LEU QD . . 6.200 2.434 1.992 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 59 TRP HE3 1 60 LYS H . . 5.700 3.236 2.852 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 59 TRP HE3 1 63 THR HA . . 5.700 4.833 4.394 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 59 TRP HE3 1 63 THR HB . . 5.700 3.158 2.188 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 59 TRP HE3 1 63 THR HG1 . . 5.700 3.222 2.775 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 59 TRP HE3 1 63 THR MG . . 6.730 4.300 3.721 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 59 TRP HE3 1 64 LEU H . . 5.700 3.303 2.654 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 59 TRP HE3 1 64 LEU HA . . 5.700 3.239 2.758 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 59 TRP HE3 1 64 LEU QB . . 6.590 3.344 2.483 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 59 TRP HE3 1 64 LEU QD . . 5.470 3.017 2.096 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 59 TRP HE3 1 64 LEU HG . . 3.880 2.996 2.429 3.890 0.010 19 0 "[ . 1 . 2 . 3]" 1
841 1 59 TRP HE3 1 67 TYR HB2 . . 5.700 4.604 4.153 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 59 TRP HE3 1 67 TYR HD2 . . 5.700 5.072 4.056 5.685 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 59 TRP HH2 1 64 LEU HA . . 5.700 4.733 4.214 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 59 TRP HH2 1 64 LEU HG . . 5.700 5.127 4.241 5.730 0.030 24 0 "[ . 1 . 2 . 3]" 1
845 1 59 TRP HH2 1 67 TYR H . . 5.700 5.247 4.959 5.606 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 59 TRP HH2 1 67 TYR HA . . 5.700 4.615 4.294 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 59 TRP HH2 1 67 TYR HB2 . . 4.380 2.739 2.485 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 59 TRP HH2 1 67 TYR HB3 . . 5.340 3.648 3.444 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 59 TRP HH2 1 67 TYR HD2 . . 4.210 4.108 3.709 4.323 0.113 24 0 "[ . 1 . 2 . 3]" 1
850 1 59 TRP HH2 1 74 TYR HD2 . . 5.700 3.259 2.476 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 59 TRP HH2 1 74 TYR HE2 . . 5.700 3.885 2.916 5.480 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 59 TRP HH2 1 75 ILE MG . . 6.730 4.034 3.171 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 59 TRP HZ2 1 78 THR HG1 . . 5.700 5.678 5.126 5.859 0.159 21 0 "[ . 1 . 2 . 3]" 1
854 1 59 TRP HZ3 1 63 THR H . . 5.700 5.600 5.361 5.750 0.050 6 0 "[ . 1 . 2 . 3]" 1
855 1 59 TRP HZ3 1 63 THR HB . . 5.700 3.039 2.513 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 59 TRP HZ3 1 64 LEU HA . . 4.680 2.832 2.272 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 59 TRP HZ3 1 64 LEU QD . . 5.140 4.055 3.510 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 59 TRP HZ3 1 64 LEU HG . . 4.510 3.799 3.036 4.527 0.017 16 0 "[ . 1 . 2 . 3]" 1
859 1 59 TRP HZ3 1 67 TYR HA . . 5.540 4.571 4.357 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 59 TRP HZ3 1 67 TYR HB2 . . 3.950 2.260 2.121 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 59 TRP HZ3 1 67 TYR HB3 . . 4.880 2.565 2.333 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 59 TRP HZ3 1 67 TYR HD1 . . 4.280 4.257 4.086 4.374 0.094 3 0 "[ . 1 . 2 . 3]" 1
863 1 59 TRP HZ3 1 67 TYR HD2 . . 5.700 3.988 3.436 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 59 TRP HZ3 1 68 LEU QD . . 6.730 5.667 4.605 6.777 0.047 12 0 "[ . 1 . 2 . 3]" 1
865 1 60 LYS H 1 60 LYS HB3 . . 3.750 3.435 2.829 3.807 0.057 21 0 "[ . 1 . 2 . 3]" 1
866 1 60 LYS H 1 60 LYS QD . . 5.700 4.444 2.492 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 60 LYS H 1 60 LYS QE . . 5.700 4.894 3.459 6.391 0.691 5 2 "[ +- 1 . 2 . 3]" 1
868 1 60 LYS H 1 60 LYS HG2 . . 4.450 3.450 2.622 4.694 0.244 29 0 "[ . 1 . 2 . 3]" 1
869 1 60 LYS H 1 61 GLU H . . 5.700 3.776 1.939 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 60 LYS H 1 63 THR HG1 . . 5.700 2.654 1.824 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 60 LYS H 1 64 LEU QD . . 6.660 3.251 1.917 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 60 LYS HA 1 61 GLU H . . 3.790 2.843 2.325 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 60 LYS HA 1 61 GLU HA . . 5.170 4.449 3.976 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 60 LYS HA 1 62 GLU H . . 5.700 4.904 4.110 5.817 0.117 17 0 "[ . 1 . 2 . 3]" 1
875 1 60 LYS HB2 1 63 THR HG1 . . 5.700 5.090 2.775 5.866 0.166 8 0 "[ . 1 . 2 . 3]" 1
876 1 60 LYS QD 1 61 GLU H . . 5.470 3.548 1.913 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 60 LYS QD 1 61 GLU QG . . 4.610 4.843 2.722 6.045 1.435 5 13 "[-* +*** ** *.* 2 ** . * 3]" 1
878 1 60 LYS QD 1 62 GLU H . . 5.700 3.677 1.924 5.827 0.127 15 0 "[ . 1 . 2 . 3]" 1
879 1 60 LYS QD 1 62 GLU QG . . 4.780 3.524 2.421 5.653 0.873 4 1 "[ +. 1 . 2 . 3]" 1
880 1 60 LYS QD 1 63 THR H . . 5.700 4.311 2.450 6.301 0.601 10 1 "[ . + . 2 . 3]" 1
881 1 60 LYS QD 1 63 THR HG1 . . 5.700 4.383 2.298 5.976 0.276 29 0 "[ . 1 . 2 . 3]" 1
882 1 60 LYS QE 1 61 GLU H . . 5.700 4.561 3.564 5.733 0.033 16 0 "[ . 1 . 2 . 3]" 1
883 1 60 LYS QE 1 62 GLU H . . 5.700 4.606 2.191 6.243 0.543 22 1 "[ . 1 . 2 + . 3]" 1
884 1 60 LYS QE 1 63 THR MG . . 5.410 3.366 1.945 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 60 LYS HG2 1 61 GLU H . . 5.700 3.602 1.821 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 60 LYS HG2 1 62 GLU H . . 4.970 4.025 2.382 5.015 0.045 28 0 "[ . 1 . 2 . 3]" 1
887 1 60 LYS HG2 1 62 GLU QB . . 5.370 4.068 2.415 5.976 0.606 20 1 "[ . 1 . + . 3]" 1
888 1 60 LYS HG2 1 62 GLU QG . . 5.700 4.680 2.518 5.990 0.290 4 0 "[ . 1 . 2 . 3]" 1
889 1 61 GLU H 1 61 GLU QG . . 4.180 3.145 1.967 4.321 0.141 8 0 "[ . 1 . 2 . 3]" 1
890 1 61 GLU H 1 62 GLU H . . 3.820 2.985 1.864 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 61 GLU H 1 62 GLU HA . . 5.700 5.402 4.545 5.752 0.052 15 0 "[ . 1 . 2 . 3]" 1
892 1 61 GLU H 1 62 GLU QG . . 4.050 4.304 3.143 4.927 0.877 4 10 "[** +* *1 *. *2 -*. *3]" 1
893 1 61 GLU H 1 63 THR H . . 5.470 4.326 2.792 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 61 GLU H 1 64 LEU QD . . 6.730 4.823 2.657 5.635 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 61 GLU H 1 95 ILE MG . . 6.730 4.755 3.744 6.012 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 61 GLU HA 1 61 GLU QG . . 3.690 2.794 2.176 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 61 GLU HA 1 62 GLU H . . 4.210 3.314 2.595 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 61 GLU HA 1 62 GLU QG . . 4.580 4.906 4.217 5.376 0.796 29 10 "[* **. 1 -*. ** **. +3]" 1
899 1 61 GLU HA 1 64 LEU QD . . 6.070 4.206 2.256 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 61 GLU HA 1 65 MET QG . . 4.680 4.724 3.107 5.597 0.917 25 12 "[* *. -* 1 ***. * 2 *+* * 3]" 1
901 1 61 GLU QB 1 62 GLU H . . 5.860 3.233 1.944 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 61 GLU QB 1 62 GLU HA . . 5.630 4.449 3.724 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 61 GLU QB 1 62 GLU QB . . 7.080 4.772 4.089 5.484 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 61 GLU QB 1 62 GLU QG . . 3.720 3.600 2.569 4.476 0.756 30 7 "[ *. 1 . - *** *+]" 1
905 1 61 GLU QB 1 95 ILE MD . . 7.620 4.034 2.336 5.750 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 61 GLU QB 1 99 LYS QG . . 5.600 4.715 2.165 6.163 0.563 2 1 "[ + . 1 . 2 . 3]" 1
907 1 61 GLU QG 1 62 GLU H . . 3.980 3.352 1.781 4.547 0.567 15 5 "[ . * 1 *+ 2 .- * 3]" 1
908 1 61 GLU QG 1 62 GLU QB . . 7.390 4.906 3.565 6.047 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 61 GLU QG 1 62 GLU QG . . 4.710 3.618 2.304 5.379 0.669 1 1 "[+ . 1 . 2 . 3]" 1
910 1 62 GLU H 1 62 GLU QG . . 3.750 2.509 1.796 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 62 GLU H 1 63 THR H . . 4.120 2.752 1.797 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 62 GLU H 1 63 THR HA . . 5.700 5.290 4.580 5.755 0.055 9 0 "[ . 1 . 2 . 3]" 1
913 1 62 GLU H 1 63 THR MG . . 6.730 4.207 3.399 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 62 GLU H 1 64 LEU H . . 5.700 3.930 2.668 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 62 GLU H 1 65 MET H . . 5.700 4.512 2.926 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 62 GLU H 1 65 MET ME . . 4.810 4.030 2.516 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 62 GLU H 1 95 ILE MG . . 6.730 5.330 4.182 6.284 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 62 GLU HA 1 62 GLU QG . . 3.520 2.663 2.407 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 62 GLU HA 1 63 THR H . . 4.450 3.424 2.961 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 62 GLU HA 1 64 LEU H . . 4.880 4.793 4.014 5.049 0.169 9 0 "[ . 1 . 2 . 3]" 1
921 1 62 GLU HA 1 65 MET H . . 4.610 4.005 2.993 4.702 0.092 16 0 "[ . 1 . 2 . 3]" 1
922 1 62 GLU HA 1 65 MET QB . . 5.860 3.277 2.248 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 62 GLU HA 1 66 GLU H . . 5.170 4.495 3.987 5.235 0.065 11 0 "[ . 1 . 2 . 3]" 1
924 1 62 GLU QB 1 64 LEU H . . 6.590 4.746 4.229 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 62 GLU QG 1 63 THR MG . . 6.730 4.468 2.318 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 63 THR H 1 64 LEU H . . 3.290 2.546 1.843 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 63 THR H 1 65 MET H . . 4.740 3.666 2.584 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 63 THR H 1 65 MET ME . . 6.170 4.981 3.475 5.788 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 63 THR H 1 66 GLU H . . 4.840 4.550 3.532 5.092 0.252 25 0 "[ . 1 . 2 . 3]" 1
930 1 63 THR HA 1 64 LEU QD . . 6.130 5.590 4.744 5.997 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 63 THR HA 1 65 MET H . . 4.540 4.165 3.859 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 63 THR HA 1 66 GLU H . . 4.740 3.470 3.202 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 63 THR HA 1 66 GLU HB2 . . 3.550 3.307 2.185 3.659 0.109 17 0 "[ . 1 . 2 . 3]" 1
934 1 63 THR HA 1 66 GLU HB3 . . 3.490 3.218 2.813 3.697 0.207 16 0 "[ . 1 . 2 . 3]" 1
935 1 63 THR HA 1 67 TYR H . . 3.980 3.747 3.553 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 63 THR HA 1 67 TYR HB3 . . 4.840 4.991 4.929 5.072 0.232 7 0 "[ . 1 . 2 . 3]" 1
937 1 63 THR HB 1 64 LEU H . . 4.250 3.745 3.103 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 63 THR HB 1 65 MET H . . 5.700 5.533 5.205 5.722 0.022 29 0 "[ . 1 . 2 . 3]" 1
939 1 63 THR HB 1 74 TYR HE2 . . 5.700 2.525 2.173 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 63 THR HG1 1 64 LEU H . . 5.700 3.668 1.951 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 63 THR MG 1 64 LEU QD . . 7.130 5.278 4.177 5.864 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 63 THR MG 1 74 TYR HE2 . . 6.460 3.466 2.351 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 64 LEU H 1 64 LEU HG . . 3.950 3.945 3.489 4.164 0.214 1 0 "[ . 1 . 2 . 3]" 1
944 1 64 LEU H 1 65 MET H . . 3.550 2.588 2.317 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 64 LEU H 1 66 GLU H . . 4.970 4.257 4.073 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 64 LEU H 1 67 TYR H . . 4.410 4.521 4.433 4.602 0.192 5 0 "[ . 1 . 2 . 3]" 1
947 1 64 LEU H 1 67 TYR HB3 . . 4.640 4.592 4.487 4.670 0.030 11 0 "[ . 1 . 2 . 3]" 1
948 1 64 LEU H 1 68 LEU H . . 5.700 5.669 5.569 5.770 0.070 18 0 "[ . 1 . 2 . 3]" 1
949 1 64 LEU H 1 68 LEU QD . . 6.730 6.251 5.047 7.001 0.271 2 0 "[ . 1 . 2 . 3]" 1
950 1 64 LEU HA 1 64 LEU HG . . 3.260 2.396 2.200 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 64 LEU HA 1 66 GLU H . . 4.310 4.436 4.338 4.478 0.168 4 0 "[ . 1 . 2 . 3]" 1
952 1 64 LEU HA 1 67 TYR HA . . 4.780 4.915 4.842 4.978 0.198 2 0 "[ . 1 . 2 . 3]" 1
953 1 64 LEU HA 1 67 TYR HB2 . . 4.810 3.425 3.206 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 64 LEU HA 1 67 TYR HB3 . . 3.950 2.034 1.945 2.093 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 64 LEU HA 1 67 TYR QE . . 5.700 5.333 4.802 5.557 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 64 LEU HA 1 68 LEU H . . 3.460 3.302 3.059 3.461 0.001 1 0 "[ . 1 . 2 . 3]" 1
957 1 64 LEU HA 1 68 LEU QB . . 5.010 4.325 3.813 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 64 LEU QB 1 65 MET H . . 4.450 3.020 2.771 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 64 LEU QB 1 67 TYR HB3 . . 6.590 4.237 3.913 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 64 LEU QB 1 68 LEU H . . 4.680 4.461 3.886 4.763 0.083 1 0 "[ . 1 . 2 . 3]" 1
961 1 64 LEU QB 1 68 LEU QB . . 7.480 4.307 3.420 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 64 LEU QB 1 95 ILE MG . . 7.550 4.242 3.408 5.391 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 64 LEU QD 1 65 MET H . . 6.730 4.110 3.877 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 64 LEU QD 1 67 TYR HB3 . . 6.730 3.570 2.925 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 64 LEU QD 1 80 MET ME . . 7.760 4.898 4.126 6.124 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 64 LEU QD 1 95 ILE H . . 5.140 5.346 4.755 5.831 0.691 12 6 "[ * 1*+ . -* * 3]" 1
967 1 64 LEU QD 1 95 ILE HA . . 6.270 3.907 3.203 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 64 LEU QD 1 95 ILE HG12 . . 6.730 4.166 2.323 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 64 LEU QD 1 95 ILE MG . . 6.340 4.166 3.194 5.391 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 64 LEU QD 1 98 LEU MD1 . . 6.200 2.684 2.289 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 64 LEU QD 1 98 LEU MD2 . . 6.270 4.174 3.721 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 64 LEU QD 1 99 LYS H . . 6.730 5.534 5.052 6.136 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 64 LEU QD 1 99 LYS QE . . 7.530 6.499 5.258 7.512 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 64 LEU HG 1 68 LEU QD . . 6.430 4.121 2.981 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 65 MET H 1 65 MET ME . . 4.710 3.622 1.944 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 65 MET H 1 65 MET QG . . 4.610 3.292 2.205 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 65 MET H 1 66 GLU H . . 3.720 2.543 2.332 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 65 MET H 1 67 TYR H . . 3.820 3.881 3.821 3.942 0.122 21 0 "[ . 1 . 2 . 3]" 1
979 1 65 MET H 1 68 LEU H . . 4.780 4.643 4.523 4.787 0.007 14 0 "[ . 1 . 2 . 3]" 1
980 1 65 MET H 1 95 ILE MD . . 5.280 3.421 2.834 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 65 MET HA 1 68 LEU H . . 4.580 3.733 3.500 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 65 MET HA 1 68 LEU QB . . 4.740 3.448 2.846 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 65 MET HA 1 69 GLU H . . 3.850 3.915 3.775 4.069 0.219 24 0 "[ . 1 . 2 . 3]" 1
984 1 65 MET HA 1 91 ARG QD . . 5.470 2.620 1.934 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 65 MET HA 1 91 ARG HE . . 4.880 3.585 2.509 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 65 MET QB 1 66 GLU H . . 4.610 2.529 2.271 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 65 MET ME 1 95 ILE HA . . 6.400 5.500 4.018 6.020 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 65 MET ME 1 95 ILE MD . . 6.300 3.071 1.917 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 65 MET ME 1 95 ILE MG . . 7.000 2.699 2.037 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 65 MET QG 1 66 GLU H . . 5.700 4.155 3.773 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 65 MET QG 1 95 ILE HB . . 5.170 4.709 3.617 5.914 0.744 14 5 "[ -. ** +.* 2 . 3]" 1
992 1 65 MET QG 1 95 ILE MD . . 6.730 2.927 1.912 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 66 GLU H 1 66 GLU HB2 . . 3.130 2.268 2.025 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 66 GLU H 1 66 GLU HB3 . . 3.520 2.896 2.615 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 66 GLU H 1 66 GLU QG . . 3.850 3.908 3.218 4.125 0.275 28 0 "[ . 1 . 2 . 3]" 1
996 1 66 GLU H 1 67 TYR H . . 3.260 2.659 2.568 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 66 GLU H 1 67 TYR HA . . 5.370 5.282 5.165 5.391 0.021 14 0 "[ . 1 . 2 . 3]" 1
998 1 66 GLU H 1 67 TYR HB2 . . 5.210 5.154 5.001 5.256 0.046 16 0 "[ . 1 . 2 . 3]" 1
999 1 66 GLU H 1 68 LEU H . . 4.780 4.500 4.341 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 66 GLU H 1 69 GLU H . . 5.600 4.903 4.754 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 66 GLU HA 1 66 GLU QG . . 3.690 2.638 2.097 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 66 GLU HA 1 67 TYR H . . 3.650 3.580 3.546 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 66 GLU HA 1 68 LEU H . . 5.470 4.962 4.678 5.164 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 66 GLU HA 1 69 GLU HB2 . . 2.990 2.978 2.543 3.140 0.150 6 0 "[ . 1 . 2 . 3]" 1
1005 1 66 GLU HA 1 69 GLU QG . . 4.380 4.193 3.125 5.029 0.649 30 1 "[ . 1 . 2 . +]" 1
1006 1 66 GLU HA 1 70 ASN H . . 5.110 4.218 3.907 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 66 GLU HB2 1 67 TYR H . . 3.650 3.486 2.479 3.720 0.070 22 0 "[ . 1 . 2 . 3]" 1
1008 1 66 GLU HB2 1 74 TYR HE2 . . 5.300 5.297 4.708 5.441 0.141 28 0 "[ . 1 . 2 . 3]" 1
1009 1 66 GLU HB3 1 67 TYR H . . 3.550 2.615 2.405 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 66 GLU HB3 1 67 TYR HA . . 4.080 4.025 3.612 4.179 0.099 13 0 "[ . 1 . 2 . 3]" 1
1011 1 66 GLU HB3 1 67 TYR HB2 . . 5.110 4.182 3.958 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 66 GLU HB3 1 74 TYR QB . . 5.700 3.590 2.662 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 66 GLU HB3 1 74 TYR HD2 . . 4.310 4.099 3.572 4.386 0.076 1 0 "[ . 1 . 2 . 3]" 1
1014 1 66 GLU QG 1 67 TYR H . . 5.630 4.086 3.672 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 67 TYR H 1 67 TYR HB2 . . 3.360 2.606 2.522 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 67 TYR H 1 67 TYR HB3 . . 3.460 2.325 2.213 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 67 TYR H 1 67 TYR HD1 . . 5.700 4.805 4.718 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 67 TYR H 1 68 LEU H . . 3.160 3.009 2.906 3.188 0.028 3 0 "[ . 1 . 2 . 3]" 1
1019 1 67 TYR H 1 68 LEU QB . . 5.500 4.834 4.631 5.214 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 67 TYR H 1 69 GLU H . . 5.170 4.316 4.119 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 67 TYR H 1 74 TYR QB . . 5.700 4.108 3.915 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 67 TYR H 1 74 TYR HD2 . . 5.700 3.884 3.445 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 67 TYR HA 1 68 LEU H . . 3.880 3.685 3.626 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 67 TYR HA 1 69 GLU H . . 4.880 4.573 4.327 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 67 TYR HA 1 70 ASN H . . 4.680 3.548 3.332 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 67 TYR HA 1 71 PRO HB2 . . 5.670 5.028 4.759 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 67 TYR HA 1 71 PRO HB3 . . 4.080 3.925 3.654 4.139 0.059 1 0 "[ . 1 . 2 . 3]" 1
1028 1 67 TYR HA 1 74 TYR H . . 4.310 4.321 4.044 4.422 0.112 11 0 "[ . 1 . 2 . 3]" 1
1029 1 67 TYR HA 1 74 TYR HA . . 5.140 5.222 5.006 5.319 0.179 11 0 "[ . 1 . 2 . 3]" 1
1030 1 67 TYR HA 1 74 TYR QB . . 3.260 2.428 2.299 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 67 TYR HA 1 74 TYR HD2 . . 4.710 2.970 2.611 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 67 TYR HA 1 74 TYR HE2 . . 5.700 4.894 4.441 5.629 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 67 TYR HB2 1 68 LEU H . . 4.080 4.008 3.865 4.126 0.046 15 0 "[ . 1 . 2 . 3]" 1
1034 1 67 TYR HB2 1 70 ASN H . . 5.700 5.709 5.520 5.845 0.145 6 0 "[ . 1 . 2 . 3]" 1
1035 1 67 TYR HB2 1 74 TYR HD2 . . 4.380 2.181 2.075 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 67 TYR HB2 1 74 TYR HE2 . . 4.970 3.257 2.897 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 67 TYR HB2 1 75 ILE MD . . 6.200 3.882 3.008 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 67 TYR HB2 1 75 ILE MG . . 6.730 4.739 4.182 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 67 TYR HB3 1 68 LEU H . . 3.320 2.634 2.404 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 67 TYR HB3 1 68 LEU QD . . 6.730 4.070 3.138 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 67 TYR HB3 1 74 TYR HD2 . . 5.700 3.882 3.747 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 67 TYR HD1 1 68 LEU QD . . 5.540 5.401 4.731 6.196 0.656 12 5 "[ - * 1 + .* 2 . *3]" 1
1043 1 67 TYR HD1 1 74 TYR HE2 . . 5.700 4.844 4.340 5.707 0.007 22 0 "[ . 1 . 2 . 3]" 1
1044 1 67 TYR HD1 1 75 ILE H . . 5.140 4.023 3.513 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 67 TYR HD1 1 75 ILE MD . . 6.100 2.646 1.929 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 67 TYR HD1 1 75 ILE QG . . 4.020 2.639 2.226 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 67 TYR QE 1 68 LEU QD . . 6.730 2.875 2.237 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 67 TYR QE 1 71 PRO HB3 . . 4.880 3.170 2.882 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 67 TYR QE 1 71 PRO QG . . 4.580 4.383 4.158 4.740 0.160 30 0 "[ . 1 . 2 . 3]" 1
1050 1 67 TYR QE 1 72 LYS H . . 5.700 5.370 4.859 5.670 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 67 TYR QE 1 75 ILE MG . . 6.500 4.979 4.514 5.718 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 67 TYR QE 1 78 THR HB . . 5.140 3.691 2.811 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 67 TYR QE 1 78 THR MG . . 6.730 2.190 2.023 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 67 TYR QE 1 80 MET ME . . 6.430 3.467 2.574 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 67 TYR HH 1 68 LEU QD . . 4.850 4.507 3.520 5.988 1.138 12 4 "[ * . * 1 + . - . 3]" 1
1056 1 68 LEU H 1 68 LEU HA . . 3.130 2.891 2.844 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 68 LEU H 1 68 LEU QB . . 3.920 2.190 2.081 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 68 LEU H 1 68 LEU HG . . 4.780 4.196 2.421 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 68 LEU H 1 69 GLU H . . 3.690 2.826 2.704 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 68 LEU H 1 70 ASN H . . 5.400 4.261 4.112 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 68 LEU HA 1 70 ASN H . . 4.350 4.216 3.857 4.394 0.044 15 0 "[ . 1 . 2 . 3]" 1
1062 1 68 LEU HA 1 71 PRO HB2 . . 5.700 5.442 4.796 5.699 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 68 LEU HA 1 71 PRO HB3 . . 3.880 3.709 3.079 3.957 0.077 17 0 "[ . 1 . 2 . 3]" 1
1064 1 68 LEU HA 1 82 PHE HD2 . . 5.700 5.624 4.540 5.840 0.140 1 0 "[ . 1 . 2 . 3]" 1
1065 1 68 LEU QB 1 69 GLU H . . 4.020 2.962 2.508 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 68 LEU QB 1 91 ARG QD . . 6.490 2.634 2.001 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 68 LEU QB 1 91 ARG HE . . 6.590 4.063 3.525 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 68 LEU QD 1 69 GLU H . . 4.680 4.139 3.739 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 68 LEU QD 1 70 ASN H . . 6.730 5.019 4.699 5.504 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 68 LEU QD 1 75 ILE MD . . 7.760 6.028 5.473 6.933 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 68 LEU QD 1 80 MET ME . . 7.390 1.919 1.766 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 68 LEU QD 1 82 PHE HD2 . . 6.730 3.054 2.586 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 68 LEU QD 1 82 PHE QE . . 6.360 3.339 2.630 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 68 LEU QD 1 82 PHE HZ . . 6.730 5.243 4.385 6.383 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 68 LEU QD 1 83 ALA H . . 6.730 4.772 3.441 6.572 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 68 LEU QD 1 83 ALA MB . . 7.760 5.040 3.796 6.018 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 68 LEU QD 1 85 ILE H . . 6.730 3.925 2.643 5.787 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 68 LEU QD 1 85 ILE HB . . 5.440 2.903 2.330 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 68 LEU QD 1 85 ILE QG . . 6.730 4.188 3.223 5.677 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 68 LEU HG 1 91 ARG HE . . 5.700 5.187 4.144 5.935 0.235 28 0 "[ . 1 . 2 . 3]" 1
1081 1 69 GLU H 1 69 GLU HB2 . . 2.660 2.277 2.174 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 69 GLU H 1 69 GLU HB3 . . 3.360 3.494 3.452 3.540 0.180 24 0 "[ . 1 . 2 . 3]" 1
1083 1 69 GLU H 1 69 GLU QG . . 3.720 2.469 2.250 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 69 GLU H 1 70 ASN H . . 3.190 2.705 2.430 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 69 GLU H 1 91 ARG QD . . 4.450 3.548 3.065 4.518 0.068 23 0 "[ . 1 . 2 . 3]" 1
1086 1 69 GLU HA 1 69 GLU QG . . 3.520 2.659 2.151 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 69 GLU HA 1 83 ALA MB . . 6.730 5.534 4.016 6.377 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 69 GLU HA 1 91 ARG QD . . 5.700 4.231 3.364 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 69 GLU HB2 1 70 ASN H . . 4.180 3.021 2.587 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 69 GLU HB2 1 91 ARG QD . . 5.010 4.345 3.841 5.056 0.046 5 0 "[ . 1 . 2 . 3]" 1
1091 1 69 GLU HB3 1 70 ASN H . . 3.650 3.742 3.491 3.889 0.239 22 0 "[ . 1 . 2 . 3]" 1
1092 1 69 GLU QG 1 70 ASN H . . 5.700 4.403 4.156 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 69 GLU QG 1 91 ARG QD . . 5.700 2.311 1.995 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 70 ASN H 1 70 ASN QB . . 3.650 2.867 2.549 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 70 ASN H 1 71 PRO HA . . 4.210 4.020 3.761 4.217 0.007 24 0 "[ . 1 . 2 . 3]" 1
1096 1 70 ASN H 1 71 PRO HD2 . . 5.700 4.152 3.791 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 70 ASN H 1 74 TYR H . . 5.700 5.108 4.798 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 70 ASN HA 1 70 ASN QB . . 2.630 2.492 2.114 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 70 ASN HA 1 72 LYS H . . 5.270 4.304 3.966 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 70 ASN HA 1 73 LYS H . . 5.170 4.515 4.193 5.236 0.066 27 0 "[ . 1 . 2 . 3]" 1
1101 1 70 ASN QB 1 71 PRO HA . . 5.110 4.779 4.550 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 70 ASN QB 1 71 PRO HD2 . . 4.510 4.266 3.756 4.521 0.011 3 0 "[ . 1 . 2 . 3]" 1
1103 1 70 ASN QB 1 72 LYS H . . 5.240 5.096 4.299 5.661 0.421 11 0 "[ . 1 . 2 . 3]" 1
1104 1 70 ASN QB 1 73 LYS H . . 4.810 3.873 2.936 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 70 ASN QB 1 74 TYR QB . . 5.010 3.775 3.214 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 71 PRO HA 1 72 LYS H . . 5.700 3.573 3.502 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 71 PRO HA 1 74 TYR H . . 3.950 3.485 3.251 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 71 PRO HA 1 78 THR MG . . 6.730 4.056 3.290 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 71 PRO HB2 1 80 MET HB3 . . 4.910 3.254 2.608 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 71 PRO HB2 1 80 MET ME . . 6.730 4.621 2.440 5.534 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 71 PRO HB2 1 83 ALA HA . . 5.700 5.125 4.427 5.748 0.048 14 0 "[ . 1 . 2 . 3]" 1
1112 1 71 PRO HB3 1 72 LYS H . . 4.050 3.992 3.800 4.116 0.066 15 0 "[ . 1 . 2 . 3]" 1
1113 1 71 PRO HB3 1 78 THR MG . . 4.770 3.429 2.894 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 71 PRO HB3 1 80 MET ME . . 6.660 3.855 2.449 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 71 PRO HD2 1 72 LYS HB2 . . 4.610 4.568 3.973 5.290 0.680 21 2 "[ . 1 - 2+ . 3]" 1
1116 1 71 PRO HD2 1 80 MET ME . . 6.730 5.220 4.303 5.868 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 71 PRO HD3 1 72 LYS H . . 5.700 4.017 3.860 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 71 PRO HD3 1 83 ALA H . . 5.700 4.891 3.467 6.111 0.411 29 0 "[ . 1 . 2 . 3]" 1
1119 1 71 PRO HD3 1 83 ALA MB . . 6.730 3.481 2.506 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 71 PRO QG 1 72 LYS H . . 4.780 2.153 1.972 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 71 PRO QG 1 72 LYS HB2 . . 5.700 3.967 2.933 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 71 PRO QG 1 72 LYS QE . . 5.700 3.337 2.314 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 71 PRO QG 1 78 THR MG . . 6.130 3.358 2.798 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 71 PRO QG 1 79 LYS HA . . 5.700 6.229 5.690 6.558 0.858 16 18 "[ * *. -* 1 * **+ **2******* *3]" 1
1125 1 71 PRO QG 1 80 MET HB2 . . 5.700 4.632 4.104 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 71 PRO QG 1 80 MET HB3 . . 5.700 3.194 2.697 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 71 PRO QG 1 80 MET ME . . 6.730 3.099 2.077 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 71 PRO QG 1 83 ALA HA . . 3.490 2.515 2.037 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 71 PRO QG 1 83 ALA MB . . 5.670 2.887 2.121 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 72 LYS H 1 72 LYS HB2 . . 2.990 2.433 2.129 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 72 LYS H 1 72 LYS HB3 . . 3.390 3.486 2.830 3.558 0.168 3 0 "[ . 1 . 2 . 3]" 1
1132 1 72 LYS H 1 72 LYS HD2 . . 5.270 4.225 1.824 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 72 LYS H 1 72 LYS QE . . 5.700 3.674 2.527 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 72 LYS H 1 72 LYS QG . . 3.590 2.285 1.781 3.756 0.166 27 0 "[ . 1 . 2 . 3]" 1
1135 1 72 LYS H 1 73 LYS H . . 3.190 2.810 2.498 3.257 0.067 28 0 "[ . 1 . 2 . 3]" 1
1136 1 72 LYS H 1 74 TYR H . . 4.580 4.302 4.013 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 72 LYS H 1 75 ILE H . . 5.700 5.002 4.719 5.839 0.139 20 0 "[ . 1 . 2 . 3]" 1
1138 1 72 LYS HA 1 72 LYS HB2 . . 2.930 3.010 2.709 3.041 0.111 3 0 "[ . 1 . 2 . 3]" 1
1139 1 72 LYS HA 1 72 LYS HB3 . . 2.990 2.484 2.306 3.012 0.022 27 0 "[ . 1 . 2 . 3]" 1
1140 1 72 LYS HA 1 74 TYR H . . 4.640 4.611 4.056 4.769 0.129 20 0 "[ . 1 . 2 . 3]" 1
1141 1 72 LYS HA 1 75 ILE H . . 5.110 3.873 3.327 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 72 LYS HA 1 75 ILE QG . . 4.210 4.207 3.451 4.858 0.648 12 2 "[- . 1 + . 2 . 3]" 1
1143 1 72 LYS HA 1 77 GLY H . . 5.700 4.381 2.891 5.741 0.041 5 0 "[ . 1 . 2 . 3]" 1
1144 1 72 LYS HA 1 77 GLY QA . . 5.700 5.213 3.680 6.263 0.563 5 1 "[ + 1 . 2 . 3]" 1
1145 1 72 LYS HA 1 78 THR HA . . 5.700 5.605 4.763 5.854 0.154 28 0 "[ . 1 . 2 . 3]" 1
1146 1 72 LYS HA 1 78 THR MG . . 4.780 3.497 2.037 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 72 LYS QE 1 78 THR MG . . 6.730 4.408 2.834 6.000 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 72 LYS QE 1 83 ALA H . . 5.700 4.962 2.893 6.377 0.677 11 3 "[ .- 1+ . 2* . 3]" 1
1149 1 72 LYS QG 1 82 PHE H . . 5.700 5.619 4.669 6.415 0.715 27 4 "[ * . 1 .- 2* . + 3]" 1
1150 1 73 LYS H 1 73 LYS HA . . 3.130 2.942 2.894 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 73 LYS H 1 73 LYS QB . . 3.030 2.366 2.123 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 73 LYS H 1 73 LYS HG2 . . 4.940 4.403 3.627 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 73 LYS H 1 74 TYR H . . 2.800 2.401 1.871 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 73 LYS H 1 74 TYR QB . . 4.380 4.159 3.574 4.501 0.121 21 0 "[ . 1 . 2 . 3]" 1
1155 1 73 LYS H 1 75 ILE H . . 5.140 3.919 2.625 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 73 LYS HA 1 74 TYR H . . 4.020 3.604 3.523 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 73 LYS HA 1 74 TYR HA . . 5.270 4.750 4.654 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 73 LYS QB 1 73 LYS QE . . 2.990 2.444 2.021 3.590 0.600 20 4 "[* . 1 -* . + . 3]" 1
1159 1 73 LYS QB 1 74 TYR H . . 3.620 2.523 2.253 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 73 LYS QB 1 74 TYR HA . . 4.450 4.045 3.808 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 73 LYS QB 1 74 TYR QB . . 4.940 3.816 3.416 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 73 LYS HG2 1 74 TYR HA . . 5.630 4.901 3.145 6.516 0.886 2 5 "[ + . 1 * . *2 - . *3]" 1
1163 1 74 TYR H 1 74 TYR QB . . 3.290 2.241 2.175 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 74 TYR H 1 75 ILE H . . 3.030 2.817 2.656 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 74 TYR HA 1 75 ILE HA . . 4.510 4.540 4.396 4.597 0.087 2 0 "[ . 1 . 2 . 3]" 1
1166 1 74 TYR QB 1 75 ILE H . . 3.550 2.699 2.492 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 74 TYR HD2 1 75 ILE MG . . 5.010 3.070 2.429 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 75 ILE H 1 75 ILE HA . . 3.090 2.952 2.915 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 75 ILE H 1 75 ILE HB . . 4.020 3.837 3.691 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 75 ILE H 1 75 ILE MD . . 4.680 3.711 2.148 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 75 ILE H 1 75 ILE QG . . 3.790 2.421 2.210 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 75 ILE HA 1 76 PRO HD2 . . 4.310 2.407 2.063 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 75 ILE HA 1 76 PRO HD3 . . 4.880 2.337 2.100 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 75 ILE HB 1 76 PRO HD2 . . 3.590 2.765 2.104 3.677 0.087 17 0 "[ . 1 . 2 . 3]" 1
1175 1 75 ILE MD 1 76 PRO HD2 . . 6.100 4.826 4.030 5.650 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 75 ILE MD 1 78 THR HG1 . . 4.290 3.282 2.107 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 75 ILE QG 1 76 PRO HA . . 5.700 5.023 4.583 5.423 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 75 ILE QG 1 76 PRO HG2 . . 5.700 5.861 5.026 6.566 0.866 3 9 "[* +*. 1 . ** 2 * * *-]" 1
1179 1 75 ILE QG 1 78 THR H . . 5.270 4.470 3.267 5.768 0.498 4 0 "[ . 1 . 2 . 3]" 1
1180 1 75 ILE MG 1 76 PRO HD2 . . 6.730 3.069 2.640 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 75 ILE MG 1 78 THR HG1 . . 6.730 5.629 4.548 6.343 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 76 PRO HA 1 76 PRO HB3 . . 2.660 2.315 2.271 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 77 GLY H 1 78 THR H . . 4.380 3.140 1.771 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 77 GLY H 1 78 THR MG . . 6.730 5.329 2.664 6.259 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 77 GLY QA 1 78 THR HA . . 3.980 4.089 3.910 4.249 0.269 17 0 "[ . 1 . 2 . 3]" 1
1186 1 77 GLY QA 1 78 THR HB . . 5.140 4.605 4.068 5.162 0.022 3 0 "[ . 1 . 2 . 3]" 1
1187 1 78 THR H 1 78 THR HB . . 3.490 2.722 2.057 3.561 0.071 7 0 "[ . 1 . 2 . 3]" 1
1188 1 78 THR H 1 78 THR HG1 . . 4.970 3.783 2.840 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 78 THR H 1 79 LYS H . . 5.340 3.591 2.039 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 78 THR HA 1 79 LYS HB3 . . 5.700 5.316 4.004 5.863 0.163 30 0 "[ . 1 . 2 . 3]" 1
1191 1 78 THR HA 1 80 MET H . . 5.700 3.959 3.322 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 78 THR HG1 1 79 LYS H . . 5.700 4.272 2.864 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 78 THR HG1 1 80 MET HB2 . . 5.700 5.001 3.399 5.777 0.077 5 0 "[ . 1 . 2 . 3]" 1
1194 1 78 THR HG1 1 80 MET HB3 . . 5.700 5.166 3.536 5.771 0.071 1 0 "[ . 1 . 2 . 3]" 1
1195 1 78 THR MG 1 79 LYS H . . 6.730 3.125 2.107 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 78 THR MG 1 79 LYS HA . . 5.700 4.123 3.460 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 78 THR MG 1 80 MET HA . . 6.730 4.261 3.629 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 78 THR MG 1 80 MET HB2 . . 5.940 2.931 2.207 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 78 THR MG 1 80 MET HB3 . . 6.730 2.498 2.064 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 78 THR MG 1 80 MET ME . . 7.760 4.754 2.704 5.726 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 78 THR MG 1 80 MET HG2 . . 6.730 4.412 3.885 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 78 THR MG 1 80 MET HG3 . . 6.730 4.835 4.246 5.968 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 79 LYS H 1 79 LYS HB2 . . 4.250 2.886 2.183 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 79 LYS H 1 79 LYS QD . . 4.350 4.014 2.248 4.724 0.374 20 0 "[ . 1 . 2 . 3]" 1
1205 1 79 LYS H 1 79 LYS QE . . 5.540 4.835 2.240 6.176 0.636 26 1 "[ . 1 . 2 .+ 3]" 1
1206 1 79 LYS H 1 79 LYS HG2 . . 4.510 3.817 2.125 5.165 0.655 19 3 "[ . 1 . +2 - . * 3]" 1
1207 1 79 LYS H 1 79 LYS HG3 . . 5.440 3.967 2.306 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 79 LYS H 1 80 MET H . . 4.510 3.049 2.017 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 80 MET H 1 80 MET HB2 . . 3.590 2.598 2.416 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 80 MET H 1 80 MET HB3 . . 3.360 2.713 2.299 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 80 MET H 1 80 MET HG2 . . 5.700 4.567 4.338 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 80 MET H 1 80 MET HG3 . . 5.700 4.441 4.328 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 80 MET H 1 81 ILE H . . 4.970 4.063 3.632 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 80 MET HA 1 80 MET ME . . 5.870 4.704 4.498 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 80 MET HA 1 80 MET HG3 . . 4.020 2.473 2.354 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 80 MET HA 1 81 ILE H . . 2.930 2.196 2.102 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 80 MET HB2 1 81 ILE H . . 4.970 4.467 4.218 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 80 MET HB3 1 81 ILE H . . 4.680 4.539 4.471 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 80 MET ME 1 82 PHE H . . 6.730 4.274 3.749 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 80 MET ME 1 82 PHE HB2 . . 5.010 3.542 2.735 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 80 MET ME 1 82 PHE HB3 . . 6.130 2.434 2.074 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 80 MET ME 1 82 PHE HD2 . . 4.650 2.615 2.224 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 80 MET ME 1 82 PHE QE . . 6.400 4.366 3.826 5.721 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 80 MET HG2 1 81 ILE H . . 5.700 4.238 3.784 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 80 MET HG2 1 81 ILE HB . . 6.500 6.126 5.543 6.524 0.024 17 0 "[ . 1 . 2 . 3]" 1
1226 1 80 MET HG2 1 82 PHE H . . 5.700 3.183 2.538 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 80 MET HG2 1 82 PHE HB2 . . 5.700 3.924 3.264 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 80 MET HG2 1 82 PHE HB3 . . 5.170 2.914 2.538 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 80 MET HG2 1 82 PHE HD2 . . 5.700 4.546 3.894 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 80 MET HG3 1 81 ILE H . . 5.370 3.694 3.183 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 80 MET HG3 1 81 ILE HA . . 5.700 5.258 5.007 5.657 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 80 MET HG3 1 82 PHE H . . 5.700 4.116 3.014 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 80 MET HG3 1 82 PHE HB2 . . 5.170 3.974 3.441 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 80 MET HG3 1 82 PHE HB3 . . 5.700 3.549 2.844 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 80 MET HG3 1 82 PHE HD2 . . 5.700 5.117 4.459 5.701 0.001 28 0 "[ . 1 . 2 . 3]" 1
1236 1 81 ILE H 1 81 ILE HB . . 3.520 2.651 2.320 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 81 ILE H 1 82 PHE H . . 4.380 3.739 2.574 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 81 ILE HA 1 82 PHE H . . 2.760 2.389 2.213 3.125 0.365 16 0 "[ . 1 . 2 . 3]" 1
1239 1 82 PHE H 1 82 PHE HB2 . . 3.820 3.366 2.501 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 82 PHE H 1 82 PHE HB3 . . 3.390 3.107 2.795 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 82 PHE H 1 82 PHE HD2 . . 6.000 5.244 4.927 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 82 PHE H 1 83 ALA H . . 5.700 2.577 1.797 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 82 PHE H 1 83 ALA MB . . 6.730 3.569 2.830 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 82 PHE HA 1 82 PHE HB3 . . 2.960 3.025 3.010 3.036 0.076 14 0 "[ . 1 . 2 . 3]" 1
1245 1 82 PHE HA 1 82 PHE HD2 . . 4.880 4.403 3.838 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 82 PHE HB2 1 82 PHE HD2 . . 3.160 3.322 3.207 3.482 0.322 15 0 "[ . 1 . 2 . 3]" 1
1247 1 82 PHE HB3 1 82 PHE HD2 . . 3.260 2.286 2.250 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 82 PHE HD2 1 83 ALA H . . 6.000 4.103 2.891 5.715 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 82 PHE HD2 1 83 ALA HA . . 6.500 4.943 3.630 6.256 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 82 PHE HD2 1 85 ILE H . . 8.000 5.525 3.860 6.667 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 82 PHE HD2 1 85 ILE HA . . 5.540 4.539 3.446 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 82 PHE QE 1 84 GLY QA . . 5.700 4.890 3.875 5.535 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 82 PHE QE 1 85 ILE HA . . 4.640 2.642 2.131 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 82 PHE QE 1 85 ILE QG . . 3.950 2.823 2.263 4.256 0.306 9 0 "[ . 1 . 2 . 3]" 1
1255 1 82 PHE HZ 1 85 ILE QG . . 3.420 2.986 2.287 4.110 0.690 9 1 "[ . +1 . 2 . 3]" 1
1256 1 83 ALA H 1 84 GLY H . . 5.700 3.708 2.782 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 83 ALA MB 1 84 GLY QA . . 4.580 3.856 3.369 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 84 GLY QA 1 85 ILE H . . 3.490 2.263 2.142 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 84 GLY QA 1 85 ILE HA . . 4.280 4.033 3.797 4.463 0.183 13 0 "[ . 1 . 2 . 3]" 1
1260 1 85 ILE H 1 85 ILE HB . . 3.520 2.787 2.283 3.540 0.020 17 0 "[ . 1 . 2 . 3]" 1
1261 1 85 ILE H 1 85 ILE QG . . 4.940 4.095 3.945 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 85 ILE H 1 91 ARG QB . . 6.590 4.928 3.790 5.990 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 85 ILE H 1 91 ARG QD . . 5.700 5.365 3.976 6.411 0.711 21 4 "[ . 1 . *+ .* -]" 1
1264 1 85 ILE HB 1 85 ILE MD . . 3.430 2.308 2.220 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 85 ILE MD 1 91 ARG H . . 5.570 3.948 3.012 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 85 ILE MD 1 91 ARG HA . . 4.190 3.216 2.476 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 85 ILE MD 1 94 LEU QD . . 5.810 2.036 1.809 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 85 ILE QG 1 86 LYS QB . . 3.850 3.436 2.438 4.566 0.716 11 2 "[ .- 1+ . 2 . 3]" 1
1269 1 85 ILE QG 1 87 LYS QE . . 5.700 5.938 3.401 6.922 1.222 10 15 "[ * ** ***+ *. * * *- * * *3]" 1
1270 1 85 ILE QG 1 90 GLU H . . 5.670 4.994 4.009 6.181 0.511 25 1 "[ . 1 . 2 + 3]" 1
1271 1 85 ILE QG 1 90 GLU HA . . 5.700 5.078 4.131 6.018 0.318 25 0 "[ . 1 . 2 . 3]" 1
1272 1 85 ILE QG 1 90 GLU HB2 . . 4.380 2.764 2.214 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 85 ILE QG 1 90 GLU HB3 . . 3.850 3.105 2.449 4.210 0.360 29 0 "[ . 1 . 2 . 3]" 1
1274 1 85 ILE QG 1 93 ASP QB . . 5.700 6.547 5.981 6.969 1.269 29 26 "[ * ******************- *** *+*]" 1
1275 1 85 ILE MG 1 86 LYS H . . 6.730 2.794 1.699 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 85 ILE MG 1 87 LYS QE . . 6.730 5.730 3.863 6.747 0.017 20 0 "[ . 1 . 2 . 3]" 1
1277 1 85 ILE MG 1 90 GLU H . . 6.030 4.169 3.097 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 85 ILE MG 1 91 ARG QB . . 6.130 2.242 2.005 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 85 ILE MG 1 91 ARG QD . . 6.730 3.607 2.494 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 85 ILE MG 1 91 ARG HE . . 6.730 4.875 4.070 5.745 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 86 LYS H 1 86 LYS HD3 . . 5.540 5.195 3.860 6.149 0.609 14 2 "[ . 1 +. 2 - 3]" 1
1282 1 86 LYS H 1 86 LYS QG . . 3.590 3.312 1.939 4.324 0.734 24 3 "[ . 1 * . - +. 3]" 1
1283 1 86 LYS H 1 87 LYS H . . 4.580 3.306 2.177 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 86 LYS HA 1 87 LYS HA . . 4.740 4.589 4.131 4.829 0.089 24 0 "[ . 1 . 2 . 3]" 1
1285 1 86 LYS HD3 1 86 LYS QG . . 2.400 2.356 2.128 2.510 0.110 7 0 "[ . 1 . 2 . 3]" 1
1286 1 87 LYS H 1 88 LYS H . . 4.610 3.893 1.794 4.656 0.046 25 0 "[ . 1 . 2 . 3]" 1
1287 1 87 LYS QB 1 90 GLU H . . 5.340 3.694 2.061 5.878 0.538 20 1 "[ . 1 . + . 3]" 1
1288 1 87 LYS QB 1 90 GLU QG . . 4.640 3.612 2.078 5.772 1.132 20 3 "[ . -*1 . + . 3]" 1
1289 1 87 LYS QG 1 89 THR H . . 4.880 4.210 1.813 5.624 0.744 14 5 "[ . * 1* +. - 2 . * 3]" 1
1290 1 88 LYS H 1 88 LYS QG . . 4.380 3.198 2.211 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 88 LYS H 1 89 THR H . . 4.310 2.807 2.110 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 88 LYS H 1 91 ARG H . . 5.700 4.722 3.915 5.689 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 88 LYS HA 1 89 THR H . . 3.920 3.510 2.290 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 88 LYS HA 1 90 GLU H . . 4.580 4.316 3.550 4.756 0.176 30 0 "[ . 1 . 2 . 3]" 1
1295 1 88 LYS HA 1 91 ARG H . . 3.880 3.319 2.531 3.892 0.012 30 0 "[ . 1 . 2 . 3]" 1
1296 1 88 LYS HA 1 91 ARG QB . . 4.410 2.833 1.987 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 88 LYS HA 1 92 GLU H . . 5.700 4.635 3.887 5.698 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 88 LYS HA 1 92 GLU QG . . 5.170 4.783 3.445 5.873 0.703 27 2 "[ . 1 . 2 . +- 3]" 1
1299 1 88 LYS QB 1 90 GLU H . . 6.260 5.099 4.624 5.847 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 88 LYS QB 1 92 GLU QG . . 4.410 4.134 3.302 5.014 0.604 27 2 "[ . 1- . 2 . + 3]" 1
1301 1 88 LYS QG 1 92 GLU H . . 5.700 5.520 3.746 6.374 0.674 14 7 "[ *** 1 * +.- 2 . *]" 1
1302 1 89 THR H 1 89 THR HB . . 3.320 2.762 2.324 3.340 0.020 20 0 "[ . 1 . 2 . 3]" 1
1303 1 89 THR H 1 89 THR MG . . 4.550 3.726 3.284 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 89 THR H 1 90 GLU H . . 4.250 2.879 2.290 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 89 THR H 1 91 ARG H . . 4.380 4.123 2.560 4.471 0.091 30 0 "[ . 1 . 2 . 3]" 1
1306 1 89 THR H 1 92 GLU QG . . 4.610 4.629 3.467 5.399 0.789 22 3 "[ . 1 *. 2 +- . 3]" 1
1307 1 89 THR HA 1 89 THR MG . . 3.460 2.341 2.176 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 89 THR HA 1 90 GLU H . . 4.680 3.583 3.493 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 89 THR HA 1 90 GLU HA . . 5.700 4.863 4.726 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 89 THR HA 1 91 ARG H . . 5.210 4.081 3.460 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 89 THR HA 1 92 GLU H . . 4.810 3.383 2.625 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 89 THR HA 1 92 GLU QB . . 5.100 3.397 2.118 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 89 THR HA 1 92 GLU QG . . 5.700 2.693 2.092 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 89 THR HA 1 93 ASP H . . 5.070 4.125 3.656 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 89 THR HA 1 93 ASP QB . . 5.700 5.251 4.317 6.362 0.662 30 1 "[ . 1 . 2 . +]" 1
1316 1 89 THR MG 1 90 GLU H . . 6.730 3.759 3.134 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 90 GLU H 1 90 GLU HB2 . . 3.130 2.595 2.366 3.445 0.315 29 0 "[ . 1 . 2 . 3]" 1
1318 1 90 GLU H 1 90 GLU HB3 . . 3.520 3.509 2.751 3.618 0.098 24 0 "[ . 1 . 2 . 3]" 1
1319 1 90 GLU H 1 90 GLU QG . . 3.620 2.378 1.853 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 90 GLU H 1 91 ARG H . . 3.460 2.746 2.386 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 90 GLU H 1 92 GLU H . . 5.040 4.336 3.988 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 90 GLU HA 1 90 GLU HB3 . . 2.930 2.444 2.272 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 90 GLU HA 1 90 GLU QG . . 2.800 2.712 2.259 3.504 0.704 29 2 "[ . 1- . 2 . +3]" 1
1324 1 90 GLU HA 1 91 ARG H . . 4.050 3.529 3.377 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 90 GLU HA 1 92 GLU H . . 5.010 4.362 3.570 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 90 GLU HA 1 93 ASP H . . 4.180 3.341 2.840 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 90 GLU HA 1 93 ASP QB . . 3.290 2.513 1.967 3.695 0.405 17 0 "[ . 1 . 2 . 3]" 1
1328 1 90 GLU QG 1 94 LEU QD . . 6.730 4.656 2.835 5.895 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 91 ARG H 1 91 ARG QD . . 5.700 4.810 4.457 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 91 ARG H 1 91 ARG QH1 . . 8.000 5.622 4.088 7.100 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 91 ARG H 1 92 GLU H . . 3.620 2.631 2.339 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 91 ARG H 1 93 ASP H . . 4.350 4.053 3.672 4.351 0.001 7 0 "[ . 1 . 2 . 3]" 1
1333 1 91 ARG HA 1 92 GLU H . . 3.690 3.525 3.251 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 91 ARG HA 1 93 ASP H . . 4.580 4.540 4.030 4.680 0.100 9 0 "[ . 1 . 2 . 3]" 1
1335 1 91 ARG HA 1 94 LEU H . . 5.540 3.690 2.763 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 91 ARG HA 1 94 LEU QB . . 4.780 2.767 1.933 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 91 ARG HA 1 95 ILE H . . 4.810 4.317 3.596 4.867 0.057 11 0 "[ . 1 . 2 . 3]" 1
1338 1 91 ARG QD 1 92 GLU H . . 5.700 4.991 4.307 5.456 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 91 ARG QD 1 92 GLU QG . . 5.700 5.467 4.329 6.088 0.388 26 0 "[ . 1 . 2 . 3]" 1
1340 1 91 ARG QD 1 95 ILE HB . . 5.700 5.937 4.812 6.476 0.776 16 8 "[* *. 1* **+ 2 - . * 3]" 1
1341 1 91 ARG HE 1 92 GLU QG . . 5.270 5.323 3.531 6.093 0.823 28 7 "[* . -** * 2 .* + 3]" 1
1342 1 91 ARG HE 1 95 ILE HA . . 5.700 5.429 4.516 5.942 0.242 16 0 "[ . 1 . 2 . 3]" 1
1343 1 91 ARG HE 1 95 ILE HB . . 4.810 4.300 3.367 4.840 0.030 28 0 "[ . 1 . 2 . 3]" 1
1344 1 91 ARG QH1 1 94 LEU QB . . 7.460 4.991 2.809 7.151 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 92 GLU H 1 92 GLU QG . . 3.060 2.219 1.856 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 92 GLU H 1 94 LEU H . . 5.140 4.257 3.015 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 92 GLU H 1 95 ILE H . . 5.470 4.847 3.837 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 92 GLU HA 1 93 ASP H . . 3.850 3.583 3.409 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 92 GLU HA 1 94 LEU H . . 4.880 4.689 3.631 4.919 0.039 28 0 "[ . 1 . 2 . 3]" 1
1350 1 92 GLU HA 1 95 ILE H . . 4.120 3.511 1.784 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 92 GLU HA 1 95 ILE HB . . 3.720 2.855 2.026 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 92 GLU HA 1 96 ALA H . . 5.540 4.092 3.207 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 92 GLU QG 1 93 ASP H . . 3.160 3.528 2.198 4.099 0.939 29 22 "[ **** **** -*** * *2 **** **+*]" 1
1354 1 93 ASP H 1 93 ASP QB . . 3.260 2.350 1.994 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 93 ASP H 1 94 LEU H . . 3.880 2.852 2.524 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 93 ASP H 1 95 ILE H . . 4.880 4.272 3.969 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 93 ASP HA 1 94 LEU H . . 3.620 3.584 3.493 3.628 0.008 18 0 "[ . 1 . 2 . 3]" 1
1358 1 93 ASP HA 1 95 ILE H . . 5.210 4.468 4.176 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 93 ASP HA 1 96 ALA H . . 5.110 3.487 3.171 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 93 ASP HA 1 96 ALA MB . . 4.220 2.558 2.303 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 93 ASP QB 1 94 LEU HA . . 4.680 4.148 3.850 4.988 0.308 29 0 "[ . 1 . 2 . 3]" 1
1362 1 93 ASP QB 1 94 LEU QB . . 6.590 4.230 3.701 5.209 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 93 ASP QB 1 96 ALA H . . 5.400 4.954 4.780 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 93 ASP QB 1 96 ALA MB . . 6.460 4.109 3.528 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 94 LEU H 1 94 LEU HG . . 4.840 4.245 3.722 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 94 LEU H 1 95 ILE H . . 3.720 2.916 2.651 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 94 LEU H 1 96 ALA H . . 4.680 4.351 4.169 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 94 LEU HA 1 94 LEU QD . . 4.220 2.210 2.071 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 94 LEU HA 1 94 LEU HG . . 3.820 2.724 2.228 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 94 LEU HA 1 95 ILE H . . 4.540 3.561 3.497 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 94 LEU HA 1 96 ALA H . . 4.580 4.560 4.412 4.656 0.076 27 0 "[ . 1 . 2 . 3]" 1
1372 1 94 LEU HA 1 97 TYR H . . 3.390 3.454 3.324 3.535 0.145 23 0 "[ . 1 . 2 . 3]" 1
1373 1 94 LEU HA 1 97 TYR QB . . 3.850 2.350 2.086 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 94 LEU HA 1 98 LEU H . . 4.970 3.728 3.453 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 94 LEU HA 1 98 LEU QB . . 5.930 5.002 4.622 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 94 LEU QB 1 95 ILE H . . 4.480 2.618 2.205 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 94 LEU QB 1 97 TYR H . . 5.960 4.969 4.807 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 94 LEU QB 1 98 LEU MD1 . . 6.030 3.403 2.522 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 94 LEU QD 1 95 ILE H . . 5.770 3.964 3.387 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 94 LEU QD 1 96 ALA H . . 6.200 5.402 5.167 5.501 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 94 LEU QD 1 98 LEU HG . . 6.730 4.217 2.769 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 94 LEU HG 1 95 ILE H . . 5.040 4.679 3.372 5.160 0.120 21 0 "[ . 1 . 2 . 3]" 1
1383 1 95 ILE H 1 95 ILE MD . . 4.750 3.534 2.925 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 95 ILE H 1 95 ILE HG12 . . 4.080 2.659 2.248 4.409 0.329 3 0 "[ . 1 . 2 . 3]" 1
1385 1 95 ILE H 1 96 ALA H . . 3.520 2.676 2.497 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 95 ILE H 1 96 ALA HA . . 5.300 5.320 5.214 5.378 0.078 16 0 "[ . 1 . 2 . 3]" 1
1387 1 95 ILE H 1 97 TYR H . . 4.880 4.166 3.806 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 95 ILE HA 1 96 ALA H . . 4.380 3.591 3.554 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 95 ILE HA 1 97 TYR H . . 4.910 4.613 4.289 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 95 ILE HA 1 98 LEU H . . 4.510 3.619 3.343 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 95 ILE HA 1 98 LEU QB . . 4.710 3.056 2.564 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 95 ILE HA 1 98 LEU MD1 . . 5.370 3.613 3.049 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 95 ILE HA 1 99 LYS H . . 4.180 3.775 3.369 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 95 ILE MG 1 96 ALA H . . 6.690 3.242 2.595 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 95 ILE MG 1 99 LYS H . . 6.730 4.058 3.732 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 96 ALA H 1 97 TYR H . . 3.920 2.787 2.660 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 96 ALA H 1 98 LEU H . . 4.780 4.518 4.363 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 96 ALA H 1 99 LYS H . . 5.700 4.794 4.586 4.948 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 96 ALA HA 1 97 TYR H . . 3.550 3.580 3.542 3.605 0.055 23 0 "[ . 1 . 2 . 3]" 1
1400 1 96 ALA HA 1 98 LEU H . . 5.700 4.915 4.645 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 96 ALA HA 1 99 LYS H . . 4.210 3.752 3.271 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 96 ALA HA 1 99 LYS HB2 . . 4.510 3.632 2.201 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 96 ALA HA 1 99 LYS HB3 . . 3.060 2.917 2.207 3.327 0.267 27 0 "[ . 1 . 2 . 3]" 1
1404 1 96 ALA HA 1 100 LYS H . . 5.700 4.553 3.889 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 96 ALA HA 1 100 LYS QG . . 5.700 5.008 3.962 6.338 0.638 9 4 "[* . +1 . 2 - * 3]" 1
1406 1 96 ALA MB 1 97 TYR H . . 4.550 2.521 2.345 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 96 ALA MB 1 97 TYR QB . . 6.730 3.887 3.713 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 96 ALA MB 1 100 LYS QB . . 7.450 5.184 4.317 5.996 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 97 TYR H 1 97 TYR QB . . 3.260 2.097 2.037 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 97 TYR H 1 98 LEU H . . 3.360 3.019 2.882 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 97 TYR HA 1 98 LEU H . . 4.210 3.634 3.590 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 97 TYR HA 1 99 LYS H . . 4.580 4.592 4.393 4.679 0.099 11 0 "[ . 1 . 2 . 3]" 1
1413 1 97 TYR HA 1 100 LYS H . . 5.600 3.747 3.497 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 97 TYR HA 1 100 LYS QB . . 4.910 3.345 2.615 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 97 TYR HA 1 101 ALA H . . 5.440 4.164 3.613 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 97 TYR QB 1 98 LEU H . . 3.980 2.660 2.396 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 97 TYR QD 1 98 LEU H . . 5.700 3.057 2.768 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
1418 1 97 TYR QD 1 98 LEU QB . . 6.590 4.214 3.899 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 97 TYR QD 1 98 LEU MD1 . . 6.660 3.400 2.470 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 97 TYR QD 1 98 LEU MD2 . . 6.730 3.531 3.264 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 97 TYR QD 1 98 LEU HG . . 5.700 2.440 2.273 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 97 TYR QD 1 101 ALA MB . . 6.730 3.164 2.368 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 97 TYR HE1 1 98 LEU MD1 . . 6.730 6.273 6.076 6.373 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 97 TYR HE1 1 98 LEU MD2 . . 6.730 4.264 3.847 5.772 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 97 TYR HE1 1 101 ALA MB . . 6.690 2.790 2.223 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 97 TYR HE2 1 98 LEU MD1 . . 6.630 3.287 2.808 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 98 LEU H 1 98 LEU MD1 . . 5.180 3.389 2.877 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 98 LEU H 1 98 LEU HG . . 3.620 2.424 2.222 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 98 LEU H 1 99 LYS H . . 3.620 2.807 2.696 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 98 LEU H 1 99 LYS HA . . 5.630 5.432 5.335 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
1431 1 98 LEU H 1 100 LYS H . . 4.610 4.239 4.053 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 98 LEU H 1 101 ALA H . . 5.700 4.679 4.451 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 98 LEU HA 1 98 LEU MD2 . . 4.450 2.166 2.091 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 98 LEU HA 1 99 LYS H . . 4.120 3.554 3.473 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 98 LEU HA 1 100 LYS H . . 4.710 3.888 3.383 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 98 LEU HA 1 101 ALA H . . 4.280 2.960 2.570 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 98 LEU HA 1 101 ALA MB . . 5.610 2.180 2.024 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 98 LEU HA 1 102 THR H . . 4.740 3.977 3.366 4.803 0.063 2 0 "[ . 1 . 2 . 3]" 1
1439 1 98 LEU HA 1 102 THR MG . . 5.900 4.562 3.133 5.508 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 98 LEU QB 1 99 LYS H . . 4.540 2.894 2.692 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
1441 1 98 LEU QB 1 101 ALA H . . 6.590 4.713 4.210 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 98 LEU QB 1 102 THR H . . 5.670 4.814 4.231 5.593 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 98 LEU QB 1 102 THR MG . . 7.420 4.223 2.740 5.427 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 98 LEU MD1 1 99 LYS H . . 6.330 4.780 4.495 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 98 LEU HG 1 101 ALA H . . 5.700 5.489 4.793 5.780 0.080 3 0 "[ . 1 . 2 . 3]" 1
1446 1 99 LYS H 1 99 LYS HB2 . . 3.060 2.406 2.065 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 99 LYS H 1 99 LYS HB3 . . 3.360 2.630 2.309 3.407 0.047 27 0 "[ . 1 . 2 . 3]" 1
1448 1 99 LYS H 1 99 LYS QE . . 5.700 5.206 4.060 6.093 0.393 11 0 "[ . 1 . 2 . 3]" 1
1449 1 99 LYS H 1 100 LYS H . . 3.390 2.753 2.620 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 99 LYS H 1 101 ALA H . . 5.600 4.302 4.056 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 99 LYS H 1 101 ALA MB . . 6.730 4.895 4.601 5.390 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 99 LYS HA 1 99 LYS HB2 . . 2.930 2.542 2.391 2.978 0.048 27 0 "[ . 1 . 2 . 3]" 1
1453 1 99 LYS HA 1 99 LYS QG . . 3.850 2.713 2.205 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 99 LYS HA 1 100 LYS H . . 3.390 3.465 3.408 3.535 0.145 5 0 "[ . 1 . 2 . 3]" 1
1455 1 99 LYS HA 1 102 THR H . . 4.740 4.139 3.531 4.817 0.077 19 0 "[ . 1 . 2 . 3]" 1
1456 1 99 LYS HA 1 102 THR MG . . 6.730 3.088 2.160 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 99 LYS HB2 1 99 LYS QG . . 2.600 2.326 2.094 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 99 LYS HB3 1 100 LYS QB . . 5.700 4.686 4.035 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 99 LYS HB3 1 101 ALA H . . 5.600 5.435 4.969 5.651 0.051 22 0 "[ . 1 . 2 . 3]" 1
1460 1 99 LYS QE 1 102 THR MG . . 6.730 4.746 2.085 6.796 0.066 10 0 "[ . 1 . 2 . 3]" 1
1461 1 99 LYS QG 1 100 LYS H . . 4.740 4.119 2.956 4.884 0.144 1 0 "[ . 1 . 2 . 3]" 1
1462 1 99 LYS QG 1 100 LYS QD . . 5.700 5.108 3.210 6.602 0.902 3 3 "[ + . 1 * 2 . -3]" 1
1463 1 100 LYS H 1 100 LYS QD . . 4.940 4.069 2.241 4.941 0.001 19 0 "[ . 1 . 2 . 3]" 1
1464 1 100 LYS H 1 100 LYS QE . . 5.700 4.966 3.180 6.223 0.523 25 1 "[ . 1 . 2 + 3]" 1
1465 1 100 LYS H 1 100 LYS QG . . 4.350 3.117 2.328 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 100 LYS H 1 101 ALA H . . 3.130 2.519 2.141 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 100 LYS H 1 101 ALA MB . . 5.470 4.132 3.754 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 100 LYS H 1 102 THR H . . 5.370 4.112 3.794 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 100 LYS H 1 103 ASN QD . . 5.700 4.413 3.942 6.083 0.383 7 0 "[ . 1 . 2 . 3]" 1
1470 1 100 LYS HA 1 100 LYS QD . . 4.380 2.693 2.012 4.563 0.183 3 0 "[ . 1 . 2 . 3]" 1
1471 1 100 LYS HA 1 100 LYS QG . . 3.820 2.686 2.229 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 100 LYS HA 1 101 ALA H . . 4.180 3.532 2.861 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 100 LYS HA 1 102 THR H . . 4.510 3.975 2.946 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 100 LYS HA 1 103 ASN H . . 3.950 3.825 3.399 4.122 0.172 19 0 "[ . 1 . 2 . 3]" 1
1475 1 100 LYS HA 1 103 ASN QB . . 4.680 4.261 2.430 4.961 0.281 6 0 "[ . 1 . 2 . 3]" 1
1476 1 100 LYS HA 1 103 ASN QD . . 5.040 2.599 2.004 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 100 LYS HA 1 104 GLU H . . 5.700 4.075 3.002 5.684 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 100 LYS QB 1 101 ALA H . . 4.380 2.778 2.342 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 100 LYS QB 1 103 ASN QD . . 6.590 4.411 3.646 5.423 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 100 LYS QB 1 104 GLU QB . . 3.880 3.028 2.187 4.519 0.639 25 1 "[ . 1 . 2 + 3]" 1
1481 1 100 LYS QB 1 104 GLU QG . . 5.770 4.240 2.202 6.184 0.414 25 0 "[ . 1 . 2 . 3]" 1
1482 1 100 LYS QD 1 100 LYS QG . . 2.400 2.067 1.970 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 100 LYS QD 1 101 ALA H . . 5.700 4.795 2.361 6.066 0.366 19 0 "[ . 1 . 2 . 3]" 1
1484 1 100 LYS QG 1 101 ALA H . . 5.700 4.318 3.316 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 101 ALA H 1 102 THR H . . 3.880 2.912 2.069 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 101 ALA H 1 103 ASN H . . 4.780 4.343 3.885 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 101 ALA H 1 104 GLU H . . 5.700 4.837 4.310 5.721 0.021 17 0 "[ . 1 . 2 . 3]" 1
1488 1 101 ALA HA 1 102 THR H . . 3.420 3.413 2.768 3.512 0.092 10 0 "[ . 1 . 2 . 3]" 1
1489 1 101 ALA HA 1 102 THR MG . . 6.730 5.059 4.641 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 101 ALA HA 1 103 ASN H . . 4.510 3.501 3.207 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 101 ALA HA 1 104 GLU H . . 5.470 3.406 2.824 5.477 0.007 2 0 "[ . 1 . 2 . 3]" 1
1492 1 101 ALA HA 1 104 GLU QB . . 3.620 3.977 2.234 4.522 0.902 20 17 "[ * ** -1****.*** +* **. * *]" 1
1493 1 101 ALA MB 1 102 THR H . . 5.140 3.067 2.698 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 101 ALA MB 1 102 THR MG . . 6.670 4.134 3.158 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
1495 1 102 THR H 1 102 THR HB . . 4.020 3.020 2.239 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 102 THR H 1 103 ASN H . . 3.090 2.625 1.943 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 102 THR H 1 104 GLU H . . 5.070 4.152 3.199 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 102 THR MG 1 103 ASN QB . . 6.730 3.872 2.416 5.391 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 103 ASN H 1 103 ASN QB . . 3.590 3.047 2.580 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 103 ASN H 1 103 ASN QD . . 5.700 3.093 2.120 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 103 ASN H 1 104 GLU H . . 2.960 2.036 1.823 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 103 ASN HA 1 104 GLU H . . 4.120 3.407 2.629 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 103 ASN HA 1 104 GLU HA . . 5.700 4.723 4.186 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 103 ASN QB 1 104 GLU H . . 4.880 3.564 2.344 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 103 ASN QD 1 104 GLU QG . . 5.700 5.337 2.559 6.689 0.989 20 5 "[ * . 1 - . +* . *]" 1
1506 1 104 GLU H 1 104 GLU QG . . 4.310 3.274 1.868 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 104 GLU HA 1 104 GLU QB . . 2.800 2.347 2.072 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 8:01:42 PM GMT (wattos1)