NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446112 |
2kla   |
16389 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kla
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 708
_Distance_constraint_stats_list.Viol_count 6143
_Distance_constraint_stats_list.Viol_total 351783.063
_Distance_constraint_stats_list.Viol_max 11.350
_Distance_constraint_stats_list.Viol_rms 2.1519
_Distance_constraint_stats_list.Viol_average_all_restraints 1.2422
_Distance_constraint_stats_list.Viol_average_violations_only 2.8633
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ILE 244.962 5.653 15 20 [***-**********+*****]
1 5 ASN 94.263 5.125 20 20 [*********-*********+]
1 6 MET 272.882 6.800 12 20 [***-*******+********]
1 7 LYS 1095.380 8.123 20 20 [******************-+]
1 8 VAL 257.983 7.091 20 20 [**************-****+]
1 9 ALA 694.831 7.059 1 20 [+***************-***]
1 10 ILE 744.884 6.815 1 20 [+*******-***********]
1 11 SER 575.322 7.101 10 20 [*********+*****-****]
1 12 MET 736.219 6.594 18 20 [-****************+**]
1 13 ASP 644.503 6.123 2 20 [*+***************-**]
1 14 VAL 58.747 1.497 7 20 [****-*+*************]
1 15 ASP 98.876 4.819 20 20 [***********-*******+]
1 16 LYS 142.137 5.039 9 20 [****-***+***********]
1 17 ILE 351.063 6.594 18 20 [************-****+**]
1 18 SER 314.756 5.783 18 20 [****************-+**]
1 19 ASN 212.288 6.001 15 20 [**************+**-**]
1 20 SER 690.233 4.975 10 20 [*********+-*********]
1 21 PHE 207.694 3.827 18 20 [**********-******+**]
1 22 GLU 141.273 3.260 18 20 [****-************+**]
1 23 ASP 169.277 4.040 3 20 [*-+*****************]
1 24 CYS 727.330 7.101 10 20 [*********+********-*]
1 25 LYS 359.797 6.314 7 20 [******+***********-*]
1 26 TYR 720.971 6.921 17 20 [-***************+***]
1 27 PHE 1625.073 7.403 14 20 [*******-*****+******]
1 28 LEU 543.440 6.362 7 20 [******+*************]
1 29 ILE 1084.200 10.219 16 20 [***************+-***]
1 30 VAL 985.397 8.415 9 20 [********+***********]
1 31 ARG 268.116 6.696 8 20 [*******+**********-*]
1 32 ILE 576.348 6.800 12 20 [**********-+********]
1 33 ASP 409.096 5.653 15 20 [**************+-****]
1 34 ASP 121.208 3.921 8 20 [*******+****-*******]
1 35 ASN 11.731 1.735 20 4 "[ .* * 1 .- +]"
1 36 GLU 162.261 4.302 1 20 [+-******************]
1 37 VAL 187.337 6.349 4 20 [*-*+****************]
1 38 LYS 166.069 4.983 17 20 [***********-****+***]
1 39 SER 100.355 4.841 1 20 [+**********-********]
1 40 THR 186.315 6.474 17 20 [********-*******+***]
1 41 LYS 120.900 6.318 6 20 [*****+**-***********]
1 42 VAL 292.209 7.403 14 20 [********-****+******]
1 43 ILE 1444.687 9.170 5 20 [****+**-************]
1 44 PHE 330.606 6.921 17 20 [********-*******+***]
1 45 ASN 617.848 6.314 7 20 [******+*-***********]
1 46 ASP 275.168 5.062 19 20 [-*****************+*]
1 47 GLU 11.511 1.221 13 4 "[* *. 1 + - 2]"
1 48 SER 104.396 3.159 19 20 [************-*****+*]
1 49 GLY 228.047 7.872 1 20 [+***-***************]
1 50 LYS 88.433 2.582 19 20 [**************-***+*]
1 51 LYS 24.790 1.468 13 12 "[****. * 1**+ .* ***]"
1 52 SER 439.903 9.170 5 20 [****+**************-]
1 53 ILE 429.711 8.600 4 20 [***+************-***]
1 54 VAL 32.340 0.967 7 20 [****-*+*************]
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 406.906 10.219 16 20 [**************-+****]
1 57 ASN 6.065 0.671 9 4 "[ *- . +1 * . 2]"
1 58 VAL 548.509 7.686 4 20 [***+**********-*****]
1 59 ASN 362.846 7.585 2 20 [*+****-*************]
1 60 ALA 266.324 3.975 1 20 [+*****-*************]
1 61 ILE 327.236 4.599 14 20 [*********-***+******]
1 62 ILE 2171.807 11.350 3 20 [-*+*****************]
1 63 CYS 280.333 4.705 8 20 [*******+*****-******]
1 64 LYS 795.516 7.639 7 20 [******+**********-**]
1 65 ASN 165.743 2.683 7 20 [******+**********-**]
1 66 ILE 331.174 6.218 20 20 [**********-********+]
1 67 SER 268.075 5.158 20 20 [********-**********+]
1 68 GLU 103.257 2.535 3 20 [**+********-********]
1 69 GLU 71.718 2.018 17 20 [********-*******+***]
1 70 ASN 327.490 6.218 20 20 [********-**********+]
1 71 TYR 50.130 2.535 3 20 [**+*********-*******]
1 72 LYS 18.593 0.785 12 19 "[*** *******+*-******]"
1 73 LYS 50.384 1.110 7 20 [******+********-****]
1 74 PHE 14.921 0.835 13 20 [*********-**+*******]
1 75 SER 62.975 3.091 16 20 [************-**+****]
1 76 LYS 0.717 0.629 17 1 "[ . 1 . + 2]"
1 77 LYS 7.899 1.289 14 4 "[ . 1 *+.*- 2]"
1 78 ILE 200.718 7.585 2 20 [*+************-*****]
1 79 GLU 227.779 4.966 16 20 [**************-+****]
1 80 ILE 192.137 4.094 2 20 [*+*-****************]
1 81 TYR 703.642 7.119 3 20 [-*+*****************]
1 82 HIS 887.726 7.639 7 20 [******+******-******]
1 83 ALA 547.845 6.890 18 20 [**************-**+**]
1 84 GLU 193.336 7.809 18 20 [**************-**+**]
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 62.947 1.858 5 20 [****+************-**]
1 87 ASP 563.964 5.389 11 20 [**********+*********]
1 88 VAL 208.531 4.406 18 20 [*************-***+**]
1 89 ASP 65.043 1.000 12 20 [********-**+********]
1 90 LYS 407.939 5.389 11 20 [********-*+*********]
1 91 ASN 1236.082 11.350 3 20 [**+**********-******]
1 92 ILE 161.364 8.415 9 20 [***-****+***********]
1 93 SER 3.034 0.486 11 0 "[ . 1 . 2]"
1 94 LEU 320.917 4.645 9 20 [********+*******-***]
1 95 PHE 583.153 10.768 3 20 [**+*************-***]
1 96 ILE 144.033 7.585 3 20 [**+***********-*****]
1 97 GLU 0.137 0.137 14 0 "[ . 1 . 2]"
1 98 GLY 0.516 0.199 17 0 "[ . 1 . 2]"
1 99 GLU 110.043 3.161 3 20 [**+*************-***]
1 100 LEU 316.114 6.382 3 20 [**+***********-*****]
1 101 SER 244.823 4.899 12 20 [***********+*-******]
1 102 LYS 404.351 7.119 3 20 [**+*****-***********]
1 103 ILE 260.529 5.128 3 20 [**+**********-******]
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ILE HA 1 5 ASN H . . 2.950 2.211 2.017 2.374 . 0 0 "[ . 1 . 2]" 1
2 1 4 ILE HA 1 6 MET H . . 4.830 6.184 4.428 6.524 1.694 14 19 "[***-*********+*** **]" 1
3 1 4 ILE HA 1 33 ASP HA . . 3.310 8.559 7.948 8.963 5.653 15 20 [****-*********+*****] 1
4 1 4 ILE HA 1 34 ASP H . . 4.120 7.740 7.211 8.041 3.921 8 20 [*******+****-*******] 1
5 1 4 ILE HA 1 34 ASP HA . . 4.420 6.426 6.017 6.827 2.407 16 20 [************-**+****] 1
6 1 5 ASN H 1 6 MET H . . 4.030 4.314 2.701 4.527 0.497 13 0 "[ . 1 . 2]" 1
7 1 5 ASN H 1 33 ASP HA . . 3.690 8.053 7.387 8.815 5.125 20 20 [*********-*********+] 1
8 1 5 ASN HA 1 6 MET H . . 3.100 2.328 2.113 2.846 . 0 0 "[ . 1 . 2]" 1
9 1 6 MET H 1 6 MET QB . . 3.590 2.929 2.062 3.435 . 0 0 "[ . 1 . 2]" 1
10 1 6 MET H 1 7 LYS H . . 4.880 2.998 1.971 4.054 . 0 0 "[ . 1 . 2]" 1
11 1 6 MET H 1 32 ILE H . . 4.070 9.177 8.446 10.870 6.800 12 20 [****-******+********] 1
12 1 6 MET H 1 33 ASP HA . . 4.760 6.129 5.503 7.455 2.695 12 20 [***-*******+********] 1
13 1 6 MET HA 1 7 LYS H . . 2.720 2.747 2.217 3.171 0.451 7 0 "[ . 1 . 2]" 1
14 1 6 MET HA 1 7 LYS HA . . 5.500 4.635 4.473 4.843 . 0 0 "[ . 1 . 2]" 1
15 1 6 MET QB 1 7 LYS H . . 3.970 3.992 3.762 4.126 0.156 19 0 "[ . 1 . 2]" 1
16 1 6 MET QB 1 7 LYS HA . . 5.170 4.640 4.134 4.955 . 0 0 "[ . 1 . 2]" 1
17 1 6 MET QB 1 32 ILE H . . 4.410 9.663 9.048 10.235 5.825 6 20 [*****+*********-****] 1
18 1 7 LYS H 1 7 LYS QB . . 3.490 2.299 2.118 2.499 . 0 0 "[ . 1 . 2]" 1
19 1 7 LYS H 1 7 LYS QG . . 4.220 4.057 3.811 4.191 . 0 0 "[ . 1 . 2]" 1
20 1 7 LYS H 1 58 VAL HA . . 4.800 11.011 9.892 12.472 7.672 4 20 [***+****-***********] 1
21 1 7 LYS HA 1 7 LYS QE . . 5.140 4.793 4.140 5.446 0.306 10 0 "[ . 1 . 2]" 1
22 1 7 LYS HA 1 7 LYS QG . . 3.840 2.625 2.298 2.935 . 0 0 "[ . 1 . 2]" 1
23 1 7 LYS HA 1 8 VAL H . . 2.690 2.271 2.148 2.351 . 0 0 "[ . 1 . 2]" 1
24 1 7 LYS HA 1 30 VAL H . . 4.780 12.361 11.902 12.903 8.123 20 20 [****-**************+] 1
25 1 7 LYS HA 1 30 VAL HB . . 4.600 10.771 10.164 11.694 7.094 7 20 [****-*+*************] 1
26 1 7 LYS HA 1 31 ARG HA . . 3.170 9.426 8.885 9.866 6.696 8 20 [*******+**********-*] 1
27 1 7 LYS HA 1 32 ILE H . . 4.320 8.425 8.075 8.684 4.364 18 20 [*****************+-*] 1
28 1 7 LYS HA 1 58 VAL HA . . 5.210 8.973 7.895 10.306 5.096 4 20 [*-*+****************] 1
29 1 7 LYS QB 1 7 LYS QE . . 4.050 3.216 2.567 4.158 0.108 18 0 "[ . 1 . 2]" 1
30 1 7 LYS QB 1 8 VAL H . . 5.120 3.453 3.078 3.660 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS QB 1 58 VAL HA . . 3.290 10.150 9.342 10.976 7.686 4 20 [*-*+****************] 1
32 1 7 LYS QB 1 59 ASN H . . 3.820 9.508 9.140 9.890 6.070 13 20 [********-***+*******] 1
33 1 7 LYS QG 1 8 VAL H . . 4.360 2.352 1.901 2.828 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS QG 1 31 ARG HA . . 4.180 7.273 6.036 8.273 4.093 1 20 [+*****************-*] 1
35 1 7 LYS QG 1 58 VAL HA . . 4.600 9.405 8.299 10.553 5.953 18 20 [*******-*********+**] 1
36 1 8 VAL H 1 9 ALA H . . 5.460 4.244 3.977 4.382 . 0 0 "[ . 1 . 2]" 1
37 1 8 VAL H 1 30 VAL H . . 3.840 10.525 10.040 10.931 7.091 20 20 [****-**************+] 1
38 1 8 VAL H 1 30 VAL HB . . 4.120 9.075 8.451 9.927 5.807 7 20 [****-*+*************] 1
39 1 8 VAL HA 1 9 ALA H . . 2.770 2.268 2.159 2.459 . 0 0 "[ . 1 . 2]" 1
40 1 8 VAL HA 1 60 ALA H . . 3.300 4.559 4.302 4.788 1.488 14 20 [*************+-*****] 1
41 1 9 ALA H 1 10 ILE H . . 5.400 4.300 4.160 4.458 . 0 0 "[ . 1 . 2]" 1
42 1 9 ALA H 1 29 ILE MD . . 5.500 6.087 5.202 7.926 2.426 14 7 "[ *.** *1 +. - *]" 1
43 1 9 ALA H 1 60 ALA H . . 4.240 4.746 4.243 4.955 0.715 14 13 "[*** ***-*1 * +* * *]" 1
44 1 9 ALA H 1 61 ILE HA . . 3.390 7.700 7.015 7.989 4.599 14 20 [*************+****-*] 1
45 1 9 ALA HA 1 10 ILE H . . 2.780 2.251 2.127 2.484 . 0 0 "[ . 1 . 2]" 1
46 1 9 ALA HA 1 10 ILE HA . . 4.640 4.479 4.363 4.655 0.015 19 0 "[ . 1 . 2]" 1
47 1 9 ALA HA 1 27 PHE QB . . 5.260 12.074 11.713 12.319 7.059 1 20 [+***-***************] 1
48 1 9 ALA HA 1 28 LEU H . . 4.970 11.043 10.729 11.332 6.362 7 20 [******+*******-*****] 1
49 1 9 ALA HA 1 28 LEU QB . . 5.330 7.224 6.931 7.633 2.303 17 20 [****-***********+***] 1
50 1 9 ALA HA 1 29 ILE HA . . 3.050 9.242 8.976 9.623 6.573 4 20 [***+**********-*****] 1
51 1 9 ALA HA 1 29 ILE MD . . 3.520 7.587 6.746 9.178 5.658 14 20 [****-********+******] 1
52 1 9 ALA HA 1 30 VAL H . . 3.820 8.096 7.825 8.433 4.613 19 20 [****-*************+*] 1
53 1 10 ILE H 1 11 SER H . . 4.790 4.234 3.768 4.538 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE H 1 27 PHE HA . . 4.660 11.172 10.750 11.475 6.815 1 20 [+*************-*****] 1
55 1 10 ILE H 1 27 PHE QB . . 4.700 10.525 10.209 10.795 6.095 1 20 [+*******-***********] 1
56 1 10 ILE H 1 27 PHE QD . . 5.400 9.882 9.447 10.273 4.873 7 20 [******+*******-*****] 1
57 1 10 ILE H 1 28 LEU H . . 3.570 9.241 8.890 9.582 6.012 7 20 [******+*******-*****] 1
58 1 10 ILE H 1 28 LEU QB . . 4.380 5.513 5.190 5.947 1.567 7 20 [******+*-***********] 1
59 1 10 ILE H 1 29 ILE MD . . 4.490 7.193 6.526 8.542 4.052 14 20 [****-********+******] 1
60 1 10 ILE H 1 30 VAL H . . 4.510 7.333 7.057 7.698 3.188 18 20 [*****-***********+**] 1
61 1 10 ILE HA 1 11 SER H . . 2.750 2.255 2.175 2.366 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE HA 1 62 ILE H . . 3.420 7.629 7.194 7.975 4.555 9 20 [********+******-****] 1
63 1 10 ILE HA 1 62 ILE HB . . 3.730 7.515 7.146 7.826 4.096 7 20 [******+********-****] 1
64 1 10 ILE HA 1 62 ILE QG . . 5.040 5.048 4.451 5.453 0.413 1 0 "[ . 1 . 2]" 1
65 1 11 SER H 1 12 MET H . . 4.740 4.437 4.222 4.642 . 0 0 "[ . 1 . 2]" 1
66 1 11 SER H 1 27 PHE QD . . 5.250 6.458 5.758 6.986 1.736 7 20 [******+********-****] 1
67 1 11 SER H 1 62 ILE H . . 4.670 8.312 7.994 8.685 4.015 6 20 [*****+***-**********] 1
68 1 11 SER H 1 62 ILE HB . . 4.360 8.077 7.718 8.419 4.059 7 20 [******+*******-*****] 1
69 1 11 SER HA 1 12 MET H . . 2.840 2.244 2.153 2.420 . 0 0 "[ . 1 . 2]" 1
70 1 11 SER HA 1 12 MET QB . . 4.790 4.512 4.220 4.723 . 0 0 "[ . 1 . 2]" 1
71 1 11 SER HA 1 24 CYS QB . . 4.810 11.166 10.427 11.911 7.101 10 20 [*********+*******-**] 1
72 1 11 SER HA 1 27 PHE HA . . 3.640 9.439 9.128 9.669 6.029 11 20 [*****-****+*********] 1
73 1 11 SER HA 1 27 PHE QD . . 3.400 8.016 7.565 8.334 4.934 13 20 [************+**-****] 1
74 1 11 SER HA 1 28 LEU H . . 4.670 8.099 7.837 8.365 3.695 7 20 [****-*+*************] 1
75 1 12 MET H 1 12 MET QB . . 3.390 2.606 2.318 2.907 . 0 0 "[ . 1 . 2]" 1
76 1 12 MET H 1 18 SER H . . 5.180 7.897 7.530 8.247 3.067 18 20 [****************-+**] 1
77 1 12 MET H 1 24 CYS HA . . 5.420 10.852 10.357 11.461 6.041 10 20 [*********+*******-**] 1
78 1 12 MET H 1 24 CYS QB . . 3.740 9.177 8.436 9.988 6.248 10 20 [*********+*******-**] 1
79 1 12 MET H 1 26 TYR H . . 3.960 7.776 7.490 8.074 4.114 15 20 [*****-********+*****] 1
80 1 12 MET HA 1 13 ASP H . . 2.820 2.253 2.135 2.397 . 0 0 "[ . 1 . 2]" 1
81 1 12 MET HA 1 17 ILE HA . . 3.170 9.384 8.919 9.764 6.594 18 20 [************-****+**] 1
82 1 12 MET HA 1 18 SER H . . 3.030 8.502 8.174 8.813 5.783 18 20 [************-****+**] 1
83 1 12 MET HA 1 24 CYS QB . . 5.250 8.248 7.426 9.116 3.866 10 20 [*********+*******-**] 1
84 1 12 MET QB 1 13 ASP H . . 3.700 3.484 2.802 3.811 0.111 6 0 "[ . 1 . 2]" 1
85 1 12 MET QB 1 15 ASP HA . . 5.140 9.615 9.211 9.959 4.819 20 20 [************-******+] 1
86 1 12 MET QB 1 26 TYR H . . 4.730 4.951 4.511 5.246 0.516 1 1 "[+ . 1 . 2]" 1
87 1 13 ASP H 1 13 ASP QB . . 3.400 2.510 2.310 2.747 . 0 0 "[ . 1 . 2]" 1
88 1 13 ASP H 1 14 VAL H . . 3.630 4.467 4.344 4.599 0.969 6 20 [*****+******-*******] 1
89 1 13 ASP H 1 14 VAL HA . . 5.380 5.125 4.800 5.467 0.087 8 0 "[ . 1 . 2]" 1
90 1 13 ASP H 1 16 LYS H . . 4.050 8.511 8.085 9.089 5.039 9 20 [*****-**+***********] 1
91 1 13 ASP H 1 17 ILE HA . . 3.910 7.965 7.606 8.265 4.355 4 20 [***+********-*******] 1
92 1 13 ASP H 1 18 SER H . . 3.820 7.539 7.238 7.800 3.980 18 20 [************-****+**] 1
93 1 13 ASP H 1 18 SER HA . . 3.940 4.939 4.744 5.238 1.298 1 20 [+*****************-*] 1
94 1 13 ASP HA 1 24 CYS HA . . 4.280 9.882 9.279 10.403 6.123 2 20 [*+********-*********] 1
95 1 13 ASP HA 1 25 LYS H . . 3.010 7.702 7.381 8.094 5.084 10 20 [******-**+**********] 1
96 1 13 ASP HA 1 25 LYS QB . . 3.530 4.190 3.955 4.463 0.933 16 15 "[***** ****-**.+ * *]" 1
97 1 13 ASP QB 1 14 VAL H . . 2.900 2.551 2.362 2.873 . 0 0 "[ . 1 . 2]" 1
98 1 13 ASP QB 1 14 VAL HA . . 5.350 4.254 4.142 4.374 . 0 0 "[ . 1 . 2]" 1
99 1 13 ASP QB 1 15 ASP H . . 4.910 3.731 3.365 4.128 . 0 0 "[ . 1 . 2]" 1
100 1 13 ASP QB 1 16 LYS H . . 4.490 5.041 4.713 5.654 1.164 9 10 "[ *. **+1** *.**- 2]" 1
101 1 13 ASP QB 1 18 SER H . . 4.860 5.562 5.063 5.852 0.992 14 18 "[** ********* +**-***]" 1
102 1 13 ASP QB 1 18 SER HA . . 3.240 4.177 3.637 4.603 1.363 1 19 "[+* *******-*********]" 1
103 1 13 ASP QB 1 19 ASN H . . 5.280 4.640 4.285 4.974 . 0 0 "[ . 1 . 2]" 1
104 1 13 ASP QB 1 24 CYS HA . . 4.810 9.798 9.330 10.253 5.443 13 20 [**********-*+*******] 1
105 1 14 VAL H 1 15 ASP H . . 3.620 2.506 2.238 2.930 . 0 0 "[ . 1 . 2]" 1
106 1 14 VAL H 1 15 ASP HA . . 4.240 4.709 4.407 4.958 0.718 15 7 "[* .*** 1 - + *]" 1
107 1 14 VAL H 1 16 LYS H . . 3.610 4.437 3.875 5.107 1.497 7 17 "[****- +***** ******2]" 1
108 1 14 VAL H 1 18 SER HA . . 5.440 3.791 3.222 3.978 . 0 0 "[ . 1 . 2]" 1
109 1 14 VAL HA 1 16 LYS H . . 5.030 5.830 5.416 6.304 1.274 9 17 "[ **** **+*****.****-]" 1
110 1 15 ASP H 1 16 LYS H . . 2.910 2.276 1.808 2.877 . 0 0 "[ . 1 . 2]" 1
111 1 16 LYS H 1 16 LYS QB . . 3.880 2.421 2.177 2.750 . 0 0 "[ . 1 . 2]" 1
112 1 16 LYS H 1 17 ILE H . . 4.680 2.266 1.876 2.658 . 0 0 "[ . 1 . 2]" 1
113 1 16 LYS HA 1 17 ILE H . . 2.930 3.237 3.044 3.503 0.573 13 1 "[ . 1 + . 2]" 1
114 1 16 LYS QB 1 17 ILE H . . 3.410 3.559 3.252 4.093 0.683 4 1 "[ +. 1 . 2]" 1
115 1 17 ILE H 1 18 SER H . . 5.270 4.331 4.220 4.400 . 0 0 "[ . 1 . 2]" 1
116 1 17 ILE H 1 88 VAL H . . 5.240 9.180 8.790 9.646 4.406 18 20 [**********-******+**] 1
117 1 17 ILE H 1 88 VAL HA . . 4.890 7.767 6.843 8.568 3.678 18 20 [**************-**+**] 1
118 1 17 ILE HA 1 18 SER H . . 2.780 2.516 2.287 2.663 . 0 0 "[ . 1 . 2]" 1
119 1 18 SER H 1 19 ASN H . . 5.160 4.623 4.524 4.705 . 0 0 "[ . 1 . 2]" 1
120 1 18 SER HA 1 19 ASN QB . . 4.130 4.247 3.992 4.567 0.437 16 0 "[ . 1 . 2]" 1
121 1 18 SER HA 1 20 SER H . . 5.010 6.050 4.918 6.527 1.517 9 14 "[- **. *+*****.*** *]" 1
122 1 19 ASN H 1 19 ASN QB . . 3.160 2.440 2.095 2.829 . 0 0 "[ . 1 . 2]" 1
123 1 19 ASN H 1 20 SER H . . 3.540 4.129 2.965 4.654 1.114 20 14 "[* **. ***-***.*** +]" 1
124 1 19 ASN HA 1 19 ASN QB . . 2.790 2.280 2.171 2.566 . 0 0 "[ . 1 . 2]" 1
125 1 19 ASN HA 1 64 LYS H . . 5.500 10.575 9.816 11.501 6.001 15 20 [**-***********+*****] 1
126 1 19 ASN HA 1 64 LYS QB . . 3.580 7.525 6.890 8.164 4.584 2 20 [*+*****************-] 1
127 1 19 ASN QB 1 20 SER H . . 3.340 2.429 1.805 2.922 . 0 0 "[ . 1 . 2]" 1
128 1 19 ASN QB 1 20 SER HA . . 5.190 4.626 4.387 4.938 . 0 0 "[ . 1 . 2]" 1
129 1 19 ASN QB 1 20 SER QB . . 4.870 4.036 3.329 4.714 . 0 0 "[ . 1 . 2]" 1
130 1 19 ASN QB 1 64 LYS QB . . 4.880 5.605 4.835 6.375 1.495 15 14 "[****** *1** *+* -*2]" 1
131 1 20 SER H 1 21 PHE H . . 5.020 2.463 1.872 3.134 . 0 0 "[ . 1 . 2]" 1
132 1 20 SER H 1 23 ASP H . . 4.580 7.269 6.277 8.016 3.436 1 20 [+-******************] 1
133 1 20 SER H 1 23 ASP QB . . 4.670 8.023 7.385 8.710 4.040 3 20 [**+*******-*********] 1
134 1 20 SER H 1 24 CYS H . . 5.050 5.683 4.963 6.509 1.459 3 11 "[* +*. * ** -*** *]" 1
135 1 20 SER H 1 64 LYS QB . . 5.410 6.453 4.622 7.532 2.122 16 14 "[* **. ***-***.+** *]" 1
136 1 20 SER HA 1 21 PHE H . . 3.010 3.609 3.505 3.684 0.674 5 19 "[****+*****-****** **]" 1
137 1 20 SER HA 1 21 PHE HA . . 4.450 4.563 4.348 4.729 0.279 16 0 "[ . 1 . 2]" 1
138 1 20 SER HA 1 21 PHE QB . . 4.970 4.914 4.572 5.392 0.422 3 0 "[ . 1 . 2]" 1
139 1 20 SER HA 1 22 GLU H . . 4.360 6.900 6.670 7.029 2.669 2 20 [*+****-*************] 1
140 1 20 SER HA 1 64 LYS H . . 4.900 9.162 7.030 9.875 4.975 10 20 [******-**+**********] 1
141 1 20 SER HA 1 64 LYS QB . . 4.570 6.378 5.361 7.025 2.455 10 20 [******-**+**********] 1
142 1 20 SER HA 1 65 ASN H . . 2.910 5.007 4.203 5.593 2.683 7 20 [******+***********-*] 1
143 1 20 SER HA 1 65 ASN QB . . 3.100 2.988 2.073 3.633 0.533 18 1 "[ . 1 . + 2]" 1
144 1 20 SER HA 1 66 ILE HA . . 4.960 7.373 6.657 8.511 3.551 18 20 [******-**********+**] 1
145 1 20 SER QB 1 21 PHE H . . 3.300 2.827 2.546 3.221 . 0 0 "[ . 1 . 2]" 1
146 1 20 SER QB 1 22 GLU H . . 3.400 6.414 6.143 6.660 3.260 18 20 [***************-*+**] 1
147 1 20 SER QB 1 23 ASP H . . 4.420 6.727 6.087 7.171 2.751 15 20 [*-************+*****] 1
148 1 20 SER QB 1 65 ASN H . . 4.570 6.375 5.691 7.191 2.621 7 20 [******+***********-*] 1
149 1 20 SER QB 1 65 ASN QB . . 3.710 4.585 3.957 4.957 1.247 5 18 "[***-+* *********** *]" 1
150 1 20 SER QB 1 66 ILE HA . . 4.780 7.723 7.091 8.557 3.777 18 20 [*****************+-*] 1
151 1 21 PHE H 1 21 PHE QB . . 3.290 3.188 2.684 3.424 0.134 18 0 "[ . 1 . 2]" 1
152 1 21 PHE H 1 22 GLU H . . 3.560 4.366 4.245 4.507 0.947 3 20 [**+*****-***********] 1
153 1 21 PHE H 1 22 GLU QB . . 5.450 5.710 5.627 5.827 0.377 3 0 "[ . 1 . 2]" 1
154 1 21 PHE H 1 23 ASP H . . 4.980 4.954 4.337 5.470 0.490 3 0 "[ . 1 . 2]" 1
155 1 21 PHE H 1 65 ASN H . . 3.960 5.245 4.745 6.570 2.610 7 20 [******+***-*********] 1
156 1 21 PHE H 1 65 ASN QB . . 4.890 4.473 4.122 4.812 . 0 0 "[ . 1 . 2]" 1
157 1 21 PHE H 1 66 ILE HA . . 3.900 7.176 6.854 7.727 3.827 18 20 [******-**********+**] 1
158 1 21 PHE H 1 67 SER H . . 4.620 7.617 7.280 8.125 3.505 18 20 [********-********+**] 1
159 1 21 PHE QB 1 22 GLU H . . 3.460 2.591 2.009 3.147 . 0 0 "[ . 1 . 2]" 1
160 1 21 PHE QB 1 66 ILE HA . . 3.610 4.402 3.990 4.778 1.168 10 19 "[***** ***+-*********]" 1
161 1 21 PHE QB 1 67 SER H . . 4.880 4.123 3.597 4.461 . 0 0 "[ . 1 . 2]" 1
162 1 22 GLU H 1 22 GLU QB . . 3.110 2.176 2.121 2.274 . 0 0 "[ . 1 . 2]" 1
163 1 22 GLU H 1 23 ASP H . . 3.210 2.628 2.220 2.866 . 0 0 "[ . 1 . 2]" 1
164 1 22 GLU H 1 24 CYS H . . 4.900 4.010 3.272 4.327 . 0 0 "[ . 1 . 2]" 1
165 1 22 GLU H 1 66 ILE HA . . 4.530 4.945 4.610 5.272 0.742 19 5 "[ * - 1* * +2]" 1
166 1 22 GLU H 1 67 SER H . . 5.390 4.476 4.147 4.774 . 0 0 "[ . 1 . 2]" 1
167 1 22 GLU HA 1 24 CYS H . . 4.640 4.078 3.588 4.948 0.308 17 0 "[ . 1 . 2]" 1
168 1 22 GLU QB 1 23 ASP H . . 4.160 2.737 2.327 3.300 . 0 0 "[ . 1 . 2]" 1
169 1 23 ASP H 1 23 ASP QB . . 3.300 2.172 1.954 2.443 . 0 0 "[ . 1 . 2]" 1
170 1 23 ASP H 1 24 CYS H . . 3.120 2.498 2.186 2.864 . 0 0 "[ . 1 . 2]" 1
171 1 23 ASP H 1 24 CYS QB . . 5.190 4.090 3.671 4.563 . 0 0 "[ . 1 . 2]" 1
172 1 23 ASP QB 1 24 CYS H . . 5.010 3.321 2.382 3.792 . 0 0 "[ . 1 . 2]" 1
173 1 24 CYS H 1 24 CYS QB . . 3.390 2.474 2.058 2.804 . 0 0 "[ . 1 . 2]" 1
174 1 24 CYS H 1 25 LYS H . . 4.620 2.395 1.782 3.205 . 0 0 "[ . 1 . 2]" 1
175 1 24 CYS HA 1 25 LYS H . . 2.910 3.051 2.329 3.421 0.511 19 1 "[ . 1 . +2]" 1
176 1 24 CYS HA 1 25 LYS QB . . 5.080 5.208 4.826 5.444 0.364 2 0 "[ . 1 . 2]" 1
177 1 24 CYS HA 1 26 TYR H . . 4.500 6.336 5.745 6.705 2.205 19 20 [**********-*******+*] 1
178 1 24 CYS QB 1 25 LYS H . . 3.440 3.637 3.152 4.022 0.582 15 5 "[ . *-** + 2]" 1
179 1 24 CYS QB 1 26 TYR H . . 4.080 6.478 5.822 7.082 3.002 9 20 [*******-+***********] 1
180 1 25 LYS H 1 25 LYS QB . . 3.320 2.730 2.448 3.196 . 0 0 "[ . 1 . 2]" 1
181 1 25 LYS H 1 26 TYR H . . 3.050 4.490 4.281 4.610 1.560 20 20 [********-**********+] 1
182 1 25 LYS H 1 45 ASN H . . 5.500 11.502 11.034 11.814 6.314 7 20 [******+*******-*****] 1
183 1 25 LYS HA 1 45 ASN QB . . 4.350 8.894 8.557 9.185 4.835 15 20 [********-*****+*****] 1
184 1 25 LYS QB 1 26 TYR H . . 3.810 2.345 2.201 2.581 . 0 0 "[ . 1 . 2]" 1
185 1 26 TYR H 1 27 PHE H . . 4.970 2.039 1.899 2.230 . 0 0 "[ . 1 . 2]" 1
186 1 26 TYR HA 1 27 PHE H . . 3.280 3.592 3.516 3.644 0.364 6 0 "[ . 1 . 2]" 1
187 1 26 TYR HA 1 44 PHE HA . . 3.170 9.800 9.544 10.091 6.921 17 20 [****-***********+***] 1
188 1 26 TYR HA 1 45 ASN H . . 3.420 8.135 7.918 8.374 4.954 17 20 [********-*******+***] 1
189 1 26 TYR HA 1 45 ASN QB . . 4.220 5.329 4.840 5.679 1.459 15 20 [********-*****+*****] 1
190 1 26 TYR QB 1 27 PHE H . . 3.170 2.805 2.608 3.089 . 0 0 "[ . 1 . 2]" 1
191 1 26 TYR QB 1 43 ILE H . . 4.940 10.306 10.020 10.693 5.753 11 20 [**********+********-] 1
192 1 26 TYR QB 1 44 PHE HA . . 3.510 8.871 8.576 9.095 5.585 7 20 [******+*******-*****] 1
193 1 26 TYR QB 1 45 ASN H . . 4.660 7.494 7.285 7.745 3.085 17 20 [**************-*+***] 1
194 1 27 PHE H 1 27 PHE QB . . 3.350 3.250 3.141 3.312 . 0 0 "[ . 1 . 2]" 1
195 1 27 PHE H 1 27 PHE QD . . 3.450 3.075 2.791 3.308 . 0 0 "[ . 1 . 2]" 1
196 1 27 PHE H 1 28 LEU H . . 4.810 4.297 4.244 4.360 . 0 0 "[ . 1 . 2]" 1
197 1 27 PHE H 1 42 VAL HA . . 4.730 11.871 11.624 12.133 7.403 14 20 [****-********+******] 1
198 1 27 PHE H 1 43 ILE H . . 3.720 10.095 9.569 10.361 6.641 3 20 [**+********-********] 1
199 1 27 PHE H 1 43 ILE HB . . 4.320 8.081 7.156 9.129 4.809 3 20 [**+*************-***] 1
200 1 27 PHE H 1 43 ILE QG . . 5.330 6.827 5.493 8.230 2.900 10 12 "[ *-*** + ** * ** *]" 1
201 1 27 PHE H 1 43 ILE MG . . 5.000 5.975 5.223 6.832 1.832 3 10 "[**+ - *1* *** *2]" 1
202 1 27 PHE H 1 44 PHE HA . . 4.000 8.408 8.124 8.599 4.599 17 20 [****-***********+***] 1
203 1 27 PHE H 1 45 ASN H . . 4.580 7.462 7.299 7.637 3.057 17 20 [****-***********+***] 1
204 1 27 PHE H 1 45 ASN QB . . 5.050 6.071 5.756 6.274 1.224 3 20 [**+*****-***********] 1
205 1 27 PHE HA 1 27 PHE QD . . 3.250 3.793 3.758 3.848 0.598 12 20 [***********+*-******] 1
206 1 27 PHE HA 1 28 LEU H . . 2.750 2.382 2.271 2.468 . 0 0 "[ . 1 . 2]" 1
207 1 27 PHE HA 1 28 LEU QB . . 4.850 4.372 4.206 4.518 . 0 0 "[ . 1 . 2]" 1
208 1 27 PHE HA 1 43 ILE H . . 5.500 8.520 7.925 8.798 3.298 17 20 [***********-****+***] 1
209 1 27 PHE QB 1 28 LEU H . . 4.030 2.276 2.110 2.465 . 0 0 "[ . 1 . 2]" 1
210 1 27 PHE QB 1 29 ILE MD . . 3.890 6.324 5.002 6.863 2.973 12 20 [***********+*-******] 1
211 1 27 PHE QB 1 43 ILE H . . 4.380 6.098 5.812 6.338 1.958 15 20 [********-*****+*****] 1
212 1 27 PHE QB 1 43 ILE HB . . 3.540 4.472 3.937 5.103 1.563 15 15 "[****** -*1** *+* **2]" 1
213 1 27 PHE QB 1 43 ILE QG . . 5.100 3.509 2.130 4.918 . 0 0 "[ . 1 . 2]" 1
214 1 27 PHE QB 1 43 ILE MG . . 4.920 2.966 1.941 4.021 . 0 0 "[ . 1 . 2]" 1
215 1 27 PHE QD 1 28 LEU H . . 4.130 3.139 2.833 3.453 . 0 0 "[ . 1 . 2]" 1
216 1 27 PHE QD 1 29 ILE MD . . 4.240 4.716 3.320 5.329 1.089 1 15 "[+**-* * **** *****2]" 1
217 1 27 PHE QD 1 43 ILE HB . . 3.580 3.525 2.141 4.885 1.305 5 10 "[-** + *1* *** *2]" 1
218 1 27 PHE QD 1 43 ILE MG . . 3.180 2.398 1.989 2.849 . 0 0 "[ . 1 . 2]" 1
219 1 27 PHE QD 1 45 ASN HA . . 3.830 4.204 4.185 4.216 0.386 9 0 "[ . 1 . 2]" 1
220 1 27 PHE QE 1 45 ASN HA . . 3.550 6.169 6.094 6.251 2.701 15 20 [**************+*-***] 1
221 1 27 PHE QE 1 45 ASN QB . . 4.140 7.191 7.053 7.381 3.241 20 20 [***************-***+] 1
222 1 27 PHE QE 1 46 ASP H . . 5.500 7.139 6.947 7.407 1.907 6 20 [***-*+**************] 1
223 1 28 LEU H 1 28 LEU QB . . 3.360 2.468 2.346 2.585 . 0 0 "[ . 1 . 2]" 1
224 1 28 LEU H 1 29 ILE MD . . 5.210 6.517 5.510 6.978 1.768 1 19 "[+*****-****** ******]" 1
225 1 28 LEU H 1 42 VAL HA . . 4.900 8.671 8.429 8.878 3.978 18 20 [********-********+**] 1
226 1 28 LEU HA 1 29 ILE H . . 2.970 2.157 2.085 2.197 . 0 0 "[ . 1 . 2]" 1
227 1 28 LEU HA 1 43 ILE H . . 4.380 8.274 6.967 8.466 4.086 6 20 [*****+*****-********] 1
228 1 28 LEU QB 1 29 ILE H . . 5.010 3.478 3.172 3.636 . 0 0 "[ . 1 . 2]" 1
229 1 29 ILE H 1 29 ILE MD . . 4.290 4.210 4.116 4.299 0.009 17 0 "[ . 1 . 2]" 1
230 1 29 ILE H 1 41 LYS H . . 4.680 10.691 9.486 10.998 6.318 6 20 [*****+**-***********] 1
231 1 29 ILE H 1 42 VAL HA . . 4.790 8.321 8.142 8.557 3.767 14 20 [************-+******] 1
232 1 29 ILE HA 1 29 ILE MD . . 3.260 2.556 1.992 2.822 . 0 0 "[ . 1 . 2]" 1
233 1 29 ILE HA 1 30 VAL H . . 2.770 2.213 2.120 2.325 . 0 0 "[ . 1 . 2]" 1
234 1 29 ILE HA 1 30 VAL HB . . 5.040 4.882 4.506 5.104 0.064 10 0 "[ . 1 . 2]" 1
235 1 29 ILE MD 1 30 VAL H . . 4.290 2.782 2.448 3.194 . 0 0 "[ . 1 . 2]" 1
236 1 29 ILE MD 1 43 ILE H . . 4.570 4.795 3.612 5.529 0.959 16 8 "[**- * 1* *+ *2]" 1
237 1 29 ILE MD 1 43 ILE HB . . 3.750 4.707 2.415 6.344 2.594 16 9 "[*** * -1* *+ *2]" 1
238 1 29 ILE MD 1 43 ILE MG . . 4.420 4.226 1.936 5.306 0.886 12 7 "[ -. * * +* . ** 2]" 1
239 1 29 ILE MD 1 53 ILE HA . . 4.700 12.725 11.927 13.300 8.600 4 20 [***+*-**************] 1
240 1 29 ILE MD 1 56 GLU QB . . 4.970 12.510 11.649 13.441 8.471 16 20 [***************+***-] 1
241 1 29 ILE MD 1 56 GLU QG . . 4.750 14.060 13.263 14.969 10.219 16 20 [***************+-***] 1
242 1 30 VAL H 1 30 VAL HB . . 3.310 2.693 2.449 2.862 . 0 0 "[ . 1 . 2]" 1
243 1 30 VAL H 1 30 VAL MG2 . . 4.300 3.848 3.755 3.926 . 0 0 "[ . 1 . 2]" 1
244 1 30 VAL HA 1 30 VAL MG2 . . 3.280 2.328 2.216 2.584 . 0 0 "[ . 1 . 2]" 1
245 1 30 VAL HA 1 31 ARG H . . 3.250 2.186 2.085 2.311 . 0 0 "[ . 1 . 2]" 1
246 1 30 VAL HA 1 40 THR HA . . 4.440 10.037 8.493 10.914 6.474 17 20 [********-*******+***] 1
247 1 30 VAL HB 1 31 ARG H . . 4.470 4.387 4.137 4.489 0.019 6 0 "[ . 1 . 2]" 1
248 1 30 VAL MG2 1 31 ARG H . . 3.800 3.290 2.608 3.686 . 0 0 "[ . 1 . 2]" 1
249 1 30 VAL MG2 1 31 ARG HA . . 4.710 4.374 3.887 4.825 0.115 18 0 "[ . 1 . 2]" 1
250 1 30 VAL MG2 1 40 THR HA . . 4.530 7.922 6.293 8.796 4.266 15 20 [********-*****+*****] 1
251 1 30 VAL MG2 1 92 ILE HA . . 5.500 13.274 12.829 13.915 8.415 9 20 [********+*-*********] 1
252 1 31 ARG H 1 39 SER QB . . 5.380 9.429 8.291 10.221 4.841 1 20 [+*************-*****] 1
253 1 31 ARG HA 1 32 ILE H . . 2.810 2.299 2.125 2.650 . 0 0 "[ . 1 . 2]" 1
254 1 31 ARG HA 1 32 ILE HA . . 4.770 4.521 4.465 4.632 . 0 0 "[ . 1 . 2]" 1
255 1 32 ILE H 1 33 ASP H . . 5.310 4.191 3.486 4.557 . 0 0 "[ . 1 . 2]" 1
256 1 32 ILE HA 1 33 ASP H . . 2.860 2.183 2.082 2.314 . 0 0 "[ . 1 . 2]" 1
257 1 32 ILE HA 1 36 GLU H . . 4.940 8.823 8.490 9.242 4.302 1 20 [+*********-*********] 1
258 1 32 ILE HA 1 37 VAL HA . . 3.250 9.218 8.924 9.599 6.349 4 20 [***+******-*********] 1
259 1 32 ILE HA 1 38 LYS H . . 3.970 8.471 8.041 8.953 4.983 17 20 [**********-*****+***] 1
260 1 33 ASP H 1 35 ASN H . . 5.500 5.895 5.537 7.235 1.735 20 4 "[ .* * 1 .- +]" 1
261 1 33 ASP H 1 36 GLU H . . 3.710 6.760 6.516 7.113 3.403 6 20 [***-*+**************] 1
262 1 33 ASP H 1 37 VAL HA . . 5.090 7.756 7.108 8.137 3.047 4 20 [***+******-*********] 1
263 1 33 ASP H 1 38 LYS H . . 4.310 7.470 6.589 7.891 3.581 4 20 [***+******-*********] 1
264 1 33 ASP HA 1 34 ASP H . . 3.270 2.200 2.012 2.306 . 0 0 "[ . 1 . 2]" 1
265 1 33 ASP HA 1 34 ASP HA . . 4.410 4.463 4.360 4.535 0.125 16 0 "[ . 1 . 2]" 1
266 1 33 ASP HA 1 34 ASP QB . . 4.940 4.073 3.764 4.505 . 0 0 "[ . 1 . 2]" 1
267 1 33 ASP HA 1 35 ASN H . . 4.620 3.954 3.412 6.182 1.562 20 2 "[ . - 1 . +]" 1
268 1 34 ASP H 1 34 ASP HA . . 2.910 2.971 2.904 2.999 0.089 5 0 "[ . 1 . 2]" 1
269 1 34 ASP H 1 35 ASN H . . 3.830 2.149 1.762 4.131 0.301 20 0 "[ . 1 . 2]" 1
270 1 34 ASP HA 1 35 ASN H . . 3.290 3.146 2.193 3.351 0.061 16 0 "[ . 1 . 2]" 1
271 1 34 ASP HA 1 35 ASN QB . . 4.900 4.603 4.282 4.771 . 0 0 "[ . 1 . 2]" 1
272 1 34 ASP HA 1 36 GLU H . . 5.500 4.411 3.470 4.699 . 0 0 "[ . 1 . 2]" 1
273 1 34 ASP QB 1 35 ASN H . . 4.410 3.459 3.036 3.749 . 0 0 "[ . 1 . 2]" 1
274 1 34 ASP QB 1 36 GLU H . . 5.080 5.341 4.887 5.555 0.475 19 0 "[ . 1 . 2]" 1
275 1 35 ASN H 1 36 GLU H . . 3.920 2.492 2.137 2.865 . 0 0 "[ . 1 . 2]" 1
276 1 35 ASN HA 1 36 GLU HB2 . . 5.500 4.176 3.818 4.971 . 0 0 "[ . 1 . 2]" 1
277 1 35 ASN QB 1 36 GLU H . . 5.130 3.978 3.885 4.037 . 0 0 "[ . 1 . 2]" 1
278 1 36 GLU H 1 36 GLU HB2 . . 3.620 3.180 2.861 3.845 0.225 8 0 "[ . 1 . 2]" 1
279 1 36 GLU H 1 36 GLU HB3 . . 3.770 3.924 3.780 4.111 0.341 1 0 "[ . 1 . 2]" 1
280 1 36 GLU H 1 37 VAL H . . 5.000 3.057 2.824 3.347 . 0 0 "[ . 1 . 2]" 1
281 1 36 GLU HA 1 37 VAL H . . 3.100 3.275 3.049 3.513 0.413 13 0 "[ . 1 . 2]" 1
282 1 36 GLU HB2 1 37 VAL H . . 3.840 4.134 3.142 4.510 0.670 10 2 "[ - . + . 2]" 1
283 1 36 GLU HB3 1 37 VAL H . . 3.750 3.908 3.281 4.671 0.921 8 3 "[ *. + 1 .- 2]" 1
284 1 37 VAL H 1 38 LYS H . . 5.020 4.400 4.262 4.521 . 0 0 "[ . 1 . 2]" 1
285 1 37 VAL HA 1 38 LYS H . . 3.130 2.290 2.172 2.524 . 0 0 "[ . 1 . 2]" 1
286 1 38 LYS H 1 39 SER H . . 3.660 4.302 3.741 4.560 0.900 13 15 "[*** . *****-+**** *]" 1
287 1 39 SER HA 1 40 THR H . . 3.230 3.557 3.389 3.632 0.402 19 0 "[ . 1 . 2]" 1
288 1 39 SER QB 1 40 THR H . . 3.790 2.900 2.038 3.559 . 0 0 "[ . 1 . 2]" 1
289 1 41 LYS HA 1 42 VAL H . . 2.890 2.487 2.131 3.563 0.673 9 1 "[ . +1 . 2]" 1
290 1 42 VAL H 1 43 ILE H . . 4.860 4.322 4.105 4.609 . 0 0 "[ . 1 . 2]" 1
291 1 42 VAL HA 1 43 ILE H . . 2.720 2.405 2.197 2.981 0.261 12 0 "[ . 1 . 2]" 1
292 1 42 VAL HA 1 43 ILE HB . . 4.550 4.584 4.281 4.952 0.402 7 0 "[ . 1 . 2]" 1
293 1 43 ILE H 1 43 ILE HB . . 3.360 2.824 2.373 3.148 . 0 0 "[ . 1 . 2]" 1
294 1 43 ILE H 1 43 ILE QG . . 4.050 3.281 2.144 4.343 0.293 9 0 "[ . 1 . 2]" 1
295 1 43 ILE H 1 43 ILE MG . . 4.570 3.299 2.877 3.811 . 0 0 "[ . 1 . 2]" 1
296 1 43 ILE H 1 44 PHE H . . 5.330 4.265 3.212 4.556 . 0 0 "[ . 1 . 2]" 1
297 1 43 ILE HA 1 43 ILE QG . . 3.530 3.031 2.563 3.518 . 0 0 "[ . 1 . 2]" 1
298 1 43 ILE HA 1 43 ILE MG . . 3.300 2.441 2.227 2.651 . 0 0 "[ . 1 . 2]" 1
299 1 43 ILE HA 1 44 PHE H . . 2.850 2.111 1.929 2.253 . 0 0 "[ . 1 . 2]" 1
300 1 43 ILE HB 1 44 PHE H . . 4.770 3.915 3.174 4.544 . 0 0 "[ . 1 . 2]" 1
301 1 43 ILE QG 1 44 PHE H . . 5.280 3.835 2.725 4.674 . 0 0 "[ . 1 . 2]" 1
302 1 43 ILE QG 1 52 SER QB . . 5.160 12.327 10.510 13.764 8.604 17 20 [*************-**+***] 1
303 1 43 ILE MG 1 44 PHE H . . 3.690 3.159 2.191 4.230 0.540 9 1 "[ . +1 . 2]" 1
304 1 43 ILE MG 1 45 ASN HA . . 5.500 4.600 3.140 5.956 0.456 5 0 "[ . 1 . 2]" 1
305 1 43 ILE MG 1 46 ASP H . . 5.350 6.369 4.940 7.735 2.385 1 10 "[+** * *1* -** *2]" 1
306 1 43 ILE MG 1 49 GLY H . . 4.980 11.333 9.555 12.852 7.872 1 20 [+******************-] 1
307 1 43 ILE MG 1 52 SER H . . 4.800 11.604 10.037 13.042 8.242 9 20 [********+**********-] 1
308 1 43 ILE MG 1 52 SER QB . . 3.550 11.517 10.297 12.720 9.170 5 20 [****+************-**] 1
309 1 43 ILE MG 1 53 ILE H . . 4.640 10.698 9.236 12.080 7.440 9 20 [********+**********-] 1
310 1 43 ILE MG 1 53 ILE HA . . 5.160 11.486 10.165 12.716 7.556 9 20 [*******-+***********] 1
311 1 44 PHE H 1 45 ASN H . . 5.240 4.111 3.918 4.351 . 0 0 "[ . 1 . 2]" 1
312 1 44 PHE HA 1 45 ASN H . . 2.960 2.287 2.233 2.352 . 0 0 "[ . 1 . 2]" 1
313 1 44 PHE HA 1 45 ASN QB . . 4.770 4.484 4.212 4.619 . 0 0 "[ . 1 . 2]" 1
314 1 45 ASN H 1 45 ASN QB . . 3.390 2.395 2.113 2.534 . 0 0 "[ . 1 . 2]" 1
315 1 45 ASN HA 1 46 ASP H . . 2.910 2.309 2.138 2.433 . 0 0 "[ . 1 . 2]" 1
316 1 45 ASN HA 1 50 LYS H . . 5.470 7.038 6.591 7.368 1.898 18 20 [**************-**+**] 1
317 1 45 ASN QB 1 46 ASP H . . 5.030 2.650 2.326 2.935 . 0 0 "[ . 1 . 2]" 1
318 1 46 ASP H 1 46 ASP QB . . 3.810 2.298 2.203 2.373 . 0 0 "[ . 1 . 2]" 1
319 1 46 ASP H 1 48 SER H . . 4.710 6.977 5.611 7.869 3.159 19 20 [**************-***+*] 1
320 1 46 ASP H 1 49 GLY H . . 3.590 8.339 8.006 8.652 5.062 19 20 [**************-***+*] 1
321 1 46 ASP H 1 50 LYS H . . 4.360 6.655 6.327 6.942 2.582 19 20 [************-*****+*] 1
322 1 46 ASP QB 1 47 GLU H . . 4.160 4.069 3.991 4.151 . 0 0 "[ . 1 . 2]" 1
323 1 46 ASP QB 1 47 GLU QB . . 5.350 5.190 4.642 5.716 0.366 17 0 "[ . 1 . 2]" 1
324 1 46 ASP QB 1 48 SER H . . 4.640 6.279 4.925 7.129 2.489 20 16 "[-***.* **1****.****+]" 1
325 1 47 GLU H 1 48 SER H . . 4.580 3.648 2.246 4.493 . 0 0 "[ . 1 . 2]" 1
326 1 47 GLU HA 1 50 LYS H . . 4.270 4.648 4.048 5.491 1.221 13 4 "[* *. 1 + - 2]" 1
327 1 47 GLU QB 1 48 SER H . . 3.500 2.923 1.816 3.881 0.381 5 0 "[ . 1 . 2]" 1
328 1 47 GLU QB 1 49 GLY H . . 5.290 3.156 2.316 4.086 . 0 0 "[ . 1 . 2]" 1
329 1 48 SER H 1 48 SER QB . . 3.010 2.581 2.067 3.330 0.320 13 0 "[ . 1 . 2]" 1
330 1 48 SER H 1 49 GLY H . . 3.170 3.089 2.443 3.944 0.774 3 5 "[* + - * 1 *. 2]" 1
331 1 48 SER HA 1 50 LYS H . . 5.290 4.113 3.617 4.554 . 0 0 "[ . 1 . 2]" 1
332 1 48 SER HA 1 51 LYS H . . 4.000 3.710 3.140 4.293 0.293 16 0 "[ . 1 . 2]" 1
333 1 48 SER HA 1 51 LYS QB . . 3.590 3.475 2.597 3.909 0.319 16 0 "[ . 1 . 2]" 1
334 1 48 SER HA 1 51 LYS QD . . 3.850 3.462 2.627 4.089 0.239 13 0 "[ . 1 . 2]" 1
335 1 48 SER HA 1 51 LYS QE . . 4.460 4.727 2.461 5.928 1.468 13 10 "[**-*. * 1**+ . **2]" 1
336 1 48 SER HA 1 51 LYS QG . . 4.710 4.612 2.146 5.561 0.851 16 5 "[ *. 1 - .+ **]" 1
337 1 48 SER HA 1 52 SER H . . 5.040 4.435 3.816 5.307 0.267 10 0 "[ . 1 . 2]" 1
338 1 48 SER QB 1 49 GLY H . . 3.370 2.646 2.052 3.564 0.194 2 0 "[ . 1 . 2]" 1
339 1 49 GLY H 1 50 LYS H . . 3.350 2.584 2.343 2.781 . 0 0 "[ . 1 . 2]" 1
340 1 49 GLY H 1 51 LYS H . . 4.750 4.629 4.301 5.083 0.333 4 0 "[ . 1 . 2]" 1
341 1 50 LYS H 1 51 LYS H . . 3.300 2.868 2.443 3.177 . 0 0 "[ . 1 . 2]" 1
342 1 50 LYS H 1 51 LYS HA . . 5.300 5.444 5.075 5.703 0.403 16 0 "[ . 1 . 2]" 1
343 1 51 LYS H 1 51 LYS QB . . 3.000 2.298 2.155 2.408 . 0 0 "[ . 1 . 2]" 1
344 1 51 LYS H 1 51 LYS QE . . 5.230 4.594 3.444 5.222 . 0 0 "[ . 1 . 2]" 1
345 1 51 LYS H 1 51 LYS QG . . 3.460 2.556 2.363 2.938 . 0 0 "[ . 1 . 2]" 1
346 1 51 LYS H 1 52 SER H . . 2.830 2.763 2.652 2.840 0.010 4 0 "[ . 1 . 2]" 1
347 1 51 LYS H 1 53 ILE H . . 4.760 4.375 4.194 4.668 . 0 0 "[ . 1 . 2]" 1
348 1 51 LYS HA 1 51 LYS QE . . 5.500 4.468 4.063 5.275 . 0 0 "[ . 1 . 2]" 1
349 1 51 LYS HA 1 51 LYS QG . . 3.400 2.418 2.218 3.168 . 0 0 "[ . 1 . 2]" 1
350 1 51 LYS HA 1 53 ILE H . . 5.160 4.312 3.857 4.630 . 0 0 "[ . 1 . 2]" 1
351 1 51 LYS HA 1 54 VAL H . . 4.010 3.177 2.973 3.571 . 0 0 "[ . 1 . 2]" 1
352 1 51 LYS HA 1 54 VAL HB . . 3.900 2.722 2.241 3.068 . 0 0 "[ . 1 . 2]" 1
353 1 51 LYS HA 1 54 VAL MG2 . . 3.960 3.968 3.521 4.126 0.166 16 0 "[ . 1 . 2]" 1
354 1 51 LYS QB 1 52 SER H . . 3.820 2.923 2.663 3.729 . 0 0 "[ . 1 . 2]" 1
355 1 51 LYS QE 1 51 LYS QG . . 3.360 2.351 2.141 2.594 . 0 0 "[ . 1 . 2]" 1
356 1 51 LYS QG 1 52 SER H . . 5.130 4.375 2.726 4.687 . 0 0 "[ . 1 . 2]" 1
357 1 52 SER H 1 52 SER QB . . 3.160 2.234 2.006 2.357 . 0 0 "[ . 1 . 2]" 1
358 1 52 SER H 1 53 ILE H . . 3.770 2.773 2.552 2.898 . 0 0 "[ . 1 . 2]" 1
359 1 52 SER H 1 54 VAL H . . 5.050 4.225 4.020 4.395 . 0 0 "[ . 1 . 2]" 1
360 1 52 SER HA 1 53 ILE HA . . 4.930 4.787 4.681 4.864 . 0 0 "[ . 1 . 2]" 1
361 1 52 SER HA 1 54 VAL H . . 4.930 4.478 4.243 4.687 . 0 0 "[ . 1 . 2]" 1
362 1 52 SER HA 1 54 VAL HB . . 5.240 5.143 4.677 5.530 0.290 20 0 "[ . 1 . 2]" 1
363 1 52 SER HA 1 55 LYS H . . 4.170 3.802 3.361 4.079 . 0 0 "[ . 1 . 2]" 1
364 1 52 SER QB 1 53 ILE H . . 3.710 2.775 2.359 3.591 . 0 0 "[ . 1 . 2]" 1
365 1 53 ILE H 1 54 VAL H . . 3.420 2.755 2.519 3.007 . 0 0 "[ . 1 . 2]" 1
366 1 53 ILE H 1 54 VAL MG2 . . 5.150 5.986 5.749 6.117 0.967 7 20 [******+*********-***] 1
367 1 53 ILE HA 1 56 GLU H . . 4.390 3.367 2.944 3.636 . 0 0 "[ . 1 . 2]" 1
368 1 53 ILE HA 1 56 GLU QB . . 3.770 2.959 2.411 3.381 . 0 0 "[ . 1 . 2]" 1
369 1 53 ILE HA 1 56 GLU QG . . 4.480 4.477 2.559 5.405 0.925 16 4 "[ . 1 -* .+ *2]" 1
370 1 54 VAL H 1 54 VAL HB . . 3.040 2.517 2.332 2.721 . 0 0 "[ . 1 . 2]" 1
371 1 54 VAL H 1 54 VAL MG2 . . 3.120 3.783 3.717 3.828 0.708 13 20 [****-*******+*******] 1
372 1 54 VAL H 1 55 LYS H . . 3.310 2.885 2.608 3.171 . 0 0 "[ . 1 . 2]" 1
373 1 54 VAL HA 1 54 VAL MG2 . . 3.260 2.513 2.298 2.667 . 0 0 "[ . 1 . 2]" 1
374 1 54 VAL HA 1 55 LYS HA . . 5.090 4.806 4.682 4.915 . 0 0 "[ . 1 . 2]" 1
375 1 54 VAL HB 1 55 LYS H . . 3.660 2.769 2.510 3.265 . 0 0 "[ . 1 . 2]" 1
376 1 54 VAL MG2 1 55 LYS H . . 4.590 3.499 3.126 3.840 . 0 0 "[ . 1 . 2]" 1
377 1 54 VAL MG2 1 55 LYS HA . . 5.450 3.538 2.976 3.891 . 0 0 "[ . 1 . 2]" 1
378 1 54 VAL MG2 1 56 GLU H . . 5.500 4.922 4.623 5.224 . 0 0 "[ . 1 . 2]" 1
379 1 55 LYS H 1 56 GLU H . . 3.460 2.742 2.464 2.936 . 0 0 "[ . 1 . 2]" 1
380 1 56 GLU H 1 56 GLU QB . . 3.360 2.355 2.139 2.641 . 0 0 "[ . 1 . 2]" 1
381 1 56 GLU H 1 56 GLU QG . . 3.900 3.566 2.217 3.948 0.048 14 0 "[ . 1 . 2]" 1
382 1 56 GLU H 1 58 VAL H . . 4.470 5.244 3.925 7.136 2.666 3 8 "[ *+ . *1 ***.- *]" 1
383 1 56 GLU HA 1 56 GLU QG . . 3.740 2.381 2.179 3.338 . 0 0 "[ . 1 . 2]" 1
384 1 56 GLU HA 1 57 ASN QB . . 5.430 5.133 4.830 5.322 . 0 0 "[ . 1 . 2]" 1
385 1 56 GLU HA 1 58 VAL H . . 5.240 4.822 3.087 6.781 1.541 3 8 "[ -+ . *1 ***.* *]" 1
386 1 56 GLU QB 1 57 ASN H . . 5.080 3.370 2.803 4.009 . 0 0 "[ . 1 . 2]" 1
387 1 56 GLU QB 1 58 VAL H . . 4.680 5.381 4.408 6.841 2.161 14 8 "[ ** . -1 **+.* *]" 1
388 1 56 GLU QG 1 58 VAL H . . 5.450 6.537 5.121 8.051 2.601 16 10 "[ ** * *1 ***-+ *]" 1
389 1 57 ASN H 1 58 VAL H . . 3.950 3.333 2.252 4.621 0.671 9 4 "[ *- . +1 * . 2]" 1
390 1 57 ASN HA 1 58 VAL H . . 3.230 3.073 2.179 3.528 0.298 18 0 "[ . 1 . 2]" 1
391 1 57 ASN QB 1 58 VAL H . . 4.650 2.994 1.723 3.794 . 0 0 "[ . 1 . 2]" 1
392 1 58 VAL H 1 59 ASN H . . 4.780 2.861 2.467 3.699 . 0 0 "[ . 1 . 2]" 1
393 1 58 VAL HA 1 59 ASN H . . 2.860 2.739 2.438 3.201 0.341 16 0 "[ . 1 . 2]" 1
394 1 58 VAL HA 1 59 ASN HA . . 4.580 4.690 4.543 4.839 0.259 18 0 "[ . 1 . 2]" 1
395 1 58 VAL HA 1 60 ALA H . . 3.950 6.029 5.761 6.449 2.499 16 20 [*-*************+****] 1
396 1 59 ASN H 1 60 ALA H . . 2.940 4.601 4.498 4.665 1.725 7 20 [******+********-****] 1
397 1 59 ASN H 1 60 ALA HA . . 5.130 5.627 5.248 6.027 0.897 18 10 "[* ** -**1 * *+*2]" 1
398 1 59 ASN HA 1 60 ALA HA . . 4.960 4.468 4.357 4.534 . 0 0 "[ . 1 . 2]" 1
399 1 59 ASN HA 1 78 ILE HA . . 4.290 10.450 9.333 11.875 7.585 2 20 [*+**************-***] 1
400 1 59 ASN HA 1 79 GLU H . . 5.160 9.146 7.928 10.126 4.966 16 20 [***************+***-] 1
401 1 60 ALA H 1 61 ILE H . . 4.930 2.243 1.830 2.499 . 0 0 "[ . 1 . 2]" 1
402 1 60 ALA HA 1 61 ILE H . . 2.840 3.595 3.569 3.629 0.789 15 20 [*********-****+*****] 1
403 1 60 ALA HA 1 61 ILE HA . . 5.190 4.646 4.533 4.733 . 0 0 "[ . 1 . 2]" 1
404 1 60 ALA HA 1 78 ILE HA . . 4.380 7.365 6.393 8.247 3.867 2 20 [*+**************-***] 1
405 1 60 ALA HA 1 79 GLU H . . 3.280 6.855 6.351 7.255 3.975 1 20 [+******************-] 1
406 1 60 ALA HA 1 79 GLU HA . . 4.920 4.120 3.773 4.370 . 0 0 "[ . 1 . 2]" 1
407 1 61 ILE H 1 79 GLU H . . 4.600 7.857 7.544 8.066 3.466 16 20 [***************+***-] 1
408 1 61 ILE H 1 80 ILE HA . . 3.480 7.352 7.086 7.574 4.094 2 20 [*+*-****************] 1
409 1 61 ILE H 1 81 TYR H . . 3.930 8.091 7.759 8.242 4.312 7 20 [**-***+*************] 1
410 1 61 ILE HA 1 62 ILE H . . 2.630 2.388 2.302 2.446 . 0 0 "[ . 1 . 2]" 1
411 1 61 ILE HA 1 62 ILE HA . . 5.020 4.546 4.502 4.601 . 0 0 "[ . 1 . 2]" 1
412 1 61 ILE HA 1 62 ILE HB . . 4.810 4.636 4.358 4.840 0.030 16 0 "[ . 1 . 2]" 1
413 1 61 ILE HA 1 81 TYR H . . 5.330 5.202 4.842 5.360 0.030 2 0 "[ . 1 . 2]" 1
414 1 62 ILE H 1 62 ILE HB . . 3.330 2.550 2.233 2.798 . 0 0 "[ . 1 . 2]" 1
415 1 62 ILE H 1 62 ILE MD . . 4.350 3.876 3.364 4.280 . 0 0 "[ . 1 . 2]" 1
416 1 62 ILE H 1 62 ILE QG . . 3.840 2.818 2.614 2.967 . 0 0 "[ . 1 . 2]" 1
417 1 62 ILE HA 1 62 ILE MD . . 4.540 3.909 3.818 4.007 . 0 0 "[ . 1 . 2]" 1
418 1 62 ILE HA 1 62 ILE QG . . 3.840 2.435 2.288 2.610 . 0 0 "[ . 1 . 2]" 1
419 1 62 ILE HA 1 62 ILE MG . . 3.200 2.452 2.284 2.611 . 0 0 "[ . 1 . 2]" 1
420 1 62 ILE HA 1 63 CYS H . . 2.740 2.313 2.160 2.436 . 0 0 "[ . 1 . 2]" 1
421 1 62 ILE HA 1 81 TYR H . . 3.980 7.432 6.982 7.695 3.715 12 20 [***-*******+********] 1
422 1 62 ILE HA 1 83 ALA H . . 5.260 9.064 8.760 9.349 4.089 8 20 [*******+*****-******] 1
423 1 62 ILE HB 1 62 ILE MD . . 3.280 2.406 2.276 2.565 . 0 0 "[ . 1 . 2]" 1
424 1 62 ILE HB 1 63 CYS H . . 4.520 4.198 3.898 4.506 . 0 0 "[ . 1 . 2]" 1
425 1 62 ILE HB 1 91 ASN QB . . 4.900 15.241 14.615 15.670 10.770 12 20 [****-******+********] 1
426 1 62 ILE MD 1 62 ILE MG . . 3.110 2.122 2.042 2.304 . 0 0 "[ . 1 . 2]" 1
427 1 62 ILE MD 1 63 CYS H . . 5.480 5.239 4.985 5.592 0.112 10 0 "[ . 1 . 2]" 1
428 1 62 ILE MD 1 91 ASN HA . . 5.500 16.593 15.854 16.850 11.350 3 20 [**+***********-*****] 1
429 1 62 ILE MD 1 91 ASN QB . . 4.020 14.566 14.097 15.026 11.006 10 20 [****-****+**********] 1
430 1 62 ILE MD 1 95 PHE H . . 4.560 14.562 13.605 14.904 10.344 3 20 [**+***********-*****] 1
431 1 62 ILE MD 1 95 PHE HA . . 4.990 15.282 14.830 15.758 10.768 3 20 [**+***********-*****] 1
432 1 62 ILE MD 1 95 PHE QB . . 3.680 12.267 11.831 12.678 8.998 3 20 [**+**************-**] 1
433 1 62 ILE MD 1 96 ILE H . . 5.500 12.692 12.075 13.085 7.585 3 20 [**+***********-*****] 1
434 1 62 ILE QG 1 81 TYR H . . 4.870 6.109 5.142 6.552 1.682 14 18 "[-** *********+**** *]" 1
435 1 62 ILE MG 1 63 CYS H . . 3.530 2.658 2.249 3.241 . 0 0 "[ . 1 . 2]" 1
436 1 62 ILE MG 1 63 CYS HA . . 5.060 3.728 3.275 4.106 . 0 0 "[ . 1 . 2]" 1
437 1 62 ILE MG 1 83 ALA H . . 3.980 7.362 6.547 7.801 3.821 20 20 [*************-*****+] 1
438 1 62 ILE MG 1 83 ALA HA . . 3.480 6.484 5.831 6.942 3.462 6 20 [*****+*******-******] 1
439 1 62 ILE MG 1 84 GLU H . . 4.850 6.875 6.168 7.345 2.495 8 20 [*******+****-*******] 1
440 1 62 ILE MG 1 91 ASN QB . . 3.880 12.051 11.514 12.513 8.633 10 20 [****-****+**********] 1
441 1 63 CYS H 1 64 LYS H . . 4.900 4.321 3.986 4.551 . 0 0 "[ . 1 . 2]" 1
442 1 63 CYS H 1 64 LYS HA . . 5.380 5.025 4.791 5.320 . 0 0 "[ . 1 . 2]" 1
443 1 63 CYS H 1 81 TYR H . . 4.490 8.320 7.995 8.566 4.076 12 20 [***-*******+********] 1
444 1 63 CYS H 1 82 HIS HA . . 3.890 7.312 6.885 7.684 3.794 8 20 [*******+******-*****] 1
445 1 63 CYS H 1 83 ALA H . . 3.670 7.970 7.469 8.375 4.705 8 20 [*******+*****-******] 1
446 1 63 CYS H 1 83 ALA HA . . 4.980 7.438 7.122 7.748 2.768 8 20 [*******+*****-******] 1
447 1 63 CYS HA 1 64 LYS H . . 3.190 2.246 2.159 2.350 . 0 0 "[ . 1 . 2]" 1
448 1 63 CYS HA 1 64 LYS HA . . 5.500 4.458 4.353 4.586 . 0 0 "[ . 1 . 2]" 1
449 1 63 CYS HA 1 64 LYS QB . . 5.240 4.609 4.314 4.758 . 0 0 "[ . 1 . 2]" 1
450 1 64 LYS H 1 64 LYS QB . . 3.340 3.228 2.876 3.380 0.040 4 0 "[ . 1 . 2]" 1
451 1 64 LYS H 1 65 ASN H . . 2.970 4.217 1.782 4.426 1.456 16 19 "[****** -*******+****]" 1
452 1 64 LYS HA 1 82 HIS HA . . 4.140 8.264 7.938 9.112 4.972 7 20 [******+*******-*****] 1
453 1 64 LYS HA 1 82 HIS HD2 . . 3.010 10.041 8.684 10.649 7.639 7 20 [******+**-**********] 1
454 1 64 LYS HA 1 82 HIS HE1 . . 5.270 11.482 11.053 12.121 6.851 10 20 [*********+****-*****] 1
455 1 64 LYS HA 1 83 ALA H . . 3.580 7.762 7.400 8.665 5.085 7 20 [******+******-******] 1
456 1 64 LYS QB 1 65 ASN H . . 3.320 2.509 2.226 3.244 . 0 0 "[ . 1 . 2]" 1
457 1 64 LYS QB 1 65 ASN QB . . 5.060 4.157 3.922 4.651 . 0 0 "[ . 1 . 2]" 1
458 1 65 ASN H 1 65 ASN QB . . 3.470 2.350 2.158 3.414 . 0 0 "[ . 1 . 2]" 1
459 1 65 ASN H 1 66 ILE H . . 4.710 2.476 2.142 3.039 . 0 0 "[ . 1 . 2]" 1
460 1 65 ASN HA 1 66 ILE H . . 2.770 3.617 3.543 3.697 0.927 6 20 [**-**+**************] 1
461 1 65 ASN QB 1 66 ILE H . . 3.500 2.805 2.229 3.091 . 0 0 "[ . 1 . 2]" 1
462 1 65 ASN QB 1 66 ILE HA . . 5.240 4.370 4.112 4.590 . 0 0 "[ . 1 . 2]" 1
463 1 66 ILE H 1 67 SER H . . 4.740 4.348 4.119 4.518 . 0 0 "[ . 1 . 2]" 1
464 1 66 ILE HA 1 67 SER H . . 3.010 2.409 2.258 2.615 . 0 0 "[ . 1 . 2]" 1
465 1 66 ILE HA 1 67 SER HA . . 4.870 4.560 4.492 4.664 . 0 0 "[ . 1 . 2]" 1
466 1 66 ILE HA 1 70 ASN QB . . 5.390 11.262 10.877 11.608 6.218 20 20 [*******-***********+] 1
467 1 67 SER H 1 68 GLU H . . 5.010 4.151 3.834 4.472 . 0 0 "[ . 1 . 2]" 1
468 1 67 SER H 1 70 ASN H . . 4.800 8.458 7.983 8.688 3.888 20 20 [*************-*****+] 1
469 1 67 SER H 1 70 ASN QB . . 4.230 9.158 8.753 9.388 5.158 20 20 [*******-***********+] 1
470 1 67 SER HA 1 68 GLU H . . 2.890 2.228 2.128 2.324 . 0 0 "[ . 1 . 2]" 1
471 1 67 SER HA 1 69 GLU H . . 4.470 6.291 6.099 6.488 2.018 17 20 [********-*******+***] 1
472 1 68 GLU H 1 68 GLU HB2 . . 3.260 2.558 2.123 3.624 0.364 1 0 "[ . 1 . 2]" 1
473 1 68 GLU H 1 68 GLU HB3 . . 3.200 3.190 2.647 3.679 0.479 3 0 "[ . 1 . 2]" 1
474 1 68 GLU H 1 69 GLU H . . 3.530 4.632 4.561 4.754 1.224 17 20 [**-*************+***] 1
475 1 68 GLU H 1 70 ASN H . . 5.010 5.689 4.839 5.986 0.976 18 18 "[** **** ***-*****+**]" 1
476 1 68 GLU H 1 71 TYR H . . 5.230 4.528 4.031 4.853 . 0 0 "[ . 1 . 2]" 1
477 1 68 GLU HA 1 71 TYR H . . 3.730 4.846 4.602 5.174 1.444 3 20 [**+*********-*******] 1
478 1 68 GLU HA 1 71 TYR QB . . 3.390 4.761 4.417 5.925 2.535 3 20 [**+*********-*******] 1
479 1 68 GLU HA 1 72 LYS H . . 4.480 5.105 4.906 5.265 0.785 12 19 "[*** *******+*-******]" 1
480 1 68 GLU HB3 1 69 GLU H . . 3.680 3.304 2.376 3.946 0.266 8 0 "[ . 1 . 2]" 1
481 1 69 GLU H 1 69 GLU HB2 . . 2.790 2.309 1.961 2.578 . 0 0 "[ . 1 . 2]" 1
482 1 69 GLU H 1 69 GLU HB3 . . 3.170 2.667 2.331 3.100 . 0 0 "[ . 1 . 2]" 1
483 1 69 GLU H 1 69 GLU HG2 . . 4.550 4.469 4.337 4.595 0.045 14 0 "[ . 1 . 2]" 1
484 1 69 GLU H 1 69 GLU HG3 . . 4.100 4.363 3.926 4.509 0.409 1 0 "[ . 1 . 2]" 1
485 1 69 GLU H 1 70 ASN H . . 3.200 2.919 2.477 3.142 . 0 0 "[ . 1 . 2]" 1
486 1 69 GLU H 1 70 ASN QB . . 5.190 4.595 4.072 4.807 . 0 0 "[ . 1 . 2]" 1
487 1 69 GLU H 1 71 TYR H . . 5.140 4.410 4.100 4.772 . 0 0 "[ . 1 . 2]" 1
488 1 69 GLU HA 1 69 GLU HB2 . . 2.950 2.544 2.336 2.795 . 0 0 "[ . 1 . 2]" 1
489 1 69 GLU HA 1 69 GLU HG3 . . 3.220 2.694 2.157 3.396 0.176 18 0 "[ . 1 . 2]" 1
490 1 69 GLU HA 1 73 LYS H . . 4.880 3.970 3.664 4.321 . 0 0 "[ . 1 . 2]" 1
491 1 69 GLU HB2 1 69 GLU HG3 . . 2.910 2.632 2.190 3.050 0.140 1 0 "[ . 1 . 2]" 1
492 1 69 GLU HB2 1 70 ASN H . . 3.480 3.764 3.284 4.177 0.697 4 3 "[ +. -* . 2]" 1
493 1 69 GLU HB3 1 70 ASN H . . 3.360 2.576 2.324 3.027 . 0 0 "[ . 1 . 2]" 1
494 1 70 ASN H 1 70 ASN QB . . 3.120 2.099 1.992 2.199 . 0 0 "[ . 1 . 2]" 1
495 1 70 ASN H 1 71 TYR H . . 3.070 2.741 2.425 2.938 . 0 0 "[ . 1 . 2]" 1
496 1 70 ASN H 1 71 TYR QB . . 5.140 4.658 4.447 4.894 . 0 0 "[ . 1 . 2]" 1
497 1 70 ASN H 1 72 LYS H . . 4.840 4.155 3.759 4.368 . 0 0 "[ . 1 . 2]" 1
498 1 70 ASN HA 1 73 LYS H . . 3.770 3.888 3.584 4.172 0.402 2 0 "[ . 1 . 2]" 1
499 1 70 ASN HA 1 73 LYS HA . . 5.360 6.055 5.707 6.470 1.110 7 16 "[ * ***+****** *-***2]" 1
500 1 70 ASN HA 1 73 LYS QB . . 3.460 3.306 2.885 3.913 0.453 7 0 "[ . 1 . 2]" 1
501 1 70 ASN HA 1 73 LYS QG . . 5.030 4.339 3.893 5.057 0.027 10 0 "[ . 1 . 2]" 1
502 1 70 ASN QB 1 71 TYR H . . 4.190 2.579 2.241 3.075 . 0 0 "[ . 1 . 2]" 1
503 1 70 ASN QB 1 71 TYR HA . . 5.200 3.976 3.742 4.224 . 0 0 "[ . 1 . 2]" 1
504 1 70 ASN QB 1 73 LYS QB . . 5.440 5.176 4.767 5.702 0.262 7 0 "[ . 1 . 2]" 1
505 1 71 TYR H 1 71 TYR QB . . 3.010 2.320 2.161 2.793 . 0 0 "[ . 1 . 2]" 1
506 1 71 TYR H 1 72 LYS H . . 3.280 2.623 2.286 2.823 . 0 0 "[ . 1 . 2]" 1
507 1 71 TYR H 1 72 LYS HA . . 5.500 5.257 4.948 5.443 . 0 0 "[ . 1 . 2]" 1
508 1 71 TYR H 1 73 LYS H . . 4.960 4.468 4.140 4.724 . 0 0 "[ . 1 . 2]" 1
509 1 71 TYR HA 1 73 LYS H . . 4.900 4.811 4.537 4.968 0.068 14 0 "[ . 1 . 2]" 1
510 1 71 TYR HA 1 74 PHE H . . 4.380 3.479 3.199 3.648 . 0 0 "[ . 1 . 2]" 1
511 1 71 TYR HA 1 74 PHE HB2 . . 4.660 3.282 2.871 3.636 . 0 0 "[ . 1 . 2]" 1
512 1 71 TYR QB 1 72 LYS H . . 3.360 2.752 2.584 3.284 . 0 0 "[ . 1 . 2]" 1
513 1 71 TYR QB 1 72 LYS HA . . 5.500 3.899 3.674 4.268 . 0 0 "[ . 1 . 2]" 1
514 1 71 TYR QB 1 73 LYS H . . 5.270 5.054 4.857 5.468 0.198 3 0 "[ . 1 . 2]" 1
515 1 72 LYS H 1 72 LYS HB2 . . 3.050 2.506 2.392 2.633 . 0 0 "[ . 1 . 2]" 1
516 1 72 LYS H 1 72 LYS HB3 . . 3.640 2.579 2.485 2.674 . 0 0 "[ . 1 . 2]" 1
517 1 72 LYS H 1 73 LYS H . . 3.250 2.923 2.814 3.004 . 0 0 "[ . 1 . 2]" 1
518 1 72 LYS H 1 74 PHE H . . 4.580 4.062 3.869 4.335 . 0 0 "[ . 1 . 2]" 1
519 1 72 LYS HA 1 74 PHE H . . 5.010 4.272 3.939 4.608 . 0 0 "[ . 1 . 2]" 1
520 1 72 LYS HA 1 75 SER H . . 4.460 3.705 3.497 3.927 . 0 0 "[ . 1 . 2]" 1
521 1 72 LYS HB2 1 73 LYS H . . 3.430 3.734 3.621 3.857 0.427 15 0 "[ . 1 . 2]" 1
522 1 72 LYS HB3 1 73 LYS HA . . 5.160 4.296 4.158 4.410 . 0 0 "[ . 1 . 2]" 1
523 1 73 LYS H 1 73 LYS QB . . 2.990 2.416 2.173 2.615 . 0 0 "[ . 1 . 2]" 1
524 1 73 LYS H 1 73 LYS HD3 . . 4.620 4.725 3.712 5.477 0.857 10 1 "[ . + . 2]" 1
525 1 73 LYS H 1 73 LYS QG . . 4.640 2.261 2.009 3.033 . 0 0 "[ . 1 . 2]" 1
526 1 73 LYS H 1 74 PHE H . . 3.160 2.771 2.629 2.854 . 0 0 "[ . 1 . 2]" 1
527 1 73 LYS H 1 74 PHE HB2 . . 5.210 4.959 4.674 5.167 . 0 0 "[ . 1 . 2]" 1
528 1 73 LYS H 1 75 SER H . . 4.860 4.558 4.340 4.658 . 0 0 "[ . 1 . 2]" 1
529 1 73 LYS HA 1 73 LYS HE2 . . 5.500 5.295 4.670 6.141 0.641 18 2 "[ - . 1 . + 2]" 1
530 1 73 LYS HA 1 73 LYS QG . . 3.690 2.399 2.178 2.530 . 0 0 "[ . 1 . 2]" 1
531 1 73 LYS HA 1 75 SER H . . 5.260 4.708 4.285 4.969 . 0 0 "[ . 1 . 2]" 1
532 1 73 LYS QB 1 73 LYS HE2 . . 4.760 3.854 2.671 4.205 . 0 0 "[ . 1 . 2]" 1
533 1 73 LYS QB 1 74 PHE H . . 3.470 2.904 2.435 3.218 . 0 0 "[ . 1 . 2]" 1
534 1 73 LYS QB 1 74 PHE HB2 . . 4.830 4.222 3.852 4.485 . 0 0 "[ . 1 . 2]" 1
535 1 73 LYS QB 1 75 SER H . . 4.820 5.096 4.811 5.333 0.513 13 1 "[ . 1 + . 2]" 1
536 1 73 LYS HD2 1 73 LYS HE3 . . 3.000 2.474 2.243 3.051 0.051 2 0 "[ . 1 . 2]" 1
537 1 73 LYS QG 1 74 PHE H . . 5.370 4.286 3.922 4.571 . 0 0 "[ . 1 . 2]" 1
538 1 73 LYS QG 1 74 PHE HA . . 5.170 5.894 5.708 6.005 0.835 13 20 [*********-**+*******] 1
539 1 74 PHE H 1 74 PHE HB2 . . 3.200 2.457 2.277 2.654 . 0 0 "[ . 1 . 2]" 1
540 1 74 PHE H 1 74 PHE HB3 . . 3.620 2.494 2.316 2.732 . 0 0 "[ . 1 . 2]" 1
541 1 74 PHE H 1 75 SER H . . 3.180 2.671 2.373 3.053 . 0 0 "[ . 1 . 2]" 1
542 1 74 PHE HA 1 76 LYS H . . 5.500 4.636 4.324 4.922 . 0 0 "[ . 1 . 2]" 1
543 1 74 PHE HB2 1 75 SER H . . 3.970 3.773 3.551 3.917 . 0 0 "[ . 1 . 2]" 1
544 1 74 PHE HB3 1 75 SER H . . 4.370 2.458 2.216 2.745 . 0 0 "[ . 1 . 2]" 1
545 1 74 PHE HB3 1 75 SER HB3 . . 5.500 5.439 5.200 5.706 0.206 12 0 "[ . 1 . 2]" 1
546 1 75 SER H 1 75 SER HB2 . . 3.840 2.299 2.228 2.405 . 0 0 "[ . 1 . 2]" 1
547 1 75 SER H 1 75 SER HB3 . . 3.330 3.559 3.505 3.616 0.286 20 0 "[ . 1 . 2]" 1
548 1 75 SER H 1 76 LYS H . . 3.790 2.569 2.253 2.820 . 0 0 "[ . 1 . 2]" 1
549 1 75 SER HA 1 80 ILE H . . 5.500 8.121 7.805 8.591 3.091 16 20 [***-***********+****] 1
550 1 75 SER HB2 1 76 LYS H . . 5.450 3.248 3.028 3.604 . 0 0 "[ . 1 . 2]" 1
551 1 75 SER HB3 1 76 LYS H . . 5.430 3.834 3.676 4.084 . 0 0 "[ . 1 . 2]" 1
552 1 76 LYS H 1 76 LYS QB . . 3.550 2.367 2.144 2.579 . 0 0 "[ . 1 . 2]" 1
553 1 76 LYS H 1 77 LYS H . . 4.190 3.030 2.764 3.697 . 0 0 "[ . 1 . 2]" 1
554 1 76 LYS HA 1 76 LYS QB . . 2.700 2.242 2.154 2.472 . 0 0 "[ . 1 . 2]" 1
555 1 76 LYS HA 1 77 LYS QB . . 5.370 5.084 4.429 5.374 0.004 9 0 "[ . 1 . 2]" 1
556 1 76 LYS QB 1 77 LYS H . . 4.400 3.781 2.893 4.088 . 0 0 "[ . 1 . 2]" 1
557 1 76 LYS QB 1 77 LYS HA . . 4.870 4.620 4.221 4.954 0.084 8 0 "[ . 1 . 2]" 1
558 1 76 LYS QB 1 78 ILE H . . 5.500 5.154 4.709 6.129 0.629 17 1 "[ . 1 . + 2]" 1
559 1 77 LYS H 1 78 ILE H . . 2.970 3.008 1.769 4.259 1.289 14 4 "[ . 1 *+.*- 2]" 1
560 1 77 LYS HA 1 77 LYS QD . . 3.830 3.564 2.289 4.290 0.460 19 0 "[ . 1 . 2]" 1
561 1 77 LYS HA 1 77 LYS QG . . 3.460 2.558 2.101 3.492 0.032 7 0 "[ . 1 . 2]" 1
562 1 77 LYS HA 1 78 ILE H . . 3.530 3.231 2.097 3.612 0.082 11 0 "[ . 1 . 2]" 1
563 1 77 LYS QB 1 78 ILE H . . 3.950 3.273 2.426 3.961 0.011 20 0 "[ . 1 . 2]" 1
564 1 77 LYS QB 1 78 ILE HA . . 5.230 4.781 4.395 4.967 . 0 0 "[ . 1 . 2]" 1
565 1 77 LYS QD 1 77 LYS QG . . 2.490 2.042 1.979 2.123 . 0 0 "[ . 1 . 2]" 1
566 1 78 ILE H 1 79 GLU H . . 4.680 2.061 1.738 3.044 . 0 0 "[ . 1 . 2]" 1
567 1 78 ILE HA 1 79 GLU H . . 2.750 3.321 2.945 3.581 0.831 6 14 "[****.+** 1* *- ****]" 1
568 1 79 GLU H 1 80 ILE H . . 4.850 4.338 4.147 4.651 . 0 0 "[ . 1 . 2]" 1
569 1 79 GLU HA 1 80 ILE H . . 2.740 2.178 2.039 2.299 . 0 0 "[ . 1 . 2]" 1
570 1 80 ILE H 1 81 TYR H . . 4.610 4.559 4.312 4.724 0.114 18 0 "[ . 1 . 2]" 1
571 1 80 ILE HA 1 81 TYR H . . 2.870 2.280 2.150 2.435 . 0 0 "[ . 1 . 2]" 1
572 1 80 ILE HA 1 103 ILE H . . 5.500 8.597 8.150 9.274 3.774 3 20 [**+************-****] 1
573 1 81 TYR H 1 82 HIS H . . 5.230 4.406 4.211 4.633 . 0 0 "[ . 1 . 2]" 1
574 1 81 TYR H 1 103 ILE H . . 5.400 7.420 6.566 8.061 2.661 20 20 [*************-*****+] 1
575 1 81 TYR HA 1 82 HIS H . . 2.910 2.156 2.050 2.277 . 0 0 "[ . 1 . 2]" 1
576 1 81 TYR HA 1 82 HIS HA . . 4.570 4.446 4.399 4.496 . 0 0 "[ . 1 . 2]" 1
577 1 81 TYR HA 1 82 HIS QB . . 4.690 4.167 3.983 4.360 . 0 0 "[ . 1 . 2]" 1
578 1 81 TYR HA 1 102 LYS H . . 4.770 9.746 9.000 10.152 5.382 20 20 [**********-********+] 1
579 1 81 TYR HA 1 102 LYS HA . . 2.850 9.623 9.052 9.969 7.119 3 20 [**+*******-*********] 1
580 1 81 TYR HA 1 102 LYS QB . . 5.080 8.923 8.238 9.596 4.516 2 20 [*+******-***********] 1
581 1 81 TYR HA 1 103 ILE H . . 3.490 8.358 7.935 8.618 5.128 3 20 [**+**********-******] 1
582 1 82 HIS H 1 82 HIS QB . . 3.110 2.389 2.267 2.532 . 0 0 "[ . 1 . 2]" 1
583 1 82 HIS H 1 83 ALA H . . 4.850 4.484 4.422 4.598 . 0 0 "[ . 1 . 2]" 1
584 1 82 HIS H 1 100 LEU QB . . 4.970 10.861 10.440 11.352 6.382 3 20 [**+***********-*****] 1
585 1 82 HIS H 1 101 SER H . . 4.750 9.036 8.454 9.649 4.899 12 20 [***********+******-*] 1
586 1 82 HIS H 1 101 SER HA . . 4.910 8.566 8.250 8.863 3.953 3 20 [**+**********-******] 1
587 1 82 HIS H 1 101 SER QB . . 4.500 5.650 5.313 5.987 1.487 12 20 [***********+******-*] 1
588 1 82 HIS H 1 102 LYS HA . . 3.760 8.282 7.798 8.556 4.796 3 20 [**+*******-*********] 1
589 1 82 HIS H 1 103 ILE H . . 4.400 7.402 7.000 7.598 3.198 19 20 [*************-****+*] 1
590 1 82 HIS HA 1 82 HIS HD2 . . 3.210 3.297 3.116 3.969 0.759 10 1 "[ . + . 2]" 1
591 1 82 HIS HA 1 83 ALA H . . 2.680 2.273 2.201 2.443 . 0 0 "[ . 1 . 2]" 1
592 1 82 HIS HA 1 83 ALA HA . . 4.760 4.351 4.248 4.483 . 0 0 "[ . 1 . 2]" 1
593 1 82 HIS QB 1 82 HIS HD2 . . 3.740 2.326 2.207 2.473 . 0 0 "[ . 1 . 2]" 1
594 1 82 HIS QB 1 83 ALA H . . 4.370 2.647 2.364 2.920 . 0 0 "[ . 1 . 2]" 1
595 1 82 HIS QB 1 101 SER H . . 4.500 5.333 4.777 5.891 1.391 12 18 "[***********+*-.*** *]" 1
596 1 82 HIS QB 1 101 SER QB . . 3.910 2.437 2.120 2.791 . 0 0 "[ . 1 . 2]" 1
597 1 82 HIS QB 1 103 ILE H . . 5.500 5.486 5.166 5.702 0.202 13 0 "[ . 1 . 2]" 1
598 1 82 HIS QB 1 103 ILE HA . . 4.150 3.809 3.612 3.907 . 0 0 "[ . 1 . 2]" 1
599 1 82 HIS HD2 1 83 ALA H . . 3.840 3.827 3.486 5.844 2.004 10 1 "[ . + . 2]" 1
600 1 83 ALA H 1 84 GLU H . . 4.620 4.490 4.360 4.568 . 0 0 "[ . 1 . 2]" 1
601 1 83 ALA HA 1 84 GLU H . . 2.640 2.201 2.096 2.588 . 0 0 "[ . 1 . 2]" 1
602 1 83 ALA HA 1 84 GLU HA . . 4.550 4.438 4.361 4.602 0.052 18 0 "[ . 1 . 2]" 1
603 1 83 ALA HA 1 84 GLU HB2 . . 4.830 4.870 4.417 5.765 0.935 2 5 "[ + . ** - * 2]" 1
604 1 83 ALA HA 1 91 ASN QB . . 5.260 11.207 10.785 12.150 6.890 18 20 [****-************+**] 1
605 1 84 GLU H 1 84 GLU HB2 . . 3.350 2.823 2.395 3.646 0.296 2 0 "[ . 1 . 2]" 1
606 1 84 GLU H 1 84 GLU HB3 . . 3.500 3.130 2.334 3.667 0.167 3 0 "[ . 1 . 2]" 1
607 1 84 GLU H 1 85 GLY H . . 5.210 4.550 4.241 4.651 . 0 0 "[ . 1 . 2]" 1
608 1 84 GLU H 1 91 ASN HA . . 4.840 12.180 11.900 12.649 7.809 18 20 [****-************+**] 1
609 1 84 GLU HA 1 85 GLY H . . 3.230 2.193 1.983 2.363 . 0 0 "[ . 1 . 2]" 1
610 1 84 GLU HB2 1 85 GLY H . . 5.420 3.925 2.728 4.383 . 0 0 "[ . 1 . 2]" 1
611 1 84 GLU HB3 1 85 GLY H . . 5.100 3.619 2.604 4.442 . 0 0 "[ . 1 . 2]" 1
612 1 85 GLY H 1 86 ASP H . . 5.100 3.073 2.278 4.289 . 0 0 "[ . 1 . 2]" 1
613 1 86 ASP H 1 87 ASP H . . 2.900 4.355 4.139 4.649 1.749 18 20 [**********-******+**] 1
614 1 86 ASP H 1 87 ASP HA . . 4.970 4.962 4.480 6.045 1.075 18 1 "[ . 1 . + 2]" 1
615 1 86 ASP H 1 87 ASP QB . . 4.410 5.947 5.527 6.268 1.858 5 20 [****+*****-*********] 1
616 1 87 ASP H 1 87 ASP QB . . 3.000 2.374 2.002 2.726 . 0 0 "[ . 1 . 2]" 1
617 1 87 ASP H 1 88 VAL H . . 4.380 2.208 1.832 2.584 . 0 0 "[ . 1 . 2]" 1
618 1 87 ASP H 1 90 LYS QB . . 4.210 8.561 8.031 9.097 4.887 4 20 [***+*********-******] 1
619 1 87 ASP HA 1 88 VAL H . . 2.690 3.362 2.942 3.529 0.839 1 19 "[+********-** *******]" 1
620 1 87 ASP HA 1 88 VAL HA . . 4.990 4.794 4.590 4.963 . 0 0 "[ . 1 . 2]" 1
621 1 87 ASP HA 1 89 ASP H . . 4.150 5.049 4.864 5.078 0.928 11 20 [**********+******-**] 1
622 1 87 ASP HA 1 90 LYS H . . 5.170 7.480 7.297 7.675 2.505 2 20 [*+*******-**********] 1
623 1 87 ASP HA 1 90 LYS QB . . 5.500 8.825 8.626 9.070 3.570 2 20 [*+**********-*******] 1
624 1 87 ASP HA 1 91 ASN H . . 5.360 7.811 7.486 8.128 2.768 14 20 [*************+-*****] 1
625 1 87 ASP QB 1 88 VAL H . . 4.260 3.223 2.829 3.695 . 0 0 "[ . 1 . 2]" 1
626 1 87 ASP QB 1 89 ASP H . . 4.890 5.010 4.625 5.407 0.517 11 1 "[ . 1+ . 2]" 1
627 1 87 ASP QB 1 90 LYS H . . 3.940 7.118 6.704 7.534 3.594 11 20 [***-******+*********] 1
628 1 87 ASP QB 1 90 LYS QB . . 3.090 8.014 7.488 8.479 5.389 11 20 [**********+**-******] 1
629 1 87 ASP QB 1 91 ASN H . . 4.670 7.460 7.134 7.711 3.041 18 20 [********-********+**] 1
630 1 88 VAL H 1 89 ASP H . . 3.280 4.232 4.098 4.280 1.000 12 20 [***********+-*******] 1
631 1 88 VAL H 1 89 ASP HA . . 5.340 5.320 4.837 5.594 0.254 14 0 "[ . 1 . 2]" 1
632 1 88 VAL H 1 90 LYS H . . 4.860 5.610 5.468 5.762 0.902 2 20 [*+**********-*******] 1
633 1 88 VAL HA 1 89 ASP HA . . 4.830 4.527 4.462 4.590 . 0 0 "[ . 1 . 2]" 1
634 1 88 VAL HA 1 91 ASN H . . 3.950 4.263 4.091 4.463 0.513 14 1 "[ . 1 +. 2]" 1
635 1 88 VAL HA 1 91 ASN QB . . 3.610 4.478 4.336 4.717 1.107 3 20 [**+*******-*********] 1
636 1 89 ASP H 1 90 LYS H . . 3.030 2.836 2.624 2.940 . 0 0 "[ . 1 . 2]" 1
637 1 89 ASP H 1 90 LYS HA . . 5.500 5.383 5.202 5.420 . 0 0 "[ . 1 . 2]" 1
638 1 89 ASP H 1 90 LYS QB . . 4.270 4.806 4.589 5.055 0.785 11 13 "[***** -*+* *** *2]" 1
639 1 89 ASP H 1 91 ASN H . . 3.890 4.550 4.354 4.829 0.939 14 19 "[***** -******+******]" 1
640 1 89 ASP H 1 92 ILE H . . 5.470 4.835 4.645 4.983 . 0 0 "[ . 1 . 2]" 1
641 1 89 ASP HA 1 92 ILE H . . 3.700 3.457 3.135 3.584 . 0 0 "[ . 1 . 2]" 1
642 1 89 ASP HA 1 93 SER H . . 4.490 4.186 3.803 4.474 . 0 0 "[ . 1 . 2]" 1
643 1 90 LYS H 1 90 LYS QB . . 2.690 2.310 2.118 2.611 . 0 0 "[ . 1 . 2]" 1
644 1 90 LYS H 1 91 ASN H . . 3.200 2.664 2.553 2.926 . 0 0 "[ . 1 . 2]" 1
645 1 90 LYS HA 1 90 LYS QB . . 2.750 2.450 2.346 2.566 . 0 0 "[ . 1 . 2]" 1
646 1 90 LYS HA 1 93 SER H . . 4.070 3.365 3.044 3.678 . 0 0 "[ . 1 . 2]" 1
647 1 90 LYS HA 1 94 LEU HG . . 4.420 5.366 4.160 7.536 3.116 7 11 "[ *.*+*-** **. * *2]" 1
648 1 90 LYS QB 1 91 ASN H . . 3.230 2.683 2.356 2.869 . 0 0 "[ . 1 . 2]" 1
649 1 91 ASN H 1 91 ASN QB . . 3.040 2.205 2.121 2.336 . 0 0 "[ . 1 . 2]" 1
650 1 91 ASN HA 1 94 LEU H . . 3.510 3.769 3.417 4.049 0.539 11 1 "[ . 1+ . 2]" 1
651 1 91 ASN HA 1 94 LEU QB . . 3.150 4.163 3.877 4.685 1.535 17 20 [**************-*+***] 1
652 1 91 ASN HA 1 94 LEU HG . . 4.520 2.895 2.288 4.589 0.069 11 0 "[ . 1 . 2]" 1
653 1 91 ASN QB 1 92 ILE H . . 3.770 2.627 2.365 2.869 . 0 0 "[ . 1 . 2]" 1
654 1 91 ASN QB 1 93 SER H . . 5.500 4.743 4.643 4.881 . 0 0 "[ . 1 . 2]" 1
655 1 92 ILE H 1 93 SER H . . 2.930 2.584 2.472 2.734 . 0 0 "[ . 1 . 2]" 1
656 1 92 ILE H 1 93 SER HA . . 5.500 5.247 5.128 5.354 . 0 0 "[ . 1 . 2]" 1
657 1 92 ILE H 1 94 LEU H . . 4.020 4.314 4.140 4.585 0.565 11 2 "[ -. 1+ . 2]" 1
658 1 92 ILE H 1 95 PHE QB . . 5.500 5.054 4.752 5.312 . 0 0 "[ . 1 . 2]" 1
659 1 92 ILE HA 1 95 PHE H . . 3.970 3.449 3.123 3.583 . 0 0 "[ . 1 . 2]" 1
660 1 92 ILE HA 1 95 PHE QB . . 3.450 2.599 2.327 2.902 . 0 0 "[ . 1 . 2]" 1
661 1 92 ILE HA 1 96 ILE H . . 4.540 3.962 3.699 4.273 . 0 0 "[ . 1 . 2]" 1
662 1 93 SER H 1 93 SER HA . . 2.800 2.891 2.851 2.918 0.118 19 0 "[ . 1 . 2]" 1
663 1 93 SER H 1 94 LEU H . . 3.130 2.654 2.550 2.725 . 0 0 "[ . 1 . 2]" 1
664 1 93 SER H 1 94 LEU HG . . 5.500 4.693 3.759 5.986 0.486 11 0 "[ . 1 . 2]" 1
665 1 94 LEU H 1 94 LEU QB . . 3.270 2.612 2.279 2.847 . 0 0 "[ . 1 . 2]" 1
666 1 94 LEU H 1 94 LEU HG . . 2.940 2.617 1.878 3.698 0.758 11 4 "[ .** 1+ . - 2]" 1
667 1 94 LEU H 1 95 PHE QB . . 5.340 4.694 4.473 5.005 . 0 0 "[ . 1 . 2]" 1
668 1 94 LEU H 1 97 GLU H . . 5.500 5.013 4.786 5.431 . 0 0 "[ . 1 . 2]" 1
669 1 94 LEU HA 1 94 LEU HG . . 3.430 3.724 3.516 4.034 0.604 19 5 "[ *. -* . * +2]" 1
670 1 94 LEU HA 1 97 GLU H . . 3.770 3.567 3.354 3.907 0.137 14 0 "[ . 1 . 2]" 1
671 1 94 LEU HA 1 99 GLU H . . 4.220 6.689 6.377 6.924 2.704 9 20 [******-*+***********] 1
672 1 94 LEU QB 1 95 PHE H . . 3.720 3.480 3.175 3.730 0.010 15 0 "[ . 1 . 2]" 1
673 1 94 LEU QB 1 99 GLU H . . 4.430 7.259 6.814 7.591 3.161 3 20 [**+***-*************] 1
674 1 94 LEU QB 1 100 LEU H . . 3.890 7.449 7.127 7.997 4.107 9 20 [********+*********-*] 1
675 1 94 LEU QB 1 100 LEU HA . . 5.310 9.363 9.033 9.955 4.645 9 20 [********+*********-*] 1
676 1 95 PHE H 1 95 PHE QB . . 3.030 2.344 2.219 2.395 . 0 0 "[ . 1 . 2]" 1
677 1 95 PHE H 1 97 GLU H . . 5.220 4.388 4.180 4.627 . 0 0 "[ . 1 . 2]" 1
678 1 95 PHE HA 1 96 ILE HA . . 4.960 4.802 4.707 4.868 . 0 0 "[ . 1 . 2]" 1
679 1 95 PHE HA 1 98 GLY H . . 4.120 3.710 3.522 3.840 . 0 0 "[ . 1 . 2]" 1
680 1 95 PHE HA 1 99 GLU H . . 4.390 4.574 4.138 4.945 0.555 17 1 "[ . 1 . + 2]" 1
681 1 95 PHE HA 1 100 LEU H . . 3.710 3.730 3.504 4.102 0.392 9 0 "[ . 1 . 2]" 1
682 1 95 PHE HA 1 100 LEU QB . . 4.590 2.651 2.356 3.181 . 0 0 "[ . 1 . 2]" 1
683 1 95 PHE QB 1 96 ILE H . . 3.410 2.584 2.429 2.824 . 0 0 "[ . 1 . 2]" 1
684 1 95 PHE QB 1 100 LEU H . . 5.240 3.846 3.254 4.125 . 0 0 "[ . 1 . 2]" 1
685 1 96 ILE H 1 97 GLU H . . 3.270 2.816 2.575 3.079 . 0 0 "[ . 1 . 2]" 1
686 1 96 ILE H 1 98 GLY H . . 4.800 4.383 4.080 4.798 . 0 0 "[ . 1 . 2]" 1
687 1 96 ILE HA 1 98 GLY H . . 4.690 4.493 4.222 4.889 0.199 17 0 "[ . 1 . 2]" 1
688 1 97 GLU H 1 99 GLU H . . 4.350 3.976 3.782 4.293 . 0 0 "[ . 1 . 2]" 1
689 1 97 GLU HA 1 99 GLU H . . 5.500 4.127 3.852 4.474 . 0 0 "[ . 1 . 2]" 1
690 1 98 GLY H 1 99 GLU H . . 3.060 2.627 2.468 2.831 . 0 0 "[ . 1 . 2]" 1
691 1 98 GLY H 1 100 LEU H . . 3.960 3.869 3.731 4.101 0.141 15 0 "[ . 1 . 2]" 1
692 1 99 GLU H 1 100 LEU H . . 3.010 2.400 2.031 2.622 . 0 0 "[ . 1 . 2]" 1
693 1 99 GLU H 1 100 LEU HA . . 5.490 5.036 4.718 5.214 . 0 0 "[ . 1 . 2]" 1
694 1 100 LEU H 1 100 LEU QB . . 3.650 1.954 1.780 2.169 . 0 0 "[ . 1 . 2]" 1
695 1 100 LEU H 1 101 SER H . . 4.750 2.661 2.317 2.992 . 0 0 "[ . 1 . 2]" 1
696 1 100 LEU HA 1 101 SER H . . 2.710 3.506 3.431 3.606 0.896 12 20 [***********+**-*****] 1
697 1 100 LEU HA 1 101 SER QB . . 4.040 5.458 5.379 5.552 1.512 11 20 [**********+****-****] 1
698 1 100 LEU QB 1 101 SER H . . 3.470 3.011 2.581 3.265 . 0 0 "[ . 1 . 2]" 1
699 1 101 SER H 1 101 SER QB . . 2.990 2.478 2.393 2.597 . 0 0 "[ . 1 . 2]" 1
700 1 101 SER H 1 102 LYS H . . 4.550 4.642 4.381 4.784 0.234 7 0 "[ . 1 . 2]" 1
701 1 101 SER HA 1 102 LYS H . . 2.720 2.181 2.034 2.387 . 0 0 "[ . 1 . 2]" 1
702 1 101 SER HA 1 102 LYS HA . . 4.880 4.373 4.238 4.495 . 0 0 "[ . 1 . 2]" 1
703 1 101 SER QB 1 102 LYS H . . 3.250 2.895 2.582 3.300 0.050 14 0 "[ . 1 . 2]" 1
704 1 101 SER QB 1 102 LYS QB . . 5.210 4.400 4.088 4.957 . 0 0 "[ . 1 . 2]" 1
705 1 102 LYS H 1 102 LYS QB . . 3.030 2.219 2.002 2.530 . 0 0 "[ . 1 . 2]" 1
706 1 102 LYS HA 1 103 ILE H . . 2.850 2.208 2.087 2.410 . 0 0 "[ . 1 . 2]" 1
707 1 102 LYS QB 1 103 ILE H . . 3.650 3.143 2.595 3.346 . 0 0 "[ . 1 . 2]" 1
708 1 103 ILE H 1 104 SER H . . 5.060 4.562 4.444 4.659 . 0 0 "[ . 1 . 2]" 1
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