NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571071 |
2mek   |
19523 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mek
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 942
_Distance_constraint_stats_list.Viol_count 7576
_Distance_constraint_stats_list.Viol_total 67001.102
_Distance_constraint_stats_list.Viol_max 4.780
_Distance_constraint_stats_list.Viol_rms 0.3402
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1778
_Distance_constraint_stats_list.Viol_average_violations_only 0.4422
_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 MET 0.357 0.055 5 0 "[ . 1 . 2]"
1 2 ALA 11.559 0.374 2 0 "[ . 1 . 2]"
1 3 PHE 11.163 0.404 1 0 "[ . 1 . 2]"
1 4 LEU 84.805 1.175 2 20 [*+*************-****]
1 5 VAL 74.405 1.383 5 20 [****+************-**]
1 6 GLN 20.030 1.147 7 18 "[****.*+*-**** ******]"
1 7 VAL 93.778 1.822 8 20 [*-*****+************]
1 8 ALA 59.047 0.889 2 20 [*+***-**************]
1 9 ALA 154.787 1.446 9 20 [********+*****-*****]
1 10 ASP 41.626 0.989 10 20 [*********+***-******]
1 11 ILE 40.589 1.649 16 20 [*******-*******+****]
1 14 ASN 16.888 1.155 14 14 "[* * .*** ****+.** -*]"
1 15 LYS 1.520 0.145 6 0 "[ . 1 . 2]"
1 16 VAL 110.004 1.369 14 20 [*************+-*****]
1 17 ASN 52.482 0.889 2 20 [*+***-**************]
1 18 PHE 133.031 2.517 2 20 [*+***************-**]
1 19 GLU 7.804 0.257 19 0 "[ . 1 . 2]"
1 20 LEU 60.030 1.383 5 20 [****+***************]
1 21 SER 51.559 0.980 18 20 [**********-******+**]
1 22 PHE 56.224 1.106 8 20 [*-*****+************]
1 27 SER 67.929 1.570 17 20 [****************+-**]
1 28 ILE 390.405 4.335 5 20 [****+************-**]
1 29 SER 31.398 1.146 10 20 [***-*****+**********]
1 30 GLU 96.141 2.194 4 20 [***+*****-**********]
1 31 LEU 187.943 4.780 9 20 [******-*+***********]
1 32 THR 97.677 1.329 5 20 [****+*-*************]
1 33 ARG 74.641 2.194 4 20 [***+*********-******]
1 34 SER 15.996 0.543 16 7 "[ *. -** .+ **]"
1 35 ALA 45.827 0.932 4 20 [***+****************]
1 36 GLU 103.861 1.446 15 20 [************-*+*****]
1 37 THR 35.576 0.928 10 20 [****-****+**********]
1 38 ALA 64.019 0.812 1 20 [+******-************]
1 39 PHE 85.590 1.446 9 20 [******-*+***********]
1 40 SER 29.556 0.871 10 20 [*********+**********]
1 41 ASN 41.527 0.814 13 19 "[******** ***+-******]"
1 42 GLU 19.906 0.814 13 6 "[* . *** + - 2]"
1 43 ILE 80.834 1.691 19 20 [*****************-+*]
1 44 SER 28.364 0.776 16 20 [***************+*-**]
1 45 LEU 20.752 0.369 14 0 "[ . 1 . 2]"
1 46 ARG 45.402 0.923 12 20 [***-*******+********]
1 47 ARG 28.504 1.076 18 19 "[-**** ***********+**]"
1 49 ASP 5.556 0.592 14 3 "[ . - 1 +. *]"
1 50 ASN 18.728 0.756 16 11 "[ ****-1 * **+ **]"
1 51 VAL 50.795 1.200 6 20 [-****+**************]
1 52 PRO 23.222 1.200 6 20 [*****+*-************]
1 53 SER 22.002 1.018 7 17 "[***** +*******-** *2]"
1 54 HIS 14.619 0.848 4 13 "[ **+* **** * -** *2]"
1 55 LYS 24.396 0.910 1 20 [+*******************]
1 56 PHE 16.562 0.910 1 20 [+**************-****]
1 57 HIS 12.843 0.523 1 1 "[+ . 1 . 2]"
1 58 SER 28.104 0.734 5 20 [****+*********-*****]
1 59 SER 23.300 0.651 2 1 "[ + . 1 . 2]"
1 60 LYS 15.483 0.651 2 2 "[ + . 1 - 2]"
1 61 ILE 60.055 1.924 9 20 [******-*+***********]
1 62 LYS 70.560 1.117 15 20 [*-************+*****]
1 63 MET 80.581 2.896 5 20 [****+*****-*********]
1 64 TYR 119.078 1.997 19 20 [*-****************+*]
1 65 ASP 44.903 0.792 5 20 [**-*+***************]
1 66 GLU 33.615 0.757 8 20 [****-**+************]
1 67 GLU 51.330 1.099 20 20 [*****************-*+]
1 68 LEU 115.656 1.296 19 20 [*-****************+*]
1 69 ASN 34.724 0.387 14 0 "[ . 1 . 2]"
1 70 LYS 6.608 0.280 5 0 "[ . 1 . 2]"
1 71 TRP 123.845 1.997 19 20 [-*****************+*]
1 72 VAL 93.134 1.067 5 20 [****+********-******]
1 73 ASP 31.498 0.872 5 20 [****+********-******]
1 74 LEU 94.422 4.780 9 20 [********+**-********]
1 75 ILE 100.493 3.027 5 20 [****+*************-*]
1 76 ARG 100.012 2.151 15 20 [**************+***-*]
1 77 GLU 38.231 1.600 7 19 "[*-* **+*************]"
1 78 ASP 53.230 2.273 5 19 "[* *-+***************]"
1 79 GLN 52.780 2.331 2 20 [*+*-****************]
1 80 LEU 50.839 4.335 5 20 [****+************-**]
1 81 THR 77.343 1.806 7 20 [******+*********-***]
1 82 ASP 26.653 1.438 5 7 "[ * +-** * *. 2]"
1 83 TYR 37.786 1.119 14 11 "[ ** **** * +* * -]"
1 84 CYS 96.113 1.806 7 20 [******+*********-***]
1 85 GLN 30.348 0.593 2 17 "[ +***-****** ***** *]"
1 86 LEU 91.336 1.539 9 20 [***-****+***********]
1 87 TYR 64.555 1.376 9 20 [*-******+***********]
1 88 VAL 153.728 1.822 8 20 [*******+******-*****]
1 89 PHE 95.669 1.444 8 20 [****-**+************]
1 90 GLN 45.797 1.444 8 20 [*******+******-*****]
1 93 ASN 6.114 0.673 11 3 "[ . 1+- . * 2]"
1 94 GLU 4.870 0.488 15 0 "[ . 1 . 2]"
1 95 TRP 40.595 0.600 9 15 "[ * *-***+*** * ****]"
1 96 HIS 19.783 1.276 6 1 "[ .+ 1 . 2]"
1 97 LYS 11.840 1.276 6 3 "[ .+ 1 . * -]"
1 98 GLU 2.550 0.192 12 0 "[ . 1 . 2]"
1 99 SER 0.533 0.218 9 0 "[ . 1 . 2]"
1 100 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 5.659 0.519 12 1 "[ . 1 + . 2]"
1 102 GLU 23.271 1.370 15 6 "[ .-* 1 * *+ * 2]"
1 103 ILE 64.478 2.426 13 20 [**-*********+*******]
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ALA 48.288 2.426 13 17 "[** *********+** *- *]"
1 107 MET 34.565 1.839 19 15 "[*** *****1 -**.* *+*]"
1 108 LYS 18.899 0.643 2 7 "[ + .** -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 MET HA 1 2 ALA H 2.816 2.112 3.520 2.841 2.248 3.575 0.055 5 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 2 ALA H 3.456 2.592 4.320 2.830 2.635 3.846 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 2 ALA HA 2.530 . 3.162 2.982 2.965 2.992 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 2 ALA MB 2.961 2.679 3.367 2.362 2.305 2.586 0.374 2 0 "[ . 1 . 2]" 1
5 1 2 ALA H 1 3 PHE H 3.646 3.109 4.557 4.573 4.427 4.608 0.051 14 0 "[ . 1 . 2]" 1
6 1 2 ALA H 1 4 LEU QD 4.018 3.014 5.022 4.063 3.959 4.108 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 3 PHE H 2.910 2.182 3.638 2.264 2.255 2.271 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 3 PHE H 3.046 2.726 3.807 2.899 2.892 2.904 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE H 1 3 PHE HA 3.624 2.718 4.530 3.023 3.017 3.028 . 0 0 "[ . 1 . 2]" 1
10 1 3 PHE H 1 3 PHE QB 3.464 2.598 4.330 2.600 2.570 2.632 0.028 11 0 "[ . 1 . 2]" 1
11 1 3 PHE H 1 3 PHE QE 3.924 2.943 4.905 4.618 4.606 4.659 . 0 0 "[ . 1 . 2]" 1
12 1 3 PHE H 1 4 LEU H 3.979 2.984 4.919 4.525 4.444 4.560 . 0 0 "[ . 1 . 2]" 1
13 1 3 PHE H 1 21 SER HA 4.124 3.093 5.155 5.317 5.201 5.421 0.266 8 0 "[ . 1 . 2]" 1
14 1 3 PHE H 1 21 SER QB 3.973 2.980 4.966 4.784 4.665 4.902 . 0 0 "[ . 1 . 2]" 1
15 1 3 PHE H 1 22 PHE QB 3.292 2.469 4.115 3.618 3.477 3.706 . 0 0 "[ . 1 . 2]" 1
16 1 3 PHE HA 1 4 LEU H 2.901 2.176 3.626 2.327 2.252 2.376 . 0 0 "[ . 1 . 2]" 1
17 1 3 PHE QB 1 4 LEU H 3.766 2.824 4.708 3.234 3.194 3.342 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU H 1 4 LEU HA 3.708 2.781 4.635 2.965 2.953 2.977 . 0 0 "[ . 1 . 2]" 1
19 1 4 LEU H 1 4 LEU QB . 3.538 3.922 3.182 3.148 3.254 0.390 18 0 "[ . 1 . 2]" 1
20 1 4 LEU H 1 4 LEU QD 3.324 3.113 4.155 2.105 1.938 2.183 1.175 2 20 [*+**-***************] 1
21 1 4 LEU H 1 5 VAL H 4.219 3.164 5.125 4.487 4.435 4.520 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU H 1 21 SER HA 4.335 3.251 5.419 4.904 4.869 4.997 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU H 1 22 PHE QB 3.872 2.904 4.840 4.931 4.699 5.310 0.470 2 0 "[ . 1 . 2]" 1
24 1 4 LEU H 1 83 TYR HA 4.051 3.038 5.064 3.642 3.201 4.600 . 0 0 "[ . 1 . 2]" 1
25 1 4 LEU H 1 83 TYR QE 4.591 3.443 5.739 4.559 4.164 5.376 . 0 0 "[ . 1 . 2]" 1
26 1 4 LEU H 1 83 TYR H 4.349 3.262 5.436 5.262 4.248 5.673 0.237 3 0 "[ . 1 . 2]" 1
27 1 4 LEU HA 1 5 VAL H 3.033 2.275 3.791 2.159 2.113 2.199 0.162 2 0 "[ . 1 . 2]" 1
28 1 4 LEU QB 1 5 VAL H 3.346 2.509 4.183 2.787 2.683 2.889 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL H 1 5 VAL HA 3.609 2.707 4.511 3.013 3.003 3.026 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL H 1 5 VAL HB 3.881 3.287 4.851 3.994 3.953 4.037 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 5 VAL QG 3.436 2.924 4.149 2.348 2.316 2.394 0.608 4 20 [-**+****************] 1
32 1 5 VAL H 1 20 LEU QB 3.959 2.969 4.949 4.071 3.858 4.205 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL H 1 20 LEU HG 3.237 2.428 4.046 4.057 3.768 4.215 0.169 6 0 "[ . 1 . 2]" 1
34 1 5 VAL H 1 20 LEU H 3.523 2.868 4.404 3.858 3.702 4.028 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL H 1 21 SER HA 3.660 2.745 4.575 3.120 2.974 3.209 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL H 1 21 SER QB 3.825 2.869 4.781 4.667 4.565 4.907 0.126 14 0 "[ . 1 . 2]" 1
37 1 5 VAL H 1 21 SER H 4.771 3.578 5.601 4.767 4.660 4.843 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL H 1 22 PHE QB 4.705 3.529 5.881 5.062 4.920 5.462 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL H 1 22 PHE QD 3.935 2.951 4.919 4.995 4.679 5.228 0.309 9 0 "[ . 1 . 2]" 1
40 1 5 VAL H 1 22 PHE QE 4.323 3.242 5.404 5.439 5.221 5.560 0.156 9 0 "[ . 1 . 2]" 1
41 1 5 VAL HA 1 6 GLN H 2.703 2.027 3.379 2.313 2.241 2.485 . 0 0 "[ . 1 . 2]" 1
42 1 6 GLN H 1 6 GLN HA 3.809 2.857 4.761 3.040 3.019 3.053 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLN H 1 7 VAL H 3.797 3.269 4.746 4.562 4.502 4.634 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN H 1 85 GLN HA 4.060 3.045 5.075 3.185 2.853 3.711 0.192 8 0 "[ . 1 . 2]" 1
45 1 6 GLN HA 1 7 VAL H 3.232 2.424 4.040 2.333 2.289 2.383 0.135 16 0 "[ . 1 . 2]" 1
46 1 7 VAL H 1 7 VAL HA 3.649 2.737 4.561 2.923 2.894 2.947 . 0 0 "[ . 1 . 2]" 1
47 1 7 VAL H 1 7 VAL HB 3.621 3.300 4.526 3.727 3.021 4.041 0.279 14 0 "[ . 1 . 2]" 1
48 1 7 VAL H 1 7 VAL QG 3.193 2.646 3.991 2.409 2.219 2.855 0.427 16 0 "[ . 1 . 2]" 1
49 1 7 VAL H 1 8 ALA H 4.432 3.324 5.220 4.341 4.282 4.394 . 0 0 "[ . 1 . 2]" 1
50 1 7 VAL H 1 17 ASN HA 4.361 3.271 5.451 5.114 4.622 5.374 . 0 0 "[ . 1 . 2]" 1
51 1 7 VAL H 1 18 PHE QB 4.675 3.506 5.844 3.766 3.502 4.362 0.004 18 0 "[ . 1 . 2]" 1
52 1 7 VAL H 1 20 LEU H 4.225 3.169 5.260 4.773 4.599 5.010 . 0 0 "[ . 1 . 2]" 1
53 1 7 VAL H 1 86 LEU HA 4.561 3.421 5.701 7.090 6.959 7.240 1.539 9 20 [********+-**********] 1
54 1 7 VAL H 1 88 VAL QG 3.708 2.781 4.635 6.322 5.616 6.457 1.822 8 20 [*-*****+************] 1
55 1 7 VAL HA 1 8 ALA H 3.479 2.609 4.349 2.192 2.169 2.230 0.440 16 0 "[ . 1 . 2]" 1
56 1 7 VAL HB 1 8 ALA H 3.734 2.801 4.667 3.208 2.961 3.969 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL QG 1 8 ALA H 3.396 2.547 4.245 3.319 2.607 3.586 . 0 0 "[ . 1 . 2]" 1
58 1 8 ALA H 1 8 ALA MB 3.512 2.891 4.390 2.680 2.639 2.711 0.252 15 0 "[ . 1 . 2]" 1
59 1 8 ALA H 1 9 ALA H 3.923 3.078 4.904 4.529 4.498 4.580 . 0 0 "[ . 1 . 2]" 1
60 1 8 ALA H 1 17 ASN HA 4.648 3.486 5.810 5.325 5.062 5.452 . 0 0 "[ . 1 . 2]" 1
61 1 8 ALA H 1 86 LEU QB 4.133 3.100 5.166 3.251 2.727 3.507 0.373 9 0 "[ . 1 . 2]" 1
62 1 8 ALA H 1 87 TYR HA 3.983 2.987 4.979 3.041 2.869 3.249 0.118 2 0 "[ . 1 . 2]" 1
63 1 8 ALA HA 1 9 ALA H 3.046 3.016 3.807 2.451 2.362 2.498 0.654 2 20 [*+*-****************] 1
64 1 8 ALA MB 1 9 ALA H 3.069 2.530 3.836 2.549 2.492 3.033 0.038 20 0 "[ . 1 . 2]" 1
65 1 9 ALA H 1 9 ALA HA 3.628 2.989 4.535 2.925 2.898 2.971 0.091 19 0 "[ . 1 . 2]" 1
66 1 9 ALA H 1 9 ALA MB 3.410 2.729 4.263 2.666 2.471 2.813 0.258 9 0 "[ . 1 . 2]" 1
67 1 9 ALA H 1 16 VAL HA 4.494 3.370 5.618 4.977 4.900 5.159 . 0 0 "[ . 1 . 2]" 1
68 1 9 ALA H 1 16 VAL HB 3.830 2.873 4.787 4.940 4.870 5.097 0.310 2 0 "[ . 1 . 2]" 1
69 1 9 ALA H 1 16 VAL QG 4.120 3.373 4.579 2.113 2.004 2.444 1.369 14 20 [*************+***-**] 1
70 1 9 ALA H 1 16 VAL H 3.669 2.844 4.586 3.076 2.872 3.343 . 0 0 "[ . 1 . 2]" 1
71 1 9 ALA H 1 17 ASN HA 3.633 2.725 4.541 4.466 4.199 4.633 0.092 15 0 "[ . 1 . 2]" 1
72 1 9 ALA H 1 18 PHE H 3.956 2.967 4.945 5.794 5.542 5.976 1.031 15 20 [**************+**-**] 1
73 1 9 ALA H 1 39 PHE QE 3.775 2.831 4.719 4.450 3.632 4.654 . 0 0 "[ . 1 . 2]" 1
74 1 9 ALA H 1 39 PHE HZ 3.918 2.938 4.898 6.001 5.480 6.344 1.446 9 20 [*-******+***********] 1
75 1 9 ALA H 1 87 TYR HA 4.234 3.176 5.292 4.933 4.766 5.387 0.095 2 0 "[ . 1 . 2]" 1
76 1 9 ALA H 1 87 TYR QE 4.557 3.418 5.696 4.699 3.825 5.567 . 0 0 "[ . 1 . 2]" 1
77 1 9 ALA H 1 88 VAL QG 3.861 2.896 4.826 4.727 3.926 4.874 0.048 7 0 "[ . 1 . 2]" 1
78 1 9 ALA HA 1 10 ASP H 3.571 2.678 4.464 2.301 2.262 2.356 0.416 19 0 "[ . 1 . 2]" 1
79 1 9 ALA MB 1 10 ASP H 3.545 2.659 4.431 2.349 2.118 2.505 0.541 2 1 "[ + . 1 . 2]" 1
80 1 10 ASP H 1 10 ASP HA 3.639 2.729 4.549 2.997 2.964 3.054 . 0 0 "[ . 1 . 2]" 1
81 1 10 ASP H 1 10 ASP HB3 3.841 3.601 4.801 3.309 2.926 3.902 0.675 2 7 "[ + . *** -* * 2]" 1
82 1 10 ASP H 1 10 ASP HB2 3.781 3.560 4.726 3.589 2.988 4.046 0.572 15 2 "[ . - 1 + 2]" 1
83 1 10 ASP H 1 39 PHE QD 4.787 3.590 5.984 6.057 5.725 6.434 0.450 4 0 "[ . 1 . 2]" 1
84 1 10 ASP H 1 87 TYR HA 4.303 3.227 5.379 6.199 6.086 6.368 0.989 10 20 [*********+*****-****] 1
85 1 10 ASP H 1 87 TYR QE 4.532 3.399 5.665 3.834 2.936 4.271 0.463 2 0 "[ . 1 . 2]" 1
86 1 10 ASP H 1 88 VAL QG 4.782 3.586 5.978 4.199 3.883 4.402 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE H 1 11 ILE HB 3.543 2.657 4.429 3.514 2.714 4.026 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE H 1 11 ILE MG 4.097 3.073 5.121 2.928 2.423 4.209 0.650 3 9 "[ *+ .**- 1 ** . * *2]" 1
89 1 11 ILE MG 1 14 ASN H 4.505 3.379 5.631 3.751 2.224 5.000 1.155 14 3 "[ . - * +. 2]" 1
90 1 14 ASN H 1 14 ASN HA 3.242 2.431 4.053 2.993 2.975 3.017 . 0 0 "[ . 1 . 2]" 1
91 1 14 ASN H 1 14 ASN QB 3.023 2.267 3.779 2.726 2.644 3.181 . 0 0 "[ . 1 . 2]" 1
92 1 14 ASN H 1 16 VAL QG 4.381 3.286 5.476 5.328 4.529 5.951 0.475 18 0 "[ . 1 . 2]" 1
93 1 14 ASN H 1 16 VAL H 4.573 3.430 5.716 6.281 5.775 6.625 0.909 16 11 "[* * .** 1*** .+* -*]" 1
94 1 14 ASN HA 1 15 LYS H 2.875 2.156 3.594 2.243 2.134 2.434 0.022 2 0 "[ . 1 . 2]" 1
95 1 14 ASN QB 1 15 LYS H 3.265 2.449 4.081 2.991 2.446 3.774 0.003 19 0 "[ . 1 . 2]" 1
96 1 15 LYS H 1 15 LYS HA 3.347 2.510 4.184 2.981 2.959 2.995 . 0 0 "[ . 1 . 2]" 1
97 1 15 LYS H 1 16 VAL H 4.356 3.267 5.380 4.220 3.969 4.399 . 0 0 "[ . 1 . 2]" 1
98 1 8 ALA HA 1 16 VAL H 4.549 3.412 5.686 4.897 4.748 5.270 . 0 0 "[ . 1 . 2]" 1
99 1 9 ALA MB 1 16 VAL H 4.575 3.431 5.719 3.390 2.931 4.478 0.500 15 1 "[ . 1 + 2]" 1
100 1 15 LYS HA 1 16 VAL H 3.113 2.335 3.891 2.260 2.190 2.320 0.145 6 0 "[ . 1 . 2]" 1
101 1 16 VAL H 1 16 VAL HB 3.191 3.189 3.989 3.720 2.885 3.999 0.304 18 0 "[ . 1 . 2]" 1
102 1 16 VAL H 1 16 VAL QG 3.716 3.012 4.399 2.167 1.962 2.295 1.050 18 20 [-****************+**] 1
103 1 16 VAL H 1 17 ASN H 4.238 3.179 5.283 4.653 4.536 4.694 . 0 0 "[ . 1 . 2]" 1
104 1 16 VAL H 1 39 PHE QE 4.677 3.508 5.846 5.854 5.485 6.909 1.063 9 2 "[ . +1 . - 2]" 1
105 1 16 VAL H 1 107 MET ME 4.170 3.127 5.213 4.631 4.405 5.119 . 0 0 "[ . 1 . 2]" 1
106 1 8 ALA HA 1 17 ASN H 4.172 3.129 5.215 4.936 4.833 5.144 . 0 0 "[ . 1 . 2]" 1
107 1 8 ALA MB 1 17 ASN H 3.757 2.818 4.696 4.671 4.415 4.829 0.133 13 0 "[ . 1 . 2]" 1
108 1 16 VAL HA 1 17 ASN H . 2.909 3.601 2.278 2.202 2.326 0.707 2 20 [*+**************-***] 1
109 1 16 VAL HB 1 17 ASN H 3.344 3.090 4.180 3.296 2.930 4.475 0.295 18 0 "[ . 1 . 2]" 1
110 1 16 VAL QG 1 17 ASN H 3.406 2.884 4.258 3.293 2.643 3.533 0.241 2 0 "[ . 1 . 2]" 1
111 1 17 ASN H 1 17 ASN HA 3.779 2.834 4.724 2.987 2.957 3.003 . 0 0 "[ . 1 . 2]" 1
112 1 17 ASN H 1 17 ASN QB 3.526 2.644 4.141 2.751 2.628 2.845 0.016 13 0 "[ . 1 . 2]" 1
113 1 17 ASN H 1 18 PHE H 4.131 3.363 5.164 4.174 4.099 4.300 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL QG 1 18 PHE H 3.422 2.567 4.277 3.838 3.307 4.731 0.454 13 0 "[ . 1 . 2]" 1
115 1 17 ASN HA 1 18 PHE H 3.333 2.500 4.166 2.196 2.103 2.242 0.397 9 0 "[ . 1 . 2]" 1
116 1 18 PHE H 1 18 PHE HA 3.629 2.722 4.536 3.010 2.995 3.037 . 0 0 "[ . 1 . 2]" 1
117 1 18 PHE H 1 18 PHE QB 3.855 3.602 4.819 2.630 2.481 2.678 1.121 18 20 [**********-******+**] 1
118 1 18 PHE H 1 18 PHE QE 5.092 3.819 6.365 5.690 5.346 5.890 . 0 0 "[ . 1 . 2]" 1
119 1 18 PHE H 1 18 PHE HZ 4.106 3.080 5.132 7.417 7.036 7.649 2.517 2 20 [*+******-***********] 1
120 1 18 PHE H 1 19 GLU H 4.241 3.181 5.301 4.518 4.475 4.607 . 0 0 "[ . 1 . 2]" 1
121 1 18 PHE H 1 106 ALA MB 3.521 2.641 4.401 4.185 3.665 5.008 0.607 5 2 "[ +- 1 . 2]" 1
122 1 18 PHE HA 1 19 GLU H 3.303 2.477 4.129 2.266 2.220 2.317 0.257 19 0 "[ . 1 . 2]" 1
123 1 18 PHE QB 1 19 GLU H 4.012 3.009 5.015 3.018 2.855 3.227 0.154 18 0 "[ . 1 . 2]" 1
124 1 19 GLU H 1 19 GLU HA 3.601 2.701 4.501 2.997 2.976 3.009 . 0 0 "[ . 1 . 2]" 1
125 1 19 GLU H 1 20 LEU H 4.295 3.274 5.369 4.394 4.276 4.557 . 0 0 "[ . 1 . 2]" 1
126 1 4 LEU HA 1 20 LEU H 4.426 3.319 5.533 5.474 5.329 5.604 0.071 14 0 "[ . 1 . 2]" 1
127 1 6 GLN HA 1 20 LEU H 3.757 2.818 4.696 3.131 2.941 3.389 . 0 0 "[ . 1 . 2]" 1
128 1 19 GLU HA 1 20 LEU H 3.131 2.348 3.914 2.205 2.181 2.233 0.167 11 0 "[ . 1 . 2]" 1
129 1 20 LEU H 1 20 LEU HA 3.250 2.437 4.063 3.016 3.012 3.020 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU H 1 20 LEU QD 3.728 3.179 4.660 4.218 4.205 4.230 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU H 1 20 LEU HG 3.613 3.236 4.516 4.540 4.483 4.588 0.072 14 0 "[ . 1 . 2]" 1
132 1 20 LEU H 1 21 SER H 4.195 3.146 5.244 4.456 4.388 4.501 . 0 0 "[ . 1 . 2]" 1
133 1 4 LEU HA 1 21 SER H 4.364 3.273 5.455 4.917 4.860 4.994 . 0 0 "[ . 1 . 2]" 1
134 1 4 LEU QB 1 21 SER H 3.778 2.833 4.723 4.832 4.751 4.905 0.182 18 0 "[ . 1 . 2]" 1
135 1 4 LEU QD 1 21 SER H 3.378 2.533 4.223 4.878 4.779 5.133 0.910 8 20 [*******+**-*********] 1
136 1 20 LEU HA 1 21 SER H 2.840 2.130 3.550 2.249 2.215 2.287 . 0 0 "[ . 1 . 2]" 1
137 1 20 LEU QB 1 21 SER H . 3.860 4.419 3.804 3.736 3.846 0.124 18 0 "[ . 1 . 2]" 1
138 1 20 LEU QD 1 21 SER H 3.236 2.900 4.045 2.077 1.920 2.178 0.980 18 20 [****-************+**] 1
139 1 21 SER H 1 21 SER HA 3.543 2.657 4.429 2.942 2.931 2.951 . 0 0 "[ . 1 . 2]" 1
140 1 21 SER H 1 21 SER QB 3.002 2.805 3.752 3.049 2.783 3.168 0.022 14 0 "[ . 1 . 2]" 1
141 1 21 SER H 1 22 PHE QD 3.959 2.969 4.949 4.469 4.321 4.837 . 0 0 "[ . 1 . 2]" 1
142 1 21 SER H 1 22 PHE H 3.636 3.244 4.545 4.342 4.234 4.373 . 0 0 "[ . 1 . 2]" 1
143 1 4 LEU HA 1 22 PHE H 3.958 2.969 4.947 2.771 2.647 2.958 0.322 11 0 "[ . 1 . 2]" 1
144 1 4 LEU QD 1 22 PHE H 3.539 2.654 4.424 3.374 3.228 3.451 . 0 0 "[ . 1 . 2]" 1
145 1 4 LEU H 1 22 PHE H 4.657 3.493 5.821 4.790 4.697 4.877 . 0 0 "[ . 1 . 2]" 1
146 1 5 VAL H 1 22 PHE H 4.439 3.329 5.549 4.232 4.068 4.439 . 0 0 "[ . 1 . 2]" 1
147 1 21 SER HA 1 22 PHE H 3.165 2.374 3.956 2.133 2.123 2.152 0.251 9 0 "[ . 1 . 2]" 1
148 1 21 SER QB 1 22 PHE H 3.256 3.070 4.070 3.097 2.927 3.285 0.143 14 0 "[ . 1 . 2]" 1
149 1 22 PHE H 1 22 PHE HA 3.744 2.808 4.680 2.968 2.955 2.979 . 0 0 "[ . 1 . 2]" 1
150 1 22 PHE H 1 22 PHE QB 3.547 3.282 4.434 2.273 2.203 2.385 1.079 11 20 [*-********+*********] 1
151 1 22 PHE H 1 22 PHE QD 3.839 2.879 4.799 3.471 3.294 3.650 . 0 0 "[ . 1 . 2]" 1
152 1 22 PHE H 1 22 PHE QE 3.392 2.544 4.240 5.291 5.081 5.346 1.106 8 20 [*-*****+************] 1
153 1 22 PHE QD 1 27 SER H 4.256 3.192 5.320 5.124 4.622 5.467 0.147 9 0 "[ . 1 . 2]" 1
154 1 22 PHE QE 1 27 SER H 4.361 3.271 5.451 4.558 3.682 5.067 . 0 0 "[ . 1 . 2]" 1
155 1 27 SER H 1 27 SER HA 3.623 2.717 4.529 3.030 3.017 3.040 . 0 0 "[ . 1 . 2]" 1
156 1 27 SER H 1 27 SER QB . 3.548 4.237 2.646 2.623 2.712 0.925 10 20 [*-*******+**********] 1
157 1 27 SER H 1 28 ILE H 4.235 3.304 5.294 4.612 4.586 4.639 . 0 0 "[ . 1 . 2]" 1
158 1 27 SER H 1 30 GLU QG 3.674 2.756 4.592 2.978 2.192 4.405 0.564 2 1 "[ + . 1 . 2]" 1
159 1 27 SER H 1 31 LEU H 4.107 3.080 5.134 6.214 5.648 6.704 1.570 17 20 [*-**************+***] 1
160 1 27 SER HA 1 28 ILE H 3.271 2.453 4.089 2.435 2.373 2.531 0.080 17 0 "[ . 1 . 2]" 1
161 1 27 SER QB 1 28 ILE H 3.614 3.251 4.517 2.727 2.620 2.765 0.631 7 12 "[** ** +*** *.**- 2]" 1
162 1 28 ILE H 1 28 ILE HB 3.164 2.939 3.955 2.730 2.624 2.958 0.315 15 0 "[ . 1 . 2]" 1
163 1 28 ILE H 1 28 ILE MD 3.684 2.855 4.605 4.045 4.018 4.071 . 0 0 "[ . 1 . 2]" 1
164 1 28 ILE H 1 28 ILE QG 3.538 3.208 4.373 4.270 4.239 4.313 . 0 0 "[ . 1 . 2]" 1
165 1 28 ILE H 1 28 ILE MG 3.292 2.932 4.115 2.111 1.979 2.195 0.953 4 20 [***+**********-*****] 1
166 1 28 ILE H 1 31 LEU H 4.822 3.617 6.004 5.479 5.241 5.638 . 0 0 "[ . 1 . 2]" 1
167 1 28 ILE H 1 77 GLU QB 3.834 2.876 4.792 4.544 2.867 5.488 0.696 7 1 "[ . + 1 . 2]" 1
168 1 28 ILE H 1 29 SER H 4.019 3.014 5.024 2.642 2.559 2.706 0.455 1 0 "[ . 1 . 2]" 1
169 1 29 SER H 1 29 SER HA 3.127 2.345 3.909 2.849 2.841 2.864 . 0 0 "[ . 1 . 2]" 1
170 1 29 SER H 1 29 SER QB 3.292 3.132 4.115 2.563 2.547 2.580 0.585 5 20 [***-+***************] 1
171 1 28 ILE MD 1 30 GLU H 4.825 3.619 6.031 3.716 3.664 3.893 . 0 0 "[ . 1 . 2]" 1
172 1 28 ILE QG 1 30 GLU H 3.879 2.909 4.849 5.445 5.264 5.554 0.705 15 17 "[ * *****-****+*****]" 1
173 1 28 ILE MG 1 30 GLU H 3.847 2.885 4.809 4.390 4.249 4.528 . 0 0 "[ . 1 . 2]" 1
174 1 28 ILE H 1 30 GLU H 4.639 3.479 5.799 4.168 3.923 4.328 . 0 0 "[ . 1 . 2]" 1
175 1 29 SER HA 1 30 GLU H 4.946 3.709 6.183 3.410 3.382 3.448 0.327 7 0 "[ . 1 . 2]" 1
176 1 30 GLU H 1 30 GLU QB 3.181 2.386 3.976 2.336 2.056 2.465 0.330 10 0 "[ . 1 . 2]" 1
177 1 30 GLU H 1 30 GLU QG 3.277 2.888 4.096 2.748 2.255 4.055 0.633 14 13 "[ * ** 1***+***-**]" 1
178 1 30 GLU H 1 31 LEU H 3.422 2.699 4.278 2.631 2.577 2.676 0.122 2 0 "[ . 1 . 2]" 1
179 1 30 GLU H 1 33 ARG HE 4.625 3.469 5.781 6.737 5.772 7.975 2.194 4 12 "[ * +*- * *****.** 2]" 1
180 1 22 PHE QE 1 31 LEU H 4.806 3.605 6.007 5.189 4.893 5.559 . 0 0 "[ . 1 . 2]" 1
181 1 28 ILE HA 1 31 LEU H 3.662 2.747 4.577 3.240 3.128 3.344 . 0 0 "[ . 1 . 2]" 1
182 1 28 ILE MD 1 31 LEU H 4.482 3.362 5.602 2.690 2.550 2.912 0.812 11 19 "[******* -*+*********]" 1
183 1 30 GLU QG 1 31 LEU H 3.880 3.306 4.850 4.191 3.882 4.371 . 0 0 "[ . 1 . 2]" 1
184 1 31 LEU H 1 31 LEU QB 3.245 3.161 3.970 2.240 2.188 2.314 0.973 8 20 [***-***+************] 1
185 1 31 LEU H 1 31 LEU QD 3.202 3.007 4.003 3.887 3.803 3.917 . 0 0 "[ . 1 . 2]" 1
186 1 31 LEU H 1 31 LEU HG 3.832 3.432 4.790 4.012 3.780 4.864 0.074 4 0 "[ . 1 . 2]" 1
187 1 31 LEU H 1 33 ARG H 4.282 3.212 5.352 4.263 3.978 4.393 . 0 0 "[ . 1 . 2]" 1
188 1 28 ILE MD 1 32 THR H 4.614 3.461 5.767 2.840 2.611 3.222 0.850 9 18 "[ ***** *+**-********]" 1
189 1 31 LEU HA 1 32 THR H 3.882 2.912 4.852 3.586 3.563 3.619 . 0 0 "[ . 1 . 2]" 1
190 1 31 LEU QB 1 32 THR H 3.524 2.643 4.405 3.054 2.476 3.223 0.167 4 0 "[ . 1 . 2]" 1
191 1 31 LEU QD 1 32 THR H 3.213 2.410 4.016 3.355 3.211 3.558 . 0 0 "[ . 1 . 2]" 1
192 1 31 LEU HG 1 32 THR H 3.911 2.933 4.889 2.724 2.431 4.813 0.502 7 1 "[ . + 1 . 2]" 1
193 1 32 THR H 1 32 THR HG1 3.225 2.847 4.031 1.590 1.518 1.810 1.329 5 20 [****+**-************] 1
194 1 32 THR H 1 33 ARG H 3.653 2.740 4.156 2.827 2.626 2.912 0.114 11 0 "[ . 1 . 2]" 1
195 1 30 GLU HA 1 33 ARG H 3.448 2.586 4.310 4.091 3.709 4.337 0.027 8 0 "[ . 1 . 2]" 1
196 1 31 LEU QD 1 33 ARG H 3.664 2.748 4.580 4.914 4.730 5.097 0.517 8 1 "[ . + 1 . 2]" 1
197 1 32 THR HA 1 33 ARG H . 3.715 4.525 3.661 3.593 3.701 0.122 5 0 "[ . 1 . 2]" 1
198 1 32 THR HG1 1 33 ARG H 3.266 2.945 4.082 2.994 2.597 3.760 0.348 8 0 "[ . 1 . 2]" 1
199 1 33 ARG H 1 33 ARG QD 3.766 3.042 4.708 3.393 2.547 4.340 0.495 15 0 "[ . 1 . 2]" 1
200 1 33 ARG H 1 33 ARG HE 4.584 3.438 5.730 4.503 4.129 4.884 . 0 0 "[ . 1 . 2]" 1
201 1 33 ARG H 1 35 ALA H 4.202 3.152 5.252 4.560 4.387 4.672 . 0 0 "[ . 1 . 2]" 1
202 1 31 LEU HA 1 34 SER H 2.949 2.212 3.686 3.737 3.488 3.822 0.136 18 0 "[ . 1 . 2]" 1
203 1 32 THR H 1 34 SER H 3.862 2.896 4.828 4.281 4.198 4.392 . 0 0 "[ . 1 . 2]" 1
204 1 33 ARG QD 1 34 SER H 3.562 2.672 4.452 2.719 2.205 3.870 0.467 17 0 "[ . 1 . 2]" 1
205 1 33 ARG HE 1 34 SER H 3.550 2.662 4.438 2.665 2.394 3.301 0.268 8 0 "[ . 1 . 2]" 1
206 1 34 SER H 1 34 SER HA 2.551 . 3.189 2.869 2.843 2.891 . 0 0 "[ . 1 . 2]" 1
207 1 34 SER H 1 35 ALA H 3.221 2.424 4.026 2.877 2.758 2.949 . 0 0 "[ . 1 . 2]" 1
208 1 34 SER H 1 36 GLU H 4.141 3.106 5.176 4.431 4.299 4.494 . 0 0 "[ . 1 . 2]" 1
209 1 7 VAL QG 1 35 ALA H 3.594 2.695 4.493 3.337 3.108 3.496 . 0 0 "[ . 1 . 2]" 1
210 1 31 LEU QD 1 35 ALA H 3.322 2.491 4.153 3.523 3.411 3.648 . 0 0 "[ . 1 . 2]" 1
211 1 34 SER HA 1 35 ALA H 2.969 2.227 3.711 3.647 3.613 3.668 . 0 0 "[ . 1 . 2]" 1
212 1 35 ALA H 1 35 ALA MB 2.851 2.669 3.564 2.175 2.054 2.231 0.615 14 7 "[ * -. * *+* *2]" 1
213 1 35 ALA H 1 36 GLU QG 4.020 3.015 5.025 4.160 4.077 4.246 . 0 0 "[ . 1 . 2]" 1
214 1 35 ALA H 1 36 GLU H 3.413 2.610 4.266 2.697 2.649 2.747 . 0 0 "[ . 1 . 2]" 1
215 1 35 ALA H 1 37 THR H 4.081 3.061 4.921 4.005 3.887 4.088 . 0 0 "[ . 1 . 2]" 1
216 1 35 ALA H 1 38 ALA H 4.424 3.318 4.920 4.583 4.499 4.706 . 0 0 "[ . 1 . 2]" 1
217 1 35 ALA H 1 39 PHE HZ 4.255 3.191 5.319 5.997 5.780 6.251 0.932 4 18 "[***+*****-** ******]" 1
218 1 32 THR HG1 1 36 GLU H 3.764 2.823 4.705 4.874 4.341 5.126 0.421 16 0 "[ . 1 . 2]" 1
219 1 32 THR H 1 36 GLU H 4.670 3.502 5.838 6.068 5.921 6.331 0.493 4 0 "[ . 1 . 2]" 1
220 1 33 ARG HE 1 36 GLU H 4.713 3.535 5.891 6.486 6.004 7.304 1.413 19 8 "[- * . * *1 * *+*]" 1
221 1 33 ARG H 1 36 GLU H 4.261 3.196 5.326 5.134 5.017 5.235 . 0 0 "[ . 1 . 2]" 1
222 1 35 ALA HA 1 36 GLU H 3.777 2.833 4.721 3.650 3.633 3.669 . 0 0 "[ . 1 . 2]" 1
223 1 35 ALA MB 1 36 GLU H 3.247 3.084 4.059 2.483 2.423 2.604 0.661 8 18 "[*******+*1**- ******]" 1
224 1 36 GLU H 1 36 GLU QG . 3.476 3.821 2.082 2.030 2.160 1.446 15 20 [*-************+*****] 1
225 1 36 GLU H 1 37 THR H 3.533 2.650 4.348 2.636 2.564 2.704 0.086 7 0 "[ . 1 . 2]" 1
226 1 36 GLU H 1 38 ALA H 4.501 3.376 5.346 3.985 3.919 4.040 . 0 0 "[ . 1 . 2]" 1
227 1 36 GLU H 1 39 PHE QE 4.709 3.532 5.886 4.874 4.784 5.019 . 0 0 "[ . 1 . 2]" 1
228 1 36 GLU H 1 58 SER H 4.677 3.618 5.846 6.073 5.919 6.345 0.499 16 0 "[ . 1 . 2]" 1
229 1 34 SER H 1 37 THR H 4.248 3.186 5.310 4.800 4.648 4.916 . 0 0 "[ . 1 . 2]" 1
230 1 35 ALA MB 1 37 THR H 3.845 2.884 4.806 4.404 4.332 4.461 . 0 0 "[ . 1 . 2]" 1
231 1 36 GLU QG 1 37 THR H 3.331 2.927 4.164 4.098 4.044 4.141 . 0 0 "[ . 1 . 2]" 1
232 1 37 THR H 1 37 THR HG1 3.180 2.524 3.975 2.002 1.596 2.921 0.928 10 14 "[* *-* **+ * ******2]" 1
233 1 37 THR H 1 38 ALA H 3.308 2.481 3.984 2.491 2.446 2.569 0.035 14 0 "[ . 1 . 2]" 1
234 1 37 THR H 1 39 PHE H 4.157 3.118 5.196 4.460 4.365 4.569 . 0 0 "[ . 1 . 2]" 1
235 1 34 SER H 1 38 ALA H 4.504 3.378 5.630 6.097 6.026 6.173 0.543 16 7 "[ *. -** .+ **]" 1
236 1 35 ALA HA 1 38 ALA H 3.711 2.783 4.639 3.316 3.240 3.505 . 0 0 "[ . 1 . 2]" 1
237 1 35 ALA MB 1 38 ALA H . 4.037 4.771 4.424 4.367 4.525 . 0 0 "[ . 1 . 2]" 1
238 1 36 GLU QG 1 38 ALA H 3.868 2.901 4.835 5.503 5.465 5.574 0.739 2 20 [-+******************] 1
239 1 37 THR HB 1 38 ALA H 2.943 2.207 3.679 3.596 3.077 3.843 0.164 9 0 "[ . 1 . 2]" 1
240 1 37 THR HG1 1 38 ALA H 3.186 2.903 3.983 2.799 2.309 3.819 0.594 15 11 "[* **- * * *+ ***2]" 1
241 1 38 ALA H 1 38 ALA MB 2.767 2.626 3.459 2.453 2.401 2.474 0.225 5 0 "[ . 1 . 2]" 1
242 1 38 ALA H 1 39 PHE QD 4.350 3.263 5.437 4.533 4.405 4.662 . 0 0 "[ . 1 . 2]" 1
243 1 38 ALA H 1 39 PHE H 3.339 2.580 4.174 2.873 2.822 2.954 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL QG 1 39 PHE H 3.979 2.984 4.974 3.741 3.566 4.472 . 0 0 "[ . 1 . 2]" 1
245 1 35 ALA HA 1 39 PHE H 4.068 3.051 5.085 4.632 4.357 4.906 . 0 0 "[ . 1 . 2]" 1
246 1 35 ALA MB 1 39 PHE H 4.060 3.045 5.075 5.033 4.776 5.254 0.179 8 0 "[ . 1 . 2]" 1
247 1 38 ALA HA 1 39 PHE H 3.465 2.599 4.331 3.621 3.601 3.641 . 0 0 "[ . 1 . 2]" 1
248 1 38 ALA MB 1 39 PHE H 3.050 2.844 3.812 2.503 2.448 2.550 0.396 5 0 "[ . 1 . 2]" 1
249 1 39 PHE H 1 39 PHE HA 3.442 2.582 4.302 2.947 2.931 2.983 . 0 0 "[ . 1 . 2]" 1
250 1 39 PHE H 1 39 PHE QD 3.493 2.620 4.366 2.259 2.091 2.443 0.529 20 2 "[ . 1- . +]" 1
251 1 39 PHE H 1 39 PHE QE 4.103 3.077 5.129 3.679 3.593 3.758 . 0 0 "[ . 1 . 2]" 1
252 1 39 PHE H 1 39 PHE HZ 3.722 2.792 4.652 5.021 4.838 5.156 0.504 7 1 "[ . + 1 . 2]" 1
253 1 39 PHE H 1 40 SER H 3.473 2.706 4.341 2.748 2.697 2.810 0.009 10 0 "[ . 1 . 2]" 1
254 1 39 PHE H 1 41 ASN H 3.720 2.969 4.650 4.074 4.007 4.129 . 0 0 "[ . 1 . 2]" 1
255 1 37 THR HG1 1 40 SER H 4.312 3.234 5.390 4.584 4.422 4.709 . 0 0 "[ . 1 . 2]" 1
256 1 38 ALA H 1 40 SER H 4.421 3.316 5.526 4.156 3.948 4.297 . 0 0 "[ . 1 . 2]" 1
257 1 39 PHE QB 1 40 SER H 3.752 2.814 4.580 2.773 2.650 3.019 0.164 15 0 "[ . 1 . 2]" 1
258 1 39 PHE QD 1 40 SER H 4.357 3.268 5.446 4.238 3.890 4.422 . 0 0 "[ . 1 . 2]" 1
259 1 40 SER H 1 40 SER HA 3.294 2.470 4.118 2.878 2.863 2.899 . 0 0 "[ . 1 . 2]" 1
260 1 40 SER H 1 40 SER QB . 3.516 4.190 2.755 2.645 2.818 0.871 10 20 [**-******+**********] 1
261 1 40 SER H 1 41 ASN H 3.360 2.605 4.200 2.614 2.531 2.703 0.074 14 0 "[ . 1 . 2]" 1
262 1 40 SER H 1 42 GLU H 4.539 3.465 5.674 4.119 4.011 4.191 . 0 0 "[ . 1 . 2]" 1
263 1 37 THR HG1 1 41 ASN H 3.975 2.981 4.969 4.651 4.029 5.267 0.298 14 0 "[ . 1 . 2]" 1
264 1 38 ALA MB 1 41 ASN H 3.807 2.855 4.759 4.774 4.657 5.055 0.296 8 0 "[ . 1 . 2]" 1
265 1 38 ALA H 1 41 ASN H 4.583 3.437 5.729 4.803 4.666 4.875 . 0 0 "[ . 1 . 2]" 1
266 1 39 PHE QB 1 41 ASN H 3.758 2.917 4.698 4.692 4.656 4.765 0.067 9 0 "[ . 1 . 2]" 1
267 1 39 PHE QD 1 41 ASN H 4.585 3.439 5.731 5.538 5.437 5.703 . 0 0 "[ . 1 . 2]" 1
268 1 40 SER HA 1 41 ASN H 3.438 2.578 4.298 3.568 3.552 3.579 . 0 0 "[ . 1 . 2]" 1
269 1 40 SER QB 1 41 ASN H . 3.508 3.951 2.922 2.868 3.037 0.640 3 19 "[**+***** -**********]" 1
270 1 41 ASN H 1 41 ASN HA 3.141 2.356 3.926 2.965 2.938 2.985 . 0 0 "[ . 1 . 2]" 1
271 1 41 ASN H 1 41 ASN QB 3.252 3.030 3.985 2.588 2.463 2.786 0.567 18 3 "[ * 1 -. + 2]" 1
272 1 41 ASN H 1 42 GLU H 3.496 2.622 4.364 2.534 2.479 2.629 0.143 12 0 "[ . 1 . 2]" 1
273 1 41 ASN H 1 44 SER H 4.301 3.226 5.376 4.799 4.696 4.942 . 0 0 "[ . 1 . 2]" 1
274 1 39 PHE QD 1 42 GLU H 4.170 3.128 5.212 5.559 5.300 5.866 0.654 9 4 "[ . *+* - 2]" 1
275 1 40 SER QB 1 42 GLU H 3.931 2.948 4.914 4.805 4.751 4.855 . 0 0 "[ . 1 . 2]" 1
276 1 41 ASN QB 1 42 GLU H . 3.967 4.479 3.574 3.153 3.749 0.814 13 2 "[- . 1 + . 2]" 1
277 1 42 GLU H 1 42 GLU HA 3.191 2.393 3.989 2.905 2.888 2.934 . 0 0 "[ . 1 . 2]" 1
278 1 42 GLU H 1 43 ILE H 3.704 2.942 4.630 2.776 2.683 2.831 0.259 1 0 "[ . 1 . 2]" 1
279 1 42 GLU H 1 44 SER H 4.085 3.064 4.953 4.310 4.174 4.464 . 0 0 "[ . 1 . 2]" 1
280 1 39 PHE QB 1 43 ILE H 3.610 2.708 4.512 4.694 4.500 4.930 0.418 1 0 "[ . 1 . 2]" 1
281 1 40 SER QB 1 43 ILE H 3.970 2.977 4.963 4.689 4.556 4.806 . 0 0 "[ . 1 . 2]" 1
282 1 41 ASN H 1 43 ILE H 4.393 3.295 5.491 4.168 4.059 4.281 . 0 0 "[ . 1 . 2]" 1
283 1 43 ILE H 1 43 ILE HA 3.623 2.717 4.529 2.917 2.906 2.927 . 0 0 "[ . 1 . 2]" 1
284 1 43 ILE H 1 43 ILE HB . 3.406 4.151 2.704 2.612 2.801 0.794 8 20 [***-***+************] 1
285 1 43 ILE H 1 43 ILE MD 3.414 3.114 4.268 3.228 1.423 4.042 1.691 19 4 "[ * . 1 * . - +2]" 1
286 1 43 ILE H 1 43 ILE MG 3.432 3.149 4.290 3.993 3.965 4.009 . 0 0 "[ . 1 . 2]" 1
287 1 43 ILE H 1 44 SER H 3.449 2.706 4.311 2.805 2.743 2.890 . 0 0 "[ . 1 . 2]" 1
288 1 41 ASN HA 1 44 SER H 3.477 2.608 4.346 3.477 3.187 3.914 . 0 0 "[ . 1 . 2]" 1
289 1 43 ILE HB 1 44 SER H . 3.469 3.969 3.000 2.865 3.160 0.604 11 7 "[* * . *1+* . *- 2]" 1
290 1 43 ILE MD 1 44 SER H 3.720 2.790 4.650 4.657 3.534 5.032 0.382 14 0 "[ . 1 . 2]" 1
291 1 43 ILE MG 1 44 SER H 3.361 3.119 4.201 3.691 3.508 3.960 . 0 0 "[ . 1 . 2]" 1
292 1 44 SER H 1 44 SER HA 3.164 2.373 3.955 2.835 2.795 2.867 . 0 0 "[ . 1 . 2]" 1
293 1 42 GLU HA 1 45 LEU H 3.591 2.693 4.489 4.229 3.947 4.430 . 0 0 "[ . 1 . 2]" 1
294 1 43 ILE MG 1 45 LEU H 4.319 3.239 5.399 4.982 4.831 5.242 . 0 0 "[ . 1 . 2]" 1
295 1 43 ILE H 1 45 LEU H 4.599 3.449 5.749 4.445 4.298 4.575 . 0 0 "[ . 1 . 2]" 1
296 1 45 LEU H 1 45 LEU HA 3.132 2.349 3.915 2.930 2.903 2.979 . 0 0 "[ . 1 . 2]" 1
297 1 45 LEU H 1 45 LEU HB3 2.994 2.909 3.742 3.600 3.490 3.698 . 0 0 "[ . 1 . 2]" 1
298 1 45 LEU H 1 45 LEU HB2 3.148 2.361 3.935 2.290 2.187 2.442 0.174 3 0 "[ . 1 . 2]" 1
299 1 45 LEU H 1 45 LEU MD1 3.067 2.300 3.834 2.686 2.292 3.346 0.008 4 0 "[ . 1 . 2]" 1
300 1 45 LEU H 1 45 LEU HG 3.586 3.048 4.483 4.011 2.744 4.488 0.304 18 0 "[ . 1 . 2]" 1
301 1 45 LEU H 1 46 ARG H 3.469 2.602 4.151 2.592 2.468 2.825 0.134 6 0 "[ . 1 . 2]" 1
302 1 45 LEU HA 1 46 ARG H 3.620 2.715 4.525 3.527 3.436 3.606 . 0 0 "[ . 1 . 2]" 1
303 1 45 LEU HB3 1 46 ARG H 2.889 2.167 3.611 3.508 3.047 3.748 0.137 4 0 "[ . 1 . 2]" 1
304 1 45 LEU MD1 1 46 ARG H 3.577 2.683 4.471 4.483 4.197 4.716 0.245 14 0 "[ . 1 . 2]" 1
305 1 46 ARG H 1 46 ARG HA 3.390 2.542 4.238 2.672 2.253 3.023 0.289 4 0 "[ . 1 . 2]" 1
306 1 46 ARG H 1 46 ARG QB . 3.210 3.554 2.976 2.287 3.628 0.923 12 11 "[* * .-***1 + **** 2]" 1
307 1 46 ARG H 1 46 ARG QD 3.659 2.744 4.574 4.149 2.562 4.859 0.285 11 0 "[ . 1 . 2]" 1
308 1 46 ARG H 1 46 ARG HE 4.879 3.659 6.099 5.644 4.207 6.315 0.216 11 0 "[ . 1 . 2]" 1
309 1 46 ARG H 1 46 ARG QG 3.188 2.391 3.985 2.848 2.324 3.748 0.067 9 0 "[ . 1 . 2]" 1
310 1 46 ARG H 1 47 ARG H 3.143 2.357 3.795 3.596 2.975 4.092 0.297 20 0 "[ . 1 . 2]" 1
311 1 43 ILE MG 1 47 ARG H 3.879 2.909 4.849 4.075 3.755 4.587 . 0 0 "[ . 1 . 2]" 1
312 1 46 ARG HA 1 47 ARG H 3.519 2.639 4.399 2.930 2.168 3.681 0.471 10 0 "[ . 1 . 2]" 1
313 1 47 ARG H 1 47 ARG QB . 3.312 3.521 2.446 2.236 3.064 1.076 18 19 "[***** ***-*******+**]" 1
314 1 47 ARG H 1 47 ARG HE 4.070 3.053 5.087 4.981 3.053 5.757 0.670 11 1 "[ . 1+ . 2]" 1
315 1 47 ARG H 1 51 VAL QG 4.180 3.135 5.225 4.317 3.341 5.065 . 0 0 "[ . 1 . 2]" 1
316 1 49 ASP H 1 49 ASP HA 3.103 2.327 3.879 2.922 2.859 3.007 . 0 0 "[ . 1 . 2]" 1
317 1 49 ASP H 1 50 ASN H 3.850 2.994 4.813 4.007 2.632 4.660 0.362 6 0 "[ . 1 . 2]" 1
318 1 49 ASP H 1 51 VAL QG 4.254 3.190 5.318 3.794 3.069 4.366 0.121 6 0 "[ . 1 . 2]" 1
319 1 49 ASP H 1 51 VAL H 4.113 3.122 5.141 4.395 3.095 5.160 0.027 6 0 "[ . 1 . 2]" 1
320 1 49 ASP HA 1 50 ASN H 3.533 2.650 4.416 2.761 2.411 3.538 0.239 1 0 "[ . 1 . 2]" 1
321 1 50 ASN H 1 50 ASN HA 3.248 2.436 4.060 2.307 2.259 2.620 0.177 20 0 "[ . 1 . 2]" 1
322 1 50 ASN H 1 50 ASN HB3 3.438 3.398 4.297 3.940 3.631 3.978 . 0 0 "[ . 1 . 2]" 1
323 1 50 ASN H 1 50 ASN HB2 3.603 3.444 4.504 3.473 3.221 3.892 0.223 18 0 "[ . 1 . 2]" 1
324 1 50 ASN H 1 51 VAL QG 4.114 3.517 5.142 3.879 3.334 4.113 0.183 18 0 "[ . 1 . 2]" 1
325 1 50 ASN H 1 51 VAL H 3.612 2.709 4.241 2.741 2.537 3.013 0.172 6 0 "[ . 1 . 2]" 1
326 1 47 ARG HE 1 51 VAL H 4.214 3.160 5.268 5.394 4.748 5.779 0.511 1 1 "[+ . 1 . 2]" 1
327 1 50 ASN HA 1 51 VAL H 3.203 2.402 4.004 3.364 2.698 3.614 . 0 0 "[ . 1 . 2]" 1
328 1 50 ASN HB3 1 51 VAL H 3.444 2.583 4.305 3.434 2.735 4.395 0.090 18 0 "[ . 1 . 2]" 1
329 1 50 ASN HB2 1 51 VAL H 3.789 2.842 4.736 4.219 3.953 4.685 . 0 0 "[ . 1 . 2]" 1
330 1 51 VAL H 1 51 VAL HA 3.121 2.341 3.901 2.919 2.890 2.968 . 0 0 "[ . 1 . 2]" 1
331 1 51 VAL H 1 51 VAL HB . 3.058 3.589 3.748 3.666 3.821 0.232 9 0 "[ . 1 . 2]" 1
332 1 51 VAL H 1 51 VAL QG 2.985 2.732 3.731 2.108 1.990 2.233 0.742 7 19 "[******+-*** ********]" 1
333 1 51 VAL H 1 52 PRO QD 3.947 2.960 4.934 4.682 4.191 4.742 . 0 0 "[ . 1 . 2]" 1
334 1 52 PRO HA 1 53 SER H 3.144 2.358 3.930 2.305 2.214 2.391 0.144 9 0 "[ . 1 . 2]" 1
335 1 53 SER H 1 53 SER HA 3.016 2.262 3.770 2.886 2.652 3.024 . 0 0 "[ . 1 . 2]" 1
336 1 53 SER H 1 53 SER QB . 3.721 4.024 3.263 2.703 3.579 1.018 7 5 "[* . + 1 * *- 2]" 1
337 1 53 SER H 1 54 HIS H 4.218 3.164 5.272 3.807 2.833 4.428 0.331 7 0 "[ . 1 . 2]" 1
338 1 43 ILE MG 1 54 HIS H 3.571 2.678 4.464 3.649 2.361 4.061 0.317 18 0 "[ . 1 . 2]" 1
339 1 53 SER QB 1 54 HIS H 4.016 3.012 5.020 2.616 2.164 4.164 0.848 4 13 "[ **+* **** * -** *2]" 1
340 1 54 HIS H 1 54 HIS HA 2.919 2.189 3.649 2.341 2.256 2.960 . 0 0 "[ . 1 . 2]" 1
341 1 54 HIS H 1 54 HIS HD2 4.586 3.439 5.733 4.684 4.074 5.966 0.233 20 0 "[ . 1 . 2]" 1
342 1 54 HIS H 1 55 LYS H 3.599 3.086 4.499 3.615 2.885 4.746 0.247 1 0 "[ . 1 . 2]" 1
343 1 54 HIS HA 1 55 LYS H 2.971 2.228 3.714 3.183 2.253 3.659 . 0 0 "[ . 1 . 2]" 1
344 1 54 HIS QB 1 55 LYS H 3.281 2.461 4.101 2.946 2.092 4.054 0.369 1 0 "[ . 1 . 2]" 1
345 1 55 LYS H 1 55 LYS HA 3.608 2.706 4.510 2.975 2.917 2.997 . 0 0 "[ . 1 . 2]" 1
346 1 55 LYS HA 1 56 PHE H 4.352 3.264 5.440 2.442 2.354 2.494 0.910 1 20 [+**************-****] 1
347 1 55 LYS H 1 56 PHE H 4.065 3.049 5.081 4.583 4.254 4.759 . 0 0 "[ . 1 . 2]" 1
348 1 56 PHE H 1 56 PHE HA 3.999 2.999 4.999 2.993 2.965 3.006 0.034 9 0 "[ . 1 . 2]" 1
349 1 56 PHE H 1 57 HIS H 4.286 3.215 5.357 4.239 4.174 4.463 . 0 0 "[ . 1 . 2]" 1
350 1 55 LYS H 1 57 HIS H 4.986 3.739 6.233 6.511 6.334 6.756 0.523 1 1 "[+ . 1 . 2]" 1
351 1 57 HIS H 1 57 HIS HA 3.452 2.589 4.315 2.980 2.965 3.000 . 0 0 "[ . 1 . 2]" 1
352 1 57 HIS H 1 57 HIS HB3 . 3.443 4.203 3.448 3.234 3.653 0.209 1 0 "[ . 1 . 2]" 1
353 1 57 HIS H 1 57 HIS HB2 . 3.427 4.205 3.819 2.977 3.962 0.450 1 0 "[ . 1 . 2]" 1
354 1 57 HIS H 1 57 HIS HD2 3.927 2.945 4.909 3.927 3.038 5.287 0.378 14 0 "[ . 1 . 2]" 1
355 1 57 HIS H 1 58 SER H 3.920 3.170 4.900 4.373 4.154 4.465 . 0 0 "[ . 1 . 2]" 1
356 1 36 GLU QG 1 58 SER H 3.771 2.828 4.490 2.743 2.551 2.994 0.277 1 0 "[ . 1 . 2]" 1
357 1 39 PHE QE 1 58 SER H 4.445 3.334 5.556 4.482 4.068 4.913 . 0 0 "[ . 1 . 2]" 1
358 1 58 SER H 1 58 SER HA 3.035 2.276 3.794 2.971 2.932 3.009 . 0 0 "[ . 1 . 2]" 1
359 1 58 SER H 1 58 SER QB 3.640 3.116 4.550 2.463 2.382 2.602 0.734 5 20 [****+*********-*****] 1
360 1 39 PHE QE 1 59 SER H 4.403 3.302 5.504 4.562 4.234 4.917 . 0 0 "[ . 1 . 2]" 1
361 1 58 SER HA 1 59 SER H 3.329 2.497 4.161 2.396 2.336 2.439 0.161 18 0 "[ . 1 . 2]" 1
362 1 58 SER QB 1 59 SER H 4.236 3.177 5.295 3.249 3.055 3.881 0.122 1 0 "[ . 1 . 2]" 1
363 1 59 SER H 1 59 SER HA 3.776 2.832 4.720 3.033 3.023 3.038 . 0 0 "[ . 1 . 2]" 1
364 1 59 SER H 1 59 SER HB3 3.542 3.351 4.428 3.198 2.949 3.261 0.402 2 0 "[ . 1 . 2]" 1
365 1 59 SER H 1 59 SER HB2 3.975 2.981 4.969 3.778 3.107 3.872 . 0 0 "[ . 1 . 2]" 1
366 1 59 SER H 1 60 LYS H 3.484 2.613 3.789 2.801 2.462 3.161 0.151 2 0 "[ . 1 . 2]" 1
367 1 59 SER H 1 61 ILE H 4.442 3.331 5.553 5.861 5.802 5.992 0.439 5 0 "[ . 1 . 2]" 1
368 1 59 SER H 1 89 PHE QB 4.312 3.234 5.390 5.277 4.898 5.601 0.211 10 0 "[ . 1 . 2]" 1
369 1 59 SER H 1 90 GLN HA 3.842 2.882 4.802 4.816 4.223 5.102 0.300 5 0 "[ . 1 . 2]" 1
370 1 59 SER HB3 1 60 LYS H . 3.393 4.165 3.756 2.742 3.857 0.651 2 1 "[ + . 1 . 2]" 1
371 1 59 SER HB2 1 60 LYS H 3.567 2.675 4.459 3.096 2.649 4.010 0.026 5 0 "[ . 1 . 2]" 1
372 1 60 LYS H 1 60 LYS HA 3.047 2.285 3.809 3.032 3.013 3.041 . 0 0 "[ . 1 . 2]" 1
373 1 60 LYS H 1 61 ILE H 3.356 2.977 4.195 4.370 4.299 4.431 0.236 7 0 "[ . 1 . 2]" 1
374 1 60 LYS H 1 90 GLN HA 3.689 2.767 4.611 4.664 4.293 4.825 0.214 13 0 "[ . 1 . 2]" 1
375 1 60 LYS H 1 90 GLN H 4.189 3.142 5.236 5.697 5.596 5.742 0.506 15 1 "[ . 1 + 2]" 1
376 1 60 LYS HA 1 61 ILE H 2.846 2.134 3.558 2.142 2.128 2.163 0.006 11 0 "[ . 1 . 2]" 1
377 1 61 ILE H 1 61 ILE HA 3.779 2.834 4.724 2.991 2.986 2.997 . 0 0 "[ . 1 . 2]" 1
378 1 61 ILE H 1 61 ILE HB . 3.329 3.635 2.814 2.719 3.541 0.610 16 16 "[** **- ******+****]" 1
379 1 61 ILE H 1 61 ILE MD 3.279 2.945 4.099 3.194 1.021 4.356 1.924 9 5 "[* * - * +1 . 2]" 1
380 1 61 ILE H 1 61 ILE MG 3.509 3.062 4.386 4.026 3.690 4.072 . 0 0 "[ . 1 . 2]" 1
381 1 61 ILE H 1 62 LYS H 4.258 3.194 4.900 4.525 4.392 4.599 . 0 0 "[ . 1 . 2]" 1
382 1 61 ILE HA 1 62 LYS H 3.317 2.488 4.146 2.249 2.223 2.291 0.265 18 0 "[ . 1 . 2]" 1
383 1 62 LYS H 1 62 LYS HA 3.926 2.945 4.907 3.032 2.985 3.064 . 0 0 "[ . 1 . 2]" 1
384 1 62 LYS H 1 62 LYS QD . 3.725 4.511 4.544 4.391 4.674 0.163 17 0 "[ . 1 . 2]" 1
385 1 62 LYS H 1 63 MET H 4.532 3.399 5.665 4.555 4.450 4.661 . 0 0 "[ . 1 . 2]" 1
386 1 62 LYS H 1 87 TYR QD 4.123 3.092 5.154 4.933 4.673 5.811 0.657 1 1 "[+ . 1 . 2]" 1
387 1 62 LYS H 1 88 VAL HA 3.732 2.799 4.665 3.730 3.270 3.896 . 0 0 "[ . 1 . 2]" 1
388 1 62 LYS H 1 89 PHE QD 4.020 3.015 5.025 3.630 3.361 3.908 . 0 0 "[ . 1 . 2]" 1
389 1 62 LYS H 1 89 PHE QE 4.167 3.125 5.209 3.203 2.498 3.383 0.627 1 1 "[+ . 1 . 2]" 1
390 1 62 LYS QB 1 63 MET H . 3.933 4.331 2.932 2.816 3.512 1.117 15 19 "[********-*****+* ***]" 1
391 1 63 MET H 1 63 MET HA 3.323 2.492 4.154 2.941 2.930 2.954 . 0 0 "[ . 1 . 2]" 1
392 1 63 MET H 1 63 MET QG . 4.119 4.420 4.130 4.047 4.195 0.072 15 0 "[ . 1 . 2]" 1
393 1 63 MET H 1 64 TYR H 4.018 3.379 5.023 4.430 4.369 4.484 . 0 0 "[ . 1 . 2]" 1
394 1 63 MET H 1 71 TRP HA 4.333 3.250 5.416 4.852 4.698 4.962 . 0 0 "[ . 1 . 2]" 1
395 1 63 MET H 1 72 VAL QG 3.355 3.098 4.194 3.543 3.166 3.661 . 0 0 "[ . 1 . 2]" 1
396 1 63 MET H 1 72 VAL H 3.833 3.008 4.791 3.338 3.131 3.482 . 0 0 "[ . 1 . 2]" 1
397 1 63 MET H 1 73 ASP HA 3.968 2.976 4.960 3.363 3.170 3.853 . 0 0 "[ . 1 . 2]" 1
398 1 63 MET H 1 86 LEU HA 4.614 3.460 5.768 5.423 5.322 5.612 . 0 0 "[ . 1 . 2]" 1
399 1 62 LYS QB 1 64 TYR H 3.436 2.577 4.295 5.040 4.856 5.238 0.943 8 20 [*-*****+************] 1
400 1 63 MET QG 1 64 TYR H . 3.358 4.020 3.256 2.951 3.479 0.407 8 0 "[ . 1 . 2]" 1
401 1 64 TYR H 1 64 TYR QD 3.192 2.394 3.990 4.415 4.378 4.449 0.459 13 0 "[ . 1 . 2]" 1
402 1 64 TYR H 1 64 TYR QE 4.634 3.475 5.793 6.434 6.400 6.464 0.671 13 20 [****-*******+*******] 1
403 1 64 TYR H 1 65 ASP H 4.182 3.188 5.228 4.647 4.591 4.682 . 0 0 "[ . 1 . 2]" 1
404 1 64 TYR H 1 71 TRP HA 4.362 3.271 5.453 4.783 4.645 4.919 . 0 0 "[ . 1 . 2]" 1
405 1 64 TYR H 1 71 TRP HH2 4.614 3.460 5.768 5.622 4.967 5.869 0.101 19 0 "[ . 1 . 2]" 1
406 1 64 TYR H 1 71 TRP HZ2 4.046 3.035 5.057 6.825 6.306 7.054 1.997 19 20 [************-*****+*] 1
407 1 64 TYR H 1 72 VAL H 4.107 3.080 5.134 4.905 4.834 4.957 . 0 0 "[ . 1 . 2]" 1
408 1 64 TYR H 1 85 GLN H 4.656 3.492 5.820 3.787 3.473 4.028 0.019 15 0 "[ . 1 . 2]" 1
409 1 64 TYR H 1 86 LEU HA 3.829 2.872 4.786 3.599 3.433 3.829 . 0 0 "[ . 1 . 2]" 1
410 1 64 TYR HA 1 65 ASP H 3.187 3.062 3.984 2.294 2.270 2.312 0.792 5 20 [****+********-******] 1
411 1 64 TYR QD 1 65 ASP H 3.619 2.714 4.524 3.416 3.274 3.505 . 0 0 "[ . 1 . 2]" 1
412 1 64 TYR QE 1 65 ASP H 4.244 3.183 5.305 4.392 4.302 4.447 . 0 0 "[ . 1 . 2]" 1
413 1 65 ASP H 1 65 ASP HA 3.593 2.695 4.491 2.992 2.981 3.002 . 0 0 "[ . 1 . 2]" 1
414 1 65 ASP H 1 65 ASP QB 3.211 3.146 4.014 2.582 2.542 2.626 0.604 12 20 [**-********+********] 1
415 1 65 ASP H 1 66 GLU H . 2.998 3.845 4.100 4.018 4.177 0.332 20 0 "[ . 1 . 2]" 1
416 1 65 ASP H 1 68 LEU HG 4.123 3.092 5.154 4.261 3.901 4.699 . 0 0 "[ . 1 . 2]" 1
417 1 65 ASP H 1 70 LYS H 3.894 2.921 4.265 3.531 3.449 3.589 . 0 0 "[ . 1 . 2]" 1
418 1 65 ASP H 1 71 TRP HA 3.618 2.714 4.522 3.751 3.588 3.901 . 0 0 "[ . 1 . 2]" 1
419 1 65 ASP H 1 71 TRP QB 4.589 3.442 5.736 5.818 5.668 5.948 0.212 15 0 "[ . 1 . 2]" 1
420 1 65 ASP H 1 72 VAL QG 3.408 2.556 4.260 3.104 3.007 3.253 . 0 0 "[ . 1 . 2]" 1
421 1 65 ASP H 1 72 VAL H 3.921 3.071 4.901 4.557 4.454 4.708 . 0 0 "[ . 1 . 2]" 1
422 1 64 TYR QD 1 66 GLU H 4.002 3.002 5.002 3.953 3.854 4.047 . 0 0 "[ . 1 . 2]" 1
423 1 64 TYR QE 1 66 GLU H 4.208 3.156 5.260 4.136 3.944 4.293 . 0 0 "[ . 1 . 2]" 1
424 1 65 ASP HA 1 66 GLU H 2.741 2.056 3.426 2.026 2.008 2.061 0.048 14 0 "[ . 1 . 2]" 1
425 1 66 GLU H 1 66 GLU QB . 2.997 3.512 2.371 2.240 2.430 0.757 8 20 [*******+**-*********] 1
426 1 66 GLU H 1 66 GLU QG 3.085 2.314 3.856 2.572 2.352 4.068 0.212 1 0 "[ . 1 . 2]" 1
427 1 66 GLU H 1 68 LEU HG 4.312 3.234 5.390 5.830 5.698 5.939 0.549 10 2 "[ - + . 2]" 1
428 1 66 GLU H 1 68 LEU H 3.891 3.044 4.864 4.791 4.740 4.843 . 0 0 "[ . 1 . 2]" 1
429 1 66 GLU H 1 70 LYS H 4.419 3.314 5.524 5.485 5.352 5.609 0.085 20 0 "[ . 1 . 2]" 1
430 1 64 TYR QD 1 67 GLU H 4.714 3.535 5.893 6.108 6.048 6.184 0.291 18 0 "[ . 1 . 2]" 1
431 1 64 TYR QE 1 67 GLU H 4.460 3.345 5.575 5.687 5.549 5.811 0.236 18 0 "[ . 1 . 2]" 1
432 1 65 ASP HA 1 67 GLU H 3.417 2.563 4.271 3.681 3.610 3.745 . 0 0 "[ . 1 . 2]" 1
433 1 66 GLU HA 1 67 GLU H 3.419 2.564 4.274 3.339 3.285 3.449 . 0 0 "[ . 1 . 2]" 1
434 1 66 GLU H 1 67 GLU H 3.152 2.364 3.940 2.743 2.671 2.838 . 0 0 "[ . 1 . 2]" 1
435 1 67 GLU H 1 67 GLU QB . 2.702 3.135 2.312 2.100 2.423 0.602 15 2 "[ . 1 + - 2]" 1
436 1 67 GLU H 1 67 GLU QG 3.297 3.029 4.121 3.236 2.760 4.149 0.269 2 0 "[ . 1 . 2]" 1
437 1 67 GLU H 1 68 LEU QD 3.355 2.516 4.194 2.945 2.842 3.072 . 0 0 "[ . 1 . 2]" 1
438 1 67 GLU H 1 68 LEU HG 3.441 2.581 4.301 4.384 4.327 4.446 0.145 12 0 "[ . 1 . 2]" 1
439 1 67 GLU H 1 68 LEU H 2.915 2.186 3.644 2.427 2.362 2.566 . 0 0 "[ . 1 . 2]" 1
440 1 67 GLU H 1 70 LYS H 4.207 3.155 5.259 4.876 4.758 5.087 . 0 0 "[ . 1 . 2]" 1
441 1 65 ASP HA 1 68 LEU H 4.280 3.210 5.350 5.211 5.150 5.274 . 0 0 "[ . 1 . 2]" 1
442 1 66 GLU HA 1 68 LEU H 4.095 3.071 5.119 4.440 4.358 4.604 . 0 0 "[ . 1 . 2]" 1
443 1 67 GLU QB 1 68 LEU H . 2.963 3.692 2.560 2.510 2.649 0.453 4 0 "[ . 1 . 2]" 1
444 1 67 GLU QG 1 68 LEU H 3.830 2.873 4.787 4.300 3.972 4.542 . 0 0 "[ . 1 . 2]" 1
445 1 68 LEU H 1 68 LEU QB . 3.599 3.872 3.202 3.184 3.225 0.415 5 0 "[ . 1 . 2]" 1
446 1 68 LEU H 1 68 LEU QD . 3.092 3.766 1.828 1.796 1.866 1.296 19 20 [*-****************+*] 1
447 1 68 LEU H 1 68 LEU HG . 3.143 3.913 2.640 2.557 2.701 0.586 15 8 "[ - .* * 1 ** + * *]" 1
448 1 68 LEU H 1 69 ASN H 3.012 2.347 3.765 2.055 2.025 2.110 0.322 20 0 "[ . 1 . 2]" 1
449 1 68 LEU H 1 70 LYS H 3.856 2.892 4.820 3.758 3.676 3.810 . 0 0 "[ . 1 . 2]" 1
450 1 64 TYR QD 1 69 ASN H 4.615 3.461 5.769 5.920 5.879 5.973 0.204 10 0 "[ . 1 . 2]" 1
451 1 64 TYR QE 1 69 ASN H 3.880 2.910 4.850 4.929 4.856 4.971 0.121 6 0 "[ . 1 . 2]" 1
452 1 66 GLU HA 1 69 ASN H 3.473 2.605 4.341 3.144 3.024 3.350 . 0 0 "[ . 1 . 2]" 1
453 1 66 GLU H 1 69 ASN H 4.465 3.349 5.581 4.637 4.582 4.704 . 0 0 "[ . 1 . 2]" 1
454 1 67 GLU QB 1 69 ASN H 3.406 2.554 4.258 4.196 4.152 4.226 . 0 0 "[ . 1 . 2]" 1
455 1 68 LEU HA 1 69 ASN H . 3.658 4.165 3.452 3.436 3.476 0.222 10 0 "[ . 1 . 2]" 1
456 1 68 LEU QB 1 69 ASN H . 3.701 4.209 3.876 3.807 3.907 . 0 0 "[ . 1 . 2]" 1
457 1 68 LEU QD 1 69 ASN H 3.368 3.271 4.210 3.367 3.344 3.403 . 0 0 "[ . 1 . 2]" 1
458 1 68 LEU HG 1 69 ASN H . 3.505 4.372 3.203 3.159 3.239 0.346 15 0 "[ . 1 . 2]" 1
459 1 69 ASN H 1 69 ASN HA 2.836 2.658 3.545 2.275 2.271 2.283 0.387 14 0 "[ . 1 . 2]" 1
460 1 69 ASN H 1 69 ASN QB 3.413 3.274 4.221 3.024 3.003 3.060 0.271 6 0 "[ . 1 . 2]" 1
461 1 69 ASN H 1 70 LYS H 3.106 2.330 3.654 2.669 2.612 2.701 . 0 0 "[ . 1 . 2]" 1
462 1 64 TYR QD 1 70 LYS H 3.982 2.986 4.978 4.485 4.425 4.604 . 0 0 "[ . 1 . 2]" 1
463 1 64 TYR QE 1 70 LYS H 3.701 2.776 4.626 3.852 3.735 3.978 . 0 0 "[ . 1 . 2]" 1
464 1 65 ASP QB 1 70 LYS H 3.459 2.594 4.324 3.870 3.560 4.036 . 0 0 "[ . 1 . 2]" 1
465 1 68 LEU HA 1 70 LYS H 3.817 2.863 4.771 4.916 4.780 5.051 0.280 5 0 "[ . 1 . 2]" 1
466 1 68 LEU QD 1 70 LYS H 3.478 2.608 4.348 3.413 3.346 3.477 . 0 0 "[ . 1 . 2]" 1
467 1 68 LEU HG 1 70 LYS H 3.212 2.409 4.015 2.550 2.485 2.618 . 0 0 "[ . 1 . 2]" 1
468 1 69 ASN HA 1 70 LYS H 2.940 2.930 3.675 2.857 2.815 2.881 0.115 5 0 "[ . 1 . 2]" 1
469 1 69 ASN QB 1 70 LYS H . 3.386 4.179 4.045 4.001 4.078 . 0 0 "[ . 1 . 2]" 1
470 1 70 LYS H 1 70 LYS HA 3.275 2.456 4.094 3.001 2.991 3.011 . 0 0 "[ . 1 . 2]" 1
471 1 70 LYS H 1 71 TRP H 3.654 2.954 4.567 4.424 4.406 4.443 . 0 0 "[ . 1 . 2]" 1
472 1 70 LYS H 1 72 VAL QG 3.740 2.805 4.675 4.746 4.606 4.908 0.233 19 0 "[ . 1 . 2]" 1
473 1 64 TYR HA 1 71 TRP H 4.241 3.181 5.301 4.578 4.474 4.693 . 0 0 "[ . 1 . 2]" 1
474 1 64 TYR QD 1 71 TRP H 3.989 2.992 4.986 3.358 3.296 3.485 . 0 0 "[ . 1 . 2]" 1
475 1 64 TYR QE 1 71 TRP H 4.033 3.025 5.041 3.952 3.818 4.144 . 0 0 "[ . 1 . 2]" 1
476 1 65 ASP H 1 71 TRP H 4.457 3.343 5.571 4.996 4.836 5.112 . 0 0 "[ . 1 . 2]" 1
477 1 70 LYS HA 1 71 TRP H 2.876 2.157 3.595 2.142 2.080 2.186 0.077 5 0 "[ . 1 . 2]" 1
478 1 71 TRP H 1 71 TRP HA 3.661 2.746 4.576 2.893 2.882 2.901 . 0 0 "[ . 1 . 2]" 1
479 1 71 TRP H 1 71 TRP QB . 3.421 4.054 2.467 2.425 2.494 0.996 17 20 [-***************+***] 1
480 1 71 TRP H 1 71 TRP HD1 3.254 2.440 4.068 2.394 2.345 2.590 0.095 1 0 "[ . 1 . 2]" 1
481 1 71 TRP H 1 71 TRP HE1 4.207 3.269 5.259 4.460 4.392 4.622 . 0 0 "[ . 1 . 2]" 1
482 1 71 TRP H 1 71 TRP HE3 4.434 3.325 5.543 5.310 5.235 5.347 . 0 0 "[ . 1 . 2]" 1
483 1 71 TRP H 1 71 TRP HH2 6.197 4.648 7.746 7.786 7.742 7.827 0.081 13 0 "[ . 1 . 2]" 1
484 1 71 TRP H 1 71 TRP HZ2 4.181 3.136 5.226 6.518 6.456 6.628 1.402 13 20 [-***********+*******] 1
485 1 71 TRP H 1 72 VAL H 4.017 3.013 4.965 4.634 4.612 4.681 . 0 0 "[ . 1 . 2]" 1
486 1 64 TYR QD 1 71 TRP HE1 4.002 3.002 5.002 3.598 3.489 3.688 . 0 0 "[ . 1 . 2]" 1
487 1 64 TYR QE 1 71 TRP HE1 4.168 3.126 5.210 3.763 3.637 3.956 . 0 0 "[ . 1 . 2]" 1
488 1 71 TRP QB 1 71 TRP HE1 4.716 3.537 5.575 4.517 4.506 4.523 . 0 0 "[ . 1 . 2]" 1
489 1 62 LYS QB 1 72 VAL H 4.033 3.025 5.041 3.975 3.613 4.949 . 0 0 "[ . 1 . 2]" 1
490 1 62 LYS QD 1 72 VAL H 3.930 2.947 4.913 4.603 4.467 4.695 . 0 0 "[ . 1 . 2]" 1
491 1 63 MET HA 1 72 VAL H 3.962 2.971 4.953 4.938 4.815 5.017 0.064 12 0 "[ . 1 . 2]" 1
492 1 63 MET QB 1 72 VAL H 3.842 2.881 4.803 3.808 3.639 3.972 . 0 0 "[ . 1 . 2]" 1
493 1 64 TYR HA 1 72 VAL H 3.853 3.611 4.816 3.341 3.268 3.493 0.343 12 0 "[ . 1 . 2]" 1
494 1 71 TRP HA 1 72 VAL H 3.277 2.458 4.096 2.186 2.164 2.233 0.294 8 0 "[ . 1 . 2]" 1
495 1 71 TRP QB 1 72 VAL H . 4.001 4.915 3.320 3.249 3.364 0.752 9 20 [-*******+***********] 1
496 1 71 TRP HE3 1 72 VAL H 4.123 3.092 5.154 4.080 3.705 4.245 . 0 0 "[ . 1 . 2]" 1
497 1 72 VAL H 1 72 VAL HA 3.792 2.844 4.740 2.947 2.942 2.955 . 0 0 "[ . 1 . 2]" 1
498 1 72 VAL H 1 72 VAL HB 4.014 3.010 5.018 3.589 3.501 3.940 . 0 0 "[ . 1 . 2]" 1
499 1 72 VAL H 1 72 VAL QG 2.979 2.909 3.724 2.258 2.198 2.347 0.711 8 20 [****-**+************] 1
500 1 62 LYS HA 1 73 ASP H 4.218 3.164 5.272 5.380 5.236 5.625 0.353 14 0 "[ . 1 . 2]" 1
501 1 62 LYS QD 1 73 ASP H 3.841 2.881 4.801 4.482 3.934 4.558 . 0 0 "[ . 1 . 2]" 1
502 1 63 MET H 1 73 ASP H 4.722 3.541 5.903 4.628 4.454 4.782 . 0 0 "[ . 1 . 2]" 1
503 1 71 TRP HA 1 73 ASP H 4.472 3.354 5.590 6.368 6.318 6.462 0.872 5 20 [****+*-*************] 1
504 1 72 VAL HA 1 73 ASP H 2.875 2.156 3.594 2.388 2.285 2.488 . 0 0 "[ . 1 . 2]" 1
505 1 72 VAL QG 1 73 ASP H . 2.822 3.517 2.150 2.021 2.407 0.801 4 18 "[***+.*** ****-******]" 1
506 1 72 VAL H 1 73 ASP H 4.096 3.072 5.120 4.312 4.296 4.357 . 0 0 "[ . 1 . 2]" 1
507 1 73 ASP H 1 73 ASP HA 3.263 2.447 4.079 2.927 2.899 3.015 . 0 0 "[ . 1 . 2]" 1
508 1 73 ASP H 1 74 LEU H 4.193 3.145 5.122 4.510 3.002 4.718 0.143 9 0 "[ . 1 . 2]" 1
509 1 63 MET HA 1 74 LEU H 3.557 2.668 4.446 6.579 5.399 7.342 2.896 5 20 [*-**+***************] 1
510 1 63 MET H 1 74 LEU H 4.251 3.188 5.314 4.507 3.469 5.122 . 0 0 "[ . 1 . 2]" 1
511 1 73 ASP HA 1 74 LEU H 3.227 2.420 4.034 2.550 2.362 2.940 0.058 1 0 "[ . 1 . 2]" 1
512 1 74 LEU H 1 74 LEU HA 3.762 2.821 4.703 2.916 2.879 2.984 . 0 0 "[ . 1 . 2]" 1
513 1 74 LEU H 1 74 LEU QB 3.436 2.577 4.295 2.276 2.216 2.518 0.361 4 0 "[ . 1 . 2]" 1
514 1 74 LEU H 1 74 LEU QD 3.992 2.994 4.990 3.926 3.842 4.172 . 0 0 "[ . 1 . 2]" 1
515 1 74 LEU H 1 74 LEU HG 3.654 2.741 4.567 4.728 4.564 4.816 0.249 7 0 "[ . 1 . 2]" 1
516 1 74 LEU H 1 75 ILE MD 3.109 2.332 3.886 4.486 3.609 6.913 3.027 5 7 "[* * + * 1 * *- 2]" 1
517 1 74 LEU H 1 75 ILE H 4.161 3.121 5.201 4.487 4.415 4.529 . 0 0 "[ . 1 . 2]" 1
518 1 28 ILE MD 1 75 ILE H 4.348 3.261 5.435 6.451 5.896 7.118 1.683 15 19 [*****-***1****+*****] 1
519 1 74 LEU QD 1 75 ILE H 3.989 2.992 4.986 3.140 2.390 3.837 0.602 1 4 "[+ . * 1 - *. 2]" 1
520 1 75 ILE H 1 75 ILE HA 3.345 2.509 4.181 2.959 2.927 2.999 . 0 0 "[ . 1 . 2]" 1
521 1 75 ILE H 1 75 ILE HB 3.501 3.043 4.376 3.102 2.878 3.881 0.165 10 0 "[ . 1 . 2]" 1
522 1 75 ILE H 1 75 ILE MD 3.147 3.034 3.934 2.316 0.908 3.647 2.126 9 8 "[ *- . * +** .** 2]" 1
523 1 75 ILE H 1 75 ILE QG 3.686 3.272 4.608 2.485 1.918 3.355 1.354 12 12 "[* *** * 1 +*** *-*]" 1
524 1 75 ILE H 1 76 ARG H 3.339 2.504 3.842 4.410 4.210 4.483 0.641 12 18 "[* ****** **+******-*]" 1
525 1 28 ILE MD 1 76 ARG H 3.736 3.281 4.670 6.148 3.650 6.821 2.151 15 18 "[* *-**** *****+*****]" 1
526 1 75 ILE HA 1 76 ARG H 3.227 2.420 4.034 2.329 2.145 2.391 0.275 9 0 "[ . 1 . 2]" 1
527 1 75 ILE HB 1 76 ARG H 3.183 3.052 3.979 3.300 2.697 4.076 0.355 5 0 "[ . 1 . 2]" 1
528 1 76 ARG H 1 76 ARG HA 3.834 2.876 4.792 3.016 2.961 3.029 . 0 0 "[ . 1 . 2]" 1
529 1 76 ARG H 1 76 ARG QB . 3.633 4.456 2.595 2.517 2.704 1.116 8 20 [*******+-***********] 1
530 1 76 ARG H 1 76 ARG QG . 3.299 3.704 3.031 2.885 3.685 0.414 7 0 "[ . 1 . 2]" 1
531 1 76 ARG H 1 77 GLU H 4.202 3.259 5.253 4.495 4.394 4.538 . 0 0 "[ . 1 . 2]" 1
532 1 76 ARG H 1 78 ASP H . 3.386 4.026 4.091 3.912 4.573 0.547 7 1 "[ . + 1 . 2]" 1
533 1 76 ARG H 1 79 GLN H 4.212 3.197 5.265 4.920 3.385 5.459 0.194 1 0 "[ . 1 . 2]" 1
534 1 28 ILE MD 1 77 GLU H 3.653 2.740 4.566 4.128 3.223 5.114 0.548 2 1 "[ + . 1 . 2]" 1
535 1 28 ILE QG 1 77 GLU H 4.190 3.143 5.237 3.170 2.558 4.679 0.585 8 1 "[ . + 1 . 2]" 1
536 1 28 ILE MG 1 77 GLU H 3.838 2.879 4.797 3.620 3.272 4.820 0.023 2 0 "[ . 1 . 2]" 1
537 1 76 ARG HA 1 77 GLU H 3.135 2.351 3.919 2.191 2.135 2.558 0.216 14 0 "[ . 1 . 2]" 1
538 1 77 GLU H 1 77 GLU QB 3.341 3.300 4.099 3.313 2.440 3.588 0.860 2 2 "[ + . -1 . 2]" 1
539 1 77 GLU H 1 78 ASP H 3.664 2.748 4.217 3.046 2.451 4.002 0.297 2 0 "[ . 1 . 2]" 1
540 1 28 ILE MD 1 78 ASP H 3.775 2.831 4.719 6.078 4.994 6.992 2.273 5 16 "[* **+* *1********-*]" 1
541 1 77 GLU HA 1 78 ASP H . 3.556 4.433 3.457 3.246 3.629 0.310 2 0 "[ . 1 . 2]" 1
542 1 77 GLU QB 1 78 ASP H 3.150 2.362 3.938 3.293 2.142 3.951 0.220 5 0 "[ . 1 . 2]" 1
543 1 78 ASP H 1 78 ASP HA 3.028 2.271 3.785 2.841 2.255 3.008 0.016 10 0 "[ . 1 . 2]" 1
544 1 78 ASP H 1 78 ASP HB3 3.062 2.297 3.827 3.680 2.677 4.109 0.282 19 0 "[ . 1 . 2]" 1
545 1 78 ASP H 1 78 ASP HB2 3.022 2.267 3.777 2.927 2.594 4.156 0.379 5 0 "[ . 1 . 2]" 1
546 1 78 ASP H 1 79 GLN HA 2.949 2.212 3.686 4.407 3.770 4.964 1.278 7 18 "[* *-.*+*************]" 1
547 1 78 ASP H 1 79 GLN H 3.191 2.600 3.989 2.385 2.257 2.599 0.343 3 0 "[ . 1 . 2]" 1
548 1 28 ILE MD 1 79 GLN H 4.502 3.376 5.628 5.908 4.755 7.712 2.084 19 5 "[ * *- * . +2]" 1
549 1 75 ILE H 1 79 GLN H 4.704 3.528 5.880 6.244 5.910 8.211 2.331 2 2 "[ + . -1 . 2]" 1
550 1 76 ARG QB 1 79 GLN H 4.104 3.078 5.130 5.257 3.395 5.739 0.609 7 1 "[ . + 1 . 2]" 1
551 1 77 GLU H 1 79 GLN H 4.568 3.426 5.710 3.947 3.307 5.188 0.119 3 0 "[ . 1 . 2]" 1
552 1 78 ASP HA 1 79 GLN H 3.960 2.970 4.950 2.973 2.650 3.146 0.320 10 0 "[ . 1 . 2]" 1
553 1 78 ASP HB3 1 79 GLN H 4.018 3.013 5.023 4.528 3.888 4.867 . 0 0 "[ . 1 . 2]" 1
554 1 79 GLN H 1 79 GLN HA 3.259 2.444 4.074 2.799 2.770 2.912 . 0 0 "[ . 1 . 2]" 1
555 1 79 GLN H 1 79 GLN QG . 3.469 4.160 3.389 2.639 4.153 0.830 18 4 "[ - . * 1* . + 2]" 1
556 1 28 ILE MD 1 80 LEU H 4.301 3.226 5.376 7.545 6.574 9.711 4.335 5 20 [****+-**************] 1
557 1 78 ASP HA 1 80 LEU H 3.914 2.936 4.892 3.656 3.302 4.386 . 0 0 "[ . 1 . 2]" 1
558 1 78 ASP H 1 80 LEU H 4.195 3.146 5.244 4.972 4.747 5.391 0.147 5 0 "[ . 1 . 2]" 1
559 1 79 GLN HA 1 80 LEU H 3.864 2.898 4.830 3.527 3.421 3.742 . 0 0 "[ . 1 . 2]" 1
560 1 80 LEU H 1 80 LEU HA 3.343 2.507 4.179 2.943 2.921 2.996 . 0 0 "[ . 1 . 2]" 1
561 1 80 LEU H 1 80 LEU QD 3.103 2.327 3.879 2.265 1.799 3.403 0.528 18 1 "[ . 1 . + 2]" 1
562 1 80 LEU H 1 81 THR H 3.975 3.006 4.969 2.879 2.576 3.037 0.430 7 0 "[ . 1 . 2]" 1
563 1 80 LEU HA 1 81 THR H 2.955 2.216 3.694 3.374 3.189 3.775 0.081 5 0 "[ . 1 . 2]" 1
564 1 81 THR H 1 81 THR HA 3.453 2.590 4.316 2.776 2.548 3.011 0.042 4 0 "[ . 1 . 2]" 1
565 1 81 THR H 1 81 THR HG1 3.116 2.853 3.895 2.289 1.995 2.695 0.858 3 14 "[**+-.****1 ***.*** 2]" 1
566 1 81 THR H 1 82 ASP H 4.168 3.126 5.210 4.359 3.606 4.672 . 0 0 "[ . 1 . 2]" 1
567 1 81 THR H 1 84 CYS HA 4.029 3.022 5.036 5.931 5.110 6.605 1.569 7 17 "[****.-+ ********** *]" 1
568 1 81 THR H 1 84 CYS QB . 3.968 4.532 3.886 3.409 4.710 0.559 16 2 "[ . 1 .+- 2]" 1
569 1 81 THR HA 1 82 ASP H 2.935 2.201 3.669 2.510 2.130 3.643 0.071 13 0 "[ . 1 . 2]" 1
570 1 81 THR HG1 1 82 ASP H 3.000 2.845 3.750 2.585 1.407 3.319 1.438 5 7 "[ * +-** * *. 2]" 1
571 1 82 ASP H 1 82 ASP HB3 3.092 2.742 3.865 3.669 2.761 4.052 0.187 15 0 "[ . 1 . 2]" 1
572 1 82 ASP H 1 82 ASP HB2 3.008 2.770 3.760 2.984 2.312 3.551 0.458 19 0 "[ . 1 . 2]" 1
573 1 82 ASP H 1 83 TYR H 3.696 3.075 4.620 3.273 2.768 4.701 0.307 8 0 "[ . 1 . 2]" 1
574 1 82 ASP HB3 1 83 TYR H 3.734 2.801 4.667 4.101 2.301 4.668 0.500 3 0 "[ . 1 . 2]" 1
575 1 83 TYR H 1 83 TYR HB2 4.083 3.388 5.104 3.672 2.677 4.002 0.711 3 1 "[ + . 1 . 2]" 1
576 1 83 TYR H 1 83 TYR HB3 . 3.543 4.416 4.136 3.750 4.277 . 0 0 "[ . 1 . 2]" 1
577 1 83 TYR H 1 83 TYR QD 4.150 3.112 5.188 3.461 2.213 3.951 0.899 3 1 "[ + . 1 . 2]" 1
578 1 83 TYR H 1 83 TYR QE 4.737 3.553 5.921 4.743 4.099 5.715 . 0 0 "[ . 1 . 2]" 1
579 1 83 TYR H 1 84 CYS H 3.909 2.932 4.083 3.191 2.689 3.604 0.243 3 0 "[ . 1 . 2]" 1
580 1 6 GLN H 1 84 CYS H 4.135 3.101 5.169 6.044 5.604 6.316 1.147 7 18 "[****.*+*-**** ******]" 1
581 1 81 THR H 1 84 CYS H 3.753 2.815 4.691 5.716 4.837 6.497 1.806 7 16 "[* *** +-***** *** **]" 1
582 1 82 ASP H 1 84 CYS H 4.205 3.154 5.256 4.678 2.952 5.414 0.202 14 0 "[ . 1 . 2]" 1
583 1 83 TYR HB2 1 84 CYS H 3.858 2.893 4.823 2.895 2.119 4.269 0.774 7 3 "[ . +* - . 2]" 1
584 1 83 TYR QD 1 84 CYS H 4.071 3.053 5.089 4.240 3.744 4.998 . 0 0 "[ . 1 . 2]" 1
585 1 83 TYR QE 1 84 CYS H 4.446 3.334 5.558 6.153 5.779 6.677 1.119 14 10 "[ ** **** 1 +* * -]" 1
586 1 84 CYS H 1 84 CYS HA 3.007 2.255 3.759 2.317 2.199 2.704 0.056 4 0 "[ . 1 . 2]" 1
587 1 84 CYS H 1 85 GLN H 3.660 3.044 4.575 4.239 3.790 4.741 0.166 5 0 "[ . 1 . 2]" 1
588 1 64 TYR QD 1 85 GLN H 4.465 3.349 5.581 4.785 4.632 5.139 . 0 0 "[ . 1 . 2]" 1
589 1 72 VAL QG 1 85 GLN H 4.172 3.129 5.215 5.587 5.226 5.808 0.593 2 4 "[ + *- *1 . 2]" 1
590 1 84 CYS HA 1 85 GLN H 3.152 2.364 3.940 2.268 2.238 2.359 0.126 4 0 "[ . 1 . 2]" 1
591 1 84 CYS QB 1 85 GLN H . 3.676 4.326 3.470 3.280 4.071 0.396 17 0 "[ . 1 . 2]" 1
592 1 85 GLN H 1 85 GLN QB 3.255 2.441 4.069 2.521 2.425 2.678 0.016 18 0 "[ . 1 . 2]" 1
593 1 85 GLN H 1 85 GLN QG 3.581 2.686 4.476 3.511 2.888 4.187 . 0 0 "[ . 1 . 2]" 1
594 1 85 GLN H 1 86 LEU H 4.325 3.244 5.406 4.478 4.290 4.612 . 0 0 "[ . 1 . 2]" 1
595 1 6 GLN HA 1 86 LEU H 4.193 3.145 5.241 4.947 4.805 5.159 . 0 0 "[ . 1 . 2]" 1
596 1 7 VAL HA 1 86 LEU H 4.088 3.066 5.110 3.304 2.992 3.534 0.074 8 0 "[ . 1 . 2]" 1
597 1 85 GLN HA 1 86 LEU H 3.746 2.809 4.683 2.285 2.265 2.317 0.544 11 17 "[ **-******+* ***** *]" 1
598 1 86 LEU H 1 86 LEU QD 3.688 2.962 4.610 3.665 3.001 4.092 . 0 0 "[ . 1 . 2]" 1
599 1 86 LEU H 1 86 LEU HG 3.390 3.242 4.238 3.713 3.187 4.826 0.588 8 2 "[ - . + 1 . 2]" 1
600 1 8 ALA MB 1 87 TYR H 4.294 3.221 5.367 4.982 4.890 5.131 . 0 0 "[ . 1 . 2]" 1
601 1 62 LYS H 1 87 TYR H 4.026 3.019 5.033 3.646 3.524 3.752 . 0 0 "[ . 1 . 2]" 1
602 1 63 MET HA 1 87 TYR H 3.902 2.927 4.877 3.772 3.509 4.169 . 0 0 "[ . 1 . 2]" 1
603 1 71 TRP HE3 1 87 TYR H 4.443 3.332 5.554 5.736 5.583 5.907 0.353 14 0 "[ . 1 . 2]" 1
604 1 71 TRP HH2 1 87 TYR H 4.706 3.529 5.883 5.884 5.211 6.036 0.153 5 0 "[ . 1 . 2]" 1
605 1 86 LEU HA 1 87 TYR H 3.408 2.556 4.260 2.100 2.031 2.194 0.525 15 2 "[ - . 1 + 2]" 1
606 1 86 LEU QD 1 87 TYR H . 3.550 4.096 3.024 2.174 3.286 1.376 9 7 "[* * * +* * -. 2]" 1
607 1 86 LEU HG 1 87 TYR H 3.504 2.628 4.380 4.454 2.552 4.950 0.570 15 1 "[ . 1 + 2]" 1
608 1 87 TYR H 1 87 TYR QB 3.674 2.756 4.592 2.722 2.630 2.790 0.126 4 0 "[ . 1 . 2]" 1
609 1 87 TYR H 1 88 VAL H 4.547 3.410 5.546 4.190 4.069 4.237 . 0 0 "[ . 1 . 2]" 1
610 1 9 ALA HA 1 88 VAL H 4.134 3.100 5.168 2.596 2.414 3.019 0.686 16 11 "[ * .* **1* **.+- **]" 1
611 1 9 ALA MB 1 88 VAL H 3.953 2.965 4.941 3.802 3.501 4.129 . 0 0 "[ . 1 . 2]" 1
612 1 9 ALA H 1 88 VAL H 4.647 3.485 5.809 4.467 4.343 4.839 . 0 0 "[ . 1 . 2]" 1
613 1 39 PHE HZ 1 88 VAL H 4.148 3.111 5.185 5.374 5.222 5.478 0.293 9 0 "[ . 1 . 2]" 1
614 1 87 TYR HA 1 88 VAL H 3.223 2.417 4.029 2.131 2.093 2.171 0.324 2 0 "[ . 1 . 2]" 1
615 1 87 TYR QD 1 88 VAL H 3.780 2.835 4.725 2.985 2.442 3.456 0.393 1 0 "[ . 1 . 2]" 1
616 1 87 TYR QE 1 88 VAL H 4.497 3.373 5.621 4.282 4.151 4.467 . 0 0 "[ . 1 . 2]" 1
617 1 88 VAL H 1 88 VAL HA 3.732 2.799 4.665 2.947 2.917 2.965 . 0 0 "[ . 1 . 2]" 1
618 1 88 VAL H 1 88 VAL HB 3.531 3.445 4.414 2.825 2.706 3.434 0.739 5 18 "[* **+** -***********]" 1
619 1 88 VAL H 1 88 VAL QG . 3.288 4.030 2.709 2.142 2.885 1.146 2 16 "[*+**. ***** * -*****]" 1
620 1 88 VAL H 1 89 PHE QD 4.763 3.572 5.954 5.247 5.082 5.382 . 0 0 "[ . 1 . 2]" 1
621 1 88 VAL H 1 89 PHE QE 4.859 3.644 6.074 5.460 5.080 5.615 . 0 0 "[ . 1 . 2]" 1
622 1 88 VAL H 1 89 PHE H 4.384 3.732 5.480 4.383 4.286 4.459 . 0 0 "[ . 1 . 2]" 1
623 1 88 VAL H 1 89 PHE HZ 4.366 3.274 5.458 6.501 5.921 6.815 1.357 13 19 "[ -**********+*******]" 1
624 1 39 PHE QE 1 89 PHE H 4.943 3.707 6.179 6.296 6.096 6.546 0.367 3 0 "[ . 1 . 2]" 1
625 1 39 PHE HZ 1 89 PHE H 4.767 3.575 5.959 6.190 6.052 6.444 0.485 3 0 "[ . 1 . 2]" 1
626 1 59 SER H 1 89 PHE H 4.847 3.635 6.059 4.627 4.420 4.772 . 0 0 "[ . 1 . 2]" 1
627 1 60 LYS H 1 89 PHE H 4.389 3.292 5.486 3.613 3.237 3.923 0.055 2 0 "[ . 1 . 2]" 1
628 1 61 ILE HA 1 89 PHE H 3.989 2.992 4.986 3.376 3.161 3.556 . 0 0 "[ . 1 . 2]" 1
629 1 62 LYS H 1 89 PHE H 4.675 3.506 5.844 4.905 4.728 5.054 . 0 0 "[ . 1 . 2]" 1
630 1 87 TYR QD 1 89 PHE H 4.922 3.692 6.152 4.693 3.990 5.941 . 0 0 "[ . 1 . 2]" 1
631 1 87 TYR QE 1 89 PHE H 5.141 3.856 6.426 5.446 4.915 6.601 0.175 1 0 "[ . 1 . 2]" 1
632 1 88 VAL HA 1 89 PHE H 3.360 2.520 4.200 2.177 2.157 2.207 0.363 20 0 "[ . 1 . 2]" 1
633 1 89 PHE H 1 89 PHE HA 3.841 2.881 4.801 2.957 2.936 2.979 . 0 0 "[ . 1 . 2]" 1
634 1 89 PHE H 1 89 PHE QB 3.701 2.776 4.626 2.503 2.435 2.622 0.341 16 0 "[ . 1 . 2]" 1
635 1 89 PHE H 1 89 PHE QD 4.223 3.167 5.279 2.726 2.511 2.950 0.656 1 7 "[+* *. 1 * .* -*]" 1
636 1 89 PHE H 1 89 PHE QE 3.557 2.668 4.446 4.640 4.348 4.783 0.337 18 0 "[ . 1 . 2]" 1
637 1 89 PHE H 1 90 GLN H 4.372 3.279 5.445 4.410 4.361 4.496 . 0 0 "[ . 1 . 2]" 1
638 1 87 TYR QE 1 90 GLN H 4.784 3.588 5.980 5.300 4.661 6.682 0.702 1 1 "[+ . 1 . 2]" 1
639 1 89 PHE HA 1 90 GLN H 3.219 2.414 4.024 2.121 2.062 2.183 0.352 18 0 "[ . 1 . 2]" 1
640 1 89 PHE QE 1 90 GLN H 3.969 2.977 4.961 6.208 6.056 6.405 1.444 8 20 [*-*****+************] 1
641 1 93 ASN H 1 93 ASN QB 4.113 3.085 5.141 2.794 2.412 3.225 0.673 11 3 "[ . 1+- . * 2]" 1
642 1 77 GLU HA 1 79 GLN H 4.159 3.386 5.199 4.182 3.568 5.595 0.396 5 0 "[ . 1 . 2]" 1
643 1 94 GLU H 1 94 GLU HA 3.173 2.380 3.966 2.951 2.804 3.007 . 0 0 "[ . 1 . 2]" 1
644 1 94 GLU H 1 95 TRP H 4.733 3.550 4.802 3.867 3.062 4.668 0.488 15 0 "[ . 1 . 2]" 1
645 1 95 TRP H 1 95 TRP HA 3.134 2.351 3.917 2.740 2.312 2.989 0.039 3 0 "[ . 1 . 2]" 1
646 1 95 TRP H 1 95 TRP QB . 3.435 4.092 2.928 2.835 3.270 0.600 9 15 "[ * *-***+*** * ****]" 1
647 1 95 TRP H 1 95 TRP HD1 4.030 3.023 5.037 3.581 3.373 3.752 . 0 0 "[ . 1 . 2]" 1
648 1 95 TRP H 1 95 TRP HE3 3.397 2.548 4.246 3.410 3.222 3.786 . 0 0 "[ . 1 . 2]" 1
649 1 95 TRP H 1 95 TRP HH2 4.316 3.237 5.395 5.674 5.585 5.833 0.438 3 0 "[ . 1 . 2]" 1
650 1 95 TRP H 1 96 HIS H 2.985 2.288 3.731 3.031 2.334 3.973 0.242 10 0 "[ . 1 . 2]" 1
651 1 95 TRP HA 1 95 TRP HE1 3.807 2.855 4.759 4.970 4.664 5.324 0.565 5 1 "[ + 1 . 2]" 1
652 1 95 TRP H 1 95 TRP HE1 3.021 2.266 3.776 4.149 3.980 4.322 0.546 10 1 "[ . + . 2]" 1
653 1 95 TRP HE1 1 96 HIS H 5.131 3.924 6.414 6.748 6.565 6.876 0.462 3 0 "[ . 1 . 2]" 1
654 1 94 GLU H 1 96 HIS H 4.173 3.130 5.216 5.104 3.339 5.625 0.409 4 0 "[ . 1 . 2]" 1
655 1 95 TRP HA 1 96 HIS H 3.490 2.617 4.363 3.056 2.178 3.607 0.439 10 0 "[ . 1 . 2]" 1
656 1 95 TRP QB 1 96 HIS H 3.619 2.997 4.480 3.456 2.743 4.046 0.254 4 0 "[ . 1 . 2]" 1
657 1 96 HIS H 1 96 HIS HA 3.555 2.666 4.444 2.914 2.854 2.999 . 0 0 "[ . 1 . 2]" 1
658 1 96 HIS H 1 96 HIS HD2 3.959 2.969 4.949 4.561 3.298 5.259 0.310 3 0 "[ . 1 . 2]" 1
659 1 96 HIS H 1 96 HIS HE1 3.486 2.614 4.358 4.264 3.769 4.595 0.237 4 0 "[ . 1 . 2]" 1
660 1 95 TRP H 1 97 LYS H 4.181 3.136 5.226 4.856 3.681 5.489 0.263 1 0 "[ . 1 . 2]" 1
661 1 96 HIS HA 1 97 LYS H 2.847 2.135 3.559 3.404 2.955 3.639 0.080 5 0 "[ . 1 . 2]" 1
662 1 96 HIS HD2 1 97 LYS H 4.645 3.484 5.806 5.390 4.365 6.015 0.209 8 0 "[ . 1 . 2]" 1
663 1 96 HIS HE1 1 97 LYS H 4.441 3.331 5.551 5.176 3.608 6.827 1.276 6 1 "[ .+ 1 . 2]" 1
664 1 97 LYS H 1 97 LYS HA 3.324 2.493 4.155 2.949 2.909 3.024 . 0 0 "[ . 1 . 2]" 1
665 1 97 LYS H 1 97 LYS QB 2.998 2.846 3.748 2.532 2.328 3.052 0.518 17 2 "[ . 1 . + -]" 1
666 1 97 LYS HA 1 98 GLU H 2.703 2.027 3.379 2.214 2.160 2.270 . 0 0 "[ . 1 . 2]" 1
667 1 97 LYS QB 1 98 GLU H 3.166 2.375 3.957 3.179 2.851 3.665 . 0 0 "[ . 1 . 2]" 1
668 1 98 GLU H 1 98 GLU HA 3.239 2.429 4.049 2.982 2.893 3.006 . 0 0 "[ . 1 . 2]" 1
669 1 98 GLU H 1 98 GLU QB 3.511 2.633 4.389 2.509 2.441 2.545 0.192 12 0 "[ . 1 . 2]" 1
670 1 98 GLU H 1 99 SER H 3.909 3.430 4.886 4.599 4.521 4.693 . 0 0 "[ . 1 . 2]" 1
671 1 98 GLU QB 1 99 SER H 3.780 2.835 4.725 2.966 2.813 3.649 0.022 10 0 "[ . 1 . 2]" 1
672 1 99 SER H 1 99 SER HA 3.219 2.414 4.024 2.985 2.963 3.009 . 0 0 "[ . 1 . 2]" 1
673 1 99 SER H 1 99 SER HB2 4.293 3.220 5.366 3.670 3.002 3.980 0.218 9 0 "[ . 1 . 2]" 1
674 1 100 GLN H 1 100 GLN HA 3.195 2.396 3.994 2.933 2.844 3.003 . 0 0 "[ . 1 . 2]" 1
675 1 101 LYS H 1 101 LYS HA 3.645 2.734 4.556 2.867 2.295 3.003 0.439 9 0 "[ . 1 . 2]" 1
676 1 101 LYS HA 1 102 GLU H 3.622 2.717 4.527 2.658 2.356 3.623 0.361 16 0 "[ . 1 . 2]" 1
677 1 101 LYS H 1 102 GLU H 4.761 3.571 5.951 4.356 3.052 4.743 0.519 12 1 "[ . 1 + . 2]" 1
678 1 102 GLU H 1 102 GLU HA 3.174 2.513 3.967 2.682 2.252 3.001 0.261 11 0 "[ . 1 . 2]" 1
679 1 102 GLU H 1 102 GLU QB 3.175 2.668 3.969 2.905 2.305 3.644 0.363 3 0 "[ . 1 . 2]" 1
680 1 102 GLU H 1 102 GLU QG 3.610 2.708 4.257 3.031 2.370 4.120 0.338 12 0 "[ . 1 . 2]" 1
681 1 102 GLU QB 1 103 ILE H 3.035 2.276 3.794 2.842 1.998 3.807 0.278 9 0 "[ . 1 . 2]" 1
682 1 102 GLU QG 1 103 ILE H 3.502 2.626 4.378 4.023 2.449 4.411 0.177 3 0 "[ . 1 . 2]" 1
683 1 103 ILE H 1 103 ILE HB 3.099 2.978 3.874 3.479 2.695 3.989 0.283 12 0 "[ . 1 . 2]" 1
684 1 103 ILE H 1 103 ILE MG 3.274 2.833 4.093 3.513 2.373 4.034 0.460 13 0 "[ . 1 . 2]" 1
685 1 103 ILE H 1 106 ALA MB 4.225 3.169 5.281 6.213 5.071 7.707 2.426 13 13 "[** *. **** *+-* * *]" 1
686 1 18 PHE HA 1 106 ALA H 4.632 3.474 5.790 5.357 4.313 6.099 0.309 12 0 "[ . 1 . 2]" 1
687 1 18 PHE H 1 106 ALA H 5.016 3.762 6.270 6.720 6.217 7.345 1.075 11 9 "[ * *. ** *+* . -* 2]" 1
688 1 105 PRO HA 1 106 ALA H 2.791 2.093 3.489 2.311 2.212 2.395 . 0 0 "[ . 1 . 2]" 1
689 1 106 ALA H 1 106 ALA HA 3.359 2.806 4.199 2.901 2.849 2.988 . 0 0 "[ . 1 . 2]" 1
690 1 106 ALA H 1 106 ALA MB 2.810 2.417 3.512 2.189 2.073 2.338 0.344 2 0 "[ . 1 . 2]" 1
691 1 17 ASN HA 1 107 MET H 4.803 3.602 6.004 6.014 5.106 6.893 0.889 19 8 "[ * ** *1 -.* +*]" 1
692 1 18 PHE H 1 107 MET H 4.766 3.574 5.958 6.665 5.109 7.797 1.839 19 10 "[* * ** -1 *.* *+*]" 1
693 1 106 ALA HA 1 107 MET H 3.102 2.327 3.877 2.219 2.166 2.314 0.161 19 0 "[ . 1 . 2]" 1
694 1 106 ALA MB 1 107 MET H 3.158 2.369 3.947 3.005 2.902 3.493 . 0 0 "[ . 1 . 2]" 1
695 1 107 MET H 1 107 MET HA 3.624 2.718 4.530 2.971 2.872 3.003 . 0 0 "[ . 1 . 2]" 1
696 1 107 MET H 1 107 MET ME 3.216 2.412 4.020 3.556 2.828 4.619 0.599 18 1 "[ . 1 . + 2]" 1
697 1 107 MET H 1 108 LYS H 4.112 3.084 4.696 4.537 4.456 4.617 . 0 0 "[ . 1 . 2]" 1
698 1 107 MET HA 1 108 LYS H 2.795 2.096 3.494 2.305 2.149 2.439 . 0 0 "[ . 1 . 2]" 1
699 1 107 MET QB 1 108 LYS H 3.380 2.535 3.492 2.944 2.676 3.705 0.213 4 0 "[ . 1 . 2]" 1
700 1 108 LYS H 1 108 LYS HA 3.401 2.551 4.251 2.949 2.874 3.006 . 0 0 "[ . 1 . 2]" 1
701 1 108 LYS H 1 108 LYS QB 2.727 2.045 3.409 2.548 2.285 2.815 . 0 0 "[ . 1 . 2]" 1
702 1 108 LYS H 1 108 LYS QG 2.939 2.204 3.674 2.731 2.111 3.356 0.093 3 0 "[ . 1 . 2]" 1
703 1 2 ALA HA 1 2 ALA MB 3.238 2.428 4.048 2.213 2.209 2.220 0.219 12 0 "[ . 1 . 2]" 1
704 1 4 LEU HA 1 4 LEU QD . 3.293 4.350 2.743 2.663 2.908 0.630 18 18 "[******* ***** *-*+**]" 1
705 1 4 LEU HA 1 4 LEU HG 4.347 3.260 5.434 4.279 4.235 4.359 . 0 0 "[ . 1 . 2]" 1
706 1 3 PHE HA 1 4 LEU QD 4.051 3.038 5.064 2.676 2.634 2.879 0.404 1 0 "[ . 1 . 2]" 1
707 1 3 PHE H 1 4 LEU QD 3.711 2.783 4.639 3.532 3.430 3.589 . 0 0 "[ . 1 . 2]" 1
708 1 4 LEU QD 1 5 VAL H 3.940 2.955 4.925 4.128 4.075 4.215 . 0 0 "[ . 1 . 2]" 1
709 1 4 LEU QD 1 83 TYR H 4.896 3.672 6.120 5.395 4.885 5.893 . 0 0 "[ . 1 . 2]" 1
710 1 5 VAL HA 1 5 VAL HB 3.931 2.948 4.914 2.480 2.389 2.512 0.559 12 4 "[ . **1 + . - 2]" 1
711 1 5 VAL HB 1 20 LEU HG 4.085 3.064 5.106 5.445 5.392 5.547 0.441 18 0 "[ . 1 . 2]" 1
712 1 5 VAL HB 1 22 PHE HZ 4.356 3.267 5.445 5.062 4.851 5.568 0.123 9 0 "[ . 1 . 2]" 1
713 1 4 LEU HA 1 5 VAL QG 4.516 3.387 5.566 3.150 3.026 3.229 0.361 8 0 "[ . 1 . 2]" 1
714 1 4 LEU QB 1 5 VAL QG 3.674 2.756 4.592 4.030 3.968 4.083 . 0 0 "[ . 1 . 2]" 1
715 1 5 VAL HA 1 5 VAL QG 3.631 2.805 4.539 2.615 2.544 2.777 0.261 3 0 "[ . 1 . 2]" 1
716 1 5 VAL MG1 1 5 VAL MG2 2.135 . 2.669 2.118 2.105 2.137 . 0 0 "[ . 1 . 2]" 1
717 1 5 VAL QG 1 20 LEU HG 3.090 2.317 3.848 2.338 2.263 2.488 0.054 5 0 "[ . 1 . 2]" 1
718 1 5 VAL QG 1 22 PHE HZ 3.285 2.464 4.106 2.752 2.637 2.992 . 0 0 "[ . 1 . 2]" 1
719 1 5 VAL QG 1 83 TYR HA 4.080 3.060 5.100 3.982 3.706 4.480 . 0 0 "[ . 1 . 2]" 1
720 1 5 VAL QG 1 6 GLN HA 4.668 3.501 5.835 3.791 3.638 3.877 . 0 0 "[ . 1 . 2]" 1
721 1 5 VAL QG 1 20 LEU QB 3.593 2.695 4.491 2.424 2.386 2.496 0.309 3 0 "[ . 1 . 2]" 1
722 1 5 VAL QG 1 20 LEU QD 4.894 3.671 6.117 2.410 2.288 2.607 1.383 5 20 [***-+***************] 1
723 1 5 VAL QG 1 20 LEU H 4.105 3.079 5.131 3.785 3.507 3.988 . 0 0 "[ . 1 . 2]" 1
724 1 5 VAL QG 1 22 PHE QD 3.180 2.385 3.975 2.882 2.810 2.948 . 0 0 "[ . 1 . 2]" 1
725 1 7 VAL HA 1 7 VAL HB 3.902 2.927 4.877 2.739 2.502 3.098 0.425 3 0 "[ . 1 . 2]" 1
726 1 6 GLN HA 1 7 VAL QG 3.948 2.961 4.935 3.406 3.256 3.524 . 0 0 "[ . 1 . 2]" 1
727 1 7 VAL HA 1 7 VAL QG 3.490 2.617 4.363 2.396 2.291 2.526 0.326 15 0 "[ . 1 . 2]" 1
728 1 7 VAL QG 1 86 LEU HA 4.030 3.022 5.038 4.887 4.711 5.166 0.128 9 0 "[ . 1 . 2]" 1
729 1 7 VAL HA 1 8 ALA HA 5.694 4.270 7.118 4.509 4.484 4.544 . 0 0 "[ . 1 . 2]" 1
730 1 7 VAL QG 1 8 ALA HA 4.883 3.662 6.104 4.142 3.717 4.412 . 0 0 "[ . 1 . 2]" 1
731 1 7 VAL H 1 8 ALA HA 4.677 3.508 5.846 4.995 4.932 5.034 . 0 0 "[ . 1 . 2]" 1
732 1 8 ALA HA 1 17 ASN HA 4.324 3.741 5.405 3.100 2.852 3.189 0.889 2 20 [*+************-*****] 1
733 1 8 ALA HA 1 17 ASN QB 5.369 4.027 6.711 5.197 4.793 5.451 . 0 0 "[ . 1 . 2]" 1
734 1 7 VAL HA 1 8 ALA MB 4.356 3.267 5.445 3.907 3.849 3.963 . 0 0 "[ . 1 . 2]" 1
735 1 7 VAL HB 1 8 ALA MB 3.902 2.927 4.877 4.862 4.758 5.070 0.193 14 0 "[ . 1 . 2]" 1
736 1 7 VAL H 1 8 ALA MB 4.213 3.160 5.266 4.382 4.289 4.444 . 0 0 "[ . 1 . 2]" 1
737 1 8 ALA MB 1 17 ASN HA 4.094 3.070 5.118 2.504 2.350 2.600 0.720 1 16 "[+****-** ** *** ***]" 1
738 1 8 ALA MB 1 17 ASN QB 4.616 3.462 5.770 3.809 3.147 4.275 0.315 2 0 "[ . 1 . 2]" 1
739 1 8 ALA MB 1 86 LEU QB 4.041 3.031 5.051 4.730 4.407 4.894 . 0 0 "[ . 1 . 2]" 1
740 1 8 ALA MB 1 87 TYR HA 4.224 3.168 5.280 2.797 2.677 3.032 0.491 18 0 "[ . 1 . 2]" 1
741 1 8 ALA HA 1 9 ALA MB 4.115 3.086 5.144 3.831 3.689 4.138 . 0 0 "[ . 1 . 2]" 1
742 1 8 ALA MB 1 9 ALA MB 3.820 2.865 4.775 4.267 4.186 4.487 . 0 0 "[ . 1 . 2]" 1
743 1 9 ALA MB 1 16 VAL QG 3.698 3.147 4.623 2.265 2.160 2.930 0.987 11 19 "[* **-*****+*********]" 1
744 1 9 ALA MB 1 87 TYR QE 4.978 3.734 6.222 4.854 4.199 5.292 . 0 0 "[ . 1 . 2]" 1
745 1 9 ALA MB 1 88 VAL HB 3.838 3.477 4.797 2.554 2.089 4.584 1.388 5 19 "[* **+*********-*****]" 1
746 1 9 ALA MB 1 88 VAL QG 3.593 3.296 4.491 2.876 2.078 3.098 1.218 2 3 "[ +- * 1 . 2]" 1
747 1 11 ILE HA 1 11 ILE MD 4.000 3.000 5.000 2.736 1.753 4.261 1.247 12 10 "[* *** ** + *- *2]" 1
748 1 11 ILE HB 1 11 ILE MD 4.194 3.146 4.500 2.788 2.235 3.236 0.911 13 10 "[ ** *-** +*. * *2]" 1
749 1 11 ILE MD 1 11 ILE MG 3.254 2.440 4.042 2.435 1.431 3.329 1.009 11 9 "[ ***. ** 1+ - * *]" 1
750 1 11 ILE H 1 11 ILE MD 4.367 3.275 5.459 3.820 1.626 4.953 1.649 16 3 "[ . 1 -+ *]" 1
751 1 16 VAL HA 1 107 MET QB 4.574 3.431 5.717 5.085 3.301 5.862 0.145 17 0 "[ . 1 . 2]" 1
752 1 16 VAL QG 1 38 ALA MB 3.765 2.824 4.586 2.278 2.184 2.818 0.640 4 16 "[* *+.*** *****-** **]" 1
753 1 20 LEU HA 1 20 LEU QD 3.331 2.498 4.164 2.571 2.532 2.595 . 0 0 "[ . 1 . 2]" 1
754 1 20 LEU HA 1 20 LEU HG 4.107 3.080 5.134 3.641 3.588 3.685 . 0 0 "[ . 1 . 2]" 1
755 1 20 LEU HG 1 21 SER H 4.079 3.059 5.099 3.405 3.193 3.488 . 0 0 "[ . 1 . 2]" 1
756 1 4 LEU QB 1 21 SER QB 4.237 3.178 5.296 3.151 2.918 3.426 0.260 2 0 "[ . 1 . 2]" 1
757 1 4 LEU QD 1 21 SER QB 3.598 2.699 4.497 2.254 2.225 2.350 0.474 5 0 "[ . 1 . 2]" 1
758 1 20 LEU HA 1 21 SER QB 4.438 3.329 5.547 4.451 4.411 4.514 . 0 0 "[ . 1 . 2]" 1
759 1 27 SER QB 1 28 ILE HB 4.834 3.738 6.042 5.213 5.145 5.330 . 0 0 "[ . 1 . 2]" 1
760 1 28 ILE HA 1 28 ILE MD 4.494 3.370 4.684 1.883 1.774 2.035 1.596 7 20 [****-*+*************] 1
761 1 28 ILE HA 1 28 ILE QG 4.553 3.415 5.081 3.095 2.898 3.276 0.517 11 1 "[ . 1+ . 2]" 1
762 1 28 ILE HA 1 28 ILE MG 3.689 2.767 4.374 3.414 3.406 3.423 . 0 0 "[ . 1 . 2]" 1
763 1 27 SER HA 1 28 ILE HB 4.808 3.606 6.010 4.638 4.470 4.852 . 0 0 "[ . 1 . 2]" 1
764 1 28 ILE HB 1 28 ILE MD . 3.190 4.142 3.011 2.809 3.160 0.381 2 0 "[ . 1 . 2]" 1
765 1 27 SER HA 1 28 ILE MD 4.002 3.002 5.002 5.682 5.558 5.780 0.778 5 20 [*-**+***************] 1
766 1 28 ILE MD 1 28 ILE MG 3.021 2.463 3.776 2.871 2.528 3.181 . 0 0 "[ . 1 . 2]" 1
767 1 28 ILE MD 1 31 LEU QD 2.827 2.120 3.534 1.756 1.375 3.355 0.745 7 8 "[* * . + 1 *-*. * *]" 1
768 1 28 ILE MD 1 31 LEU HG 3.444 3.169 4.305 2.615 2.275 3.438 0.894 3 15 "[ *+ ** -**********]" 1
769 1 28 ILE MD 1 77 GLU QB 4.031 3.023 5.039 6.093 4.718 6.639 1.600 7 17 "[* * **+- ***********]" 1
770 1 28 ILE QG 1 28 ILE MG 3.833 2.875 4.791 2.245 2.191 2.308 0.684 7 20 [******+***-*********] 1
771 1 29 SER HA 1 29 SER QB 3.265 2.449 4.081 2.358 2.258 2.428 0.191 13 0 "[ . 1 . 2]" 1
772 1 28 ILE QG 1 30 GLU HA 5.314 3.986 6.642 7.585 7.439 7.678 1.036 15 20 [***-**********+*****] 1
773 1 29 SER HA 1 30 GLU HA 5.517 4.138 6.896 4.967 4.923 5.015 . 0 0 "[ . 1 . 2]" 1
774 1 30 GLU HA 1 30 GLU QG 3.957 2.968 4.556 2.731 2.413 2.879 0.555 1 2 "[+ . - 1 . 2]" 1
775 1 30 GLU HA 1 31 LEU H 4.735 3.551 5.919 3.597 3.572 3.626 . 0 0 "[ . 1 . 2]" 1
776 1 28 ILE QG 1 30 GLU QB 4.596 3.447 5.745 6.046 5.848 6.355 0.610 9 2 "[ - . +1 . 2]" 1
777 1 29 SER HA 1 30 GLU QG 4.515 3.386 5.644 5.527 5.105 6.790 1.146 10 5 "[* *. -* + . 2]" 1
778 1 30 GLU QB 1 30 GLU QG 3.120 2.340 3.900 2.099 2.076 2.165 0.264 10 0 "[ . 1 . 2]" 1
779 1 28 ILE QG 1 31 LEU HA 4.175 3.131 5.219 6.591 6.330 6.828 1.609 8 20 [*******+**-*********] 1
780 1 30 GLU QG 1 31 LEU HA 4.430 3.322 5.538 5.548 4.001 5.908 0.370 16 0 "[ . 1 . 2]" 1
781 1 31 LEU HA 1 31 LEU QD 3.868 3.246 4.275 2.864 2.330 3.101 0.916 4 3 "[ +. *-1 . 2]" 1
782 1 31 LEU HA 1 31 LEU HG 4.912 3.684 5.904 3.852 3.616 4.041 0.068 9 0 "[ . 1 . 2]" 1
783 1 28 ILE HA 1 31 LEU QB 4.599 3.649 5.749 3.151 2.846 3.347 0.803 9 9 "[ * ** *+** - *2]" 1
784 1 28 ILE QG 1 31 LEU QB 3.806 3.265 4.757 3.891 3.565 4.170 . 0 0 "[ . 1 . 2]" 1
785 1 30 GLU QG 1 31 LEU QB 5.153 3.865 6.441 5.400 4.731 5.539 . 0 0 "[ . 1 . 2]" 1
786 1 30 GLU H 1 31 LEU QB 4.242 3.182 5.302 4.469 4.327 4.541 . 0 0 "[ . 1 . 2]" 1
787 1 31 LEU MD1 1 31 LEU MD2 2.154 . 2.692 2.058 1.987 2.162 . 0 0 "[ . 1 . 2]" 1
788 1 28 ILE HA 1 31 LEU HG 4.089 3.067 5.111 5.306 5.064 5.417 0.306 12 0 "[ . 1 . 2]" 1
789 1 31 LEU QB 1 32 THR HA 5.380 4.035 6.725 4.725 4.145 4.830 . 0 0 "[ . 1 . 2]" 1
790 1 31 LEU QD 1 32 THR HA 4.475 3.356 5.594 2.735 2.354 3.272 1.002 3 18 "[**+**** ****-******]" 1
791 1 32 THR HA 1 32 THR HG1 3.995 2.996 4.164 2.366 2.269 2.415 0.727 4 20 [***+*********-******] 1
792 1 32 THR HB 1 33 ARG H 6.221 4.666 7.776 3.809 3.635 3.918 1.031 4 20 [***+*********-******] 1
793 1 31 LEU QB 1 32 THR HG1 3.945 2.959 4.931 3.738 3.028 3.862 . 0 0 "[ . 1 . 2]" 1
794 1 31 LEU QD 1 32 THR HG1 3.411 2.558 4.264 2.859 2.616 3.199 . 0 0 "[ . 1 . 2]" 1
795 1 32 THR HG1 1 58 SER QB 3.742 2.969 4.677 3.230 2.910 3.354 0.059 7 0 "[ . 1 . 2]" 1
796 1 31 LEU QB 1 33 ARG QD 4.744 3.558 5.930 6.217 5.652 7.241 1.311 7 8 "[ * + *1* *-. **]" 1
797 1 33 ARG HA 1 33 ARG QD 4.377 3.283 5.471 4.138 3.955 4.730 . 0 0 "[ . 1 . 2]" 1
798 1 31 LEU QD 1 35 ALA HA 3.707 2.780 4.634 4.667 4.512 4.822 0.188 16 0 "[ . 1 . 2]" 1
799 1 7 VAL HB 1 35 ALA MB 4.084 3.063 5.105 3.037 2.599 4.252 0.464 8 0 "[ . 1 . 2]" 1
800 1 7 VAL QG 1 35 ALA MB 3.230 2.423 4.037 2.396 2.094 2.558 0.329 15 0 "[ . 1 . 2]" 1
801 1 34 SER HA 1 35 ALA MB 4.309 3.232 5.386 5.096 5.052 5.118 . 0 0 "[ . 1 . 2]" 1
802 1 34 SER H 1 35 ALA MB 4.539 3.404 5.674 4.503 4.308 4.585 . 0 0 "[ . 1 . 2]" 1
803 1 35 ALA MB 1 36 GLU QG 4.320 3.240 5.400 3.047 2.960 3.193 0.280 9 0 "[ . 1 . 2]" 1
804 1 33 ARG HA 1 36 GLU HA 4.974 3.730 6.218 6.145 5.711 6.471 0.253 5 0 "[ . 1 . 2]" 1
805 1 35 ALA MB 1 36 GLU HA 5.002 3.751 6.253 3.923 3.785 3.994 . 0 0 "[ . 1 . 2]" 1
806 1 36 GLU HA 1 36 GLU QG 3.661 3.530 4.576 2.706 2.674 2.758 0.856 5 20 [****+*********-*****] 1
807 1 36 GLU HA 1 37 THR H 4.855 3.641 6.069 3.540 3.516 3.563 0.125 7 0 "[ . 1 . 2]" 1
808 1 33 ARG HA 1 36 GLU QG 5.205 3.904 6.506 4.289 3.797 4.713 0.107 2 0 "[ . 1 . 2]" 1
809 1 36 GLU QG 1 37 THR HA 5.147 4.133 6.434 5.985 5.964 6.009 . 0 0 "[ . 1 . 2]" 1
810 1 37 THR HA 1 37 THR HG1 3.690 2.767 3.952 2.287 2.096 2.386 0.671 20 6 "[ - .** 1* * . +]" 1
811 1 36 GLU QG 1 37 THR HG1 4.793 3.595 5.991 5.021 4.671 5.665 . 0 0 "[ . 1 . 2]" 1
812 1 37 THR HG1 1 38 ALA HA 4.456 3.342 5.570 4.245 3.920 4.400 . 0 0 "[ . 1 . 2]" 1
813 1 37 THR H 1 38 ALA HA 4.143 3.107 5.179 5.194 5.132 5.288 0.109 2 0 "[ . 1 . 2]" 1
814 1 39 PHE QB 1 40 SER QB 4.404 4.048 5.505 4.707 4.553 4.943 . 0 0 "[ . 1 . 2]" 1
815 1 40 SER QB 1 44 SER H 3.472 2.604 4.340 4.354 4.126 4.520 0.180 3 0 "[ . 1 . 2]" 1
816 1 38 ALA HA 1 41 ASN QB 4.635 3.800 5.794 3.398 2.988 4.281 0.812 1 10 "[+ *-* 1 **.* ***]" 1
817 1 43 ILE HB 1 43 ILE MD 4.159 3.119 4.296 2.772 2.322 3.249 0.797 2 12 "[*+ .* * 1 - *******]" 1
818 1 39 PHE QB 1 43 ILE MD 3.714 2.785 4.643 4.034 2.622 4.854 0.211 5 0 "[ . 1 . 2]" 1
819 1 43 ILE HA 1 43 ILE MD 3.757 2.818 4.696 2.870 1.763 3.892 1.055 7 8 "[ * * + ***-* . 2]" 1
820 1 43 ILE MD 1 43 ILE MG 3.354 2.515 4.179 2.181 1.665 3.336 0.850 18 12 "[* **-* * 1* *** + *]" 1
821 1 43 ILE HA 1 43 ILE MG 4.330 3.248 5.412 2.557 2.460 2.658 0.788 4 20 [***+***-************] 1
822 1 43 ILE MG 1 44 SER HA 4.039 3.029 5.049 3.672 3.445 3.961 . 0 0 "[ . 1 . 2]" 1
823 1 43 ILE HB 1 44 SER QB 4.499 3.374 5.624 4.664 4.443 5.167 . 0 0 "[ . 1 . 2]" 1
824 1 44 SER H 1 44 SER QB 4.275 3.206 5.344 2.518 2.430 2.645 0.776 16 20 [***************+**-*] 1
825 1 45 LEU HA 1 45 LEU MD2 3.880 2.910 3.897 3.715 2.541 3.956 0.369 14 0 "[ . 1 . 2]" 1
826 1 45 LEU HA 1 45 LEU HB3 3.949 2.962 4.936 2.746 2.649 2.841 0.313 6 0 "[ . 1 . 2]" 1
827 1 45 LEU HB3 1 45 LEU MD2 3.498 2.716 4.011 2.499 2.438 2.585 0.278 13 0 "[ . 1 . 2]" 1
828 1 45 LEU HB2 1 45 LEU MD2 3.572 2.679 4.465 2.684 2.479 3.345 0.200 9 0 "[ . 1 . 2]" 1
829 1 41 ASN HA 1 45 LEU MD1 3.812 2.859 4.765 3.866 3.103 4.230 . 0 0 "[ . 1 . 2]" 1
830 1 41 ASN QB 1 45 LEU MD1 4.013 3.010 5.016 3.887 3.441 4.294 . 0 0 "[ . 1 . 2]" 1
831 1 45 LEU HB2 1 45 LEU MD1 3.082 2.311 3.853 2.553 2.262 2.744 0.049 18 0 "[ . 1 . 2]" 1
832 1 45 LEU H 1 45 LEU MD2 3.857 2.893 4.821 4.156 3.955 4.338 . 0 0 "[ . 1 . 2]" 1
833 1 45 LEU HA 1 45 LEU HG 3.749 2.812 4.686 2.632 2.474 2.839 0.338 13 0 "[ . 1 . 2]" 1
834 1 46 ARG QB 1 46 ARG QD . 3.328 4.310 2.661 2.495 2.820 0.833 6 20 [*****+******-*******] 1
835 1 46 ARG HA 1 46 ARG QD 3.930 2.947 4.913 3.115 2.574 4.481 0.373 10 0 "[ . 1 . 2]" 1
836 1 46 ARG HA 1 46 ARG QG 4.394 3.295 5.493 2.883 2.580 3.578 0.715 8 12 "[** -.**+*1 * **** 2]" 1
837 1 49 ASP H 1 50 ASN HB2 4.040 3.030 5.050 5.063 4.681 5.642 0.592 14 3 "[ . - 1 +. *]" 1
838 1 50 ASN HA 1 50 ASN HB3 3.612 2.709 4.515 3.094 3.056 3.130 . 0 0 "[ . 1 . 2]" 1
839 1 50 ASN HA 1 50 ASN HB2 3.532 2.649 4.415 2.647 2.509 2.714 0.140 6 0 "[ . 1 . 2]" 1
840 1 51 VAL HA 1 52 PRO HA 4.508 3.381 5.635 4.687 4.654 4.808 . 0 0 "[ . 1 . 2]" 1
841 1 51 VAL HA 1 52 PRO QD 4.652 3.489 5.815 2.386 2.289 2.449 1.200 6 20 [*****+*-************] 1
842 1 50 ASN HB2 1 51 VAL QG 4.215 3.161 5.269 4.162 3.936 4.716 . 0 0 "[ . 1 . 2]" 1
843 1 50 ASN HB3 1 51 VAL QG 4.439 3.329 5.549 2.967 2.573 4.021 0.756 16 9 "[ ** *-1 * *+ **]" 1
844 1 51 VAL QG 1 52 PRO QD 3.850 2.888 4.812 3.418 3.316 3.896 . 0 0 "[ . 1 . 2]" 1
845 1 52 PRO HA 1 52 PRO QD 4.409 3.307 5.511 3.568 3.513 3.624 . 0 0 "[ . 1 . 2]" 1
846 1 57 HIS HB2 1 58 SER H 4.803 3.602 6.004 3.428 3.134 4.233 0.468 17 0 "[ . 1 . 2]" 1
847 1 57 HIS HB2 1 58 SER QB 5.352 4.014 6.690 5.299 4.880 6.245 . 0 0 "[ . 1 . 2]" 1
848 1 57 HIS H 1 58 SER QB 5.159 3.869 6.449 6.086 5.676 6.247 . 0 0 "[ . 1 . 2]" 1
849 1 58 SER HA 1 59 SER HB3 3.851 2.888 4.814 4.790 4.700 4.982 0.168 2 0 "[ . 1 . 2]" 1
850 1 59 SER HA 1 59 SER HB3 3.830 2.873 4.787 2.531 2.442 3.095 0.431 5 0 "[ . 1 . 2]" 1
851 1 59 SER HB3 1 90 GLN HA 4.599 3.449 5.749 4.360 3.295 4.835 0.154 2 0 "[ . 1 . 2]" 1
852 1 61 ILE HB 1 61 ILE MD 3.784 2.838 3.801 2.822 2.227 3.228 0.611 7 3 "[ * - + 1 . 2]" 1
853 1 61 ILE HA 1 61 ILE MD 4.364 3.273 5.455 2.871 1.853 3.746 1.420 15 9 "[* *. * 1 -**+* *2]" 1
854 1 61 ILE HA 1 61 ILE MG 3.805 2.854 4.756 2.543 2.364 2.607 0.490 9 0 "[ . 1 . 2]" 1
855 1 61 ILE MD 1 61 ILE MG 2.809 2.107 3.511 2.249 1.584 3.300 0.523 20 3 "[ .- 1* . +]" 1
856 1 61 ILE MG 1 62 LYS H 3.716 2.787 4.645 2.798 2.447 3.440 0.340 17 0 "[ . 1 . 2]" 1
857 1 61 ILE MG 1 86 LEU QD 2.644 . 3.305 2.156 2.079 2.221 . 0 0 "[ . 1 . 2]" 1
858 1 62 LYS QB 1 62 LYS QD 3.852 2.889 4.742 2.439 2.406 2.632 0.483 15 0 "[ . 1 . 2]" 1
859 1 62 LYS HA 1 62 LYS QD 4.487 3.365 5.609 2.581 2.557 2.605 0.808 17 20 [*********-******+***] 1
860 1 62 LYS QD 1 63 MET H 5.060 3.795 6.325 3.875 3.746 4.001 0.049 17 0 "[ . 1 . 2]" 1
861 1 63 MET HA 1 63 MET ME 4.056 3.042 5.070 4.653 4.163 4.792 . 0 0 "[ . 1 . 2]" 1
862 1 63 MET H 1 63 MET ME 4.250 3.187 5.313 4.593 4.509 4.697 . 0 0 "[ . 1 . 2]" 1
863 1 63 MET ME 1 72 VAL QG 2.837 2.128 3.546 2.174 2.040 2.410 0.088 10 0 "[ . 1 . 2]" 1
864 1 63 MET ME 1 81 THR HG1 3.585 2.689 4.481 2.792 2.483 3.240 0.206 19 0 "[ . 1 . 2]" 1
865 1 63 MET QB 1 72 VAL QG 4.124 3.093 4.171 2.403 2.026 2.496 1.067 5 20 [****+*****-*********] 1
866 1 64 TYR HA 1 64 TYR QD 4.535 3.401 5.669 2.752 2.662 2.823 0.739 5 20 [****+*********-*****] 1
867 1 65 ASP QB 1 71 TRP HA 5.092 3.819 6.365 5.297 4.962 5.463 . 0 0 "[ . 1 . 2]" 1
868 1 65 ASP QB 1 72 VAL QG 4.041 3.031 5.051 2.619 2.312 2.953 0.719 10 4 "[ -* * + . 2]" 1
869 1 65 ASP H 1 66 GLU HA 4.178 3.134 5.222 4.873 4.760 5.036 . 0 0 "[ . 1 . 2]" 1
870 1 66 GLU HA 1 66 GLU QG 3.930 2.993 4.913 3.135 2.340 3.514 0.653 8 2 "[- . + 1 . 2]" 1
871 1 65 ASP H 1 66 GLU QB 4.467 3.350 5.584 5.566 5.260 6.027 0.443 20 0 "[ . 1 . 2]" 1
872 1 67 GLU HA 1 67 GLU QB 3.253 2.612 4.066 2.525 2.484 2.603 0.128 14 0 "[ . 1 . 2]" 1
873 1 67 GLU HA 1 68 LEU QD 4.715 3.536 5.894 4.271 4.189 4.333 . 0 0 "[ . 1 . 2]" 1
874 1 67 GLU HA 1 68 LEU H 4.563 3.422 5.704 3.503 3.482 3.516 . 0 0 "[ . 1 . 2]" 1
875 1 67 GLU QB 1 68 LEU QD 4.399 3.299 4.561 2.236 2.200 2.273 1.099 20 20 [*-*****************+] 1
876 1 67 GLU HA 1 67 GLU QG 3.690 2.767 4.613 2.712 2.388 2.855 0.379 18 0 "[ . 1 . 2]" 1
877 1 67 GLU QG 1 68 LEU QD 3.976 2.982 4.970 3.807 3.614 4.089 . 0 0 "[ . 1 . 2]" 1
878 1 68 LEU HA 1 68 LEU QD 3.630 2.827 3.698 3.425 3.375 3.457 . 0 0 "[ . 1 . 2]" 1
879 1 68 LEU HA 1 68 LEU HG 4.623 3.467 5.350 4.017 3.998 4.032 . 0 0 "[ . 1 . 2]" 1
880 1 67 GLU QB 1 68 LEU QB 4.653 3.490 5.816 4.169 4.061 4.250 . 0 0 "[ . 1 . 2]" 1
881 1 68 LEU QB 1 68 LEU QD 3.628 2.721 4.116 2.037 2.020 2.047 0.701 4 20 [***+**********-*****] 1
882 1 68 LEU MD1 1 68 LEU MD2 1.881 . 2.351 2.083 2.056 2.110 . 0 0 "[ . 1 . 2]" 1
883 1 68 LEU QB 1 69 ASN HA 4.784 3.588 5.980 5.400 5.304 5.446 . 0 0 "[ . 1 . 2]" 1
884 1 68 LEU QD 1 69 ASN HA 5.119 3.839 6.399 4.902 4.877 4.927 . 0 0 "[ . 1 . 2]" 1
885 1 68 LEU H 1 69 ASN HA 4.572 3.429 5.715 4.290 4.256 4.358 . 0 0 "[ . 1 . 2]" 1
886 1 68 LEU QB 1 69 ASN QB 5.336 4.002 6.670 4.739 4.710 4.754 . 0 0 "[ . 1 . 2]" 1
887 1 72 VAL HA 1 72 VAL HB 3.694 2.770 4.618 2.435 2.362 2.466 0.408 5 0 "[ . 1 . 2]" 1
888 1 72 VAL HA 1 72 VAL QG 3.368 2.909 4.210 2.706 2.669 2.808 0.240 6 0 "[ . 1 . 2]" 1
889 1 63 MET HA 1 72 VAL QG 4.386 3.290 5.482 4.326 4.281 4.379 . 0 0 "[ . 1 . 2]" 1
890 1 31 LEU QB 1 74 LEU HG 3.819 2.864 4.774 5.942 5.014 9.554 4.780 9 18 "[ ***** *+**-********]" 1
891 1 75 ILE HA 1 75 ILE HB 3.476 2.607 4.345 2.966 2.546 3.103 0.061 5 0 "[ . 1 . 2]" 1
892 1 75 ILE HB 1 75 ILE MD 3.120 2.340 3.814 2.880 2.337 3.251 0.003 2 0 "[ . 1 . 2]" 1
893 1 74 LEU QB 1 75 ILE MD 3.780 2.835 4.725 4.667 4.035 6.384 1.659 5 2 "[ + - 1 . 2]" 1
894 1 75 ILE HA 1 75 ILE MD 3.712 2.784 4.640 2.952 2.412 4.269 0.372 19 0 "[ . 1 . 2]" 1
895 1 75 ILE HA 1 75 ILE QG 4.385 3.300 5.481 3.326 2.964 3.807 0.336 2 0 "[ . 1 . 2]" 1
896 1 75 ILE QG 1 76 ARG H 4.577 3.433 5.721 4.565 3.812 4.864 . 0 0 "[ . 1 . 2]" 1
897 1 28 ILE MD 1 76 ARG QB 4.648 3.486 5.810 4.672 3.567 5.545 . 0 0 "[ . 1 . 2]" 1
898 1 28 ILE MD 1 76 ARG QG 4.036 3.027 5.045 4.150 2.793 6.145 1.100 9 2 "[ - . +1 . 2]" 1
899 1 75 ILE HB 1 76 ARG QB 4.333 3.250 5.416 5.428 4.995 5.694 0.278 2 0 "[ . 1 . 2]" 1
900 1 75 ILE H 1 76 ARG QG 4.662 3.497 5.827 4.861 3.713 5.163 . 0 0 "[ . 1 . 2]" 1
901 1 76 ARG HA 1 76 ARG QG 4.343 3.257 5.429 2.631 2.589 2.777 0.668 4 19 "[*-*+**** ***********]" 1
902 1 28 ILE MD 1 77 GLU HA 4.150 3.113 5.187 5.047 3.775 5.469 0.282 3 0 "[ . 1 . 2]" 1
903 1 28 ILE QG 1 77 GLU HA 4.663 3.497 5.829 4.775 4.164 5.128 . 0 0 "[ . 1 . 2]" 1
904 1 28 ILE MG 1 77 GLU HA 3.830 2.872 4.788 4.172 3.665 4.730 . 0 0 "[ . 1 . 2]" 1
905 1 76 ARG HA 1 77 GLU HA 5.066 3.799 6.333 4.450 4.411 4.591 . 0 0 "[ . 1 . 2]" 1
906 1 79 GLN HA 1 79 GLN QG 4.525 3.394 5.656 3.398 2.658 3.655 0.736 19 4 "[ - * * . +2]" 1
907 1 80 LEU HA 1 81 THR HG1 5.182 3.887 6.477 4.840 4.388 5.281 . 0 0 "[ . 1 . 2]" 1
908 1 81 THR HA 1 81 THR HG1 3.463 2.597 4.329 2.540 2.326 2.982 0.271 6 0 "[ . 1 . 2]" 1
909 1 81 THR HG1 1 82 ASP HB3 4.526 3.696 5.657 3.853 2.981 4.630 0.715 2 2 "[ + . 1 -. 2]" 1
910 1 81 THR HG1 1 84 CYS QB 4.752 3.579 5.940 3.714 2.290 4.404 1.289 10 3 "[ . * + - 2]" 1
911 1 82 ASP HA 1 82 ASP HB3 3.893 2.921 4.866 2.943 2.583 3.138 0.338 3 0 "[ . 1 . 2]" 1
912 1 82 ASP HA 1 82 ASP HB2 3.970 2.977 4.913 2.846 2.624 3.135 0.353 7 0 "[ . 1 . 2]" 1
913 1 82 ASP HA 1 83 TYR H 3.734 2.801 4.667 2.797 2.398 3.623 0.403 14 0 "[ . 1 . 2]" 1
914 1 81 THR HG1 1 82 ASP HB2 4.010 3.008 5.012 3.199 2.691 4.181 0.317 18 0 "[ . 1 . 2]" 1
915 1 5 VAL HA 1 83 TYR HA 4.628 3.471 5.785 4.103 3.346 4.469 0.125 5 0 "[ . 1 . 2]" 1
916 1 83 TYR HA 1 83 TYR HB3 3.812 2.859 4.126 2.559 2.510 2.713 0.349 10 0 "[ . 1 . 2]" 1
917 1 83 TYR HA 1 84 CYS H 4.904 3.678 6.130 3.468 2.915 3.639 0.763 2 2 "[ + . 1 -. 2]" 1
918 1 85 GLN QB 1 85 GLN QG 3.168 2.376 3.960 2.156 2.085 2.180 0.291 16 0 "[ . 1 . 2]" 1
919 1 86 LEU HA 1 86 LEU QD 4.082 3.061 4.575 2.465 2.267 2.582 0.794 9 19 "[* ******+******-****]" 1
920 1 86 LEU QB 1 87 TYR HA 4.807 3.605 6.009 4.141 3.969 4.336 . 0 0 "[ . 1 . 2]" 1
921 1 86 LEU QD 1 86 LEU HG 2.775 2.081 3.245 1.924 1.896 1.940 0.185 10 0 "[ . 1 . 2]" 1
922 1 7 VAL HA 1 86 LEU HG 4.663 3.497 5.829 4.879 4.416 5.078 . 0 0 "[ . 1 . 2]" 1
923 1 86 LEU HA 1 86 LEU HG 4.577 3.433 5.721 2.986 2.800 3.872 0.633 7 16 "[****.*+* 1****.****-]" 1
924 1 9 ALA HA 1 88 VAL QG 3.923 2.942 4.904 3.530 3.243 3.755 . 0 0 "[ . 1 . 2]" 1
925 1 88 VAL HA 1 88 VAL QG 3.714 2.785 4.643 2.285 2.238 2.667 0.547 10 15 "[* *-* *+******** *]" 1
926 1 88 VAL QG 1 89 PHE H 4.038 3.028 5.041 2.520 2.409 2.785 0.619 20 13 "[* *- ***** ** **+]" 1
927 1 36 GLU QG 1 88 VAL QG 4.703 3.527 5.879 4.270 4.033 4.540 . 0 0 "[ . 1 . 2]" 1
928 1 86 LEU HA 1 88 VAL QG 4.764 3.573 5.955 5.036 4.875 5.130 . 0 0 "[ . 1 . 2]" 1
929 1 102 GLU HA 1 102 GLU QG 4.057 3.043 4.345 2.725 2.537 3.529 0.506 14 2 "[ .- 1 +. 2]" 1
930 1 102 GLU HA 1 103 ILE MD 4.743 3.557 5.929 4.099 2.187 6.148 1.370 15 3 "[ . * 1 + - 2]" 1
931 1 103 ILE HA 1 103 ILE MG 4.256 3.192 4.264 2.719 2.472 3.442 0.720 14 12 "[ * *. -**** +* ***2]" 1
932 1 103 ILE HA 1 103 ILE MD 4.055 3.041 5.069 2.995 1.647 4.317 1.394 1 7 "[+ - ** 1 * .* *]" 1
933 1 103 ILE HB 1 103 ILE MD 3.293 2.470 4.116 2.755 2.285 3.233 0.185 11 0 "[ . 1 . 2]" 1
934 1 103 ILE H 1 103 ILE MD 3.960 2.970 4.950 2.804 1.490 4.671 1.480 4 10 "[ * +. * ** ** *-*2]" 1
935 1 103 ILE HA 1 103 ILE QG 4.903 3.677 6.129 3.264 2.329 3.761 1.348 3 8 "[* + ** 1 -* .* *]" 1
936 1 106 ALA HA 1 107 MET QB 4.283 3.212 5.354 4.357 3.842 4.858 . 0 0 "[ . 1 . 2]" 1
937 1 18 PHE HA 1 106 ALA MB 4.428 3.321 5.535 2.875 2.451 3.638 0.870 7 12 "[ * *. +****** * *- 2]" 1
938 1 107 MET HA 1 107 MET QG 4.252 3.189 5.315 3.153 2.397 3.680 0.792 16 4 "[ . 1 - *.+ * 2]" 1
939 1 107 MET H 1 107 MET QG 3.954 2.965 4.943 3.079 2.172 4.346 0.793 2 6 "[ +* . ** 1 - . *2]" 1
940 1 108 LYS HA 1 108 LYS QD 4.230 3.173 5.287 4.024 2.620 4.804 0.553 7 3 "[ . + 1 . *-]" 1
941 1 108 LYS HA 1 108 LYS QG 4.133 3.100 5.166 2.761 2.537 3.509 0.563 6 2 "[ .+ -1 . 2]" 1
942 1 108 LYS QE 1 108 LYS QG 3.987 2.990 4.984 2.551 2.347 3.051 0.643 2 4 "[ + .* 1 * . -]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 25
_Distance_constraint_stats_list.Viol_count 90
_Distance_constraint_stats_list.Viol_total 2038.321
_Distance_constraint_stats_list.Viol_max 6.499
_Distance_constraint_stats_list.Viol_rms 0.6976
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2038
_Distance_constraint_stats_list.Viol_average_violations_only 1.1324
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 17.057 1.118 15 16 "[* *-.*** *****+** **]"
1 9 ALA 16.482 2.117 14 11 "[ ***.***-* * +* 2]"
1 11 ILE 76.293 6.499 4 16 "[***+*****- * *** **]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 1.989 1.038 2 2 "[ + . -1 . 2]"
1 31 LEU 6.576 1.668 2 3 "[ + -. *1 . 2]"
1 35 ALA 0.078 0.043 8 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 17.057 1.118 15 16 "[* *-.*** *****+** **]"
1 39 PHE 14.946 4.935 4 5 "[ +. * **- 2]"
1 43 ILE 44.865 6.499 4 10 "[* +** - *** **]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 8.488 1.668 2 3 "[ + *. -1 . 2]"
1 86 LEU 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 5 VAL CG1 1 20 LEU CB 5.000 3.000 7.000 6.189 5.732 6.313 . 0 0 "[ . 1 . 2]" 2
2 1 7 VAL CB 1 8 ALA CB 5.000 3.000 7.000 5.751 5.725 5.790 . 0 0 "[ . 1 . 2]" 2
3 1 8 ALA CA 1 9 ALA CA 5.000 3.000 7.000 3.940 3.912 3.973 . 0 0 "[ . 1 . 2]" 2
4 1 8 ALA CB 1 9 ALA CA 5.000 3.000 7.000 4.589 4.533 4.696 . 0 0 "[ . 1 . 2]" 2
5 1 8 ALA CB 1 38 ALA CB 5.000 3.000 7.000 7.853 7.433 8.118 1.118 15 16 "[* *-.*** *****+** **]" 2
6 1 8 ALA CB 1 9 ALA CB 5.000 3.000 7.000 5.669 5.604 5.889 . 0 0 "[ . 1 . 2]" 2
7 1 9 ALA CB 1 11 ILE CD1 5.000 3.000 7.000 7.388 5.143 9.117 2.117 14 11 "[ ***.***-* * +* 2]" 2
8 1 9 ALA CB 1 11 ILE CB 5.000 3.000 7.000 6.017 4.924 7.919 0.919 15 1 "[ . 1 + 2]" 2
9 1 11 ILE CD1 1 39 PHE CB 5.000 3.000 7.000 6.891 3.457 11.935 4.935 4 5 "[ +. * **- 2]" 2
10 1 11 ILE CD1 1 43 ILE CD1 5.000 3.000 7.000 7.899 4.883 13.499 6.499 4 9 "[* +.* * *** -*]" 2
11 1 11 ILE CG2 1 43 ILE CD1 5.000 3.000 7.000 7.412 5.030 11.016 4.016 4 8 "[* +* - *** *]" 2
12 1 28 ILE CA 1 31 LEU CB 5.000 3.000 7.000 5.054 4.755 5.214 . 0 0 "[ . 1 . 2]" 2
13 1 28 ILE CD1 1 31 LEU CB 5.000 3.000 7.000 3.605 3.469 3.819 . 0 0 "[ . 1 . 2]" 2
14 1 28 ILE CD1 1 31 LEU CG 5.000 3.000 7.000 3.780 3.554 4.685 . 0 0 "[ . 1 . 2]" 2
15 1 31 LEU CD1 1 35 ALA CB 5.000 3.000 7.000 4.327 4.032 4.917 . 0 0 "[ . 1 . 2]" 2
16 1 31 LEU CD2 1 35 ALA CB 5.000 3.000 7.000 6.799 6.586 7.043 0.043 8 0 "[ . 1 . 2]" 2
17 1 31 LEU CD1 1 35 ALA CA 5.000 3.000 7.000 5.509 5.321 5.920 . 0 0 "[ . 1 . 2]" 2
18 1 7 VAL CB 1 35 ALA CB 5.000 3.000 7.000 4.533 4.210 5.203 . 0 0 "[ . 1 . 2]" 2
19 1 35 ALA CB 1 36 GLU CG 5.000 3.000 7.000 5.049 4.922 5.143 . 0 0 "[ . 1 . 2]" 2
20 1 61 ILE CG2 1 86 LEU CG 5.000 3.000 7.000 4.813 3.817 5.031 . 0 0 "[ . 1 . 2]" 2
21 1 65 ASP CB 1 72 VAL CG2 5.000 3.000 7.000 6.405 5.887 6.688 . 0 0 "[ . 1 . 2]" 2
22 1 67 GLU CB 1 68 LEU CD1 5.000 3.000 7.000 6.500 6.409 6.579 . 0 0 "[ . 1 . 2]" 2
23 1 67 GLU CB 1 68 LEU CD2 5.000 3.000 7.000 4.000 3.894 4.089 . 0 0 "[ . 1 . 2]" 2
24 1 28 ILE CD1 1 76 ARG CG 5.000 3.000 7.000 5.766 4.365 8.038 1.038 2 2 "[ + . -1 . 2]" 2
25 1 31 LEU CD2 1 76 ARG CG 5.000 3.000 7.000 7.325 6.998 8.668 1.668 2 3 "[ + -. *1 . 2]" 2
stop_
save_
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