Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
525735 | 2l7j RC | 17358 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7j
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 1250
_Distance_constraint_stats_list.Viol_count 3956
_Distance_constraint_stats_list.Viol_total 38020.242
_Distance_constraint_stats_list.Viol_max 3.884
_Distance_constraint_stats_list.Viol_rms 0.3025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0760
_Distance_constraint_stats_list.Viol_average_violations_only 0.4805
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 11.256 0.828 17 1 "[ . 1 . + 2]"
1 4 GLN 28.312 1.378 18 19 "[****** *******-**+**]"
1 5 TYR 17.166 0.861 12 8 "[* *.* -1 + . * **]"
1 6 GLU 13.586 0.415 2 0 "[ . 1 . 2]"
1 7 PRO 15.495 0.612 7 5 "[ * . + 1- * * 2]"
1 8 GLU 15.729 1.046 19 18 "[*********1**-*** *+*]"
1 9 VAL 19.303 1.046 19 18 "[*********1**-*** *+*]"
1 10 THR 48.157 1.232 12 17 "[*****-** **+ *.*****]"
1 11 ILE 196.219 3.014 5 20 [****+********-******]
1 12 GLU 21.879 0.900 20 7 "[ ** 1 * -** +]"
1 14 PHE 91.937 3.014 5 20 [*-**+***************]
1 15 ASP 103.317 3.313 13 20 [****-*******+*******]
1 17 ASN 47.045 2.816 19 20 [**-***************+*]
1 18 TRP 63.592 3.313 13 20 [************+*-*****]
1 19 TYR 101.849 3.546 3 20 [**+********-********]
1 20 LEU 318.885 3.139 11 20 [**********+*******-*]
1 21 GLN 25.202 1.401 14 20 [-************+******]
1 22 ARG 22.000 0.922 4 9 "[- +.* **1* * **]"
1 23 THR 9.005 0.375 14 0 "[ . 1 . 2]"
1 24 ASP 4.273 0.375 14 0 "[ . 1 . 2]"
1 25 VAL 15.346 0.786 15 14 "[ ***. * *1* **+*-***]"
1 26 LYS 82.558 1.811 11 20 [*******-**+*********]
1 27 LEU 35.726 0.806 16 7 "[ ** ** 1 - .+* 2]"
1 28 THR 43.078 1.409 4 20 [*-*+****************]
1 29 CYS 16.107 0.715 19 10 "[ * *** *-1* . **+2]"
1 30 LYS 38.794 0.907 17 14 "[ **** **** **+***]"
1 31 ALA 0.845 0.105 11 0 "[ . 1 . 2]"
1 32 ASP 10.637 0.612 7 5 "[ * . + 1- * * 2]"
1 33 ALA 11.641 0.562 11 2 "[ . -1+ . 2]"
1 34 ASN 5.079 0.828 17 1 "[ . 1 . + 2]"
1 36 PRO 2.511 0.213 10 0 "[ . 1 . 2]"
1 37 ALA 27.823 1.025 14 19 "[********-** *+******]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 6.989 0.419 8 0 "[ . 1 . 2]"
1 40 TYR 11.087 0.435 6 0 "[ . 1 . 2]"
1 41 HIS 4.629 0.588 2 2 "[ + . 1 . - 2]"
1 42 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.576 0.170 7 0 "[ . 1 . 2]"
1 44 THR 5.606 0.263 11 0 "[ . 1 . 2]"
1 45 LEU 5.393 0.421 6 0 "[ . 1 . 2]"
1 46 ASN 0.360 0.119 9 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.360 0.119 9 0 "[ . 1 . 2]"
1 50 PRO 4.164 0.682 18 2 "[ . 1 . +-2]"
1 51 LYS 9.056 0.580 10 3 "[ -* + . 2]"
1 53 VAL 6.995 0.535 19 1 "[ . 1 . +2]"
1 54 GLU 140.386 3.342 17 20 [***************-+***]
1 55 ALA 0.851 0.328 20 0 "[ . 1 . 2]"
1 56 GLN 75.516 3.022 10 17 "[***** ** +*****-***2]"
1 59 THR 109.342 3.884 3 20 [**+*****-***********]
1 60 LEU 60.244 1.122 13 20 [************+*******]
1 61 PHE 197.946 3.884 3 20 [**+***************-*]
1 62 PHE 48.432 1.122 13 20 [************+*******]
1 63 ARG 95.313 3.342 17 20 [*************-**+***]
1 64 GLY 57.285 3.092 3 19 "[**+************ ****]"
1 65 PRO 7.555 0.722 10 4 "[ - . + . **]"
1 66 ILE 175.470 2.518 19 20 [****************-*+*]
1 67 THR 20.218 0.889 13 20 [******-*****+*******]
1 68 TYR 187.364 3.546 3 20 [**+*******-*********]
1 70 LEU 80.317 2.161 20 20 [******************-+]
1 71 ALA 106.319 3.139 11 20 [*****-****+*********]
1 72 GLY 0.225 0.048 14 0 "[ . 1 . 2]"
1 73 THR 14.033 0.421 6 0 "[ . 1 . 2]"
1 74 TYR 49.809 1.646 9 20 [********+***-*******]
1 75 ILE 100.002 1.667 13 20 [*-**********+*******]
1 76 CYS 62.592 1.955 17 18 "[***** ** *******+***]"
1 77 GLU 2.105 0.588 2 2 "[ + . 1 . - 2]"
1 78 ALA 8.144 0.338 9 0 "[ . 1 . 2]"
1 79 THR 9.296 0.435 6 0 "[ . 1 . 2]"
1 80 ASN 26.175 1.025 14 19 "[**********- *+******]"
1 81 PRO 6.191 0.414 20 0 "[ . 1 . 2]"
1 82 ILE 87.806 1.378 18 20 [**************-**+**]
1 83 GLY 6.333 0.338 6 0 "[ . 1 . 2]"
1 84 THR 4.153 0.289 6 0 "[ . 1 . 2]"
1 85 ARG 4.643 0.379 11 0 "[ . 1 . 2]"
1 86 SER 4.513 0.320 11 0 "[ . 1 . 2]"
1 87 GLY 15.971 0.765 19 11 "[* **.-** 1 *.***+2]"
1 88 GLN 76.938 1.388 6 19 "[*****+**** ***-*****]"
1 89 VAL 88.609 1.901 5 20 [****+*-*************]
1 90 GLU 2.629 0.336 4 0 "[ . 1 . 2]"
1 91 VAL 68.053 3.060 5 20 [****+*****-*********]
1 92 ASN 5.239 0.496 5 0 "[ . 1 . 2]"
1 93 ILE 124.368 1.635 1 20 [+*************-*****]
1 94 THR 34.068 2.816 19 18 "[******* ***** ****+-]"
1 95 HIS 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 2 ASN H 1 2 ASN QB . . 3.350 2.350 2.087 2.623 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL H 1 3 VAL HB . . 4.200 3.001 2.593 3.685 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL H 1 3 VAL MG1 . . 4.270 3.677 1.795 3.969 . 0 0 "[ . 1 . 2]" 1
4 1 3 VAL H 1 3 VAL QG . . 3.650 2.184 1.791 2.774 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL H 1 3 VAL MG2 . . 4.270 2.298 1.894 3.731 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL H 1 4 GLN H . . 5.280 4.377 4.208 4.505 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL H 1 4 GLN QG . . 5.340 4.825 4.097 5.453 0.113 18 0 "[ . 1 . 2]" 1
8 1 3 VAL HA 1 3 VAL HB . . 2.840 2.901 2.347 3.024 0.184 7 0 "[ . 1 . 2]" 1
9 1 3 VAL HA 1 3 VAL QG . . 2.440 2.106 1.990 2.490 0.050 18 0 "[ . 1 . 2]" 1
10 1 3 VAL HA 1 4 GLN H . . 2.750 2.153 2.095 2.303 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL HA 1 4 GLN HA . . 4.410 4.362 4.290 4.384 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL HA 1 4 GLN QG . . 4.030 3.476 3.022 3.808 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL HA 1 5 TYR QD . . 5.500 5.074 4.491 5.586 0.086 7 0 "[ . 1 . 2]" 1
14 1 3 VAL HB 1 4 GLN H . . 4.210 3.777 2.833 4.015 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL HB 1 5 TYR QD . . 5.310 3.467 2.777 4.784 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL HB 1 5 TYR QE . . 5.500 3.917 3.144 4.821 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL QG 1 4 GLN H . . 3.260 2.666 1.963 3.162 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL QG 1 4 GLN HA . . 4.160 4.013 3.567 4.281 0.121 15 0 "[ . 1 . 2]" 1
19 1 3 VAL QG 1 4 GLN QG . . 4.330 4.051 3.172 4.309 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL QG 1 5 TYR QB . . 4.290 3.698 3.071 4.555 0.265 17 0 "[ . 1 . 2]" 1
21 1 3 VAL QG 1 5 TYR QD . . 3.780 2.924 2.258 3.366 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL QG 1 5 TYR QE . . 3.760 3.723 1.759 4.239 0.479 8 0 "[ . 1 . 2]" 1
23 1 3 VAL MG1 1 4 GLN QG . . 5.500 4.350 3.597 4.986 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL MG1 1 34 ASN QB . . 5.500 5.157 4.043 6.328 0.828 17 1 "[ . 1 . + 2]" 1
25 1 3 VAL MG2 1 4 GLN QG . . 5.500 5.069 3.208 5.450 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL MG2 1 34 ASN QB . . 5.500 5.296 3.838 5.925 0.425 1 0 "[ . 1 . 2]" 1
27 1 4 GLN H 1 4 GLN QB . . 3.390 2.830 2.445 3.158 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLN H 1 4 GLN QG . . 3.720 2.228 1.780 2.788 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLN H 1 5 TYR H . . 4.530 4.381 4.271 4.514 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLN HA 1 5 TYR H . . 2.940 2.143 2.080 2.225 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLN HA 1 5 TYR QD . . 5.280 3.564 3.075 3.992 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLN HA 1 5 TYR QE . . 5.500 4.581 4.343 4.898 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLN HA 1 34 ASN QB . . 4.040 2.431 1.866 2.833 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLN HA 1 82 ILE MD . . 4.510 4.004 3.463 4.580 0.070 20 0 "[ . 1 . 2]" 1
35 1 4 GLN QB 1 5 TYR H . . 3.340 3.105 2.709 3.238 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLN QB 1 34 ASN QB . . 5.500 3.373 2.385 4.252 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLN QB 1 82 ILE HA . . 5.340 4.833 4.518 5.199 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLN QB 1 82 ILE MD . . 2.920 3.212 2.490 3.404 0.484 13 0 "[ . 1 . 2]" 1
39 1 4 GLN QB 1 82 ILE HG12 . . 3.840 2.157 1.878 2.559 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLN QB 1 82 ILE HG13 . . 4.130 3.281 2.781 3.740 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLN QB 1 82 ILE MG . . 3.130 2.808 2.612 2.902 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLN QG 1 5 TYR H . . 4.860 4.450 4.065 4.759 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLN QG 1 34 ASN QB . . 5.340 3.945 2.376 5.227 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLN QG 1 82 ILE MD . . 3.740 4.798 3.968 5.118 1.378 18 19 "[****** *******-**+**]" 1
45 1 4 GLN QG 1 82 ILE HG12 . . 5.090 4.192 3.431 4.685 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR H 1 5 TYR HB2 . . 4.110 3.824 3.676 3.928 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR H 1 5 TYR HB3 . . 4.110 3.418 3.306 3.610 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR H 1 6 GLU H . . 4.500 4.393 4.334 4.451 . 0 0 "[ . 1 . 2]" 1
49 1 5 TYR H 1 33 ALA HA . . 4.740 4.590 4.038 5.167 0.427 15 0 "[ . 1 . 2]" 1
50 1 5 TYR H 1 34 ASN H . . 3.290 3.232 2.780 3.697 0.407 15 0 "[ . 1 . 2]" 1
51 1 5 TYR H 1 34 ASN QB . . 3.260 3.172 2.895 3.327 0.067 10 0 "[ . 1 . 2]" 1
52 1 5 TYR H 1 82 ILE MD . . 4.090 3.135 2.705 3.732 . 0 0 "[ . 1 . 2]" 1
53 1 5 TYR H 1 82 ILE HG12 . . 3.560 3.261 2.997 3.598 0.038 12 0 "[ . 1 . 2]" 1
54 1 5 TYR H 1 82 ILE HG13 . . 4.470 4.941 4.669 5.331 0.861 12 8 "[* *.* -1 + . * **]" 1
55 1 5 TYR H 1 82 ILE MG . . 3.640 3.412 3.157 3.562 . 0 0 "[ . 1 . 2]" 1
56 1 5 TYR HA 1 6 GLU H . . 2.930 2.386 2.276 2.485 . 0 0 "[ . 1 . 2]" 1
57 1 5 TYR HA 1 6 GLU HA . . 4.420 4.320 4.293 4.363 . 0 0 "[ . 1 . 2]" 1
58 1 5 TYR QB 1 6 GLU QB . . 5.340 4.275 4.084 4.660 . 0 0 "[ . 1 . 2]" 1
59 1 5 TYR QB 1 82 ILE MG . . 4.920 3.716 3.583 3.869 . 0 0 "[ . 1 . 2]" 1
60 1 5 TYR HB2 1 6 GLU H . . 3.850 2.560 2.406 2.694 . 0 0 "[ . 1 . 2]" 1
61 1 5 TYR HB3 1 6 GLU H . . 3.850 3.749 3.601 3.882 0.032 5 0 "[ . 1 . 2]" 1
62 1 5 TYR QD 1 33 ALA HA . . 4.770 3.462 3.036 3.755 . 0 0 "[ . 1 . 2]" 1
63 1 5 TYR QD 1 33 ALA MB . . 5.340 3.676 3.302 3.970 . 0 0 "[ . 1 . 2]" 1
64 1 5 TYR QD 1 34 ASN QB . . 4.860 4.001 3.442 4.423 . 0 0 "[ . 1 . 2]" 1
65 1 5 TYR QE 1 34 ASN QB . . 4.030 3.620 2.402 4.201 0.171 18 0 "[ . 1 . 2]" 1
66 1 6 GLU H 1 6 GLU QB . . 3.020 2.667 2.451 2.897 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU H 1 6 GLU QG . . 3.520 2.269 1.780 2.731 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLU H 1 7 PRO QD . . 4.410 4.404 4.378 4.421 0.011 10 0 "[ . 1 . 2]" 1
69 1 6 GLU H 1 82 ILE HB . . 3.800 3.426 3.269 3.533 . 0 0 "[ . 1 . 2]" 1
70 1 6 GLU H 1 82 ILE MG . . 3.220 2.772 2.462 3.001 . 0 0 "[ . 1 . 2]" 1
71 1 6 GLU HA 1 7 PRO HB2 . . 5.500 5.595 5.549 5.627 0.127 12 0 "[ . 1 . 2]" 1
72 1 6 GLU HA 1 7 PRO QD . . 3.550 2.126 2.058 2.199 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU HA 1 33 ALA MB . . 4.380 3.905 3.754 4.127 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLU HA 1 82 ILE H . . 4.290 4.140 4.069 4.205 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLU HA 1 82 ILE HB . . 3.680 2.130 1.991 2.299 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLU HA 1 82 ILE MD . . 5.260 2.645 2.360 2.828 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU HA 1 82 ILE HG13 . . 4.540 4.813 4.635 4.955 0.415 2 0 "[ . 1 . 2]" 1
78 1 6 GLU HA 1 82 ILE MG . . 3.580 3.369 3.201 3.565 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU HA 1 83 GLY H . . 4.470 3.824 3.731 3.863 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLU HA 1 85 ARG QG . . 4.770 4.165 3.921 4.425 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU QB 1 7 PRO QD . . 3.250 2.113 2.004 2.266 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLU QB 1 33 ALA MB . . 4.730 4.861 4.766 4.979 0.249 18 0 "[ . 1 . 2]" 1
83 1 6 GLU QB 1 80 ASN QB . . 5.340 4.272 3.991 4.579 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLU QB 1 82 ILE MG . . 4.190 4.061 3.888 4.267 0.077 11 0 "[ . 1 . 2]" 1
85 1 6 GLU QB 1 83 GLY H . . 4.370 4.163 3.618 4.526 0.156 16 0 "[ . 1 . 2]" 1
86 1 6 GLU QB 1 83 GLY HA2 . . 4.730 4.559 4.128 4.927 0.197 14 0 "[ . 1 . 2]" 1
87 1 6 GLU QB 1 83 GLY HA3 . . 4.350 3.132 2.729 3.632 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU QB 1 84 THR H . . 3.990 3.884 3.524 4.279 0.289 6 0 "[ . 1 . 2]" 1
89 1 6 GLU QB 1 84 THR HA . . 4.690 4.240 3.789 4.726 0.036 16 0 "[ . 1 . 2]" 1
90 1 6 GLU QB 1 85 ARG QD . . 3.320 3.077 2.347 3.699 0.379 11 0 "[ . 1 . 2]" 1
91 1 6 GLU QB 1 85 ARG QG . . 3.940 2.049 1.779 2.300 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLU QG 1 82 ILE HA . . 5.340 4.156 4.000 4.484 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLU QG 1 82 ILE MG . . 3.350 2.413 2.069 2.762 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLU QG 1 83 GLY HA2 . . 5.160 3.789 3.472 3.980 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLU QG 1 83 GLY HA3 . . 4.390 2.224 1.961 2.425 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLU QG 1 84 THR H . . 4.510 3.717 2.987 3.912 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU QG 1 85 ARG QG . . 3.960 3.483 3.215 3.735 . 0 0 "[ . 1 . 2]" 1
98 1 7 PRO HA 1 8 GLU H . . 2.960 2.123 2.104 2.144 . 0 0 "[ . 1 . 2]" 1
99 1 7 PRO HA 1 8 GLU QB . . 4.610 4.291 4.046 4.664 0.054 2 0 "[ . 1 . 2]" 1
100 1 7 PRO HA 1 32 ASP H . . 3.700 4.107 3.937 4.312 0.612 7 5 "[ * . + 1- * * 2]" 1
101 1 7 PRO HA 1 33 ALA MB . . 3.650 1.576 1.496 1.724 . 0 0 "[ . 1 . 2]" 1
102 1 7 PRO HA 1 78 ALA MB . . 5.120 4.894 4.670 5.317 0.197 11 0 "[ . 1 . 2]" 1
103 1 7 PRO HB2 1 8 GLU H . . 3.680 3.494 3.424 3.527 . 0 0 "[ . 1 . 2]" 1
104 1 7 PRO HB2 1 31 ALA HA . . 5.090 3.602 3.345 3.864 . 0 0 "[ . 1 . 2]" 1
105 1 7 PRO HB2 1 31 ALA MB . . 3.250 1.965 1.808 2.241 . 0 0 "[ . 1 . 2]" 1
106 1 7 PRO HB2 1 78 ALA MB . . 3.280 2.678 2.416 3.215 . 0 0 "[ . 1 . 2]" 1
107 1 7 PRO HB2 1 85 ARG HB2 . . 4.170 4.080 3.445 4.545 0.375 2 0 "[ . 1 . 2]" 1
108 1 7 PRO HB3 1 8 GLU H . . 4.050 3.858 3.816 3.922 . 0 0 "[ . 1 . 2]" 1
109 1 7 PRO HB3 1 31 ALA HA . . 5.000 4.711 4.513 4.897 . 0 0 "[ . 1 . 2]" 1
110 1 7 PRO HB3 1 33 ALA MB . . 3.130 2.263 2.121 2.380 . 0 0 "[ . 1 . 2]" 1
111 1 7 PRO HB3 1 37 ALA MB . . 4.490 4.171 3.714 4.521 0.031 9 0 "[ . 1 . 2]" 1
112 1 7 PRO HB3 1 78 ALA MB . . 3.670 3.392 3.062 3.825 0.155 15 0 "[ . 1 . 2]" 1
113 1 7 PRO QD 1 8 GLU H . . 5.100 4.948 4.915 4.977 . 0 0 "[ . 1 . 2]" 1
114 1 7 PRO QD 1 9 VAL QG . . 4.940 4.798 4.558 4.984 0.044 19 0 "[ . 1 . 2]" 1
115 1 7 PRO QD 1 33 ALA MB . . 4.030 3.055 2.925 3.267 . 0 0 "[ . 1 . 2]" 1
116 1 7 PRO QD 1 37 ALA MB . . 5.370 5.099 4.810 5.497 0.127 15 0 "[ . 1 . 2]" 1
117 1 7 PRO QD 1 78 ALA MB . . 4.600 3.957 3.716 4.295 . 0 0 "[ . 1 . 2]" 1
118 1 7 PRO QD 1 80 ASN H . . 4.370 3.589 3.274 4.016 . 0 0 "[ . 1 . 2]" 1
119 1 7 PRO QD 1 80 ASN QB . . 4.150 1.845 1.639 2.049 . 0 0 "[ . 1 . 2]" 1
120 1 7 PRO QD 1 81 PRO QD . . 4.490 4.441 4.343 4.520 0.030 7 0 "[ . 1 . 2]" 1
121 1 7 PRO QD 1 82 ILE H . . 4.530 3.983 3.818 4.096 . 0 0 "[ . 1 . 2]" 1
122 1 7 PRO QD 1 82 ILE HB . . 4.080 3.470 3.187 3.669 . 0 0 "[ . 1 . 2]" 1
123 1 7 PRO QD 1 82 ILE HG13 . . 5.070 5.203 4.875 5.450 0.380 8 0 "[ . 1 . 2]" 1
124 1 7 PRO QD 1 82 ILE MG . . 5.500 4.599 4.373 4.781 . 0 0 "[ . 1 . 2]" 1
125 1 7 PRO QD 1 83 GLY H . . 4.440 3.581 3.358 3.740 . 0 0 "[ . 1 . 2]" 1
126 1 7 PRO QD 1 84 THR HA . . 4.700 3.577 3.340 3.814 . 0 0 "[ . 1 . 2]" 1
127 1 7 PRO QD 1 85 ARG QG . . 4.220 3.139 2.786 3.428 . 0 0 "[ . 1 . 2]" 1
128 1 7 PRO QG 1 31 ALA MB . . 4.010 3.263 3.085 3.546 . 0 0 "[ . 1 . 2]" 1
129 1 7 PRO QG 1 33 ALA MB . . 3.650 3.628 3.593 3.686 0.036 9 0 "[ . 1 . 2]" 1
130 1 7 PRO QG 1 37 ALA MB . . 4.270 3.853 3.473 4.156 . 0 0 "[ . 1 . 2]" 1
131 1 7 PRO QG 1 78 ALA MB . . 3.800 2.209 1.924 2.565 . 0 0 "[ . 1 . 2]" 1
132 1 7 PRO QG 1 84 THR HA . . 4.880 3.486 3.200 3.810 . 0 0 "[ . 1 . 2]" 1
133 1 8 GLU H 1 8 GLU QB . . 3.010 2.339 2.095 2.749 . 0 0 "[ . 1 . 2]" 1
134 1 8 GLU H 1 8 GLU QG . . 4.470 2.726 2.109 3.672 . 0 0 "[ . 1 . 2]" 1
135 1 8 GLU H 1 31 ALA HA . . 3.970 4.006 3.906 4.075 0.105 11 0 "[ . 1 . 2]" 1
136 1 8 GLU H 1 32 ASP H . . 3.530 2.675 2.554 2.818 . 0 0 "[ . 1 . 2]" 1
137 1 8 GLU H 1 32 ASP QB . . 3.490 3.333 3.136 3.616 0.126 2 0 "[ . 1 . 2]" 1
138 1 8 GLU H 1 33 ALA H . . 4.830 4.524 4.457 4.617 . 0 0 "[ . 1 . 2]" 1
139 1 8 GLU H 1 33 ALA HA . . 4.810 3.866 3.794 3.902 . 0 0 "[ . 1 . 2]" 1
140 1 8 GLU H 1 33 ALA MB . . 3.960 3.208 3.168 3.269 . 0 0 "[ . 1 . 2]" 1
141 1 8 GLU HA 1 9 VAL H . . 2.720 2.154 2.130 2.171 . 0 0 "[ . 1 . 2]" 1
142 1 8 GLU HA 1 9 VAL QG . . 3.910 3.304 3.140 3.438 . 0 0 "[ . 1 . 2]" 1
143 1 8 GLU QB 1 9 VAL H . . 4.120 3.441 3.264 3.564 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLU QB 1 32 ASP H . . 3.500 2.787 2.388 3.112 . 0 0 "[ . 1 . 2]" 1
145 1 8 GLU QB 1 32 ASP QB . . 3.010 2.332 1.979 3.014 0.004 2 0 "[ . 1 . 2]" 1
146 1 8 GLU QB 1 33 ALA HA . . 5.500 4.994 4.690 5.418 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLU QG 1 9 VAL H . . 3.660 4.395 3.802 4.706 1.046 19 18 "[*********1**-*** *+*]" 1
148 1 9 VAL H 1 9 VAL HB . . 3.660 2.809 2.726 2.909 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL H 1 9 VAL MG1 . . 3.830 3.820 3.787 3.835 0.005 3 0 "[ . 1 . 2]" 1
150 1 9 VAL H 1 9 VAL QG . . 2.940 2.027 1.819 2.222 . 0 0 "[ . 1 . 2]" 1
151 1 9 VAL H 1 9 VAL MG2 . . 3.830 2.035 1.823 2.236 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL H 1 10 THR H . . 4.560 4.479 4.421 4.516 . 0 0 "[ . 1 . 2]" 1
153 1 9 VAL H 1 31 ALA HA . . 4.830 4.289 4.121 4.526 . 0 0 "[ . 1 . 2]" 1
154 1 9 VAL H 1 85 ARG QD . . 5.500 4.509 3.616 5.173 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL HA 1 10 THR H . . 2.940 2.121 2.071 2.161 . 0 0 "[ . 1 . 2]" 1
156 1 9 VAL HB 1 10 THR H . . 4.070 3.787 3.724 3.855 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL HB 1 86 SER H . . 4.750 4.593 4.538 4.647 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL HB 1 86 SER HA . . 4.140 3.768 3.430 4.197 0.057 18 0 "[ . 1 . 2]" 1
159 1 9 VAL HB 1 87 GLY H . . 3.780 3.098 2.710 3.508 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL HB 1 87 GLY QA . . 3.500 2.426 2.055 2.829 . 0 0 "[ . 1 . 2]" 1
161 1 9 VAL QG 1 10 THR H . . 3.020 2.289 2.162 2.450 . 0 0 "[ . 1 . 2]" 1
162 1 9 VAL QG 1 10 THR HA . . 5.440 3.924 3.760 4.095 . 0 0 "[ . 1 . 2]" 1
163 1 9 VAL QG 1 10 THR HB . . 5.440 4.794 4.653 4.954 . 0 0 "[ . 1 . 2]" 1
164 1 9 VAL QG 1 31 ALA HA . . 3.800 3.162 2.853 3.458 . 0 0 "[ . 1 . 2]" 1
165 1 9 VAL QG 1 76 CYS H . . 5.330 3.436 3.189 3.716 . 0 0 "[ . 1 . 2]" 1
166 1 9 VAL QG 1 76 CYS HA . . 5.160 4.373 4.044 4.677 . 0 0 "[ . 1 . 2]" 1
167 1 9 VAL QG 1 76 CYS QB . . 3.230 2.683 1.954 3.262 0.032 18 0 "[ . 1 . 2]" 1
168 1 9 VAL QG 1 85 ARG H . . 3.800 3.689 3.405 3.902 0.102 12 0 "[ . 1 . 2]" 1
169 1 9 VAL QG 1 85 ARG HB2 . . 3.330 2.492 2.091 2.910 . 0 0 "[ . 1 . 2]" 1
170 1 9 VAL QG 1 85 ARG HB3 . . 3.310 2.657 2.134 3.291 . 0 0 "[ . 1 . 2]" 1
171 1 9 VAL QG 1 85 ARG QG . . 4.610 3.855 3.460 4.244 . 0 0 "[ . 1 . 2]" 1
172 1 9 VAL QG 1 86 SER H . . 3.610 3.113 2.896 3.442 . 0 0 "[ . 1 . 2]" 1
173 1 9 VAL QG 1 86 SER HA . . 3.240 2.376 2.076 2.607 . 0 0 "[ . 1 . 2]" 1
174 1 9 VAL QG 1 87 GLY H . . 3.040 2.383 2.148 2.594 . 0 0 "[ . 1 . 2]" 1
175 1 9 VAL QG 1 87 GLY QA . . 3.220 2.653 2.205 3.133 . 0 0 "[ . 1 . 2]" 1
176 1 9 VAL MG1 1 76 CYS QB . . 4.220 2.713 1.960 3.319 . 0 0 "[ . 1 . 2]" 1
177 1 9 VAL MG1 1 86 SER HA . . 3.870 3.239 3.064 3.432 . 0 0 "[ . 1 . 2]" 1
178 1 9 VAL MG1 1 87 GLY H . . 3.590 2.463 2.181 2.720 . 0 0 "[ . 1 . 2]" 1
179 1 9 VAL MG1 1 87 GLY QA . . 4.310 2.731 2.226 3.286 . 0 0 "[ . 1 . 2]" 1
180 1 9 VAL MG2 1 76 CYS QB . . 4.220 4.362 3.860 4.787 0.567 18 2 "[ . - 1 . + 2]" 1
181 1 9 VAL MG2 1 86 SER HA . . 3.870 2.456 2.097 2.799 . 0 0 "[ . 1 . 2]" 1
182 1 9 VAL MG2 1 87 GLY H . . 3.590 3.224 3.001 3.613 0.023 6 0 "[ . 1 . 2]" 1
183 1 9 VAL MG2 1 87 GLY QA . . 4.310 3.646 3.431 3.954 . 0 0 "[ . 1 . 2]" 1
184 1 10 THR H 1 10 THR HB . . 3.510 3.052 2.948 3.179 . 0 0 "[ . 1 . 2]" 1
185 1 10 THR H 1 10 THR MG . . 4.330 3.962 3.883 4.007 . 0 0 "[ . 1 . 2]" 1
186 1 10 THR H 1 11 ILE H . . 4.590 4.394 4.365 4.437 . 0 0 "[ . 1 . 2]" 1
187 1 10 THR H 1 30 LYS QB . . 3.680 4.131 3.838 4.528 0.848 3 7 "[ *+ . 1* .*-**2]" 1
188 1 10 THR H 1 30 LYS QG . . 4.520 3.112 2.599 3.416 . 0 0 "[ . 1 . 2]" 1
189 1 10 THR H 1 76 CYS QB . . 5.040 5.580 4.670 6.272 1.232 12 11 "[* ** ** * + . ***-]" 1
190 1 10 THR H 1 87 GLY H . . 5.500 6.000 5.773 6.265 0.765 19 11 "[* **.-** 1 *.***+2]" 1
191 1 10 THR HA 1 10 THR MG . . 3.670 2.166 1.949 2.297 . 0 0 "[ . 1 . 2]" 1
192 1 10 THR HA 1 11 ILE H . . 2.720 2.288 2.238 2.354 . 0 0 "[ . 1 . 2]" 1
193 1 10 THR HA 1 11 ILE HB . . 5.270 4.916 4.824 4.989 . 0 0 "[ . 1 . 2]" 1
194 1 10 THR HA 1 11 ILE MD . . 5.500 3.738 3.570 3.844 . 0 0 "[ . 1 . 2]" 1
195 1 10 THR HA 1 11 ILE QG . . 4.930 3.290 3.159 3.409 . 0 0 "[ . 1 . 2]" 1
196 1 10 THR HA 1 30 LYS QB . . 5.500 5.935 5.665 6.133 0.633 3 5 "[ *+ . 1 .* -*2]" 1
197 1 10 THR HB 1 11 ILE HA . . 4.980 4.455 4.316 4.633 . 0 0 "[ . 1 . 2]" 1
198 1 10 THR HB 1 11 ILE MD . . 5.500 5.007 4.844 5.218 . 0 0 "[ . 1 . 2]" 1
199 1 10 THR HB 1 12 GLU QG . . 4.550 3.665 3.084 4.439 . 0 0 "[ . 1 . 2]" 1
200 1 10 THR HB 1 30 LYS HA . . 5.430 5.471 5.262 5.555 0.125 6 0 "[ . 1 . 2]" 1
201 1 10 THR HB 1 30 LYS QB . . 3.730 3.700 3.555 3.804 0.074 17 0 "[ . 1 . 2]" 1
202 1 10 THR HB 1 30 LYS HD2 . . 4.460 3.943 2.165 4.929 0.469 1 0 "[ . 1 . 2]" 1
203 1 10 THR HB 1 30 LYS HD3 . . 4.460 3.008 1.938 3.995 . 0 0 "[ . 1 . 2]" 1
204 1 10 THR HB 1 30 LYS QE . . 4.140 2.738 1.764 4.044 . 0 0 "[ . 1 . 2]" 1
205 1 10 THR HB 1 30 LYS QG . . 4.030 1.929 1.772 2.333 . 0 0 "[ . 1 . 2]" 1
206 1 10 THR MG 1 11 ILE H . . 3.060 2.091 1.825 2.543 . 0 0 "[ . 1 . 2]" 1
207 1 10 THR MG 1 11 ILE HA . . 5.410 4.264 4.043 4.615 . 0 0 "[ . 1 . 2]" 1
208 1 10 THR MG 1 11 ILE MD . . 4.320 4.546 4.508 4.576 0.256 20 0 "[ . 1 . 2]" 1
209 1 10 THR MG 1 12 GLU QG . . 3.510 3.318 2.604 3.678 0.168 5 0 "[ . 1 . 2]" 1
210 1 10 THR MG 1 30 LYS QE . . 4.410 3.304 2.208 4.447 0.037 1 0 "[ . 1 . 2]" 1
211 1 11 ILE H 1 11 ILE HB . . 3.170 2.816 2.739 2.891 . 0 0 "[ . 1 . 2]" 1
212 1 11 ILE H 1 11 ILE MD . . 3.200 3.350 3.196 3.435 0.235 4 0 "[ . 1 . 2]" 1
213 1 11 ILE H 1 11 ILE QG . . 3.680 2.322 2.216 2.447 . 0 0 "[ . 1 . 2]" 1
214 1 11 ILE H 1 11 ILE MG . . 3.790 3.892 3.884 3.907 0.117 5 0 "[ . 1 . 2]" 1
215 1 11 ILE H 1 12 GLU H . . 4.430 4.359 4.303 4.423 . 0 0 "[ . 1 . 2]" 1
216 1 11 ILE H 1 12 GLU QG . . 4.830 4.366 3.903 4.783 . 0 0 "[ . 1 . 2]" 1
217 1 11 ILE HA 1 11 ILE MD . . 4.230 2.293 2.179 2.418 . 0 0 "[ . 1 . 2]" 1
218 1 11 ILE HA 1 11 ILE MG . . 3.610 2.206 2.061 2.354 . 0 0 "[ . 1 . 2]" 1
219 1 11 ILE HA 1 12 GLU H . . 3.100 2.131 2.103 2.160 . 0 0 "[ . 1 . 2]" 1
220 1 11 ILE HA 1 12 GLU HB2 . . 5.460 4.359 4.139 4.723 . 0 0 "[ . 1 . 2]" 1
221 1 11 ILE HA 1 12 GLU QG . . 4.950 4.123 3.446 4.533 . 0 0 "[ . 1 . 2]" 1
222 1 11 ILE HA 1 28 THR H . . 4.350 4.191 3.979 4.598 0.248 4 0 "[ . 1 . 2]" 1
223 1 11 ILE HA 1 30 LYS QG . . 5.340 3.890 3.628 4.144 . 0 0 "[ . 1 . 2]" 1
224 1 11 ILE HB 1 11 ILE MD . . 2.670 3.227 3.210 3.242 0.572 17 20 [***************-+***] 1
225 1 11 ILE HB 1 12 GLU H . . 4.450 3.975 3.844 4.090 . 0 0 "[ . 1 . 2]" 1
226 1 11 ILE HB 1 89 VAL HB . . 3.270 2.976 2.384 3.422 0.152 3 0 "[ . 1 . 2]" 1
227 1 11 ILE HB 1 89 VAL QG . . 3.510 2.899 2.336 3.299 . 0 0 "[ . 1 . 2]" 1
228 1 11 ILE MD 1 11 ILE MG . . 3.150 1.935 1.791 2.127 . 0 0 "[ . 1 . 2]" 1
229 1 11 ILE MD 1 29 CYS HA . . 4.660 3.009 2.601 3.298 . 0 0 "[ . 1 . 2]" 1
230 1 11 ILE MD 1 29 CYS QB . . 5.330 3.466 2.978 4.025 . 0 0 "[ . 1 . 2]" 1
231 1 11 ILE MD 1 74 TYR H . . 5.410 5.637 5.355 5.838 0.428 8 0 "[ . 1 . 2]" 1
232 1 11 ILE MD 1 74 TYR QB . . 4.660 4.083 3.635 4.382 . 0 0 "[ . 1 . 2]" 1
233 1 11 ILE MD 1 76 CYS H . . 3.470 3.390 3.033 3.639 0.169 19 0 "[ . 1 . 2]" 1
234 1 11 ILE MD 1 76 CYS HA . . 5.050 5.258 4.577 5.593 0.543 17 1 "[ . 1 . + 2]" 1
235 1 11 ILE MD 1 76 CYS QB . . 3.130 3.710 2.424 4.261 1.131 17 13 "[* ** ** - * **+***]" 1
236 1 11 ILE MD 1 87 GLY QA . . 3.640 3.096 2.676 3.735 0.095 6 0 "[ . 1 . 2]" 1
237 1 11 ILE MD 1 88 GLN H . . 3.300 3.969 3.557 4.688 1.388 6 14 "[ -**.+**** ***.* **2]" 1
238 1 11 ILE MD 1 88 GLN HA . . 3.030 3.239 3.027 3.411 0.381 19 0 "[ . 1 . 2]" 1
239 1 11 ILE MD 1 88 GLN QG . . 4.580 5.197 4.939 5.631 1.051 6 15 "[* **.+**** ***-* **2]" 1
240 1 11 ILE MD 1 89 VAL H . . 3.450 3.859 3.627 4.056 0.606 12 6 "[** - **+ . 2]" 1
241 1 11 ILE MD 1 89 VAL HA . . 5.290 5.009 4.585 5.190 . 0 0 "[ . 1 . 2]" 1
242 1 11 ILE MD 1 89 VAL HB . . 3.060 3.321 2.833 3.451 0.391 9 0 "[ . 1 . 2]" 1
243 1 11 ILE QG 1 11 ILE MG . . 2.810 2.337 2.230 2.402 . 0 0 "[ . 1 . 2]" 1
244 1 11 ILE QG 1 12 GLU H . . 4.310 4.746 4.683 4.817 0.507 14 1 "[ . 1 +. 2]" 1
245 1 11 ILE QG 1 28 THR H . . 5.260 6.268 5.973 6.669 1.409 4 20 [***+**-*************] 1
246 1 11 ILE QG 1 76 CYS QB . . 4.300 5.662 4.286 6.255 1.955 17 18 "[**-** ** *******+***]" 1
247 1 11 ILE QG 1 88 GLN H . . 5.500 3.983 3.528 4.816 . 0 0 "[ . 1 . 2]" 1
248 1 11 ILE QG 1 88 GLN HA . . 5.270 3.771 3.223 4.392 . 0 0 "[ . 1 . 2]" 1
249 1 11 ILE QG 1 89 VAL HB . . 3.990 1.855 1.746 2.101 . 0 0 "[ . 1 . 2]" 1
250 1 11 ILE MG 1 12 GLU H . . 3.270 2.528 2.328 2.749 . 0 0 "[ . 1 . 2]" 1
251 1 11 ILE MG 1 14 PHE H . . 4.210 4.844 3.945 5.874 1.664 5 12 "[* -*+*** * ***. * 2]" 1
252 1 11 ILE MG 1 14 PHE QB . . 3.920 5.530 3.769 6.934 3.014 5 17 "[*-**+*** ****** ** *]" 1
253 1 11 ILE MG 1 27 LEU HA . . 4.330 3.782 3.274 4.038 . 0 0 "[ . 1 . 2]" 1
254 1 11 ILE MG 1 27 LEU QB . . 3.640 2.230 1.980 2.401 . 0 0 "[ . 1 . 2]" 1
255 1 11 ILE MG 1 27 LEU MD1 . . 3.660 2.644 2.232 3.527 . 0 0 "[ . 1 . 2]" 1
256 1 11 ILE MG 1 27 LEU QD . . 2.510 2.265 1.976 2.482 . 0 0 "[ . 1 . 2]" 1
257 1 11 ILE MG 1 27 LEU MD2 . . 3.660 2.505 2.192 2.774 . 0 0 "[ . 1 . 2]" 1
258 1 11 ILE MG 1 27 LEU HG . . 4.240 4.358 4.117 4.552 0.312 5 0 "[ . 1 . 2]" 1
259 1 11 ILE MG 1 28 THR H . . 3.500 3.222 2.803 3.684 0.184 12 0 "[ . 1 . 2]" 1
260 1 11 ILE MG 1 28 THR HB . . 4.980 5.066 4.740 5.234 0.254 2 0 "[ . 1 . 2]" 1
261 1 11 ILE MG 1 29 CYS QB . . 5.500 4.471 3.665 5.006 . 0 0 "[ . 1 . 2]" 1
262 1 11 ILE MG 1 60 LEU QB . . 5.020 4.694 4.387 4.933 . 0 0 "[ . 1 . 2]" 1
263 1 11 ILE MG 1 74 TYR QB . . 4.280 3.845 3.470 4.318 0.038 17 0 "[ . 1 . 2]" 1
264 1 11 ILE MG 1 88 GLN HA . . 5.120 4.973 4.719 5.338 0.218 3 0 "[ . 1 . 2]" 1
265 1 11 ILE MG 1 89 VAL HB . . 3.350 2.526 2.039 3.090 . 0 0 "[ . 1 . 2]" 1
266 1 11 ILE MG 1 89 VAL QG . . 2.410 1.960 1.775 2.400 . 0 0 "[ . 1 . 2]" 1
267 1 12 GLU H 1 12 GLU HB2 . . 3.510 2.544 2.358 2.744 . 0 0 "[ . 1 . 2]" 1
268 1 12 GLU H 1 12 GLU HB3 . . 4.060 3.666 3.498 3.824 . 0 0 "[ . 1 . 2]" 1
269 1 12 GLU H 1 12 GLU QG . . 3.470 3.209 2.551 3.511 0.041 4 0 "[ . 1 . 2]" 1
270 1 12 GLU H 1 27 LEU HA . . 5.390 4.318 4.064 4.377 . 0 0 "[ . 1 . 2]" 1
271 1 12 GLU H 1 27 LEU QB . . 4.490 3.808 3.694 4.035 . 0 0 "[ . 1 . 2]" 1
272 1 12 GLU H 1 27 LEU QD . . 3.950 4.106 3.759 4.756 0.806 16 1 "[ . 1 .+ 2]" 1
273 1 12 GLU H 1 28 THR HB . . 3.740 3.392 3.130 3.632 . 0 0 "[ . 1 . 2]" 1
274 1 12 GLU H 1 30 LYS QD . . 4.980 4.676 3.879 5.293 0.313 16 0 "[ . 1 . 2]" 1
275 1 12 GLU HB2 1 12 GLU QG . . 2.750 2.233 2.126 2.456 . 0 0 "[ . 1 . 2]" 1
276 1 12 GLU HB2 1 28 THR H . . 4.930 3.513 2.914 3.973 . 0 0 "[ . 1 . 2]" 1
277 1 12 GLU HB2 1 28 THR MG . . 4.440 3.826 3.184 4.075 . 0 0 "[ . 1 . 2]" 1
278 1 12 GLU HB2 1 30 LYS QD . . 4.020 3.555 2.494 4.587 0.567 16 1 "[ . 1 .+ 2]" 1
279 1 12 GLU HB3 1 12 GLU QG . . 2.590 2.428 2.225 2.524 . 0 0 "[ . 1 . 2]" 1
280 1 12 GLU HB3 1 30 LYS QD . . 4.530 4.361 3.681 5.119 0.589 5 1 "[ + 1 . 2]" 1
281 1 12 GLU QG 1 28 THR H . . 5.250 4.931 4.196 5.391 0.141 4 0 "[ . 1 . 2]" 1
282 1 12 GLU QG 1 30 LYS HD2 . . 3.880 3.411 2.391 4.780 0.900 20 3 "[ . 1 * - +]" 1
283 1 12 GLU QG 1 30 LYS HD3 . . 3.880 2.625 1.803 4.522 0.642 5 2 "[ -+ 1 . 2]" 1
284 1 12 GLU QG 1 30 LYS QG . . 3.780 2.931 2.043 3.851 0.071 5 0 "[ . 1 . 2]" 1
285 1 14 PHE H 1 14 PHE HB2 . . 3.750 2.868 2.220 3.591 . 0 0 "[ . 1 . 2]" 1
286 1 14 PHE H 1 14 PHE HB3 . . 3.750 2.722 2.300 3.139 . 0 0 "[ . 1 . 2]" 1
287 1 14 PHE H 1 15 ASP H . . 4.980 4.474 4.320 4.594 . 0 0 "[ . 1 . 2]" 1
288 1 14 PHE H 1 27 LEU QD . . 3.780 2.123 1.905 3.201 . 0 0 "[ . 1 . 2]" 1
289 1 14 PHE H 1 89 VAL QG . . 4.260 5.164 4.905 5.531 1.271 5 20 [****+**************-] 1
290 1 14 PHE QB 1 15 ASP H . . 4.340 3.453 2.864 3.802 . 0 0 "[ . 1 . 2]" 1
291 1 14 PHE QB 1 27 LEU QD . . 3.610 2.683 1.777 3.705 0.095 10 0 "[ . 1 . 2]" 1
292 1 14 PHE QB 1 89 VAL QG . . 4.040 4.819 3.738 5.941 1.901 5 12 "[* **+*** * ***. - 2]" 1
293 1 14 PHE QB 1 91 VAL QG . . 4.310 4.905 4.470 5.411 1.101 10 14 "[*** *** +-** . ****]" 1
294 1 15 ASP H 1 17 ASN H . . 5.470 5.821 4.624 6.968 1.498 13 9 "[* ****- * +*. 2]" 1
295 1 15 ASP H 1 18 TRP H . . 5.500 7.591 6.240 8.813 3.313 13 20 [**********-*+*******] 1
296 1 15 ASP H 1 27 LEU QD . . 5.290 5.235 4.741 5.928 0.638 5 1 "[ + 1 . 2]" 1
297 1 15 ASP H 1 91 VAL QG . . 5.440 7.862 7.165 8.500 3.060 5 20 [****+**********-****] 1
298 1 17 ASN H 1 17 ASN HB2 . . 4.000 2.584 2.202 2.883 . 0 0 "[ . 1 . 2]" 1
299 1 17 ASN H 1 17 ASN QB . . 3.460 2.403 2.156 2.531 . 0 0 "[ . 1 . 2]" 1
300 1 17 ASN H 1 17 ASN HB3 . . 4.000 2.946 2.688 3.235 . 0 0 "[ . 1 . 2]" 1
301 1 17 ASN H 1 18 TRP H . . 4.270 4.476 4.378 4.586 0.316 4 0 "[ . 1 . 2]" 1
302 1 17 ASN H 1 18 TRP HA . . 4.950 5.007 4.818 5.308 0.358 4 0 "[ . 1 . 2]" 1
303 1 17 ASN HA 1 94 THR HA . . 5.500 7.006 5.438 8.316 2.816 19 18 "[**-**** ***** ****+*]" 1
304 1 17 ASN HA 1 94 THR MG . . 5.270 4.969 3.808 5.334 0.064 9 0 "[ . 1 . 2]" 1
305 1 17 ASN QB 1 18 TRP H . . 3.880 3.495 3.330 3.602 . 0 0 "[ . 1 . 2]" 1
306 1 17 ASN QB 1 18 TRP HA . . 4.850 4.579 4.411 4.764 . 0 0 "[ . 1 . 2]" 1
307 1 17 ASN QB 1 94 THR MG . . 4.150 3.216 1.895 4.072 . 0 0 "[ . 1 . 2]" 1
308 1 17 ASN HB2 1 18 TRP H . . 4.440 4.311 4.200 4.455 0.015 16 0 "[ . 1 . 2]" 1
309 1 17 ASN HB3 1 18 TRP H . . 4.440 3.704 3.457 3.906 . 0 0 "[ . 1 . 2]" 1
310 1 18 TRP H 1 18 TRP HB2 . . 4.120 2.223 2.133 2.314 . 0 0 "[ . 1 . 2]" 1
311 1 18 TRP H 1 18 TRP QB . . 3.610 2.200 2.112 2.287 . 0 0 "[ . 1 . 2]" 1
312 1 18 TRP H 1 18 TRP HB3 . . 4.120 3.502 3.393 3.569 . 0 0 "[ . 1 . 2]" 1
313 1 18 TRP H 1 19 TYR H . . 4.600 4.324 4.157 4.566 . 0 0 "[ . 1 . 2]" 1
314 1 18 TRP H 1 19 TYR QE . . 5.050 5.371 4.872 5.444 0.394 11 0 "[ . 1 . 2]" 1
315 1 18 TRP H 1 93 ILE MD . . 5.170 4.856 4.203 5.437 0.267 15 0 "[ . 1 . 2]" 1
316 1 18 TRP H 1 93 ILE MG . . 5.500 5.733 5.015 6.471 0.971 2 4 "[ + . 1 -* *]" 1
317 1 18 TRP H 1 94 THR H . . 4.850 4.777 3.778 5.420 0.570 19 3 "[ . *1 . +-]" 1
318 1 18 TRP H 1 94 THR MG . . 5.200 4.399 3.250 4.778 . 0 0 "[ . 1 . 2]" 1
319 1 18 TRP HA 1 19 TYR H . . 3.540 2.140 2.091 2.236 . 0 0 "[ . 1 . 2]" 1
320 1 18 TRP HA 1 19 TYR QD . . 4.860 3.857 2.990 4.680 . 0 0 "[ . 1 . 2]" 1
321 1 18 TRP HA 1 25 VAL MG1 . . 5.270 2.980 2.095 3.526 . 0 0 "[ . 1 . 2]" 1
322 1 18 TRP QB 1 19 TYR H . . 4.040 3.467 2.877 3.668 . 0 0 "[ . 1 . 2]" 1
323 1 18 TRP QB 1 91 VAL QG . . 3.640 2.925 2.231 3.603 . 0 0 "[ . 1 . 2]" 1
324 1 18 TRP QB 1 93 ILE MD . . 3.640 2.773 2.483 2.993 . 0 0 "[ . 1 . 2]" 1
325 1 18 TRP QB 1 93 ILE MG . . 4.940 3.971 3.595 4.619 . 0 0 "[ . 1 . 2]" 1
326 1 18 TRP HB2 1 19 TYR H . . 4.650 4.452 4.134 4.535 . 0 0 "[ . 1 . 2]" 1
327 1 18 TRP HB2 1 93 ILE MD . . 4.280 3.264 2.813 3.753 . 0 0 "[ . 1 . 2]" 1
328 1 18 TRP HB3 1 19 TYR H . . 4.650 3.622 2.936 3.875 . 0 0 "[ . 1 . 2]" 1
329 1 18 TRP HB3 1 93 ILE MD . . 4.280 3.032 2.746 3.259 . 0 0 "[ . 1 . 2]" 1
330 1 18 TRP HE3 1 93 ILE MD . . 5.500 4.745 4.403 5.073 . 0 0 "[ . 1 . 2]" 1
331 1 19 TYR H 1 20 LEU H . . 4.560 4.530 4.487 4.582 0.022 10 0 "[ . 1 . 2]" 1
332 1 19 TYR H 1 25 VAL MG1 . . 4.740 3.079 2.400 3.436 . 0 0 "[ . 1 . 2]" 1
333 1 19 TYR H 1 93 ILE MD . . 5.460 5.509 5.236 5.595 0.135 2 0 "[ . 1 . 2]" 1
334 1 19 TYR H 1 93 ILE MG . . 4.880 5.360 4.893 5.921 1.041 2 8 "[*+* . * * -**. 2]" 1
335 1 19 TYR H 1 94 THR MG . . 5.150 4.416 3.818 4.677 . 0 0 "[ . 1 . 2]" 1
336 1 19 TYR HA 1 20 LEU H . . 3.390 2.236 2.153 2.375 . 0 0 "[ . 1 . 2]" 1
337 1 19 TYR HA 1 20 LEU HG . . 5.500 4.428 3.822 4.811 . 0 0 "[ . 1 . 2]" 1
338 1 19 TYR HA 1 68 TYR QD . . 5.500 8.403 7.682 9.046 3.546 3 20 [**+********-********] 1
339 1 19 TYR HA 1 93 ILE MG . . 4.100 3.870 3.308 4.380 0.280 1 0 "[ . 1 . 2]" 1
340 1 19 TYR HA 1 94 THR HB . . 5.500 3.997 1.744 5.328 . 0 0 "[ . 1 . 2]" 1
341 1 19 TYR HA 1 94 THR MG . . 4.280 2.660 1.760 3.342 . 0 0 "[ . 1 . 2]" 1
342 1 19 TYR QB 1 20 LEU H . . 4.260 2.801 2.488 3.040 . 0 0 "[ . 1 . 2]" 1
343 1 19 TYR QB 1 21 GLN H . . 4.720 2.952 2.392 3.362 . 0 0 "[ . 1 . 2]" 1
344 1 19 TYR QB 1 25 VAL MG1 . . 5.450 4.104 3.501 4.932 . 0 0 "[ . 1 . 2]" 1
345 1 19 TYR QB 1 93 ILE MG . . 5.010 5.127 4.603 5.542 0.532 1 1 "[+ . 1 . 2]" 1
346 1 19 TYR QB 1 94 THR H . . 5.500 5.070 4.196 5.412 . 0 0 "[ . 1 . 2]" 1
347 1 19 TYR QB 1 94 THR MG . . 4.860 3.587 2.625 4.094 . 0 0 "[ . 1 . 2]" 1
348 1 19 TYR QD 1 93 ILE MG . . 4.550 5.666 4.747 6.185 1.635 1 19 "[+**** ************-*]" 1
349 1 20 LEU H 1 20 LEU HB2 . . 3.760 2.281 2.123 2.568 . 0 0 "[ . 1 . 2]" 1
350 1 20 LEU H 1 20 LEU QB . . 3.180 2.254 2.104 2.516 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU H 1 20 LEU HB3 . . 3.760 3.528 3.439 3.600 . 0 0 "[ . 1 . 2]" 1
352 1 20 LEU H 1 20 LEU QD . . 3.950 2.995 2.505 3.415 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU H 1 20 LEU HG . . 3.540 2.815 2.213 3.100 . 0 0 "[ . 1 . 2]" 1
354 1 20 LEU H 1 21 GLN H . . 4.200 2.871 2.666 3.016 . 0 0 "[ . 1 . 2]" 1
355 1 20 LEU H 1 66 ILE HB . . 5.190 6.107 5.813 6.325 1.135 19 20 [***********-******+*] 1
356 1 20 LEU H 1 93 ILE MD . . 4.460 5.360 5.099 5.815 1.355 20 20 [******************-+] 1
357 1 20 LEU H 1 93 ILE MG . . 3.700 3.416 3.077 3.866 0.166 20 0 "[ . 1 . 2]" 1
358 1 20 LEU H 1 94 THR H . . 5.150 3.887 3.535 4.182 . 0 0 "[ . 1 . 2]" 1
359 1 20 LEU H 1 94 THR MG . . 5.000 3.927 2.881 4.522 . 0 0 "[ . 1 . 2]" 1
360 1 20 LEU HA 1 20 LEU QD . . 3.880 2.533 2.242 2.820 . 0 0 "[ . 1 . 2]" 1
361 1 20 LEU HA 1 20 LEU HG . . 4.020 2.472 2.273 2.716 . 0 0 "[ . 1 . 2]" 1
362 1 20 LEU HA 1 66 ILE HB . . 3.830 4.346 3.909 4.754 0.924 9 11 "[ * .- +** * * ****]" 1
363 1 20 LEU HA 1 93 ILE MG . . 4.340 2.938 2.607 3.275 . 0 0 "[ . 1 . 2]" 1
364 1 20 LEU QB 1 20 LEU QD . . 2.770 1.851 1.775 1.920 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU QB 1 21 GLN H . . 3.630 2.605 2.293 3.070 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU QB 1 21 GLN QG . . 3.870 2.641 2.420 2.784 . 0 0 "[ . 1 . 2]" 1
367 1 20 LEU QB 1 68 TYR H . . 4.830 6.136 5.841 6.508 1.678 2 20 [*+***-**************] 1
368 1 20 LEU QB 1 93 ILE MG . . 3.250 3.638 3.413 3.797 0.547 16 2 "[ . 1 .+ -]" 1
369 1 20 LEU HB2 1 21 GLN H . . 4.150 2.742 2.331 3.273 . 0 0 "[ . 1 . 2]" 1
370 1 20 LEU HB2 1 21 GLN QG . . 5.230 3.114 2.486 3.622 . 0 0 "[ . 1 . 2]" 1
371 1 20 LEU HB3 1 21 GLN H . . 4.150 3.298 2.978 3.868 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU HB3 1 21 GLN QG . . 5.230 2.933 2.633 3.446 . 0 0 "[ . 1 . 2]" 1
373 1 20 LEU QD 1 21 GLN H . . 4.800 4.026 3.718 4.364 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU QD 1 21 GLN QG . . 5.280 3.763 3.600 3.991 . 0 0 "[ . 1 . 2]" 1
375 1 20 LEU QD 1 66 ILE H . . 5.070 4.846 4.445 5.269 0.199 20 0 "[ . 1 . 2]" 1
376 1 20 LEU QD 1 66 ILE HB . . 4.230 5.476 5.237 5.854 1.624 20 20 [*****-*************+] 1
377 1 20 LEU QD 1 67 THR HA . . 4.320 2.313 1.989 2.785 . 0 0 "[ . 1 . 2]" 1
378 1 20 LEU QD 1 68 TYR H . . 4.530 3.188 2.740 3.517 . 0 0 "[ . 1 . 2]" 1
379 1 20 LEU QD 1 68 TYR HA . . 3.930 4.214 3.868 4.280 0.350 4 0 "[ . 1 . 2]" 1
380 1 20 LEU QD 1 68 TYR QB . . 4.180 4.096 3.690 4.327 0.147 2 0 "[ . 1 . 2]" 1
381 1 20 LEU QD 1 68 TYR QD . . 4.550 3.028 2.298 3.681 . 0 0 "[ . 1 . 2]" 1
382 1 20 LEU QD 1 70 LEU H . . 3.910 5.745 5.329 6.071 2.161 20 20 [*****-*************+] 1
383 1 20 LEU QD 1 70 LEU QB . . 4.630 5.398 5.041 5.738 1.108 20 19 "[***** ************-+]" 1
384 1 20 LEU QD 1 71 ALA H . . 4.470 6.609 6.297 6.900 2.430 20 20 [*****-*************+] 1
385 1 20 LEU QD 1 71 ALA HA . . 4.520 7.442 7.204 7.659 3.139 11 20 [**********+**-******] 1
386 1 20 LEU QD 1 93 ILE MG . . 2.670 2.065 1.846 2.280 . 0 0 "[ . 1 . 2]" 1
387 1 20 LEU HG 1 68 TYR HA . . 3.970 5.808 5.264 6.336 2.366 16 20 [***********-***+****] 1
388 1 20 LEU HG 1 93 ILE MD . . 3.620 4.447 4.080 4.966 1.346 16 18 "[** ********** *+**-*]" 1
389 1 20 LEU HG 1 93 ILE MG . . 2.980 1.928 1.774 2.345 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLN H 1 21 GLN HB2 . . 3.790 2.640 2.303 3.471 . 0 0 "[ . 1 . 2]" 1
391 1 21 GLN H 1 22 ARG H . . 4.250 3.599 3.065 3.883 . 0 0 "[ . 1 . 2]" 1
392 1 21 GLN H 1 65 PRO QB . . 5.180 4.379 3.986 4.712 . 0 0 "[ . 1 . 2]" 1
393 1 21 GLN H 1 93 ILE MG . . 4.230 5.385 5.071 5.631 1.401 14 20 [*************+-*****] 1
394 1 21 GLN HA 1 21 GLN QG . . 3.310 2.777 2.429 3.245 . 0 0 "[ . 1 . 2]" 1
395 1 21 GLN HA 1 65 PRO QB . . 3.270 2.097 1.880 2.450 . 0 0 "[ . 1 . 2]" 1
396 1 21 GLN HA 1 66 ILE H . . 4.280 4.318 4.286 4.373 0.093 8 0 "[ . 1 . 2]" 1
397 1 21 GLN HB2 1 22 ARG H . . 4.520 4.429 4.201 4.540 0.020 13 0 "[ . 1 . 2]" 1
398 1 21 GLN HB2 1 22 ARG HA . . 5.340 5.028 4.440 5.402 0.062 13 0 "[ . 1 . 2]" 1
399 1 21 GLN HB3 1 22 ARG H . . 4.420 4.259 3.953 4.509 0.089 15 0 "[ . 1 . 2]" 1
400 1 21 GLN HB3 1 22 ARG HA . . 5.060 4.772 4.530 5.588 0.528 1 1 "[+ . 1 . 2]" 1
401 1 21 GLN HB3 1 65 PRO QB . . 4.710 4.064 3.651 4.367 . 0 0 "[ . 1 . 2]" 1
402 1 21 GLN HB3 1 65 PRO QG . . 5.310 4.809 4.500 5.461 0.151 2 0 "[ . 1 . 2]" 1
403 1 22 ARG H 1 65 PRO QB . . 4.350 2.430 1.779 2.774 . 0 0 "[ . 1 . 2]" 1
404 1 22 ARG H 1 66 ILE H . . 3.720 2.966 2.659 3.305 . 0 0 "[ . 1 . 2]" 1
405 1 22 ARG HA 1 22 ARG HD2 . . 3.680 3.429 1.782 4.595 0.915 9 7 "[* *.- *+1 * *]" 1
406 1 22 ARG HA 1 22 ARG QD . . 3.160 3.015 1.775 4.051 0.891 4 6 "[* +.* *1 - *]" 1
407 1 22 ARG HA 1 22 ARG HD3 . . 3.680 3.716 1.801 4.602 0.922 4 4 "[ +. 1- . **]" 1
408 1 22 ARG HA 1 22 ARG HG2 . . 3.980 2.916 2.032 3.710 . 0 0 "[ . 1 . 2]" 1
409 1 22 ARG HA 1 22 ARG QG . . 3.470 2.343 2.011 2.956 . 0 0 "[ . 1 . 2]" 1
410 1 22 ARG HA 1 22 ARG HG3 . . 3.980 2.867 2.080 3.737 . 0 0 "[ . 1 . 2]" 1
411 1 22 ARG HA 1 23 THR H . . 3.130 2.202 2.151 2.256 . 0 0 "[ . 1 . 2]" 1
412 1 22 ARG HA 1 23 THR MG . . 4.170 4.374 4.267 4.428 0.258 14 0 "[ . 1 . 2]" 1
413 1 22 ARG HA 1 25 VAL MG1 . . 4.760 4.365 3.976 4.598 . 0 0 "[ . 1 . 2]" 1
414 1 22 ARG QB 1 24 ASP QB . . 3.910 3.321 2.612 4.101 0.191 10 0 "[ . 1 . 2]" 1
415 1 22 ARG QG 1 24 ASP QB . . 4.970 3.174 1.952 4.491 . 0 0 "[ . 1 . 2]" 1
416 1 23 THR H 1 23 THR HB . . 4.120 3.435 3.343 3.515 . 0 0 "[ . 1 . 2]" 1
417 1 23 THR H 1 23 THR MG . . 3.350 3.179 2.916 3.346 . 0 0 "[ . 1 . 2]" 1
418 1 23 THR H 1 24 ASP H . . 4.190 2.306 2.095 2.545 . 0 0 "[ . 1 . 2]" 1
419 1 23 THR H 1 24 ASP QB . . 4.510 3.943 3.707 4.673 0.163 14 0 "[ . 1 . 2]" 1
420 1 23 THR H 1 25 VAL MG1 . . 4.490 4.444 4.121 4.768 0.278 2 0 "[ . 1 . 2]" 1
421 1 23 THR H 1 25 VAL MG2 . . 4.830 4.527 4.364 4.752 . 0 0 "[ . 1 . 2]" 1
422 1 23 THR HA 1 25 VAL H . . 4.220 3.143 2.979 3.307 . 0 0 "[ . 1 . 2]" 1
423 1 23 THR HB 1 24 ASP H . . 4.130 3.902 3.676 4.113 . 0 0 "[ . 1 . 2]" 1
424 1 23 THR HB 1 24 ASP HA . . 4.460 4.331 4.152 4.429 . 0 0 "[ . 1 . 2]" 1
425 1 23 THR HB 1 24 ASP QB . . 5.080 5.153 4.807 5.455 0.375 14 0 "[ . 1 . 2]" 1
426 1 23 THR MG 1 24 ASP H . . 4.290 4.369 4.316 4.425 0.135 20 0 "[ . 1 . 2]" 1
427 1 23 THR MG 1 64 GLY H . . 5.150 3.728 3.010 4.309 . 0 0 "[ . 1 . 2]" 1
428 1 23 THR MG 1 64 GLY HA2 . . 5.220 2.269 1.932 2.624 . 0 0 "[ . 1 . 2]" 1
429 1 23 THR MG 1 64 GLY QA . . 4.590 2.244 1.918 2.587 . 0 0 "[ . 1 . 2]" 1
430 1 23 THR MG 1 64 GLY HA3 . . 5.220 3.564 3.202 3.959 . 0 0 "[ . 1 . 2]" 1
431 1 23 THR MG 1 65 PRO QB . . 4.300 4.172 3.934 4.233 . 0 0 "[ . 1 . 2]" 1
432 1 23 THR MG 1 65 PRO HD3 . . 3.920 3.573 3.246 3.983 0.063 14 0 "[ . 1 . 2]" 1
433 1 24 ASP H 1 25 VAL H . . 3.660 2.792 2.589 2.876 . 0 0 "[ . 1 . 2]" 1
434 1 24 ASP H 1 25 VAL MG1 . . 4.640 3.370 3.052 3.620 . 0 0 "[ . 1 . 2]" 1
435 1 24 ASP H 1 25 VAL MG2 . . 4.450 3.761 3.507 3.994 . 0 0 "[ . 1 . 2]" 1
436 1 24 ASP HA 1 25 VAL H . . 3.400 3.061 3.034 3.101 . 0 0 "[ . 1 . 2]" 1
437 1 24 ASP HA 1 25 VAL MG2 . . 4.640 4.538 4.467 4.587 . 0 0 "[ . 1 . 2]" 1
438 1 24 ASP QB 1 25 VAL H . . 4.100 3.657 3.615 3.722 . 0 0 "[ . 1 . 2]" 1
439 1 24 ASP QB 1 25 VAL HA . . 4.730 4.061 3.902 4.196 . 0 0 "[ . 1 . 2]" 1
440 1 24 ASP QB 1 25 VAL MG1 . . 4.300 3.677 3.443 3.830 . 0 0 "[ . 1 . 2]" 1
441 1 24 ASP QB 1 26 LYS H . . 5.060 4.495 4.315 4.612 . 0 0 "[ . 1 . 2]" 1
442 1 25 VAL H 1 25 VAL HB . . 3.810 3.632 3.613 3.648 . 0 0 "[ . 1 . 2]" 1
443 1 25 VAL H 1 25 VAL MG1 . . 3.550 2.601 2.471 2.728 . 0 0 "[ . 1 . 2]" 1
444 1 25 VAL H 1 25 VAL MG2 . . 3.240 1.869 1.823 1.996 . 0 0 "[ . 1 . 2]" 1
445 1 25 VAL H 1 26 LYS H . . 3.920 2.663 2.482 2.881 . 0 0 "[ . 1 . 2]" 1
446 1 25 VAL H 1 26 LYS HA . . 5.130 4.807 4.760 4.853 . 0 0 "[ . 1 . 2]" 1
447 1 25 VAL H 1 26 LYS QG . . 4.750 4.136 3.849 4.602 . 0 0 "[ . 1 . 2]" 1
448 1 25 VAL H 1 62 PHE H . . 5.500 5.528 5.226 5.779 0.279 14 0 "[ . 1 . 2]" 1
449 1 25 VAL H 1 62 PHE QB . . 4.660 3.754 3.543 3.925 . 0 0 "[ . 1 . 2]" 1
450 1 25 VAL H 1 66 ILE MD . . 4.650 5.221 4.925 5.436 0.786 15 14 "[ ***. * *1* **+*-***]" 1
451 1 25 VAL HA 1 25 VAL MG1 . . 2.850 2.288 2.183 2.390 . 0 0 "[ . 1 . 2]" 1
452 1 25 VAL HA 1 25 VAL MG2 . . 3.730 3.211 3.203 3.218 . 0 0 "[ . 1 . 2]" 1
453 1 25 VAL HA 1 26 LYS H . . 3.180 3.023 2.854 3.149 . 0 0 "[ . 1 . 2]" 1
454 1 25 VAL HA 1 26 LYS HA . . 5.020 4.619 4.577 4.667 . 0 0 "[ . 1 . 2]" 1
455 1 25 VAL HA 1 26 LYS QG . . 5.490 4.767 4.472 5.149 . 0 0 "[ . 1 . 2]" 1
456 1 25 VAL HB 1 62 PHE QB . . 4.820 4.135 3.826 4.279 . 0 0 "[ . 1 . 2]" 1
457 1 25 VAL MG1 1 62 PHE QB . . 5.500 4.453 4.254 4.580 . 0 0 "[ . 1 . 2]" 1
458 1 25 VAL MG1 1 66 ILE MD . . 3.120 2.583 2.237 2.887 . 0 0 "[ . 1 . 2]" 1
459 1 25 VAL MG2 1 26 LYS H . . 3.590 3.361 3.098 3.569 . 0 0 "[ . 1 . 2]" 1
460 1 25 VAL MG2 1 62 PHE H . . 4.300 4.159 3.939 4.378 0.078 10 0 "[ . 1 . 2]" 1
461 1 25 VAL MG2 1 62 PHE QB . . 3.380 2.041 1.813 2.184 . 0 0 "[ . 1 . 2]" 1
462 1 25 VAL MG2 1 62 PHE QD . . 4.260 2.218 2.101 2.311 . 0 0 "[ . 1 . 2]" 1
463 1 25 VAL MG2 1 63 ARG H . . 5.500 5.012 4.942 5.090 . 0 0 "[ . 1 . 2]" 1
464 1 25 VAL MG2 1 66 ILE H . . 4.880 2.638 2.446 2.876 . 0 0 "[ . 1 . 2]" 1
465 1 25 VAL MG2 1 66 ILE MD . . 3.130 3.151 2.910 3.346 0.216 4 0 "[ . 1 . 2]" 1
466 1 25 VAL MG2 1 66 ILE HG12 . . 4.120 4.015 3.847 4.203 0.083 20 0 "[ . 1 . 2]" 1
467 1 25 VAL MG2 1 66 ILE HG13 . . 4.120 2.702 2.439 2.941 . 0 0 "[ . 1 . 2]" 1
468 1 25 VAL MG2 1 66 ILE MG . . 4.140 3.645 3.529 3.786 . 0 0 "[ . 1 . 2]" 1
469 1 26 LYS H 1 26 LYS QB . . 3.000 2.673 2.502 2.818 . 0 0 "[ . 1 . 2]" 1
470 1 26 LYS H 1 26 LYS QD . . 4.690 4.171 4.018 4.342 . 0 0 "[ . 1 . 2]" 1
471 1 26 LYS H 1 26 LYS QG . . 3.200 2.155 1.875 2.564 . 0 0 "[ . 1 . 2]" 1
472 1 26 LYS H 1 27 LEU H . . 4.820 4.552 4.504 4.589 . 0 0 "[ . 1 . 2]" 1
473 1 26 LYS H 1 61 PHE HA . . 5.460 5.445 5.155 5.649 0.189 20 0 "[ . 1 . 2]" 1
474 1 26 LYS H 1 62 PHE H . . 4.890 4.375 4.113 4.454 . 0 0 "[ . 1 . 2]" 1
475 1 26 LYS H 1 62 PHE QB . . 4.910 3.695 3.343 4.013 . 0 0 "[ . 1 . 2]" 1
476 1 26 LYS H 1 62 PHE QD . . 4.860 4.563 4.454 4.641 . 0 0 "[ . 1 . 2]" 1
477 1 26 LYS HA 1 26 LYS QD . . 4.750 3.909 3.691 4.030 . 0 0 "[ . 1 . 2]" 1
478 1 26 LYS HA 1 27 LEU H . . 3.390 2.366 2.317 2.402 . 0 0 "[ . 1 . 2]" 1
479 1 26 LYS HA 1 59 THR MG . . 5.370 5.885 5.651 6.127 0.757 3 12 "[**+ . *-*** ** **2]" 1
480 1 26 LYS HA 1 61 PHE HA . . 4.530 3.840 3.531 4.048 . 0 0 "[ . 1 . 2]" 1
481 1 26 LYS HA 1 62 PHE H . . 4.190 2.852 2.528 3.024 . 0 0 "[ . 1 . 2]" 1
482 1 26 LYS HA 1 62 PHE QD . . 3.910 2.091 1.912 2.257 . 0 0 "[ . 1 . 2]" 1
483 1 26 LYS HA 1 62 PHE HE1 . . 3.450 3.202 3.045 3.468 0.018 4 0 "[ . 1 . 2]" 1
484 1 26 LYS QB 1 26 LYS QD . . 3.210 1.934 1.901 2.111 . 0 0 "[ . 1 . 2]" 1
485 1 26 LYS QB 1 26 LYS QE . . 3.670 3.393 3.236 3.744 0.074 3 0 "[ . 1 . 2]" 1
486 1 26 LYS QB 1 27 LEU H . . 3.720 2.601 2.455 2.760 . 0 0 "[ . 1 . 2]" 1
487 1 26 LYS QB 1 59 THR MG . . 3.720 4.047 3.739 4.470 0.750 3 3 "[ + . 1 -. *2]" 1
488 1 26 LYS QB 1 61 PHE HA . . 4.240 2.011 1.829 2.161 . 0 0 "[ . 1 . 2]" 1
489 1 26 LYS QB 1 61 PHE QD . . 4.410 2.957 2.013 3.716 . 0 0 "[ . 1 . 2]" 1
490 1 26 LYS QB 1 61 PHE HZ . . 5.500 5.462 4.994 6.019 0.519 19 1 "[ . 1 . +2]" 1
491 1 26 LYS QB 1 62 PHE H . . 4.320 1.836 1.760 2.048 . 0 0 "[ . 1 . 2]" 1
492 1 26 LYS QB 1 62 PHE HE1 . . 4.960 4.553 4.388 4.822 . 0 0 "[ . 1 . 2]" 1
493 1 26 LYS QD 1 26 LYS QE . . 2.480 1.981 1.915 2.026 . 0 0 "[ . 1 . 2]" 1
494 1 26 LYS QD 1 59 THR MG . . 3.580 3.010 2.758 3.206 . 0 0 "[ . 1 . 2]" 1
495 1 26 LYS QD 1 61 PHE QD . . 4.330 3.034 2.089 3.855 . 0 0 "[ . 1 . 2]" 1
496 1 26 LYS QD 1 61 PHE HZ . . 4.210 4.389 3.204 6.021 1.811 11 7 "[ * . * *+ * - *]" 1
497 1 26 LYS QD 1 62 PHE H . . 4.760 4.003 3.695 4.312 . 0 0 "[ . 1 . 2]" 1
498 1 26 LYS QE 1 26 LYS QG . . 3.250 2.387 2.038 2.724 . 0 0 "[ . 1 . 2]" 1
499 1 26 LYS QE 1 27 LEU H . . 4.450 3.905 3.666 4.627 0.177 3 0 "[ . 1 . 2]" 1
500 1 26 LYS QE 1 59 THR MG . . 3.500 3.435 3.059 3.716 0.216 13 0 "[ . 1 . 2]" 1
501 1 26 LYS QE 1 60 LEU H . . 4.020 4.898 4.769 5.007 0.987 13 20 [************+*****-*] 1
502 1 26 LYS QE 1 61 PHE QD . . 4.050 4.761 3.738 5.414 1.364 6 16 "[** **+***1****** *-2]" 1
503 1 26 LYS QE 1 61 PHE QE . . 4.220 4.772 3.917 5.879 1.659 11 11 "[ *- .** *+* ** * *]" 1
504 1 26 LYS QG 1 27 LEU H . . 4.040 3.968 3.721 4.176 0.136 5 0 "[ . 1 . 2]" 1
505 1 26 LYS QG 1 59 THR MG . . 4.330 4.812 4.570 5.010 0.680 10 8 "[ *- . * *+* *. *2]" 1
506 1 26 LYS QG 1 61 PHE QD . . 5.500 3.556 2.909 4.407 . 0 0 "[ . 1 . 2]" 1
507 1 27 LEU H 1 27 LEU QB . . 3.760 2.728 2.658 2.860 . 0 0 "[ . 1 . 2]" 1
508 1 27 LEU H 1 27 LEU MD1 . . 4.210 3.867 2.969 3.999 . 0 0 "[ . 1 . 2]" 1
509 1 27 LEU H 1 27 LEU QD . . 3.650 3.426 2.897 3.525 . 0 0 "[ . 1 . 2]" 1
510 1 27 LEU H 1 27 LEU MD2 . . 4.210 3.853 3.763 4.036 . 0 0 "[ . 1 . 2]" 1
511 1 27 LEU H 1 27 LEU HG . . 4.650 2.830 2.529 2.981 . 0 0 "[ . 1 . 2]" 1
512 1 27 LEU H 1 28 THR H . . 4.660 4.388 4.262 4.458 . 0 0 "[ . 1 . 2]" 1
513 1 27 LEU H 1 59 THR MG . . 4.220 4.518 4.171 4.761 0.541 3 1 "[ + . 1 . 2]" 1
514 1 27 LEU H 1 60 LEU H . . 4.040 3.613 3.515 3.771 . 0 0 "[ . 1 . 2]" 1
515 1 27 LEU H 1 60 LEU HA . . 4.520 4.540 4.387 4.603 0.083 1 0 "[ . 1 . 2]" 1
516 1 27 LEU H 1 60 LEU QD . . 4.380 3.854 3.692 4.094 . 0 0 "[ . 1 . 2]" 1
517 1 27 LEU H 1 60 LEU HG . . 4.370 4.113 3.962 4.181 . 0 0 "[ . 1 . 2]" 1
518 1 27 LEU H 1 61 PHE HA . . 4.250 3.878 3.642 4.077 . 0 0 "[ . 1 . 2]" 1
519 1 27 LEU H 1 62 PHE H . . 5.000 4.143 3.928 4.396 . 0 0 "[ . 1 . 2]" 1
520 1 27 LEU H 1 62 PHE QD . . 4.040 3.216 2.998 3.516 . 0 0 "[ . 1 . 2]" 1
521 1 27 LEU HA 1 27 LEU MD1 . . 4.210 3.932 3.880 3.969 . 0 0 "[ . 1 . 2]" 1
522 1 27 LEU HA 1 27 LEU QD . . 3.030 2.353 2.226 2.901 . 0 0 "[ . 1 . 2]" 1
523 1 27 LEU HA 1 27 LEU MD2 . . 4.210 2.374 2.239 2.985 . 0 0 "[ . 1 . 2]" 1
524 1 27 LEU HA 1 27 LEU HG . . 4.200 3.060 2.876 3.132 . 0 0 "[ . 1 . 2]" 1
525 1 27 LEU HA 1 28 THR H . . 3.190 2.230 2.095 2.305 . 0 0 "[ . 1 . 2]" 1
526 1 27 LEU HA 1 28 THR HB . . 4.730 4.729 4.674 4.791 0.061 12 0 "[ . 1 . 2]" 1
527 1 27 LEU QB 1 27 LEU QD . . 2.820 1.861 1.756 1.891 . 0 0 "[ . 1 . 2]" 1
528 1 27 LEU QB 1 28 THR H . . 3.680 2.685 2.482 3.147 . 0 0 "[ . 1 . 2]" 1
529 1 27 LEU QB 1 29 CYS H . . 5.210 5.127 5.000 5.236 0.026 3 0 "[ . 1 . 2]" 1
530 1 27 LEU QB 1 29 CYS QB . . 5.130 5.185 4.744 5.699 0.569 5 2 "[ +- 1 . 2]" 1
531 1 27 LEU QB 1 60 LEU H . . 3.930 3.927 3.766 4.109 0.179 10 0 "[ . 1 . 2]" 1
532 1 27 LEU QB 1 60 LEU HA . . 5.050 5.092 4.874 5.232 0.182 16 0 "[ . 1 . 2]" 1
533 1 27 LEU QB 1 60 LEU QB . . 3.920 2.336 2.080 2.501 . 0 0 "[ . 1 . 2]" 1
534 1 27 LEU QB 1 60 LEU HG . . 3.730 3.467 3.203 3.746 0.016 16 0 "[ . 1 . 2]" 1
535 1 27 LEU QB 1 62 PHE QD . . 4.860 4.931 4.633 5.356 0.496 16 0 "[ . 1 . 2]" 1
536 1 27 LEU QB 1 74 TYR HE2 . . 4.810 4.976 4.515 5.546 0.736 2 4 "[ + . 1 - .** 2]" 1
537 1 27 LEU QD 1 28 THR H . . 3.420 3.451 3.217 4.159 0.739 16 1 "[ . 1 .+ 2]" 1
538 1 27 LEU QD 1 60 LEU QB . . 3.430 3.273 2.272 3.453 0.023 10 0 "[ . 1 . 2]" 1
539 1 27 LEU QD 1 60 LEU HG . . 3.940 3.272 2.253 3.360 . 0 0 "[ . 1 . 2]" 1
540 1 27 LEU QD 1 62 PHE HZ . . 3.400 3.142 2.623 3.605 0.205 8 0 "[ . 1 . 2]" 1
541 1 27 LEU QD 1 74 TYR H . . 5.440 4.399 4.275 4.496 . 0 0 "[ . 1 . 2]" 1
542 1 27 LEU QD 1 74 TYR QB . . 3.670 2.829 2.539 3.074 . 0 0 "[ . 1 . 2]" 1
543 1 27 LEU QD 1 89 VAL HB . . 5.010 3.864 3.579 4.303 . 0 0 "[ . 1 . 2]" 1
544 1 27 LEU QD 1 89 VAL QG . . 3.230 1.922 1.768 2.261 . 0 0 "[ . 1 . 2]" 1
545 1 27 LEU MD1 1 28 THR H . . 4.750 4.796 4.579 5.191 0.441 4 0 "[ . 1 . 2]" 1
546 1 27 LEU MD2 1 28 THR H . . 4.750 3.541 3.284 4.379 . 0 0 "[ . 1 . 2]" 1
547 1 27 LEU HG 1 28 THR H . . 4.740 4.910 4.825 5.089 0.349 4 0 "[ . 1 . 2]" 1
548 1 27 LEU HG 1 60 LEU HG . . 4.850 4.552 4.505 4.584 . 0 0 "[ . 1 . 2]" 1
549 1 27 LEU HG 1 62 PHE HZ . . 5.220 4.156 3.821 4.665 . 0 0 "[ . 1 . 2]" 1
550 1 28 THR H 1 28 THR HB . . 3.540 2.831 2.698 2.927 . 0 0 "[ . 1 . 2]" 1
551 1 28 THR H 1 28 THR MG . . 3.900 3.911 3.821 3.941 0.041 5 0 "[ . 1 . 2]" 1
552 1 28 THR H 1 29 CYS H . . 4.630 4.369 4.309 4.484 . 0 0 "[ . 1 . 2]" 1
553 1 28 THR H 1 29 CYS QB . . 5.500 5.481 5.165 5.973 0.473 16 0 "[ . 1 . 2]" 1
554 1 28 THR HA 1 29 CYS H . . 3.250 2.212 2.182 2.251 . 0 0 "[ . 1 . 2]" 1
555 1 28 THR HA 1 29 CYS QB . . 4.950 4.099 3.906 4.271 . 0 0 "[ . 1 . 2]" 1
556 1 28 THR HA 1 59 THR MG . . 4.760 2.955 2.440 3.328 . 0 0 "[ . 1 . 2]" 1
557 1 28 THR HA 1 60 LEU H . . 3.320 2.638 2.500 2.700 . 0 0 "[ . 1 . 2]" 1
558 1 28 THR HA 1 60 LEU HA . . 5.500 5.521 5.379 5.613 0.113 12 0 "[ . 1 . 2]" 1
559 1 28 THR HA 1 60 LEU QB . . 4.840 3.920 3.765 4.127 . 0 0 "[ . 1 . 2]" 1
560 1 28 THR HB 1 29 CYS H . . 4.340 3.896 3.803 3.971 . 0 0 "[ . 1 . 2]" 1
561 1 28 THR HB 1 30 LYS QG . . 4.310 4.062 3.790 4.852 0.542 17 1 "[ . 1 . + 2]" 1
562 1 28 THR MG 1 29 CYS H . . 3.540 2.290 2.212 2.435 . 0 0 "[ . 1 . 2]" 1
563 1 28 THR MG 1 29 CYS QB . . 4.510 4.073 4.031 4.136 . 0 0 "[ . 1 . 2]" 1
564 1 28 THR MG 1 30 LYS QG . . 3.490 3.898 3.410 4.397 0.907 17 6 "[ - . ** * .*+ 2]" 1
565 1 29 CYS H 1 29 CYS QB . . 3.710 2.343 2.235 2.411 . 0 0 "[ . 1 . 2]" 1
566 1 29 CYS H 1 30 LYS H . . 4.400 4.378 4.325 4.412 0.012 8 0 "[ . 1 . 2]" 1
567 1 29 CYS H 1 59 THR H . . 4.850 4.802 4.405 4.962 0.112 11 0 "[ . 1 . 2]" 1
568 1 29 CYS H 1 59 THR MG . . 4.580 4.338 3.888 4.607 0.027 17 0 "[ . 1 . 2]" 1
569 1 29 CYS H 1 60 LEU H . . 4.180 4.063 3.741 4.195 0.015 19 0 "[ . 1 . 2]" 1
570 1 29 CYS HA 1 30 LYS H . . 2.930 2.133 2.115 2.160 . 0 0 "[ . 1 . 2]" 1
571 1 29 CYS HA 1 30 LYS QB . . 4.900 4.704 4.532 4.773 . 0 0 "[ . 1 . 2]" 1
572 1 29 CYS QB 1 30 LYS H . . 4.340 3.522 3.217 3.792 . 0 0 "[ . 1 . 2]" 1
573 1 29 CYS QB 1 30 LYS HA . . 5.500 4.341 4.099 4.795 . 0 0 "[ . 1 . 2]" 1
574 1 29 CYS QB 1 59 THR H . . 4.640 5.102 4.454 5.355 0.715 19 9 "[ * ** *-1* . **+2]" 1
575 1 29 CYS QB 1 76 CYS QB . . 4.810 2.748 2.319 3.272 . 0 0 "[ . 1 . 2]" 1
576 1 30 LYS H 1 30 LYS QB . . 3.190 3.147 3.079 3.173 . 0 0 "[ . 1 . 2]" 1
577 1 30 LYS H 1 30 LYS QD . . 4.030 3.957 3.476 4.162 0.132 15 0 "[ . 1 . 2]" 1
578 1 30 LYS H 1 30 LYS QG . . 3.480 2.015 1.785 2.158 . 0 0 "[ . 1 . 2]" 1
579 1 30 LYS H 1 31 ALA H . . 4.740 4.356 4.216 4.482 . 0 0 "[ . 1 . 2]" 1
580 1 30 LYS HA 1 30 LYS QD . . 4.890 4.296 3.621 4.560 . 0 0 "[ . 1 . 2]" 1
581 1 30 LYS HA 1 30 LYS QE . . 5.340 4.486 4.067 5.479 0.139 15 0 "[ . 1 . 2]" 1
582 1 30 LYS HA 1 31 ALA MB . . 4.650 3.953 3.832 4.075 . 0 0 "[ . 1 . 2]" 1
583 1 30 LYS QB 1 30 LYS HD2 . . 3.900 2.433 2.116 3.295 . 0 0 "[ . 1 . 2]" 1
584 1 30 LYS QB 1 30 LYS QD . . 2.780 2.255 2.087 2.446 . 0 0 "[ . 1 . 2]" 1
585 1 30 LYS QB 1 30 LYS HD3 . . 3.900 3.122 2.303 3.313 . 0 0 "[ . 1 . 2]" 1
586 1 30 LYS QB 1 30 LYS QE . . 3.690 2.177 1.774 3.367 . 0 0 "[ . 1 . 2]" 1
587 1 30 LYS QB 1 31 ALA H . . 4.280 3.063 2.686 3.345 . 0 0 "[ . 1 . 2]" 1
588 1 30 LYS QB 1 32 ASP H . . 5.440 4.460 4.235 4.722 . 0 0 "[ . 1 . 2]" 1
589 1 30 LYS QD 1 30 LYS QE . . 2.340 2.060 2.007 2.090 . 0 0 "[ . 1 . 2]" 1
590 1 30 LYS QD 1 30 LYS QG . . 2.330 2.013 1.972 2.035 . 0 0 "[ . 1 . 2]" 1
591 1 30 LYS QE 1 30 LYS QG . . 2.960 2.301 1.984 2.835 . 0 0 "[ . 1 . 2]" 1
592 1 31 ALA HA 1 32 ASP H . . 2.950 2.135 2.106 2.156 . 0 0 "[ . 1 . 2]" 1
593 1 31 ALA HA 1 32 ASP QB . . 4.760 4.104 4.014 4.205 . 0 0 "[ . 1 . 2]" 1
594 1 31 ALA MB 1 32 ASP H . . 3.440 3.284 3.253 3.307 . 0 0 "[ . 1 . 2]" 1
595 1 31 ALA MB 1 33 ALA H . . 4.920 4.712 4.549 4.923 0.003 2 0 "[ . 1 . 2]" 1
596 1 31 ALA MB 1 78 ALA MB . . 2.980 2.207 1.948 2.569 . 0 0 "[ . 1 . 2]" 1
597 1 32 ASP H 1 32 ASP QB . . 3.230 2.303 2.193 2.416 . 0 0 "[ . 1 . 2]" 1
598 1 32 ASP H 1 33 ALA H . . 4.320 4.353 4.320 4.391 0.071 11 0 "[ . 1 . 2]" 1
599 1 32 ASP H 1 33 ALA HA . . 5.450 5.298 5.213 5.404 . 0 0 "[ . 1 . 2]" 1
600 1 32 ASP H 1 33 ALA MB . . 4.380 4.465 4.380 4.587 0.207 12 0 "[ . 1 . 2]" 1
601 1 32 ASP HA 1 33 ALA H . . 2.630 2.113 2.074 2.151 . 0 0 "[ . 1 . 2]" 1
602 1 32 ASP QB 1 33 ALA H . . 4.260 3.599 3.381 3.824 . 0 0 "[ . 1 . 2]" 1
603 1 33 ALA H 1 33 ALA MB . . 3.080 2.719 2.684 2.757 . 0 0 "[ . 1 . 2]" 1
604 1 33 ALA H 1 34 ASN H . . 4.550 4.344 4.318 4.356 . 0 0 "[ . 1 . 2]" 1
605 1 33 ALA HA 1 34 ASN H . . 2.980 2.462 2.328 2.512 . 0 0 "[ . 1 . 2]" 1
606 1 33 ALA HA 1 34 ASN QB . . 4.530 4.328 4.158 4.414 . 0 0 "[ . 1 . 2]" 1
607 1 33 ALA MB 1 34 ASN H . . 3.070 2.377 2.294 2.712 . 0 0 "[ . 1 . 2]" 1
608 1 33 ALA MB 1 34 ASN HA . . 4.880 4.308 4.249 4.415 . 0 0 "[ . 1 . 2]" 1
609 1 33 ALA MB 1 34 ASN QB . . 4.940 3.806 3.621 4.210 . 0 0 "[ . 1 . 2]" 1
610 1 33 ALA MB 1 37 ALA HA . . 4.660 4.791 4.485 5.222 0.562 11 2 "[ . -1+ . 2]" 1
611 1 33 ALA MB 1 80 ASN QB . . 3.700 3.653 3.429 3.911 0.211 11 0 "[ . 1 . 2]" 1
612 1 33 ALA MB 1 81 PRO QD . . 4.660 4.707 4.431 4.873 0.213 6 0 "[ . 1 . 2]" 1
613 1 34 ASN H 1 34 ASN QB . . 3.500 2.232 2.113 2.293 . 0 0 "[ . 1 . 2]" 1
614 1 34 ASN QB 1 82 ILE HG12 . . 5.500 4.563 4.048 5.115 . 0 0 "[ . 1 . 2]" 1
615 1 36 PRO HA 1 37 ALA MB . . 3.920 4.010 3.791 4.133 0.213 10 0 "[ . 1 . 2]" 1
616 1 36 PRO QD 1 37 ALA H . . 4.030 3.445 3.043 4.206 0.176 11 0 "[ . 1 . 2]" 1
617 1 36 PRO QG 1 37 ALA H . . 3.780 3.056 2.031 3.680 . 0 0 "[ . 1 . 2]" 1
618 1 37 ALA H 1 37 ALA MB . . 3.050 2.815 2.488 2.931 . 0 0 "[ . 1 . 2]" 1
619 1 37 ALA H 1 38 THR H . . 4.700 4.179 3.835 4.456 . 0 0 "[ . 1 . 2]" 1
620 1 37 ALA H 1 80 ASN QB . . 5.060 5.887 5.556 6.085 1.025 14 19 "[**********- *+******]" 1
621 1 37 ALA HA 1 39 GLU H . . 4.720 3.922 3.725 4.153 . 0 0 "[ . 1 . 2]" 1
622 1 37 ALA HA 1 80 ASN HA . . 3.870 3.157 2.305 3.568 . 0 0 "[ . 1 . 2]" 1
623 1 37 ALA HA 1 80 ASN QB . . 3.740 3.718 3.255 3.851 0.111 14 0 "[ . 1 . 2]" 1
624 1 37 ALA HA 1 81 PRO QD . . 4.500 3.843 2.488 4.470 . 0 0 "[ . 1 . 2]" 1
625 1 37 ALA MB 1 39 GLU H . . 3.560 3.037 2.771 3.328 . 0 0 "[ . 1 . 2]" 1
626 1 37 ALA MB 1 78 ALA HA . . 5.500 4.073 3.548 4.430 . 0 0 "[ . 1 . 2]" 1
627 1 37 ALA MB 1 79 THR H . . 4.460 3.609 3.237 4.007 . 0 0 "[ . 1 . 2]" 1
628 1 37 ALA MB 1 80 ASN HA . . 4.420 4.212 3.239 4.650 0.230 10 0 "[ . 1 . 2]" 1
629 1 37 ALA MB 1 80 ASN QB . . 4.210 4.377 3.898 4.593 0.383 1 0 "[ . 1 . 2]" 1
630 1 38 THR H 1 39 GLU H . . 3.940 2.183 1.989 2.524 . 0 0 "[ . 1 . 2]" 1
631 1 38 THR HA 1 38 THR MG . . 3.230 2.337 2.244 2.448 . 0 0 "[ . 1 . 2]" 1
632 1 38 THR HB 1 39 GLU H . . 4.110 3.836 3.729 3.956 . 0 0 "[ . 1 . 2]" 1
633 1 38 THR HB 1 39 GLU QG . . 5.130 4.756 4.198 4.909 . 0 0 "[ . 1 . 2]" 1
634 1 38 THR MG 1 39 GLU H . . 4.000 3.810 3.625 3.948 . 0 0 "[ . 1 . 2]" 1
635 1 38 THR MG 1 80 ASN H . . 4.750 4.562 4.339 4.622 . 0 0 "[ . 1 . 2]" 1
636 1 38 THR MG 1 80 ASN HA . . 5.000 2.254 1.984 2.779 . 0 0 "[ . 1 . 2]" 1
637 1 38 THR MG 1 80 ASN QB . . 4.620 3.974 3.779 4.327 . 0 0 "[ . 1 . 2]" 1
638 1 38 THR MG 1 81 PRO HA . . 4.050 3.740 3.370 4.027 . 0 0 "[ . 1 . 2]" 1
639 1 38 THR MG 1 81 PRO QD . . 4.550 1.912 1.755 2.660 . 0 0 "[ . 1 . 2]" 1
640 1 39 GLU H 1 39 GLU HB2 . . 3.900 2.773 2.694 2.905 . 0 0 "[ . 1 . 2]" 1
641 1 39 GLU H 1 39 GLU QB . . 3.210 2.648 2.571 2.741 . 0 0 "[ . 1 . 2]" 1
642 1 39 GLU H 1 39 GLU HB3 . . 3.900 3.379 3.147 3.808 . 0 0 "[ . 1 . 2]" 1
643 1 39 GLU H 1 39 GLU QG . . 3.720 4.032 3.610 4.139 0.419 8 0 "[ . 1 . 2]" 1
644 1 39 GLU H 1 40 TYR H . . 4.460 4.406 4.367 4.433 . 0 0 "[ . 1 . 2]" 1
645 1 39 GLU H 1 79 THR H . . 3.890 2.950 2.865 3.159 . 0 0 "[ . 1 . 2]" 1
646 1 39 GLU H 1 79 THR HB . . 3.740 2.505 2.308 2.643 . 0 0 "[ . 1 . 2]" 1
647 1 39 GLU H 1 79 THR MG . . 3.820 3.833 3.685 3.910 0.090 10 0 "[ . 1 . 2]" 1
648 1 39 GLU H 1 80 ASN HA . . 4.220 3.830 3.778 3.913 . 0 0 "[ . 1 . 2]" 1
649 1 39 GLU HA 1 40 TYR H . . 2.830 2.268 2.209 2.336 . 0 0 "[ . 1 . 2]" 1
650 1 39 GLU QB 1 40 TYR H . . 3.720 2.931 2.352 3.271 . 0 0 "[ . 1 . 2]" 1
651 1 39 GLU QB 1 79 THR HA . . 5.130 4.245 4.071 4.501 . 0 0 "[ . 1 . 2]" 1
652 1 39 GLU QB 1 79 THR HB . . 2.950 1.780 1.695 2.079 . 0 0 "[ . 1 . 2]" 1
653 1 39 GLU QB 1 79 THR MG . . 3.850 2.867 2.765 2.964 . 0 0 "[ . 1 . 2]" 1
654 1 39 GLU HB2 1 40 TYR HA . . 5.500 5.418 4.846 5.538 0.038 9 0 "[ . 1 . 2]" 1
655 1 39 GLU HB2 1 79 THR HB . . 3.540 1.880 1.740 2.178 . 0 0 "[ . 1 . 2]" 1
656 1 39 GLU HB3 1 40 TYR HA . . 5.500 4.094 4.009 4.253 . 0 0 "[ . 1 . 2]" 1
657 1 39 GLU HB3 1 79 THR HB . . 3.540 2.343 1.858 3.383 . 0 0 "[ . 1 . 2]" 1
658 1 39 GLU QG 1 40 TYR H . . 4.060 2.633 2.180 3.527 . 0 0 "[ . 1 . 2]" 1
659 1 39 GLU QG 1 79 THR HB . . 4.220 3.807 3.632 4.142 . 0 0 "[ . 1 . 2]" 1
660 1 40 TYR H 1 40 TYR HB2 . . 3.990 2.652 2.531 2.803 . 0 0 "[ . 1 . 2]" 1
661 1 40 TYR H 1 40 TYR QB . . 3.500 2.558 2.473 2.654 . 0 0 "[ . 1 . 2]" 1
662 1 40 TYR H 1 40 TYR HB3 . . 3.990 3.395 3.248 3.586 . 0 0 "[ . 1 . 2]" 1
663 1 40 TYR H 1 41 HIS H . . 4.460 4.212 4.157 4.324 . 0 0 "[ . 1 . 2]" 1
664 1 40 TYR H 1 41 HIS QB . . 5.300 5.144 4.654 5.673 0.373 14 0 "[ . 1 . 2]" 1
665 1 40 TYR H 1 79 THR H . . 4.620 4.308 4.241 4.410 . 0 0 "[ . 1 . 2]" 1
666 1 40 TYR HA 1 40 TYR HD1 . . 4.920 2.761 1.765 3.492 . 0 0 "[ . 1 . 2]" 1
667 1 40 TYR HA 1 78 ALA MB . . 4.880 3.480 3.269 3.693 . 0 0 "[ . 1 . 2]" 1
668 1 40 TYR HA 1 79 THR H . . 3.100 3.116 3.055 3.208 0.108 16 0 "[ . 1 . 2]" 1
669 1 40 TYR QB 1 78 ALA MB . . 4.510 4.580 4.344 4.848 0.338 9 0 "[ . 1 . 2]" 1
670 1 40 TYR QB 1 79 THR H . . 4.590 4.857 4.625 5.025 0.435 6 0 "[ . 1 . 2]" 1
671 1 40 TYR HB2 1 40 TYR HD1 . . 3.730 3.342 2.455 3.759 0.029 19 0 "[ . 1 . 2]" 1
672 1 40 TYR HB2 1 78 ALA MB . . 5.310 5.080 4.643 5.464 0.154 6 0 "[ . 1 . 2]" 1
673 1 40 TYR HB3 1 40 TYR HD1 . . 3.730 3.066 2.429 3.726 . 0 0 "[ . 1 . 2]" 1
674 1 40 TYR HB3 1 78 ALA MB . . 5.310 5.233 5.000 5.563 0.253 9 0 "[ . 1 . 2]" 1
675 1 41 HIS H 1 77 GLU QB . . 4.040 3.369 2.569 3.727 . 0 0 "[ . 1 . 2]" 1
676 1 41 HIS H 1 78 ALA HA . . 4.700 3.067 2.849 3.327 . 0 0 "[ . 1 . 2]" 1
677 1 41 HIS H 1 79 THR H . . 4.330 4.395 4.330 4.455 0.125 14 0 "[ . 1 . 2]" 1
678 1 41 HIS QB 1 42 TRP H . . 3.870 3.256 2.816 3.739 . 0 0 "[ . 1 . 2]" 1
679 1 41 HIS QB 1 77 GLU QB . . 3.620 1.981 1.778 2.461 . 0 0 "[ . 1 . 2]" 1
680 1 41 HIS QB 1 77 GLU QG . . 4.190 2.501 1.788 3.492 . 0 0 "[ . 1 . 2]" 1
681 1 41 HIS HB2 1 77 GLU QB . . 3.400 2.194 1.784 3.253 . 0 0 "[ . 1 . 2]" 1
682 1 41 HIS HB3 1 77 GLU QB . . 3.400 2.748 1.806 3.988 0.588 2 2 "[ + . 1 . - 2]" 1
683 1 42 TRP H 1 43 THR H . . 4.810 4.222 4.156 4.306 . 0 0 "[ . 1 . 2]" 1
684 1 42 TRP H 1 43 THR HA . . 5.360 4.983 4.848 5.089 . 0 0 "[ . 1 . 2]" 1
685 1 43 THR H 1 43 THR HB . . 3.990 3.486 3.344 3.705 . 0 0 "[ . 1 . 2]" 1
686 1 43 THR H 1 43 THR MG . . 4.580 3.871 3.508 4.006 . 0 0 "[ . 1 . 2]" 1
687 1 43 THR H 1 44 THR H . . 4.530 4.332 4.283 4.368 . 0 0 "[ . 1 . 2]" 1
688 1 43 THR H 1 75 ILE H . . 4.790 3.755 3.514 4.088 . 0 0 "[ . 1 . 2]" 1
689 1 43 THR H 1 75 ILE HB . . 4.240 3.525 3.223 3.686 . 0 0 "[ . 1 . 2]" 1
690 1 43 THR HA 1 44 THR H . . 3.240 2.263 2.222 2.355 . 0 0 "[ . 1 . 2]" 1
691 1 43 THR HA 1 44 THR MG . . 3.480 3.465 3.268 3.650 0.170 7 0 "[ . 1 . 2]" 1
692 1 43 THR HB 1 44 THR H . . 3.290 3.183 2.995 3.302 0.012 17 0 "[ . 1 . 2]" 1
693 1 43 THR HB 1 44 THR MG . . 5.140 4.869 4.766 4.949 . 0 0 "[ . 1 . 2]" 1
694 1 43 THR HB 1 47 GLY H . . 5.500 4.856 4.722 4.936 . 0 0 "[ . 1 . 2]" 1
695 1 43 THR HB 1 75 ILE H . . 5.500 5.117 4.779 5.507 0.007 7 0 "[ . 1 . 2]" 1
696 1 43 THR HB 1 75 ILE MG . . 5.500 4.885 4.461 5.250 . 0 0 "[ . 1 . 2]" 1
697 1 44 THR H 1 44 THR HB . . 3.960 3.703 3.614 3.734 . 0 0 "[ . 1 . 2]" 1
698 1 44 THR H 1 44 THR MG . . 3.180 2.454 2.246 2.729 . 0 0 "[ . 1 . 2]" 1
699 1 44 THR H 1 45 LEU H . . 4.830 4.517 4.497 4.562 . 0 0 "[ . 1 . 2]" 1
700 1 44 THR H 1 47 GLY H . . 4.090 3.275 2.965 3.488 . 0 0 "[ . 1 . 2]" 1
701 1 44 THR H 1 48 SER H . . 4.680 3.979 3.517 4.412 . 0 0 "[ . 1 . 2]" 1
702 1 44 THR H 1 75 ILE H . . 5.030 4.668 4.544 4.835 . 0 0 "[ . 1 . 2]" 1
703 1 44 THR H 1 75 ILE MD . . 4.470 4.228 4.158 4.262 . 0 0 "[ . 1 . 2]" 1
704 1 44 THR HA 1 44 THR MG . . 3.340 2.460 2.319 2.529 . 0 0 "[ . 1 . 2]" 1
705 1 44 THR HA 1 75 ILE H . . 4.040 2.534 2.414 2.708 . 0 0 "[ . 1 . 2]" 1
706 1 44 THR HA 1 75 ILE MD . . 3.810 2.666 2.382 2.839 . 0 0 "[ . 1 . 2]" 1
707 1 44 THR HA 1 75 ILE QG . . 4.890 2.936 2.479 3.446 . 0 0 "[ . 1 . 2]" 1
708 1 44 THR HB 1 45 LEU H . . 3.640 2.312 2.207 2.430 . 0 0 "[ . 1 . 2]" 1
709 1 44 THR HB 1 75 ILE H . . 4.540 4.563 4.324 4.632 0.092 5 0 "[ . 1 . 2]" 1
710 1 44 THR HB 1 75 ILE MD . . 4.090 4.264 4.032 4.310 0.220 13 0 "[ . 1 . 2]" 1
711 1 44 THR MG 1 45 LEU H . . 4.150 3.768 3.527 3.876 . 0 0 "[ . 1 . 2]" 1
712 1 44 THR MG 1 46 ASN H . . 5.010 4.074 3.941 4.189 . 0 0 "[ . 1 . 2]" 1
713 1 44 THR MG 1 47 GLY H . . 4.580 4.228 4.010 4.476 . 0 0 "[ . 1 . 2]" 1
714 1 44 THR MG 1 48 SER H . . 4.890 3.978 3.593 4.290 . 0 0 "[ . 1 . 2]" 1
715 1 44 THR MG 1 74 TYR HD2 . . 5.250 4.914 4.207 5.513 0.263 11 0 "[ . 1 . 2]" 1
716 1 44 THR MG 1 75 ILE H . . 3.650 3.441 3.018 3.710 0.060 4 0 "[ . 1 . 2]" 1
717 1 45 LEU H 1 45 LEU QB . . 3.550 2.065 2.039 2.100 . 0 0 "[ . 1 . 2]" 1
718 1 45 LEU H 1 45 LEU QD . . 4.510 3.526 3.191 3.659 . 0 0 "[ . 1 . 2]" 1
719 1 45 LEU H 1 73 THR HB . . 4.310 2.878 2.667 3.189 . 0 0 "[ . 1 . 2]" 1
720 1 45 LEU H 1 73 THR MG . . 4.770 4.237 3.916 4.488 . 0 0 "[ . 1 . 2]" 1
721 1 45 LEU H 1 75 ILE H . . 4.840 4.532 4.310 4.759 . 0 0 "[ . 1 . 2]" 1
722 1 45 LEU H 1 75 ILE MD . . 4.080 2.778 2.580 2.934 . 0 0 "[ . 1 . 2]" 1
723 1 45 LEU HA 1 45 LEU QD . . 2.680 2.258 1.795 2.927 0.247 10 0 "[ . 1 . 2]" 1
724 1 45 LEU HA 1 45 LEU HG . . 3.260 2.546 2.119 2.984 . 0 0 "[ . 1 . 2]" 1
725 1 45 LEU HA 1 47 GLY H . . 5.500 3.866 3.647 4.092 . 0 0 "[ . 1 . 2]" 1
726 1 45 LEU HA 1 75 ILE MD . . 3.050 2.492 2.332 2.653 . 0 0 "[ . 1 . 2]" 1
727 1 45 LEU HA 1 75 ILE MG . . 5.500 5.554 5.393 5.635 0.135 6 0 "[ . 1 . 2]" 1
728 1 45 LEU QB 1 45 LEU QD . . 2.350 1.895 1.779 1.996 . 0 0 "[ . 1 . 2]" 1
729 1 45 LEU QB 1 46 ASN H . . 5.250 3.094 2.925 3.221 . 0 0 "[ . 1 . 2]" 1
730 1 45 LEU QB 1 73 THR H . . 4.140 3.246 2.896 3.883 . 0 0 "[ . 1 . 2]" 1
731 1 45 LEU QB 1 73 THR HB . . 3.500 2.037 1.732 2.635 . 0 0 "[ . 1 . 2]" 1
732 1 45 LEU QB 1 73 THR MG . . 3.600 3.496 3.197 4.021 0.421 6 0 "[ . 1 . 2]" 1
733 1 45 LEU QB 1 75 ILE MD . . 3.210 3.098 2.771 3.373 0.163 6 0 "[ . 1 . 2]" 1
734 1 45 LEU QD 1 46 ASN H . . 5.370 4.230 4.067 4.414 . 0 0 "[ . 1 . 2]" 1
735 1 45 LEU QD 1 72 GLY QA . . 5.220 4.873 4.305 5.268 0.048 14 0 "[ . 1 . 2]" 1
736 1 45 LEU QD 1 73 THR H . . 4.100 3.945 3.554 4.123 0.023 2 0 "[ . 1 . 2]" 1
737 1 45 LEU QD 1 73 THR HB . . 2.750 2.470 1.882 2.942 0.192 15 0 "[ . 1 . 2]" 1
738 1 45 LEU QD 1 75 ILE MD . . 2.760 2.446 1.635 3.145 0.385 18 0 "[ . 1 . 2]" 1
739 1 45 LEU HG 1 73 THR HB . . 4.220 3.253 2.193 4.262 0.042 1 0 "[ . 1 . 2]" 1
740 1 45 LEU HG 1 75 ILE MD . . 3.940 2.516 1.792 3.545 . 0 0 "[ . 1 . 2]" 1
741 1 46 ASN H 1 47 GLY HA2 . . 5.310 4.543 4.358 4.706 . 0 0 "[ . 1 . 2]" 1
742 1 46 ASN H 1 47 GLY QA . . 4.510 4.197 4.038 4.336 . 0 0 "[ . 1 . 2]" 1
743 1 46 ASN H 1 47 GLY HA3 . . 5.310 4.935 4.774 5.077 . 0 0 "[ . 1 . 2]" 1
744 1 46 ASN HA 1 48 SER H . . 4.320 4.319 4.210 4.439 0.119 9 0 "[ . 1 . 2]" 1
745 1 46 ASN QB 1 47 GLY H . . 4.760 3.212 3.031 3.821 . 0 0 "[ . 1 . 2]" 1
746 1 46 ASN QB 1 48 SER H . . 4.130 2.616 2.273 3.779 . 0 0 "[ . 1 . 2]" 1
747 1 50 PRO HA 1 51 LYS H . . 3.240 2.255 2.172 2.374 . 0 0 "[ . 1 . 2]" 1
748 1 50 PRO HA 1 51 LYS QB . . 4.480 4.318 4.145 4.669 0.189 14 0 "[ . 1 . 2]" 1
749 1 50 PRO HB2 1 53 VAL QG . . 3.820 2.498 1.826 3.357 . 0 0 "[ . 1 . 2]" 1
750 1 50 PRO HB2 1 70 LEU QD . . 3.200 2.345 1.846 2.840 . 0 0 "[ . 1 . 2]" 1
751 1 50 PRO HB3 1 51 LYS H . . 3.780 3.272 2.903 3.678 . 0 0 "[ . 1 . 2]" 1
752 1 50 PRO HB3 1 53 VAL QG . . 4.610 3.783 3.292 4.136 . 0 0 "[ . 1 . 2]" 1
753 1 50 PRO HB3 1 70 LEU HA . . 5.500 3.970 2.936 4.782 . 0 0 "[ . 1 . 2]" 1
754 1 50 PRO HB3 1 70 LEU QD . . 3.250 2.806 2.129 3.471 0.221 12 0 "[ . 1 . 2]" 1
755 1 50 PRO HD2 1 53 VAL H . . 5.180 4.636 4.113 5.715 0.535 19 1 "[ . 1 . +2]" 1
756 1 50 PRO HD2 1 53 VAL QG . . 3.620 2.366 1.818 3.496 . 0 0 "[ . 1 . 2]" 1
757 1 50 PRO HD2 1 74 TYR HE1 . . 4.800 4.146 3.025 5.105 0.305 18 0 "[ . 1 . 2]" 1
758 1 50 PRO HD3 1 53 VAL QG . . 4.070 3.709 3.209 4.366 0.296 19 0 "[ . 1 . 2]" 1
759 1 50 PRO HD3 1 74 TYR HE1 . . 4.120 3.795 2.823 4.802 0.682 18 1 "[ . 1 . + 2]" 1
760 1 50 PRO QG 1 53 VAL QG . . 3.660 2.667 1.790 3.319 . 0 0 "[ . 1 . 2]" 1
761 1 50 PRO QG 1 70 LEU QD . . 3.230 2.276 1.914 2.679 . 0 0 "[ . 1 . 2]" 1
762 1 50 PRO QG 1 74 TYR HE1 . . 4.160 3.544 2.797 4.436 0.276 12 0 "[ . 1 . 2]" 1
763 1 51 LYS H 1 51 LYS QB . . 3.090 2.357 2.118 2.730 . 0 0 "[ . 1 . 2]" 1
764 1 51 LYS H 1 51 LYS QE . . 5.130 4.214 2.574 5.004 . 0 0 "[ . 1 . 2]" 1
765 1 51 LYS H 1 51 LYS HG2 . . 3.990 2.989 1.871 4.518 0.528 5 1 "[ + 1 . 2]" 1
766 1 51 LYS H 1 51 LYS QG . . 3.490 2.649 1.856 3.568 0.078 11 0 "[ . 1 . 2]" 1
767 1 51 LYS H 1 51 LYS HG3 . . 3.990 3.471 2.422 4.198 0.208 15 0 "[ . 1 . 2]" 1
768 1 51 LYS H 1 53 VAL QG . . 5.440 4.479 4.044 4.729 . 0 0 "[ . 1 . 2]" 1
769 1 51 LYS H 1 70 LEU QD . . 5.320 4.613 3.667 5.302 . 0 0 "[ . 1 . 2]" 1
770 1 51 LYS HA 1 51 LYS QB . . 2.670 2.365 2.170 2.507 . 0 0 "[ . 1 . 2]" 1
771 1 51 LYS HA 1 51 LYS HG2 . . 3.500 3.163 2.451 4.080 0.580 10 2 "[ .- + . 2]" 1
772 1 51 LYS HA 1 51 LYS QG . . 2.990 2.759 2.030 3.357 0.367 10 0 "[ . 1 . 2]" 1
773 1 51 LYS HA 1 51 LYS HG3 . . 3.500 3.337 2.048 3.961 0.461 14 0 "[ . 1 . 2]" 1
774 1 51 LYS QD 1 51 LYS QE . . 2.420 2.053 2.009 2.091 . 0 0 "[ . 1 . 2]" 1
775 1 51 LYS QD 1 51 LYS HG2 . . 2.550 2.317 2.146 2.531 . 0 0 "[ . 1 . 2]" 1
776 1 51 LYS QD 1 51 LYS QG . . 2.200 2.046 2.010 2.090 . 0 0 "[ . 1 . 2]" 1
777 1 51 LYS QD 1 51 LYS HG3 . . 2.550 2.338 2.143 2.530 . 0 0 "[ . 1 . 2]" 1
778 1 51 LYS QE 1 51 LYS QG . . 2.920 2.118 1.925 2.377 . 0 0 "[ . 1 . 2]" 1
779 1 53 VAL H 1 53 VAL HB . . 3.660 3.682 3.573 3.729 0.069 7 0 "[ . 1 . 2]" 1
780 1 53 VAL H 1 53 VAL QG . . 3.160 1.971 1.812 2.157 . 0 0 "[ . 1 . 2]" 1
781 1 53 VAL H 1 54 GLU H . . 4.720 4.505 4.427 4.552 . 0 0 "[ . 1 . 2]" 1
782 1 53 VAL H 1 63 ARG H . . 5.480 5.009 4.493 5.284 . 0 0 "[ . 1 . 2]" 1
783 1 53 VAL HA 1 54 GLU H . . 3.040 2.200 2.129 2.268 . 0 0 "[ . 1 . 2]" 1
784 1 53 VAL HA 1 63 ARG H . . 3.910 2.574 2.088 2.911 . 0 0 "[ . 1 . 2]" 1
785 1 53 VAL HA 1 63 ARG QB . . 4.030 3.214 2.624 3.860 . 0 0 "[ . 1 . 2]" 1
786 1 53 VAL QG 1 54 GLU H . . 3.250 3.427 3.274 3.535 0.285 11 0 "[ . 1 . 2]" 1
787 1 53 VAL QG 1 61 PHE HA . . 5.440 5.313 5.112 5.536 0.096 3 0 "[ . 1 . 2]" 1
788 1 53 VAL QG 1 62 PHE H . . 4.390 4.428 4.206 4.781 0.391 3 0 "[ . 1 . 2]" 1
789 1 53 VAL QG 1 62 PHE HA . . 3.650 2.521 1.847 3.051 . 0 0 "[ . 1 . 2]" 1
790 1 53 VAL QG 1 63 ARG H . . 4.130 3.258 2.307 3.893 . 0 0 "[ . 1 . 2]" 1
791 1 54 GLU H 1 54 GLU HB2 . . 3.950 2.439 2.137 3.730 . 0 0 "[ . 1 . 2]" 1
792 1 54 GLU H 1 54 GLU QB . . 3.410 2.270 2.113 2.649 . 0 0 "[ . 1 . 2]" 1
793 1 54 GLU H 1 54 GLU HB3 . . 3.950 3.092 2.325 3.622 . 0 0 "[ . 1 . 2]" 1
794 1 54 GLU H 1 54 GLU QG . . 4.140 3.547 2.319 4.079 . 0 0 "[ . 1 . 2]" 1
795 1 54 GLU H 1 61 PHE QB . . 3.910 3.616 3.385 3.839 . 0 0 "[ . 1 . 2]" 1
796 1 54 GLU H 1 62 PHE H . . 5.000 4.816 4.628 5.169 0.169 16 0 "[ . 1 . 2]" 1
797 1 54 GLU H 1 62 PHE HA . . 3.790 3.126 2.872 3.368 . 0 0 "[ . 1 . 2]" 1
798 1 54 GLU H 1 63 ARG H . . 4.200 3.437 3.179 3.590 . 0 0 "[ . 1 . 2]" 1
799 1 54 GLU H 1 63 ARG HA . . 5.220 4.300 4.186 4.365 . 0 0 "[ . 1 . 2]" 1
800 1 54 GLU H 1 63 ARG QB . . 4.190 3.685 2.642 4.338 0.148 3 0 "[ . 1 . 2]" 1
801 1 54 GLU H 1 63 ARG QG . . 4.970 3.317 2.449 4.155 . 0 0 "[ . 1 . 2]" 1
802 1 54 GLU QB 1 61 PHE QB . . 4.070 2.529 1.997 3.830 . 0 0 "[ . 1 . 2]" 1
803 1 54 GLU QG 1 61 PHE H . . 4.600 5.369 3.217 6.103 1.503 1 15 "[+* *.****** -*.* ***]" 1
804 1 54 GLU QG 1 63 ARG H . . 3.400 5.702 3.927 6.742 3.342 17 20 [***************-+***] 1
805 1 54 GLU QG 1 63 ARG QB . . 3.000 4.524 1.996 6.185 3.185 3 18 "[**+-*********** * **]" 1
806 1 54 GLU QG 1 64 GLY H . . 5.350 7.395 5.618 8.442 3.092 3 19 "[**+*-********** ****]" 1
807 1 55 ALA H 1 55 ALA MB . . 3.480 2.320 2.134 2.506 . 0 0 "[ . 1 . 2]" 1
808 1 55 ALA H 1 56 GLN H . . 4.940 4.408 4.241 4.538 . 0 0 "[ . 1 . 2]" 1
809 1 55 ALA HA 1 60 LEU QD . . 4.710 2.740 2.316 3.211 . 0 0 "[ . 1 . 2]" 1
810 1 55 ALA MB 1 56 GLN H . . 3.560 3.126 2.992 3.274 . 0 0 "[ . 1 . 2]" 1
811 1 55 ALA MB 1 56 GLN QB . . 5.340 4.602 4.489 4.815 . 0 0 "[ . 1 . 2]" 1
812 1 55 ALA MB 1 60 LEU HA . . 5.390 3.601 2.776 4.594 . 0 0 "[ . 1 . 2]" 1
813 1 55 ALA MB 1 60 LEU QD . . 3.890 2.497 1.881 3.540 . 0 0 "[ . 1 . 2]" 1
814 1 55 ALA MB 1 61 PHE H . . 4.460 4.327 3.879 4.788 0.328 20 0 "[ . 1 . 2]" 1
815 1 56 GLN H 1 56 GLN HB2 . . 4.090 3.126 2.453 3.960 . 0 0 "[ . 1 . 2]" 1
816 1 56 GLN H 1 56 GLN QB . . 3.500 2.683 2.411 3.260 . 0 0 "[ . 1 . 2]" 1
817 1 56 GLN H 1 56 GLN HB3 . . 4.090 3.092 2.621 3.649 . 0 0 "[ . 1 . 2]" 1
818 1 56 GLN H 1 59 THR H . . 3.940 3.542 3.271 3.798 . 0 0 "[ . 1 . 2]" 1
819 1 56 GLN H 1 60 LEU HA . . 4.970 3.525 3.304 3.829 . 0 0 "[ . 1 . 2]" 1
820 1 56 GLN H 1 60 LEU QD . . 5.310 3.979 3.763 4.179 . 0 0 "[ . 1 . 2]" 1
821 1 56 GLN QG 1 59 THR H . . 5.290 4.754 3.385 5.851 0.561 18 1 "[ . 1 . + 2]" 1
822 1 56 GLN QG 1 59 THR HB . . 4.240 4.066 2.183 4.745 0.505 16 1 "[ . 1 .+ 2]" 1
823 1 56 GLN QG 1 61 PHE H . . 4.560 5.870 3.611 7.108 2.548 19 16 "[** ** ** **-******+2]" 1
824 1 56 GLN QG 1 61 PHE QB . . 4.050 4.855 3.078 6.736 2.686 19 14 "[* ** ** ** ***-**+2]" 1
825 1 56 GLN QG 1 61 PHE QD . . 4.090 5.202 3.435 7.112 3.022 10 13 "[* * * * +* *-*****2]" 1
826 1 59 THR H 1 59 THR HB . . 3.220 2.855 2.629 3.115 . 0 0 "[ . 1 . 2]" 1
827 1 59 THR H 1 59 THR MG . . 4.160 3.879 3.818 3.996 . 0 0 "[ . 1 . 2]" 1
828 1 59 THR H 1 60 LEU H . . 4.500 4.366 4.247 4.458 . 0 0 "[ . 1 . 2]" 1
829 1 59 THR HA 1 60 LEU H . . 3.130 2.136 2.088 2.199 . 0 0 "[ . 1 . 2]" 1
830 1 59 THR HB 1 60 LEU H . . 4.280 3.954 3.687 4.113 . 0 0 "[ . 1 . 2]" 1
831 1 59 THR HB 1 61 PHE QD . . 4.730 4.370 3.241 6.264 1.534 3 5 "[ + . * -* . * 2]" 1
832 1 59 THR HB 1 61 PHE QE . . 4.310 5.856 3.846 8.194 3.884 3 16 "[*-+ *** ********* *]" 1
833 1 59 THR MG 1 60 LEU H . . 3.430 2.679 2.107 2.962 . 0 0 "[ . 1 . 2]" 1
834 1 59 THR MG 1 61 PHE H . . 4.290 3.949 3.617 4.202 . 0 0 "[ . 1 . 2]" 1
835 1 59 THR MG 1 61 PHE HA . . 4.630 3.780 3.652 3.857 . 0 0 "[ . 1 . 2]" 1
836 1 59 THR MG 1 61 PHE HZ . . 4.620 5.525 3.483 7.378 2.758 3 12 "[ + *-* *** **** *]" 1
837 1 59 THR MG 1 62 PHE H . . 5.500 5.543 5.373 5.660 0.160 7 0 "[ . 1 . 2]" 1
838 1 60 LEU H 1 60 LEU QB . . 3.060 2.297 2.181 2.402 . 0 0 "[ . 1 . 2]" 1
839 1 60 LEU H 1 60 LEU MD1 . . 3.910 4.109 3.981 4.189 0.279 2 0 "[ . 1 . 2]" 1
840 1 60 LEU H 1 60 LEU MD2 . . 3.910 3.832 2.908 4.111 0.201 13 0 "[ . 1 . 2]" 1
841 1 60 LEU H 1 60 LEU HG . . 4.330 4.755 4.579 4.832 0.502 13 1 "[ . 1 + . 2]" 1
842 1 60 LEU HA 1 60 LEU QD . . 3.160 1.873 1.786 2.037 . 0 0 "[ . 1 . 2]" 1
843 1 60 LEU HA 1 60 LEU HG . . 3.730 3.641 3.447 3.688 . 0 0 "[ . 1 . 2]" 1
844 1 60 LEU HA 1 61 PHE H . . 3.290 2.204 2.184 2.255 . 0 0 "[ . 1 . 2]" 1
845 1 60 LEU HA 1 61 PHE QB . . 4.360 4.167 4.113 4.290 . 0 0 "[ . 1 . 2]" 1
846 1 60 LEU HA 1 61 PHE QD . . 5.080 5.581 5.203 6.022 0.942 11 9 "[ * . * *+* -* * *]" 1
847 1 60 LEU QB 1 61 PHE H . . 4.300 3.872 3.743 3.907 . 0 0 "[ . 1 . 2]" 1
848 1 60 LEU QB 1 61 PHE QB . . 5.500 5.189 5.002 5.305 . 0 0 "[ . 1 . 2]" 1
849 1 60 LEU QB 1 62 PHE QD . . 4.280 3.502 2.999 3.807 . 0 0 "[ . 1 . 2]" 1
850 1 60 LEU QB 1 62 PHE HZ . . 4.390 5.003 4.448 5.512 1.122 13 14 "[ -******* *+**** 2]" 1
851 1 60 LEU QB 1 74 TYR QB . . 5.500 4.585 4.392 4.764 . 0 0 "[ . 1 . 2]" 1
852 1 60 LEU QD 1 61 PHE H . . 3.710 2.606 2.331 3.211 . 0 0 "[ . 1 . 2]" 1
853 1 60 LEU QD 1 61 PHE HA . . 5.440 4.072 3.940 4.731 . 0 0 "[ . 1 . 2]" 1
854 1 60 LEU QD 1 62 PHE QD . . 5.100 3.059 2.778 3.770 . 0 0 "[ . 1 . 2]" 1
855 1 60 LEU MD1 1 61 PHE H . . 4.830 2.624 2.339 3.264 . 0 0 "[ . 1 . 2]" 1
856 1 60 LEU MD2 1 61 PHE H . . 4.830 4.521 4.262 5.048 0.218 15 0 "[ . 1 . 2]" 1
857 1 60 LEU HG 1 74 TYR QB . . 4.120 4.180 3.653 4.382 0.262 15 0 "[ . 1 . 2]" 1
858 1 60 LEU HG 1 74 TYR HE2 . . 3.840 3.282 2.231 4.659 0.819 2 1 "[ + . 1 . 2]" 1
859 1 61 PHE H 1 61 PHE QB . . 3.350 2.307 2.195 2.410 . 0 0 "[ . 1 . 2]" 1
860 1 61 PHE H 1 61 PHE QD . . 4.120 4.074 3.671 4.275 0.155 11 0 "[ . 1 . 2]" 1
861 1 61 PHE H 1 62 PHE H . . 4.620 4.306 4.269 4.337 . 0 0 "[ . 1 . 2]" 1
862 1 61 PHE HA 1 61 PHE QD . . 4.410 2.426 1.644 3.016 . 0 0 "[ . 1 . 2]" 1
863 1 61 PHE HA 1 62 PHE H . . 3.450 2.128 2.116 2.142 . 0 0 "[ . 1 . 2]" 1
864 1 61 PHE HA 1 62 PHE HE1 . . 5.270 5.420 5.217 5.607 0.337 10 0 "[ . 1 . 2]" 1
865 1 62 PHE H 1 62 PHE QB . . 3.700 2.244 2.209 2.283 . 0 0 "[ . 1 . 2]" 1
866 1 62 PHE H 1 62 PHE QD . . 4.120 2.272 2.121 2.463 . 0 0 "[ . 1 . 2]" 1
867 1 62 PHE H 1 62 PHE HE1 . . 5.080 4.703 4.534 4.909 . 0 0 "[ . 1 . 2]" 1
868 1 62 PHE H 1 63 ARG H . . 4.200 4.545 4.432 4.605 0.405 13 0 "[ . 1 . 2]" 1
869 1 62 PHE H 1 63 ARG HA . . 5.240 5.231 4.889 5.504 0.264 10 0 "[ . 1 . 2]" 1
870 1 62 PHE HA 1 62 PHE HE1 . . 5.230 4.730 4.613 4.801 . 0 0 "[ . 1 . 2]" 1
871 1 62 PHE HA 1 63 ARG H . . 3.550 2.189 2.122 2.249 . 0 0 "[ . 1 . 2]" 1
872 1 62 PHE QB 1 63 ARG H . . 4.240 3.018 2.873 3.346 . 0 0 "[ . 1 . 2]" 1
873 1 62 PHE QB 1 66 ILE H . . 5.030 5.178 4.999 5.337 0.307 10 0 "[ . 1 . 2]" 1
874 1 62 PHE QD 1 66 ILE MD . . 4.270 3.493 3.198 3.854 . 0 0 "[ . 1 . 2]" 1
875 1 62 PHE HE1 1 66 ILE MD . . 4.960 4.982 4.808 5.186 0.226 3 0 "[ . 1 . 2]" 1
876 1 62 PHE HZ 1 66 ILE MD . . 4.450 3.340 3.165 3.499 . 0 0 "[ . 1 . 2]" 1
877 1 62 PHE HZ 1 66 ILE MG . . 5.470 6.191 6.003 6.301 0.831 5 20 [****+*******-*******] 1
878 1 63 ARG H 1 63 ARG QB . . 3.670 2.235 2.086 2.821 . 0 0 "[ . 1 . 2]" 1
879 1 63 ARG H 1 63 ARG QD . . 4.650 4.140 2.467 4.938 0.288 6 0 "[ . 1 . 2]" 1
880 1 63 ARG H 1 63 ARG HG2 . . 4.530 3.604 3.007 4.394 . 0 0 "[ . 1 . 2]" 1
881 1 63 ARG H 1 63 ARG QG . . 3.870 3.199 1.741 3.887 0.017 18 0 "[ . 1 . 2]" 1
882 1 63 ARG H 1 63 ARG HG3 . . 4.530 3.890 1.747 4.710 0.180 4 0 "[ . 1 . 2]" 1
883 1 63 ARG H 1 64 GLY H . . 4.750 2.780 2.416 3.394 . 0 0 "[ . 1 . 2]" 1
884 1 63 ARG HA 1 63 ARG QG . . 3.640 2.588 2.033 3.395 . 0 0 "[ . 1 . 2]" 1
885 1 63 ARG QB 1 64 GLY H . . 4.600 3.481 2.570 3.937 . 0 0 "[ . 1 . 2]" 1
886 1 63 ARG QD 1 64 GLY H . . 5.240 4.384 2.260 4.914 . 0 0 "[ . 1 . 2]" 1
887 1 63 ARG QG 1 64 GLY H . . 4.590 4.481 3.201 4.936 0.346 4 0 "[ . 1 . 2]" 1
888 1 63 ARG HG2 1 64 GLY H . . 5.320 4.965 4.430 5.559 0.239 4 0 "[ . 1 . 2]" 1
889 1 63 ARG HG3 1 64 GLY H . . 5.320 5.309 3.284 5.983 0.663 17 6 "[ ** *1 *-. + 2]" 1
890 1 64 GLY H 1 65 PRO HD3 . . 5.070 4.515 4.300 4.959 . 0 0 "[ . 1 . 2]" 1
891 1 64 GLY QA 1 65 PRO HD3 . . 2.860 1.967 1.800 2.436 . 0 0 "[ . 1 . 2]" 1
892 1 64 GLY QA 1 65 PRO QG . . 3.840 3.526 3.403 3.730 . 0 0 "[ . 1 . 2]" 1
893 1 64 GLY HA2 1 65 PRO HD3 . . 3.280 2.827 2.331 3.239 . 0 0 "[ . 1 . 2]" 1
894 1 64 GLY HA2 1 65 PRO HG2 . . 5.020 5.305 4.874 5.742 0.722 10 4 "[ - . + . **]" 1
895 1 64 GLY HA2 1 65 PRO HG3 . . 5.020 4.500 4.002 5.432 0.412 15 0 "[ . 1 . 2]" 1
896 1 64 GLY HA3 1 65 PRO HD3 . . 3.280 2.042 1.810 2.544 . 0 0 "[ . 1 . 2]" 1
897 1 64 GLY HA3 1 65 PRO HG2 . . 5.020 4.433 4.166 4.710 . 0 0 "[ . 1 . 2]" 1
898 1 64 GLY HA3 1 65 PRO HG3 . . 5.020 4.162 3.937 4.450 . 0 0 "[ . 1 . 2]" 1
899 1 65 PRO QB 1 66 ILE H . . 4.080 2.938 2.757 3.047 . 0 0 "[ . 1 . 2]" 1
900 1 66 ILE H 1 66 ILE HB . . 3.850 2.329 2.255 2.381 . 0 0 "[ . 1 . 2]" 1
901 1 66 ILE H 1 66 ILE MD . . 4.170 4.367 4.252 4.457 0.287 15 0 "[ . 1 . 2]" 1
902 1 66 ILE H 1 66 ILE QG . . 3.760 3.834 3.727 3.884 0.124 8 0 "[ . 1 . 2]" 1
903 1 66 ILE H 1 66 ILE MG . . 4.050 2.796 2.693 2.950 . 0 0 "[ . 1 . 2]" 1
904 1 66 ILE H 1 67 THR H . . 4.720 4.545 4.505 4.595 . 0 0 "[ . 1 . 2]" 1
905 1 66 ILE H 1 67 THR HA . . 5.330 5.337 5.256 5.437 0.107 17 0 "[ . 1 . 2]" 1
906 1 66 ILE HA 1 66 ILE MD . . 4.040 3.671 3.619 3.701 . 0 0 "[ . 1 . 2]" 1
907 1 66 ILE HA 1 66 ILE MG . . 3.400 3.149 3.119 3.172 . 0 0 "[ . 1 . 2]" 1
908 1 66 ILE HA 1 67 THR H . . 3.200 2.151 2.100 2.250 . 0 0 "[ . 1 . 2]" 1
909 1 66 ILE HA 1 70 LEU QD . . 5.370 2.123 1.799 2.447 . 0 0 "[ . 1 . 2]" 1
910 1 66 ILE HB 1 66 ILE MD . . 3.330 2.388 2.210 2.528 . 0 0 "[ . 1 . 2]" 1
911 1 66 ILE HB 1 67 THR H . . 3.500 4.300 4.196 4.389 0.889 13 20 [******-*****+*******] 1
912 1 66 ILE HB 1 68 TYR HA . . 5.500 7.838 7.700 8.018 2.518 19 20 [*********-********+*] 1
913 1 66 ILE MD 1 66 ILE MG . . 2.700 1.980 1.788 2.201 . 0 0 "[ . 1 . 2]" 1
914 1 66 ILE QG 1 66 ILE MG . . 3.240 2.334 2.266 2.408 . 0 0 "[ . 1 . 2]" 1
915 1 66 ILE MG 1 67 THR H . . 3.430 3.280 2.998 3.476 0.046 15 0 "[ . 1 . 2]" 1
916 1 66 ILE MG 1 68 TYR HA . . 5.500 4.752 4.608 4.919 . 0 0 "[ . 1 . 2]" 1
917 1 66 ILE MG 1 70 LEU H . . 4.290 5.057 4.969 5.133 0.843 5 20 [****+************-**] 1
918 1 66 ILE MG 1 70 LEU QB . . 3.480 3.734 3.645 3.874 0.394 14 0 "[ . 1 . 2]" 1
919 1 66 ILE MG 1 71 ALA H . . 5.500 5.518 5.432 5.561 0.061 16 0 "[ . 1 . 2]" 1
920 1 67 THR H 1 67 THR HB . . 3.020 3.204 3.085 3.282 0.262 1 0 "[ . 1 . 2]" 1
921 1 67 THR H 1 68 TYR H . . 4.800 4.468 4.431 4.515 . 0 0 "[ . 1 . 2]" 1
922 1 67 THR H 1 68 TYR HA . . 5.500 5.206 5.048 5.315 . 0 0 "[ . 1 . 2]" 1
923 1 67 THR H 1 70 LEU H . . 4.390 3.601 3.409 3.702 . 0 0 "[ . 1 . 2]" 1
924 1 67 THR H 1 70 LEU HA . . 5.500 4.927 4.747 5.049 . 0 0 "[ . 1 . 2]" 1
925 1 67 THR HA 1 68 TYR H . . 3.420 2.509 2.462 2.565 . 0 0 "[ . 1 . 2]" 1
926 1 67 THR HB 1 68 TYR H . . 3.910 2.728 2.480 2.921 . 0 0 "[ . 1 . 2]" 1
927 1 67 THR HB 1 70 LEU H . . 3.770 3.393 3.119 3.559 . 0 0 "[ . 1 . 2]" 1
928 1 67 THR HB 1 70 LEU QB . . 4.030 3.611 3.294 3.865 . 0 0 "[ . 1 . 2]" 1
929 1 68 TYR H 1 68 TYR HB2 . . 3.910 2.219 2.099 2.458 . 0 0 "[ . 1 . 2]" 1
930 1 68 TYR H 1 68 TYR HB3 . . 3.910 3.483 3.273 3.593 . 0 0 "[ . 1 . 2]" 1
931 1 68 TYR H 1 93 ILE MG . . 4.590 3.703 3.465 3.887 . 0 0 "[ . 1 . 2]" 1
932 1 68 TYR HA 1 68 TYR QD . . 3.310 2.651 1.894 2.984 . 0 0 "[ . 1 . 2]" 1
933 1 68 TYR HA 1 70 LEU H . . 4.140 3.524 3.380 3.623 . 0 0 "[ . 1 . 2]" 1
934 1 68 TYR HA 1 71 ALA MB . . 3.970 2.981 2.525 3.354 . 0 0 "[ . 1 . 2]" 1
935 1 68 TYR HA 1 93 ILE HB . . 4.230 3.270 2.952 3.639 . 0 0 "[ . 1 . 2]" 1
936 1 68 TYR HA 1 93 ILE MD . . 4.280 3.395 3.235 3.508 . 0 0 "[ . 1 . 2]" 1
937 1 68 TYR HA 1 93 ILE HG12 . . 4.520 2.712 2.272 3.083 . 0 0 "[ . 1 . 2]" 1
938 1 68 TYR HA 1 93 ILE QG . . 3.710 1.772 1.755 1.787 . 0 0 "[ . 1 . 2]" 1
939 1 68 TYR HA 1 93 ILE HG13 . . 4.520 1.800 1.778 1.843 . 0 0 "[ . 1 . 2]" 1
940 1 68 TYR HA 1 93 ILE MG . . 3.130 3.291 2.954 3.535 0.405 15 0 "[ . 1 . 2]" 1
941 1 68 TYR QB 1 68 TYR QD . . 3.110 2.147 2.135 2.243 . 0 0 "[ . 1 . 2]" 1
942 1 68 TYR QB 1 71 ALA MB . . 5.340 4.168 3.808 4.519 . 0 0 "[ . 1 . 2]" 1
943 1 68 TYR QB 1 93 ILE HB . . 4.750 4.575 4.310 4.843 0.093 19 0 "[ . 1 . 2]" 1
944 1 68 TYR QB 1 93 ILE MD . . 5.340 5.021 4.869 5.117 . 0 0 "[ . 1 . 2]" 1
945 1 68 TYR QB 1 93 ILE MG . . 4.190 4.299 3.786 4.467 0.277 9 0 "[ . 1 . 2]" 1
946 1 68 TYR HB2 1 93 ILE MG . . 4.840 4.655 3.970 5.014 0.174 12 0 "[ . 1 . 2]" 1
947 1 68 TYR HB3 1 93 ILE MG . . 4.840 5.087 4.777 5.420 0.580 4 2 "[ +. 1- . 2]" 1
948 1 68 TYR QD 1 93 ILE HB . . 3.740 3.117 2.031 3.606 . 0 0 "[ . 1 . 2]" 1
949 1 68 TYR QD 1 93 ILE MD . . 4.680 4.598 3.956 4.918 0.238 7 0 "[ . 1 . 2]" 1
950 1 68 TYR QD 1 93 ILE MG . . 3.560 3.334 2.173 3.782 0.222 8 0 "[ . 1 . 2]" 1
951 1 68 TYR QE 1 93 ILE HB . . 4.160 2.997 2.552 3.405 . 0 0 "[ . 1 . 2]" 1
952 1 68 TYR QE 1 93 ILE MG . . 4.050 3.325 2.281 3.746 . 0 0 "[ . 1 . 2]" 1
953 1 70 LEU H 1 70 LEU HB2 . . 3.310 2.228 2.171 2.326 . 0 0 "[ . 1 . 2]" 1
954 1 70 LEU H 1 70 LEU QB . . 2.900 2.193 2.147 2.271 . 0 0 "[ . 1 . 2]" 1
955 1 70 LEU H 1 70 LEU HB3 . . 3.310 3.290 3.173 3.425 0.115 14 0 "[ . 1 . 2]" 1
956 1 70 LEU H 1 71 ALA H . . 3.660 2.212 2.079 2.309 . 0 0 "[ . 1 . 2]" 1
957 1 70 LEU H 1 71 ALA HA . . 4.510 4.680 4.574 4.787 0.277 10 0 "[ . 1 . 2]" 1
958 1 70 LEU H 1 71 ALA MB . . 3.760 3.729 3.583 3.840 0.080 4 0 "[ . 1 . 2]" 1
959 1 70 LEU HA 1 70 LEU QD . . 3.340 1.794 1.770 1.821 . 0 0 "[ . 1 . 2]" 1
960 1 70 LEU QD 1 74 TYR HE1 . . 4.760 4.871 4.446 5.310 0.550 3 2 "[ + . - 1 . 2]" 1
961 1 71 ALA H 1 71 ALA MB . . 3.210 2.155 2.042 2.250 . 0 0 "[ . 1 . 2]" 1
962 1 71 ALA H 1 72 GLY H . . 4.600 4.592 4.516 4.630 0.030 16 0 "[ . 1 . 2]" 1
963 1 71 ALA H 1 91 VAL QG . . 5.410 3.830 3.515 3.975 . 0 0 "[ . 1 . 2]" 1
964 1 71 ALA H 1 93 ILE MD . . 4.920 3.459 3.266 3.670 . 0 0 "[ . 1 . 2]" 1
965 1 71 ALA H 1 93 ILE QG . . 5.340 3.465 3.289 3.619 . 0 0 "[ . 1 . 2]" 1
966 1 71 ALA H 1 93 ILE MG . . 5.500 5.493 5.366 5.600 0.100 14 0 "[ . 1 . 2]" 1
967 1 71 ALA HA 1 72 GLY H . . 3.480 2.262 2.148 2.410 . 0 0 "[ . 1 . 2]" 1
968 1 71 ALA HA 1 91 VAL H . . 5.500 4.338 4.111 4.507 . 0 0 "[ . 1 . 2]" 1
969 1 71 ALA HA 1 91 VAL QG . . 3.360 1.837 1.761 2.082 . 0 0 "[ . 1 . 2]" 1
970 1 71 ALA HA 1 92 ASN HA . . 5.500 3.943 3.499 4.332 . 0 0 "[ . 1 . 2]" 1
971 1 71 ALA HA 1 93 ILE H . . 5.500 4.829 4.734 4.894 . 0 0 "[ . 1 . 2]" 1
972 1 71 ALA HA 1 93 ILE MD . . 4.040 2.782 2.525 3.004 . 0 0 "[ . 1 . 2]" 1
973 1 71 ALA HA 1 93 ILE QG . . 4.220 3.682 3.458 3.842 . 0 0 "[ . 1 . 2]" 1
974 1 71 ALA MB 1 72 GLY H . . 3.690 2.834 2.448 3.148 . 0 0 "[ . 1 . 2]" 1
975 1 71 ALA MB 1 72 GLY HA2 . . 4.680 3.871 3.698 4.024 . 0 0 "[ . 1 . 2]" 1
976 1 71 ALA MB 1 72 GLY QA . . 3.810 3.592 3.437 3.732 . 0 0 "[ . 1 . 2]" 1
977 1 71 ALA MB 1 72 GLY HA3 . . 4.680 4.257 4.075 4.431 . 0 0 "[ . 1 . 2]" 1
978 1 71 ALA MB 1 91 VAL H . . 5.340 4.821 4.596 5.036 . 0 0 "[ . 1 . 2]" 1
979 1 71 ALA MB 1 91 VAL QG . . 3.830 2.792 2.550 2.962 . 0 0 "[ . 1 . 2]" 1
980 1 71 ALA MB 1 92 ASN H . . 5.400 4.542 4.351 4.976 . 0 0 "[ . 1 . 2]" 1
981 1 71 ALA MB 1 92 ASN HA . . 4.160 2.496 2.240 2.980 . 0 0 "[ . 1 . 2]" 1
982 1 71 ALA MB 1 92 ASN QB . . 5.010 4.306 3.714 4.471 . 0 0 "[ . 1 . 2]" 1
983 1 71 ALA MB 1 93 ILE H . . 3.890 2.903 2.730 3.089 . 0 0 "[ . 1 . 2]" 1
984 1 71 ALA MB 1 93 ILE HB . . 4.310 3.942 3.601 4.059 . 0 0 "[ . 1 . 2]" 1
985 1 71 ALA MB 1 93 ILE MD . . 3.620 2.456 2.136 2.613 . 0 0 "[ . 1 . 2]" 1
986 1 71 ALA MB 1 93 ILE QG . . 3.450 1.949 1.814 2.131 . 0 0 "[ . 1 . 2]" 1
987 1 71 ALA MB 1 93 ILE MG . . 4.360 4.292 4.138 4.413 0.053 17 0 "[ . 1 . 2]" 1
988 1 72 GLY H 1 90 GLU HA . . 5.500 4.362 4.105 4.625 . 0 0 "[ . 1 . 2]" 1
989 1 72 GLY H 1 91 VAL H . . 4.150 2.800 2.605 3.037 . 0 0 "[ . 1 . 2]" 1
990 1 72 GLY H 1 91 VAL MG1 . . 4.440 2.581 1.801 3.866 . 0 0 "[ . 1 . 2]" 1
991 1 72 GLY H 1 91 VAL QG . . 3.870 1.998 1.787 2.356 . 0 0 "[ . 1 . 2]" 1
992 1 72 GLY H 1 91 VAL MG2 . . 4.440 2.690 1.797 3.548 . 0 0 "[ . 1 . 2]" 1
993 1 72 GLY H 1 92 ASN HA . . 5.500 4.237 3.739 4.650 . 0 0 "[ . 1 . 2]" 1
994 1 72 GLY QA 1 73 THR H . . 3.110 2.249 2.158 2.292 . 0 0 "[ . 1 . 2]" 1
995 1 72 GLY QA 1 91 VAL H . . 5.020 3.981 3.765 4.093 . 0 0 "[ . 1 . 2]" 1
996 1 73 THR H 1 73 THR HB . . 3.300 2.873 2.757 2.951 . 0 0 "[ . 1 . 2]" 1
997 1 73 THR H 1 73 THR MG . . 4.480 3.819 3.738 3.939 . 0 0 "[ . 1 . 2]" 1
998 1 73 THR H 1 75 ILE MD . . 5.130 5.369 5.146 5.532 0.402 9 0 "[ . 1 . 2]" 1
999 1 73 THR H 1 90 GLU HA . . 5.410 4.460 4.047 4.822 . 0 0 "[ . 1 . 2]" 1
1000 1 73 THR HA 1 74 TYR H . . 3.550 2.150 2.123 2.174 . 0 0 "[ . 1 . 2]" 1
1001 1 73 THR HA 1 89 VAL H . . 4.250 4.022 3.902 4.085 . 0 0 "[ . 1 . 2]" 1
1002 1 73 THR HB 1 74 TYR H . . 4.480 4.098 3.971 4.229 . 0 0 "[ . 1 . 2]" 1
1003 1 73 THR HB 1 75 ILE MD . . 3.820 3.238 2.986 3.477 . 0 0 "[ . 1 . 2]" 1
1004 1 73 THR MG 1 74 TYR H . . 3.800 2.963 2.776 3.136 . 0 0 "[ . 1 . 2]" 1
1005 1 73 THR MG 1 74 TYR QB . . 4.580 4.605 4.357 4.744 0.164 17 0 "[ . 1 . 2]" 1
1006 1 73 THR MG 1 75 ILE MD . . 3.120 3.223 2.653 3.312 0.192 16 0 "[ . 1 . 2]" 1
1007 1 73 THR MG 1 88 GLN HA . . 3.670 3.784 3.509 3.914 0.244 16 0 "[ . 1 . 2]" 1
1008 1 73 THR MG 1 88 GLN HB2 . . 2.870 2.026 1.857 2.220 . 0 0 "[ . 1 . 2]" 1
1009 1 73 THR MG 1 88 GLN HB3 . . 3.440 3.349 3.159 3.550 0.110 14 0 "[ . 1 . 2]" 1
1010 1 73 THR MG 1 88 GLN HG2 . . 4.760 3.879 3.180 4.340 . 0 0 "[ . 1 . 2]" 1
1011 1 73 THR MG 1 88 GLN QG . . 4.170 2.817 2.273 3.421 . 0 0 "[ . 1 . 2]" 1
1012 1 73 THR MG 1 88 GLN HG3 . . 4.760 2.900 2.328 3.611 . 0 0 "[ . 1 . 2]" 1
1013 1 73 THR MG 1 89 VAL H . . 2.940 2.950 2.655 3.132 0.192 17 0 "[ . 1 . 2]" 1
1014 1 73 THR MG 1 90 GLU HA . . 4.540 2.967 2.690 3.447 . 0 0 "[ . 1 . 2]" 1
1015 1 74 TYR H 1 75 ILE H . . 4.780 4.414 4.392 4.437 . 0 0 "[ . 1 . 2]" 1
1016 1 74 TYR H 1 75 ILE MD . . 3.850 5.320 5.072 5.496 1.646 9 20 [****-***+***********] 1
1017 1 74 TYR H 1 88 GLN HA . . 4.910 4.611 4.510 4.649 . 0 0 "[ . 1 . 2]" 1
1018 1 74 TYR H 1 88 GLN HB2 . . 5.360 4.379 4.088 4.539 . 0 0 "[ . 1 . 2]" 1
1019 1 74 TYR H 1 89 VAL HB . . 5.500 5.002 4.680 5.297 . 0 0 "[ . 1 . 2]" 1
1020 1 74 TYR H 1 89 VAL QG . . 3.980 2.666 2.215 2.996 . 0 0 "[ . 1 . 2]" 1
1021 1 74 TYR H 1 90 GLU H . . 5.430 4.928 4.789 5.098 . 0 0 "[ . 1 . 2]" 1
1022 1 74 TYR H 1 90 GLU HA . . 4.420 3.351 3.022 3.798 . 0 0 "[ . 1 . 2]" 1
1023 1 74 TYR H 1 91 VAL H . . 4.860 4.128 3.908 4.502 . 0 0 "[ . 1 . 2]" 1
1024 1 74 TYR H 1 91 VAL QG . . 4.220 3.481 3.184 3.739 . 0 0 "[ . 1 . 2]" 1
1025 1 74 TYR HA 1 75 ILE H . . 3.540 2.136 2.120 2.162 . 0 0 "[ . 1 . 2]" 1
1026 1 74 TYR QB 1 74 TYR HE2 . . 4.730 4.309 4.302 4.342 . 0 0 "[ . 1 . 2]" 1
1027 1 74 TYR QB 1 75 ILE H . . 4.140 3.221 3.189 3.283 . 0 0 "[ . 1 . 2]" 1
1028 1 74 TYR QB 1 89 VAL H . . 4.640 3.487 3.393 3.586 . 0 0 "[ . 1 . 2]" 1
1029 1 74 TYR QB 1 89 VAL QG . . 4.370 2.279 1.896 2.824 . 0 0 "[ . 1 . 2]" 1
1030 1 75 ILE H 1 75 ILE HB . . 3.740 2.829 2.742 2.906 . 0 0 "[ . 1 . 2]" 1
1031 1 75 ILE H 1 75 ILE MD . . 3.850 3.339 2.995 3.589 . 0 0 "[ . 1 . 2]" 1
1032 1 75 ILE H 1 75 ILE QG . . 4.190 2.334 2.219 2.488 . 0 0 "[ . 1 . 2]" 1
1033 1 75 ILE H 1 75 ILE MG . . 4.010 3.905 3.881 3.922 . 0 0 "[ . 1 . 2]" 1
1034 1 75 ILE H 1 76 CYS H . . 4.550 4.407 4.351 4.450 . 0 0 "[ . 1 . 2]" 1
1035 1 75 ILE H 1 88 GLN HB2 . . 5.190 4.902 4.670 5.138 . 0 0 "[ . 1 . 2]" 1
1036 1 75 ILE HA 1 88 GLN H . . 4.610 4.242 4.182 4.273 . 0 0 "[ . 1 . 2]" 1
1037 1 75 ILE HA 1 89 VAL H . . 3.970 3.605 3.488 3.739 . 0 0 "[ . 1 . 2]" 1
1038 1 75 ILE HB 1 75 ILE MD . . 2.920 2.257 2.118 2.358 . 0 0 "[ . 1 . 2]" 1
1039 1 75 ILE HB 1 76 CYS H . . 4.090 3.823 3.676 3.900 . 0 0 "[ . 1 . 2]" 1
1040 1 75 ILE HB 1 77 GLU QG . . 5.040 4.056 3.731 4.604 . 0 0 "[ . 1 . 2]" 1
1041 1 75 ILE HB 1 88 GLN HB2 . . 5.430 4.925 4.583 5.130 . 0 0 "[ . 1 . 2]" 1
1042 1 75 ILE HB 1 88 GLN QG . . 5.340 6.046 5.806 6.193 0.853 10 19 "[*-*******+ *********]" 1
1043 1 75 ILE MD 1 88 GLN HA . . 4.600 4.715 4.583 4.855 0.255 2 0 "[ . 1 . 2]" 1
1044 1 75 ILE MD 1 88 GLN HB2 . . 3.550 3.753 3.505 3.952 0.402 2 0 "[ . 1 . 2]" 1
1045 1 75 ILE MD 1 88 GLN QG . . 5.340 4.619 4.234 4.917 . 0 0 "[ . 1 . 2]" 1
1046 1 75 ILE MD 1 89 VAL H . . 3.850 5.383 5.183 5.517 1.667 13 20 [****-*******+*******] 1
1047 1 75 ILE QG 1 75 ILE MG . . 2.990 2.164 1.962 2.289 . 0 0 "[ . 1 . 2]" 1
1048 1 75 ILE QG 1 88 GLN HA . . 3.930 3.101 2.933 3.276 . 0 0 "[ . 1 . 2]" 1
1049 1 75 ILE QG 1 88 GLN HB2 . . 3.490 2.214 1.922 2.417 . 0 0 "[ . 1 . 2]" 1
1050 1 75 ILE QG 1 88 GLN QG . . 3.810 3.611 3.349 3.853 0.043 12 0 "[ . 1 . 2]" 1
1051 1 75 ILE HG12 1 88 GLN HA . . 4.530 3.341 3.178 3.520 . 0 0 "[ . 1 . 2]" 1
1052 1 75 ILE HG12 1 88 GLN HB2 . . 4.180 2.275 1.967 2.601 . 0 0 "[ . 1 . 2]" 1
1053 1 75 ILE HG13 1 88 GLN HA . . 4.530 3.717 3.319 4.046 . 0 0 "[ . 1 . 2]" 1
1054 1 75 ILE HG13 1 88 GLN HB2 . . 4.180 3.144 2.706 3.592 . 0 0 "[ . 1 . 2]" 1
1055 1 75 ILE MG 1 77 GLU H . . 4.590 4.584 4.488 4.644 0.054 9 0 "[ . 1 . 2]" 1
1056 1 75 ILE MG 1 77 GLU QG . . 3.340 2.953 2.731 3.191 . 0 0 "[ . 1 . 2]" 1
1057 1 75 ILE MG 1 86 SER HA . . 4.420 3.837 3.662 3.953 . 0 0 "[ . 1 . 2]" 1
1058 1 75 ILE MG 1 86 SER QB . . 2.920 2.362 2.204 2.534 . 0 0 "[ . 1 . 2]" 1
1059 1 75 ILE MG 1 88 GLN HB2 . . 4.090 3.280 2.983 3.591 . 0 0 "[ . 1 . 2]" 1
1060 1 75 ILE MG 1 88 GLN HB3 . . 4.560 1.942 1.797 2.293 . 0 0 "[ . 1 . 2]" 1
1061 1 75 ILE MG 1 88 GLN QG . . 3.500 3.686 3.243 4.039 0.539 6 1 "[ .+ 1 . 2]" 1
1062 1 76 CYS H 1 76 CYS QB . . 3.200 2.961 2.435 3.260 0.060 12 0 "[ . 1 . 2]" 1
1063 1 76 CYS H 1 77 GLU H . . 4.650 4.385 4.340 4.415 . 0 0 "[ . 1 . 2]" 1
1064 1 76 CYS H 1 86 SER HA . . 4.550 4.330 4.224 4.444 . 0 0 "[ . 1 . 2]" 1
1065 1 76 CYS H 1 86 SER QB . . 4.380 4.061 3.720 4.254 . 0 0 "[ . 1 . 2]" 1
1066 1 76 CYS H 1 87 GLY H . . 3.630 2.597 2.472 2.696 . 0 0 "[ . 1 . 2]" 1
1067 1 76 CYS H 1 88 GLN HA . . 4.020 3.551 3.361 3.719 . 0 0 "[ . 1 . 2]" 1
1068 1 76 CYS HA 1 77 GLU H . . 3.090 2.210 2.175 2.239 . 0 0 "[ . 1 . 2]" 1
1069 1 76 CYS HA 1 77 GLU QB . . 5.310 4.614 4.453 4.783 . 0 0 "[ . 1 . 2]" 1
1070 1 76 CYS HA 1 77 GLU QG . . 5.340 3.166 2.874 3.719 . 0 0 "[ . 1 . 2]" 1
1071 1 76 CYS QB 1 77 GLU H . . 4.040 3.006 2.826 3.625 . 0 0 "[ . 1 . 2]" 1
1072 1 76 CYS QB 1 87 GLY H . . 4.120 3.906 3.240 4.328 0.208 10 0 "[ . 1 . 2]" 1
1073 1 77 GLU H 1 77 GLU QB . . 3.410 2.869 2.612 3.092 . 0 0 "[ . 1 . 2]" 1
1074 1 77 GLU H 1 77 GLU QG . . 4.380 2.323 2.017 2.774 . 0 0 "[ . 1 . 2]" 1
1075 1 77 GLU H 1 86 SER HA . . 5.070 4.387 4.351 4.441 . 0 0 "[ . 1 . 2]" 1
1076 1 77 GLU HA 1 84 THR MG . . 4.670 3.931 3.598 4.178 . 0 0 "[ . 1 . 2]" 1
1077 1 77 GLU HA 1 86 SER HA . . 4.720 1.931 1.849 2.045 . 0 0 "[ . 1 . 2]" 1
1078 1 77 GLU HA 1 87 GLY H . . 4.060 3.576 3.471 3.715 . 0 0 "[ . 1 . 2]" 1
1079 1 77 GLU QB 1 78 ALA H . . 3.470 2.900 2.798 2.976 . 0 0 "[ . 1 . 2]" 1
1080 1 77 GLU QB 1 84 THR MG . . 3.780 2.588 2.234 3.056 . 0 0 "[ . 1 . 2]" 1
1081 1 77 GLU QB 1 86 SER QB . . 4.900 2.950 2.311 3.641 . 0 0 "[ . 1 . 2]" 1
1082 1 77 GLU QG 1 86 SER HA . . 4.540 3.390 2.883 3.784 . 0 0 "[ . 1 . 2]" 1
1083 1 77 GLU QG 1 86 SER QB . . 3.280 1.930 1.787 2.729 . 0 0 "[ . 1 . 2]" 1
1084 1 77 GLU QG 1 87 GLY H . . 4.940 4.220 3.912 4.514 . 0 0 "[ . 1 . 2]" 1
1085 1 77 GLU HG2 1 86 SER QB . . 3.950 1.964 1.800 2.764 . 0 0 "[ . 1 . 2]" 1
1086 1 77 GLU HG3 1 86 SER QB . . 3.950 3.214 1.950 4.222 0.272 6 0 "[ . 1 . 2]" 1
1087 1 78 ALA H 1 78 ALA MB . . 3.360 2.492 2.425 2.576 . 0 0 "[ . 1 . 2]" 1
1088 1 78 ALA H 1 79 THR H . . 4.570 4.336 4.264 4.399 . 0 0 "[ . 1 . 2]" 1
1089 1 78 ALA H 1 84 THR MG . . 3.530 2.979 2.741 3.102 . 0 0 "[ . 1 . 2]" 1
1090 1 78 ALA H 1 85 ARG H . . 3.670 2.815 2.709 2.933 . 0 0 "[ . 1 . 2]" 1
1091 1 78 ALA H 1 86 SER HA . . 3.900 3.508 3.382 3.568 . 0 0 "[ . 1 . 2]" 1
1092 1 78 ALA H 1 86 SER QB . . 4.540 4.633 4.420 4.860 0.320 11 0 "[ . 1 . 2]" 1
1093 1 78 ALA HA 1 79 THR H . . 2.830 2.194 2.158 2.218 . 0 0 "[ . 1 . 2]" 1
1094 1 78 ALA MB 1 79 THR H . . 3.160 3.122 2.949 3.174 0.014 14 0 "[ . 1 . 2]" 1
1095 1 78 ALA MB 1 80 ASN H . . 4.680 4.746 4.487 4.939 0.259 14 0 "[ . 1 . 2]" 1
1096 1 78 ALA MB 1 85 ARG H . . 3.780 3.539 3.282 3.743 . 0 0 "[ . 1 . 2]" 1
1097 1 79 THR H 1 79 THR HB . . 3.290 2.727 2.583 2.857 . 0 0 "[ . 1 . 2]" 1
1098 1 79 THR H 1 79 THR MG . . 3.840 3.854 3.839 3.875 0.035 16 0 "[ . 1 . 2]" 1
1099 1 79 THR H 1 80 ASN H . . 4.340 4.395 4.313 4.449 0.109 8 0 "[ . 1 . 2]" 1
1100 1 79 THR HA 1 80 ASN H . . 3.350 2.116 2.097 2.135 . 0 0 "[ . 1 . 2]" 1
1101 1 79 THR HA 1 84 THR HA . . 4.220 2.500 2.249 2.770 . 0 0 "[ . 1 . 2]" 1
1102 1 79 THR HB 1 80 ASN H . . 4.090 4.041 3.944 4.132 0.042 18 0 "[ . 1 . 2]" 1
1103 1 79 THR HB 1 80 ASN HA . . 4.670 4.538 4.390 4.666 . 0 0 "[ . 1 . 2]" 1
1104 1 79 THR MG 1 80 ASN H . . 3.250 2.613 2.287 2.970 . 0 0 "[ . 1 . 2]" 1
1105 1 80 ASN H 1 80 ASN QB . . 3.380 2.514 2.456 2.570 . 0 0 "[ . 1 . 2]" 1
1106 1 80 ASN H 1 81 PRO QD . . 4.410 4.387 4.368 4.402 . 0 0 "[ . 1 . 2]" 1
1107 1 80 ASN H 1 83 GLY H . . 4.360 3.146 2.945 3.382 . 0 0 "[ . 1 . 2]" 1
1108 1 80 ASN H 1 84 THR HA . . 3.580 3.243 3.068 3.347 . 0 0 "[ . 1 . 2]" 1
1109 1 80 ASN H 1 85 ARG H . . 5.100 4.922 4.740 5.066 . 0 0 "[ . 1 . 2]" 1
1110 1 80 ASN HA 1 81 PRO QD . . 3.960 2.358 2.102 2.440 . 0 0 "[ . 1 . 2]" 1
1111 1 80 ASN HA 1 81 PRO QG . . 5.160 4.254 3.915 4.345 . 0 0 "[ . 1 . 2]" 1
1112 1 80 ASN HA 1 82 ILE H . . 4.190 4.129 4.062 4.190 . 0 0 "[ . 1 . 2]" 1
1113 1 80 ASN QB 1 81 PRO QD . . 3.630 1.967 1.766 2.264 . 0 0 "[ . 1 . 2]" 1
1114 1 80 ASN QB 1 81 PRO QG . . 4.880 3.390 3.198 3.819 . 0 0 "[ . 1 . 2]" 1
1115 1 80 ASN QB 1 82 ILE H . . 4.200 2.293 2.160 2.500 . 0 0 "[ . 1 . 2]" 1
1116 1 80 ASN QB 1 84 THR HA . . 5.080 4.438 4.196 4.637 . 0 0 "[ . 1 . 2]" 1
1117 1 81 PRO HA 1 82 ILE MD . . 4.800 4.723 4.472 4.869 0.069 1 0 "[ . 1 . 2]" 1
1118 1 81 PRO QB 1 82 ILE H . . 3.700 3.465 3.181 3.527 . 0 0 "[ . 1 . 2]" 1
1119 1 81 PRO QB 1 82 ILE MD . . 3.660 3.843 3.101 4.074 0.414 20 0 "[ . 1 . 2]" 1
1120 1 81 PRO HB2 1 82 ILE H . . 4.520 3.634 3.268 3.711 . 0 0 "[ . 1 . 2]" 1
1121 1 81 PRO HB3 1 82 ILE H . . 4.520 4.378 4.339 4.416 . 0 0 "[ . 1 . 2]" 1
1122 1 81 PRO QD 1 82 ILE H . . 3.960 2.882 2.680 2.983 . 0 0 "[ . 1 . 2]" 1
1123 1 81 PRO QD 1 83 GLY H . . 4.510 4.355 4.270 4.408 . 0 0 "[ . 1 . 2]" 1
1124 1 81 PRO QG 1 82 ILE MD . . 3.390 2.407 2.161 3.162 . 0 0 "[ . 1 . 2]" 1
1125 1 82 ILE H 1 82 ILE HB . . 3.190 2.829 2.756 2.930 . 0 0 "[ . 1 . 2]" 1
1126 1 82 ILE H 1 82 ILE MD . . 3.410 2.060 1.838 2.266 . 0 0 "[ . 1 . 2]" 1
1127 1 82 ILE H 1 82 ILE HG12 . . 4.040 3.734 3.578 3.830 . 0 0 "[ . 1 . 2]" 1
1128 1 82 ILE H 1 82 ILE HG13 . . 3.330 2.436 2.206 2.611 . 0 0 "[ . 1 . 2]" 1
1129 1 82 ILE H 1 82 ILE MG . . 3.830 3.811 3.768 3.840 0.010 9 0 "[ . 1 . 2]" 1
1130 1 82 ILE H 1 83 GLY H . . 2.850 2.179 2.090 2.242 . 0 0 "[ . 1 . 2]" 1
1131 1 82 ILE HA 1 82 ILE MD . . 2.660 3.746 3.687 3.792 1.132 6 20 [*****+********-*****] 1
1132 1 82 ILE HA 1 82 ILE HG12 . . 3.960 3.574 3.489 3.648 . 0 0 "[ . 1 . 2]" 1
1133 1 82 ILE HA 1 82 ILE HG13 . . 3.730 2.694 2.604 2.811 . 0 0 "[ . 1 . 2]" 1
1134 1 82 ILE HA 1 82 ILE MG . . 2.710 2.202 2.032 2.295 . 0 0 "[ . 1 . 2]" 1
1135 1 82 ILE HB 1 82 ILE MD . . 3.440 2.122 2.013 2.239 . 0 0 "[ . 1 . 2]" 1
1136 1 82 ILE HB 1 82 ILE HG12 . . 2.940 2.746 2.704 2.773 . 0 0 "[ . 1 . 2]" 1
1137 1 82 ILE HB 1 83 GLY H . . 3.690 3.170 3.135 3.224 . 0 0 "[ . 1 . 2]" 1
1138 1 82 ILE MD 1 82 ILE MG . . 2.400 3.046 3.000 3.095 0.695 9 20 [**-*****+***********] 1
1139 1 82 ILE HG12 1 82 ILE MG . . 2.550 2.081 1.912 2.170 . 0 0 "[ . 1 . 2]" 1
1140 1 82 ILE HG13 1 82 ILE MG . . 3.360 2.774 2.707 2.822 . 0 0 "[ . 1 . 2]" 1
1141 1 82 ILE MG 1 83 GLY HA2 . . 5.120 5.084 4.982 5.217 0.097 6 0 "[ . 1 . 2]" 1
1142 1 82 ILE MG 1 83 GLY HA3 . . 4.170 4.302 4.164 4.508 0.338 6 0 "[ . 1 . 2]" 1
1143 1 83 GLY H 1 84 THR H . . 4.430 4.402 4.372 4.424 . 0 0 "[ . 1 . 2]" 1
1144 1 83 GLY HA2 1 84 THR H . . 2.770 2.658 2.604 2.749 . 0 0 "[ . 1 . 2]" 1
1145 1 83 GLY HA2 1 84 THR HB . . 4.750 4.863 4.696 4.996 0.246 10 0 "[ . 1 . 2]" 1
1146 1 83 GLY HA3 1 84 THR H . . 2.790 2.419 2.347 2.459 . 0 0 "[ . 1 . 2]" 1
1147 1 83 GLY HA3 1 84 THR HB . . 5.350 5.156 5.065 5.263 . 0 0 "[ . 1 . 2]" 1
1148 1 84 THR H 1 84 THR HB . . 2.860 2.781 2.676 2.863 0.003 5 0 "[ . 1 . 2]" 1
1149 1 84 THR H 1 84 THR MG . . 4.160 3.912 3.869 3.934 . 0 0 "[ . 1 . 2]" 1
1150 1 84 THR H 1 85 ARG H . . 4.270 4.251 4.185 4.297 0.027 14 0 "[ . 1 . 2]" 1
1151 1 84 THR H 1 85 ARG QG . . 4.070 3.911 3.765 4.020 . 0 0 "[ . 1 . 2]" 1
1152 1 84 THR HA 1 84 THR MG . . 3.040 2.344 2.253 2.456 . 0 0 "[ . 1 . 2]" 1
1153 1 84 THR HA 1 85 ARG H . . 3.190 2.125 2.112 2.145 . 0 0 "[ . 1 . 2]" 1
1154 1 84 THR HA 1 85 ARG HB2 . . 5.290 4.525 4.313 4.750 . 0 0 "[ . 1 . 2]" 1
1155 1 84 THR HA 1 85 ARG QG . . 5.180 3.983 3.638 4.254 . 0 0 "[ . 1 . 2]" 1
1156 1 84 THR HB 1 85 ARG H . . 4.420 4.094 4.020 4.176 . 0 0 "[ . 1 . 2]" 1
1157 1 84 THR HB 1 85 ARG QG . . 5.500 5.032 4.926 5.166 . 0 0 "[ . 1 . 2]" 1
1158 1 84 THR MG 1 85 ARG H . . 3.270 2.672 2.359 2.794 . 0 0 "[ . 1 . 2]" 1
1159 1 84 THR MG 1 86 SER H . . 4.830 4.867 4.746 4.925 0.095 5 0 "[ . 1 . 2]" 1
1160 1 85 ARG H 1 85 ARG HB2 . . 3.650 2.639 2.552 2.782 . 0 0 "[ . 1 . 2]" 1
1161 1 85 ARG H 1 85 ARG HB3 . . 3.870 3.766 3.698 3.833 . 0 0 "[ . 1 . 2]" 1
1162 1 85 ARG H 1 85 ARG QD . . 4.760 4.720 4.492 4.874 0.114 6 0 "[ . 1 . 2]" 1
1163 1 85 ARG H 1 85 ARG QG . . 3.980 3.087 2.721 3.382 . 0 0 "[ . 1 . 2]" 1
1164 1 85 ARG H 1 86 SER H . . 4.500 4.427 4.400 4.445 . 0 0 "[ . 1 . 2]" 1
1165 1 85 ARG H 1 86 SER HA . . 5.110 4.831 4.797 4.861 . 0 0 "[ . 1 . 2]" 1
1166 1 85 ARG HA 1 86 SER H . . 2.880 2.371 2.281 2.477 . 0 0 "[ . 1 . 2]" 1
1167 1 85 ARG HB2 1 85 ARG QD . . 3.640 3.109 2.541 3.324 . 0 0 "[ . 1 . 2]" 1
1168 1 85 ARG HB2 1 86 SER HA . . 5.150 4.738 4.540 4.959 . 0 0 "[ . 1 . 2]" 1
1169 1 85 ARG HB3 1 85 ARG QD . . 2.920 2.066 1.901 2.264 . 0 0 "[ . 1 . 2]" 1
1170 1 85 ARG HB3 1 86 SER H . . 2.920 2.509 2.343 2.697 . 0 0 "[ . 1 . 2]" 1
1171 1 85 ARG HB3 1 86 SER HA . . 4.650 4.439 4.262 4.640 . 0 0 "[ . 1 . 2]" 1
1172 1 85 ARG QD 1 86 SER H . . 3.820 3.654 3.161 4.088 0.268 8 0 "[ . 1 . 2]" 1
1173 1 86 SER H 1 86 SER QB . . 3.690 3.069 2.892 3.186 . 0 0 "[ . 1 . 2]" 1
1174 1 86 SER H 1 87 GLY H . . 4.450 4.351 4.274 4.403 . 0 0 "[ . 1 . 2]" 1
1175 1 86 SER HA 1 87 GLY H . . 3.170 2.248 2.213 2.293 . 0 0 "[ . 1 . 2]" 1
1176 1 86 SER HA 1 87 GLY QA . . 4.400 3.924 3.912 3.941 . 0 0 "[ . 1 . 2]" 1
1177 1 86 SER QB 1 87 GLY H . . 3.510 2.938 2.827 3.045 . 0 0 "[ . 1 . 2]" 1
1178 1 87 GLY H 1 88 GLN H . . 4.600 4.364 4.296 4.392 . 0 0 "[ . 1 . 2]" 1
1179 1 87 GLY QA 1 88 GLN H . . 2.880 2.149 2.130 2.170 . 0 0 "[ . 1 . 2]" 1
1180 1 87 GLY QA 1 88 GLN HG2 . . 5.010 4.009 3.277 4.867 . 0 0 "[ . 1 . 2]" 1
1181 1 87 GLY QA 1 88 GLN HG3 . . 5.010 5.180 4.450 5.733 0.723 8 1 "[ . + 1 . 2]" 1
1182 1 88 GLN H 1 88 GLN HB3 . . 3.820 3.097 2.852 3.331 . 0 0 "[ . 1 . 2]" 1
1183 1 88 GLN H 1 88 GLN HG2 . . 3.490 2.450 2.023 3.075 . 0 0 "[ . 1 . 2]" 1
1184 1 88 GLN H 1 88 GLN QG . . 2.940 2.397 2.005 2.996 0.056 1 0 "[ . 1 . 2]" 1
1185 1 88 GLN H 1 88 GLN HG3 . . 3.490 3.584 2.766 4.192 0.702 8 5 "[* *. *+ 1 - 2]" 1
1186 1 88 GLN H 1 89 VAL H . . 4.490 4.364 4.334 4.432 . 0 0 "[ . 1 . 2]" 1
1187 1 88 GLN HA 1 88 GLN HG2 . . 4.150 3.666 3.534 3.845 . 0 0 "[ . 1 . 2]" 1
1188 1 88 GLN HA 1 88 GLN HG3 . . 4.150 3.951 3.653 4.216 0.066 1 0 "[ . 1 . 2]" 1
1189 1 88 GLN HA 1 89 VAL H . . 2.980 2.212 2.180 2.296 . 0 0 "[ . 1 . 2]" 1
1190 1 88 GLN HA 1 89 VAL HA . . 5.160 4.427 4.403 4.468 . 0 0 "[ . 1 . 2]" 1
1191 1 88 GLN HA 1 89 VAL HB . . 4.330 4.268 4.153 4.357 0.027 17 0 "[ . 1 . 2]" 1
1192 1 88 GLN HB2 1 89 VAL H . . 3.420 2.752 2.469 2.890 . 0 0 "[ . 1 . 2]" 1
1193 1 88 GLN HB3 1 89 VAL H . . 3.510 3.938 3.634 4.107 0.597 8 5 "[ *. -+ 1 *. *]" 1
1194 1 89 VAL H 1 89 VAL HB . . 3.750 3.058 2.811 3.172 . 0 0 "[ . 1 . 2]" 1
1195 1 89 VAL H 1 89 VAL QG . . 3.240 2.497 2.219 2.844 . 0 0 "[ . 1 . 2]" 1
1196 1 89 VAL H 1 90 GLU H . . 4.610 4.349 4.308 4.396 . 0 0 "[ . 1 . 2]" 1
1197 1 89 VAL HA 1 90 GLU H . . 3.130 2.291 2.258 2.324 . 0 0 "[ . 1 . 2]" 1
1198 1 89 VAL HA 1 90 GLU QB . . 4.660 4.220 3.921 4.606 . 0 0 "[ . 1 . 2]" 1
1199 1 89 VAL QG 1 90 GLU H . . 3.550 2.202 1.998 2.526 . 0 0 "[ . 1 . 2]" 1
1200 1 89 VAL QG 1 91 VAL H . . 4.120 3.767 3.605 3.930 . 0 0 "[ . 1 . 2]" 1
1201 1 90 GLU H 1 90 GLU HB2 . . 3.890 2.939 2.397 3.787 . 0 0 "[ . 1 . 2]" 1
1202 1 90 GLU H 1 90 GLU QB . . 3.110 2.596 2.346 3.113 0.003 13 0 "[ . 1 . 2]" 1
1203 1 90 GLU H 1 90 GLU HB3 . . 3.890 3.269 2.430 3.789 . 0 0 "[ . 1 . 2]" 1
1204 1 90 GLU H 1 91 VAL H . . 5.200 4.237 4.199 4.303 . 0 0 "[ . 1 . 2]" 1
1205 1 90 GLU H 1 91 VAL QG . . 4.640 4.478 4.057 4.890 0.250 6 0 "[ . 1 . 2]" 1
1206 1 90 GLU HA 1 91 VAL H . . 3.340 2.074 2.010 2.125 . 0 0 "[ . 1 . 2]" 1
1207 1 90 GLU QB 1 91 VAL H . . 3.390 3.440 3.236 3.726 0.336 4 0 "[ . 1 . 2]" 1
1208 1 91 VAL H 1 91 VAL MG1 . . 4.040 1.941 1.810 2.349 . 0 0 "[ . 1 . 2]" 1
1209 1 91 VAL H 1 91 VAL QG . . 3.420 1.904 1.804 2.121 . 0 0 "[ . 1 . 2]" 1
1210 1 91 VAL H 1 91 VAL MG2 . . 4.040 3.235 2.258 3.704 . 0 0 "[ . 1 . 2]" 1
1211 1 91 VAL H 1 92 ASN H . . 4.640 4.437 4.394 4.493 . 0 0 "[ . 1 . 2]" 1
1212 1 91 VAL HB 1 92 ASN H . . 3.430 3.570 3.085 3.926 0.496 5 0 "[ . 1 . 2]" 1
1213 1 91 VAL QG 1 92 ASN H . . 3.630 2.858 2.374 3.436 . 0 0 "[ . 1 . 2]" 1
1214 1 91 VAL QG 1 92 ASN HA . . 5.390 3.200 2.836 3.649 . 0 0 "[ . 1 . 2]" 1
1215 1 91 VAL QG 1 92 ASN QB . . 4.960 4.201 3.974 4.653 . 0 0 "[ . 1 . 2]" 1
1216 1 91 VAL QG 1 93 ILE H . . 4.550 4.107 3.847 4.420 . 0 0 "[ . 1 . 2]" 1
1217 1 91 VAL QG 1 93 ILE MD . . 2.930 2.153 1.901 2.442 . 0 0 "[ . 1 . 2]" 1
1218 1 91 VAL QG 1 93 ILE QG . . 4.270 3.589 3.301 3.871 . 0 0 "[ . 1 . 2]" 1
1219 1 91 VAL MG1 1 92 ASN H . . 4.240 4.273 4.083 4.379 0.139 17 0 "[ . 1 . 2]" 1
1220 1 91 VAL MG2 1 92 ASN H . . 4.240 2.923 2.388 3.696 . 0 0 "[ . 1 . 2]" 1
1221 1 92 ASN H 1 92 ASN QB . . 3.770 2.614 2.430 3.182 . 0 0 "[ . 1 . 2]" 1
1222 1 92 ASN H 1 93 ILE H . . 4.760 4.339 4.266 4.425 . 0 0 "[ . 1 . 2]" 1
1223 1 92 ASN H 1 93 ILE MD . . 4.770 3.931 3.744 4.123 . 0 0 "[ . 1 . 2]" 1
1224 1 92 ASN HA 1 93 ILE H . . 3.330 2.204 2.134 2.359 . 0 0 "[ . 1 . 2]" 1
1225 1 92 ASN HA 1 93 ILE MD . . 4.950 3.336 3.055 3.602 . 0 0 "[ . 1 . 2]" 1
1226 1 92 ASN QB 1 93 ILE H . . 3.670 3.232 2.869 3.556 . 0 0 "[ . 1 . 2]" 1
1227 1 92 ASN QB 1 94 THR H . . 5.500 5.233 4.909 5.579 0.079 1 0 "[ . 1 . 2]" 1
1228 1 93 ILE H 1 93 ILE HB . . 3.760 2.718 2.453 2.831 . 0 0 "[ . 1 . 2]" 1
1229 1 93 ILE H 1 93 ILE MD . . 4.190 2.939 2.822 3.012 . 0 0 "[ . 1 . 2]" 1
1230 1 93 ILE H 1 93 ILE HG12 . . 4.010 2.186 1.981 2.766 . 0 0 "[ . 1 . 2]" 1
1231 1 93 ILE H 1 93 ILE HG13 . . 4.010 3.715 3.561 4.103 0.093 2 0 "[ . 1 . 2]" 1
1232 1 93 ILE H 1 93 ILE MG . . 4.090 3.800 3.765 3.825 . 0 0 "[ . 1 . 2]" 1
1233 1 93 ILE H 1 94 THR H . . 4.730 4.466 4.361 4.522 . 0 0 "[ . 1 . 2]" 1
1234 1 93 ILE HA 1 93 ILE MD . . 4.490 2.012 1.784 2.258 . 0 0 "[ . 1 . 2]" 1
1235 1 93 ILE HA 1 94 THR H . . 3.330 2.136 2.039 2.192 . 0 0 "[ . 1 . 2]" 1
1236 1 93 ILE HB 1 93 ILE MD . . 3.390 3.220 3.182 3.230 . 0 0 "[ . 1 . 2]" 1
1237 1 93 ILE HB 1 94 THR H . . 3.990 3.938 3.760 4.261 0.271 2 0 "[ . 1 . 2]" 1
1238 1 93 ILE MD 1 93 ILE MG . . 2.560 2.182 2.004 2.453 . 0 0 "[ . 1 . 2]" 1
1239 1 93 ILE MD 1 94 THR H . . 4.520 3.775 3.294 4.048 . 0 0 "[ . 1 . 2]" 1
1240 1 93 ILE QG 1 93 ILE MG . . 2.800 2.211 2.037 2.339 . 0 0 "[ . 1 . 2]" 1
1241 1 93 ILE HG12 1 93 ILE MG . . 3.270 3.174 3.111 3.193 . 0 0 "[ . 1 . 2]" 1
1242 1 93 ILE HG13 1 93 ILE MG . . 3.270 2.257 2.065 2.406 . 0 0 "[ . 1 . 2]" 1
1243 1 93 ILE MG 1 94 THR H . . 3.310 2.409 2.014 2.769 . 0 0 "[ . 1 . 2]" 1
1244 1 93 ILE MG 1 95 HIS H . . 5.500 5.011 3.205 5.474 . 0 0 "[ . 1 . 2]" 1
1245 1 94 THR H 1 94 THR HB . . 4.150 3.167 2.259 3.599 . 0 0 "[ . 1 . 2]" 1
1246 1 94 THR H 1 94 THR MG . . 3.680 2.807 1.815 3.777 0.097 2 0 "[ . 1 . 2]" 1
1247 1 94 THR H 1 95 HIS H . . 4.700 4.298 2.481 4.636 . 0 0 "[ . 1 . 2]" 1
1248 1 94 THR HA 1 94 THR MG . . 3.390 2.407 1.926 3.207 . 0 0 "[ . 1 . 2]" 1
1249 1 94 THR HB 1 95 HIS H . . 4.380 3.629 2.745 4.127 . 0 0 "[ . 1 . 2]" 1
1250 1 94 THR MG 1 95 HIS H . . 4.410 3.104 1.780 3.862 . 0 0 "[ . 1 . 2]" 1
stop_
save_