NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425828 |
2gri   |
7019 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gri
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 1619
_Distance_constraint_stats_list.Viol_count 3844
_Distance_constraint_stats_list.Viol_total 56414.277
_Distance_constraint_stats_list.Viol_max 4.440
_Distance_constraint_stats_list.Viol_rms 0.3493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0871
_Distance_constraint_stats_list.Viol_average_violations_only 0.7338
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 355.603 4.440 10 20 [*******-*+**********]
1 4 LYS 139.907 3.287 17 20 [*-**************+***]
1 5 GLY 14.509 0.652 2 1 "[ + . 1 . 2]"
1 6 VAL 127.621 3.100 4 20 [***+***************-]
1 7 THR 99.145 1.726 1 20 [+****************-**]
1 8 PHE 47.170 1.726 1 20 [+****************-**]
1 9 GLY 50.407 3.100 4 20 [***+*-**************]
1 10 GLU 23.068 1.218 5 13 "[* *+ ** *-****** 2]"
1 11 ASP 75.341 2.250 17 20 [**********-*****+***]
1 12 THR 119.333 3.669 17 20 [*********-******+***]
1 13 VAL 127.587 2.250 17 20 [*************-**+***]
1 14 TRP 196.819 3.669 17 20 [********-*******+***]
1 15 GLU 25.043 1.029 7 18 "[******+ ***-**** ***]"
1 16 VAL 242.112 4.056 5 20 [****+******-********]
1 17 GLN 225.872 2.802 5 20 [****+***************]
1 18 GLY 13.707 0.995 17 5 "[ -* *1 *. + 2]"
1 19 TYR 257.840 4.056 5 20 [****+-**************]
1 20 LYS 36.493 1.464 17 20 [********-*******+***]
1 21 ASN 134.521 3.088 6 20 [***-*+**************]
1 22 VAL 2.176 0.644 13 2 "[ . 1 -+ . 2]"
1 23 ARG 11.456 0.660 19 6 "[* . * - ** +2]"
1 24 ILE 10.651 1.096 11 8 "[ * . * 1+**-.* *]"
1 25 THR 12.302 0.630 9 3 "[ *. +1 . - 2]"
1 26 PHE 5.003 0.252 18 0 "[ . 1 . 2]"
1 27 GLU 69.060 2.794 17 20 [****************+-**]
1 28 LEU 115.231 1.941 2 20 [*+*********-********]
1 29 ASP 32.261 1.993 19 19 "[-********* *******+*]"
1 30 GLU 29.033 2.701 13 14 "[****** ** +**-* *2]"
1 31 ARG 124.681 2.707 13 20 [************+**-****]
1 32 VAL 113.888 2.596 8 20 [*******+*******-****]
1 33 ASP 33.469 1.911 5 13 "[ ** +*** 1 * *-****]"
1 34 LYS 13.149 1.328 19 12 "[ ** *** *** *.* +-]"
1 35 VAL 20.215 0.990 1 15 "[+-**. * 1**********]"
1 36 LEU 46.067 1.634 8 20 [*******+*********-**]
1 37 ASN 34.194 1.911 5 13 "[ ** +*** 1 * *-****]"
1 38 GLU 8.173 0.990 1 4 "[+- . 1* . *2]"
1 39 LYS 35.350 1.328 19 20 [******************+*]
1 40 CYS 104.372 3.091 11 20 [**********+********-]
1 41 SER 5.223 0.363 9 0 "[ . 1 . 2]"
1 42 VAL 161.076 3.091 11 20 [*********-+*********]
1 43 TYR 28.022 1.370 6 20 [*****+*******-******]
1 44 THR 228.484 4.440 10 20 [*******-*+**********]
1 45 VAL 17.176 1.346 20 12 "[ * **** -**** .* +]"
1 46 GLU 12.432 0.892 6 3 "[ .+ 1 -* . 2]"
1 47 SER 2.120 0.361 11 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 51.588 1.657 18 20 [***********-*****+**]
1 50 GLU 48.106 1.385 3 20 [-*+*****************]
1 51 VAL 91.068 1.497 12 20 [****-******+********]
1 52 THR 1.086 0.188 13 0 "[ . 1 . 2]"
1 53 GLU 8.595 0.481 15 0 "[ . 1 . 2]"
1 54 PHE 82.240 1.657 18 20 [*****************+-*]
1 55 ALA 56.019 1.420 18 20 [****-************+**]
1 56 CYS 5.188 0.782 10 3 "[* . + . - 2]"
1 57 VAL 5.137 0.782 10 3 "[* . + . - 2]"
1 58 VAL 27.916 1.469 4 18 "[ **+**********.-****]"
1 59 ALA 4.403 0.907 11 1 "[ . 1+ . 2]"
1 60 GLU 71.012 3.026 19 20 [***************-**+*]
1 61 ALA 5.211 0.745 20 3 "[- . 1 . * +]"
1 62 VAL 11.622 2.426 5 5 "[ + 1-** . *2]"
1 63 VAL 8.840 0.871 14 7 "[ . *-* * +. * *2]"
1 64 LYS 91.000 3.026 19 20 [********-*********+*]
1 65 THR 9.953 2.426 5 5 "[ + 1-** . *2]"
1 66 LEU 72.942 2.195 19 20 [****-*************+*]
1 67 GLN 65.564 1.452 2 20 [*+***-**************]
1 68 PRO 26.609 0.920 11 20 [**********+***-*****]
1 69 VAL 81.848 2.195 19 20 [*****-************+*]
1 70 SER 4.154 0.422 20 0 "[ . 1 . 2]"
1 71 ASP 23.955 1.215 20 20 [******************-+]
1 72 LEU 3.382 0.262 10 0 "[ . 1 . 2]"
1 73 LEU 13.180 0.802 20 3 "[ * . 1 . -+]"
1 74 THR 46.715 1.797 5 20 [****+***-***********]
1 75 ASN 4.011 0.639 2 1 "[ + . 1 . 2]"
1 76 MET 75.011 2.707 13 20 [************+**-****]
1 77 GLY 4.089 0.349 19 0 "[ . 1 . 2]"
1 78 ILE 57.405 1.797 5 20 [***-+***************]
1 79 ASP 0.446 0.165 14 0 "[ . 1 . 2]"
1 80 LEU 12.084 0.744 7 12 "[ *****+* * * . * -*]"
1 81 ASP 1.044 0.309 5 0 "[ . 1 . 2]"
1 82 GLU 9.063 0.418 5 0 "[ . 1 . 2]"
1 83 TRP 66.857 2.944 15 20 [*************-+*****]
1 84 SER 10.346 0.744 7 12 "[ *****+* * * . * -*]"
1 85 VAL 0.793 0.170 13 0 "[ . 1 . 2]"
1 86 ALA 33.317 2.701 13 14 "[* **.** *1- +**** **]"
1 87 THR 45.904 3.831 4 17 "[-**+*** *1* ********]"
1 88 PHE 80.402 2.944 15 20 [**************+*-***]
1 89 TYR 5.977 1.352 20 5 "[-* * 1* . +]"
1 90 LEU 28.640 1.497 12 15 "[-* *****1*+* .*****]"
1 91 PHE 19.824 0.946 1 20 [+****************-**]
1 92 ASP 1.746 0.462 19 0 "[ . 1 . 2]"
1 93 ASP 2.005 0.376 1 0 "[ . 1 . 2]"
1 94 ALA 5.630 1.020 16 3 "[* * 1 .+ 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 5.595 0.708 5 3 "[* + 1 .- 2]"
1 97 GLU 7.189 0.741 14 5 "[ . 1 -+.** *]"
1 98 ASN 5.846 1.020 16 2 "[ * 1 .+ 2]"
1 99 PHE 9.231 0.355 14 0 "[ . 1 . 2]"
1 100 SER 5.542 0.355 14 0 "[ . 1 . 2]"
1 101 SER 0.059 0.059 15 0 "[ . 1 . 2]"
1 102 ARG 5.476 0.949 12 2 "[- . 1 + . 2]"
1 103 MET 26.371 1.328 1 15 "[+** .******** * * **]"
1 104 TYR 73.331 2.794 17 20 [****************+-**]
1 105 CYS 31.362 2.347 16 16 "[ ******-**** *+* **]"
1 106 SER 3.531 0.564 9 2 "[ . +1 . - 2]"
1 107 PHE 134.532 3.831 4 20 [***+***-************]
1 108 TYR 87.615 1.923 17 20 [*******-********+***]
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 PRO 4.513 0.443 5 0 "[ . 1 . 2]"
1 111 ASP 79.450 1.462 14 20 [*********-***+******]
1 112 GLU 67.848 1.462 14 20 [*********-***+******]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 PRO QG . . 5.500 4.017 3.895 4.069 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 PRO HA . . 5.500 4.424 4.356 4.532 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 2 PRO HD2 . . 4.590 2.649 1.980 3.789 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 2 PRO HD3 . . 5.070 3.494 3.099 4.161 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 2 PRO QG . . 5.160 3.982 3.414 4.914 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 3 ILE MD . . 4.880 3.122 2.325 3.728 . 0 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 3 ILE QG . . 3.810 2.569 2.302 2.791 . 0 0 "[ . 1 . 2]" 1
8 1 2 PRO HA 1 3 ILE QG . . 5.500 4.158 3.357 4.733 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE H 1 4 LYS QD . . 5.500 7.619 5.578 8.188 2.688 1 19 "[+*****-* ***********]" 1
10 1 3 ILE HA 1 4 LYS HB3 . . 5.500 4.909 3.886 5.606 0.106 5 0 "[ . 1 . 2]" 1
11 1 3 ILE HB 1 3 ILE MD . . 3.540 2.381 2.293 2.449 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE HB 1 4 LYS H . . 4.600 3.646 2.716 4.374 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE HB 1 4 LYS QD . . 5.020 6.538 3.834 7.324 2.304 19 18 "[******** *- ******+*]" 1
14 1 3 ILE HB 1 17 GLN H . . 5.190 7.565 6.688 7.992 2.802 5 20 [****+**********-****] 1
15 1 3 ILE HB 1 17 GLN HA . . 4.040 5.136 4.375 5.422 1.382 18 19 "[********** -*****+**]" 1
16 1 3 ILE HB 1 17 GLN QB . . 4.180 5.322 4.506 6.135 1.955 14 17 "[-***** *** **+* ****]" 1
17 1 3 ILE HB 1 44 THR MG . . 5.500 8.610 7.615 9.940 4.440 10 20 [*********+****-*****] 1
18 1 3 ILE MD 1 4 LYS QE . . 5.500 7.518 5.101 8.787 3.287 17 18 "[*****-** * *****+***]" 1
19 1 3 ILE MD 1 17 GLN HA . . 4.420 4.836 4.119 5.328 0.908 10 8 "[* * -+ ** * *]" 1
20 1 3 ILE MD 1 19 TYR QD . . 5.500 6.675 5.486 7.727 2.227 10 18 "[******* *+****-*** *]" 1
21 1 3 ILE QG 1 3 ILE MG . . 3.330 2.339 2.291 2.394 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE QG 1 4 LYS H . . 5.490 4.106 3.908 4.380 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE QG 1 17 GLN HA . . 4.250 3.963 3.842 4.024 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE QG 1 44 THR MG . . 5.500 6.900 6.002 8.139 2.639 10 20 [*******-*+**********] 1
25 1 3 ILE MG 1 4 LYS H . . 4.400 2.119 1.844 4.113 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE MG 1 4 LYS QE . . 5.320 5.120 2.398 6.201 0.881 17 6 "[ *- * * 1 . + *2]" 1
27 1 3 ILE MG 1 17 GLN HA . . 3.630 2.504 1.966 3.476 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE MG 1 19 TYR QD . . 4.080 5.094 4.078 6.610 2.530 10 19 "[*********+*****-** *]" 1
29 1 4 LYS H 1 4 LYS HB2 . . 3.570 2.869 2.059 3.866 0.296 10 0 "[ . 1 . 2]" 1
30 1 4 LYS H 1 4 LYS HB3 . . 3.820 2.871 2.184 3.803 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS H 1 4 LYS HG2 . . 5.150 3.623 2.380 4.729 . 0 0 "[ . 1 . 2]" 1
32 1 4 LYS H 1 4 LYS HG3 . . 4.430 3.823 2.229 4.505 0.075 2 0 "[ . 1 . 2]" 1
33 1 4 LYS HA 1 4 LYS QD . . 4.200 3.448 1.985 4.520 0.320 12 0 "[ . 1 . 2]" 1
34 1 4 LYS HA 1 4 LYS HG3 . . 3.780 3.400 2.629 4.223 0.443 9 0 "[ . 1 . 2]" 1
35 1 4 LYS HA 1 5 GLY H . . 3.060 2.621 2.168 3.360 0.300 12 0 "[ . 1 . 2]" 1
36 1 4 LYS HA 1 5 GLY QA . . 3.670 4.007 3.896 4.161 0.491 12 0 "[ . 1 . 2]" 1
37 1 4 LYS HB2 1 4 LYS QE . . 4.420 3.390 2.053 4.170 . 0 0 "[ . 1 . 2]" 1
38 1 4 LYS HB2 1 5 GLY H . . 4.070 3.581 1.905 4.602 0.532 2 1 "[ + . 1 . 2]" 1
39 1 4 LYS HB3 1 4 LYS QE . . 4.790 3.463 1.982 4.233 . 0 0 "[ . 1 . 2]" 1
40 1 4 LYS HB3 1 5 GLY H . . 4.100 3.355 2.004 4.374 0.274 11 0 "[ . 1 . 2]" 1
41 1 4 LYS HB3 1 6 VAL H . . 5.500 4.863 2.407 6.395 0.895 14 4 "[ .* -1 +. * 2]" 1
42 1 4 LYS QD 1 5 GLY H . . 5.130 3.113 1.929 4.514 . 0 0 "[ . 1 . 2]" 1
43 1 4 LYS QE 1 4 LYS HG2 . . 3.920 2.650 2.041 3.304 . 0 0 "[ . 1 . 2]" 1
44 1 4 LYS QE 1 4 LYS HG3 . . 3.340 2.583 2.002 3.305 . 0 0 "[ . 1 . 2]" 1
45 1 4 LYS QE 1 5 GLY H . . 5.170 4.014 1.941 5.635 0.465 10 0 "[ . 1 . 2]" 1
46 1 4 LYS HG2 1 5 GLY QA . . 5.500 4.808 3.277 5.481 . 0 0 "[ . 1 . 2]" 1
47 1 4 LYS HG3 1 5 GLY H . . 4.510 3.529 2.269 5.162 0.652 2 1 "[ + . 1 . 2]" 1
48 1 4 LYS HG3 1 5 GLY QA . . 5.260 4.467 3.090 5.658 0.398 20 0 "[ . 1 . 2]" 1
49 1 5 GLY H 1 6 VAL H . . 4.180 3.629 1.993 4.286 0.106 9 0 "[ . 1 . 2]" 1
50 1 5 GLY H 1 6 VAL QG . . 5.500 4.858 3.680 5.443 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLY QA 1 6 VAL H . . 3.080 2.369 2.173 2.859 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLY QA 1 6 VAL QG . . 3.940 3.221 2.865 3.519 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL H 1 6 VAL HB . . 3.430 3.117 2.637 3.615 0.185 19 0 "[ . 1 . 2]" 1
54 1 6 VAL H 1 6 VAL QG . . 3.610 2.413 1.932 2.714 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL H 1 7 THR H . . 4.700 3.199 1.853 4.602 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL HA 1 7 THR H . . 3.060 2.556 2.233 3.029 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL HA 1 7 THR MG . . 4.240 5.583 5.321 5.903 1.663 9 20 [****-***+***********] 1
58 1 6 VAL HB 1 7 THR H . . 4.380 4.251 3.358 4.518 0.138 18 0 "[ . 1 . 2]" 1
59 1 6 VAL HB 1 7 THR HA . . 5.500 5.092 4.460 5.813 0.313 6 0 "[ . 1 . 2]" 1
60 1 6 VAL HB 1 7 THR MG . . 5.500 5.754 4.892 6.692 1.192 18 6 "[** .* 1 -* + 2]" 1
61 1 6 VAL QG 1 7 THR H . . 4.200 3.293 1.867 3.751 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL QG 1 7 THR HA . . 4.590 3.732 3.362 4.313 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL QG 1 7 THR HB . . 4.440 5.131 3.983 5.711 1.271 3 16 "[ -+******1 ***.*****]" 1
64 1 6 VAL QG 1 7 THR MG . . 3.800 4.538 3.910 5.261 1.461 9 13 "[ *** **+1 ***.** *-]" 1
65 1 6 VAL QG 1 8 PHE H . . 5.500 5.345 4.922 5.763 0.263 16 0 "[ . 1 . 2]" 1
66 1 6 VAL QG 1 8 PHE QB . . 5.390 5.234 4.363 6.198 0.808 16 2 "[ -. 1 .+ 2]" 1
67 1 6 VAL QG 1 8 PHE QD . . 4.190 4.115 3.663 4.895 0.705 16 2 "[ -. 1 .+ 2]" 1
68 1 6 VAL QG 1 8 PHE QE . . 4.610 4.352 3.871 4.539 . 0 0 "[ . 1 . 2]" 1
69 1 6 VAL QG 1 9 GLY H . . 5.500 7.998 7.447 8.600 3.100 4 20 [***+*-**************] 1
70 1 7 THR H 1 7 THR HB . . 4.030 3.199 2.675 3.897 . 0 0 "[ . 1 . 2]" 1
71 1 7 THR H 1 7 THR MG . . 4.100 3.933 3.613 4.054 . 0 0 "[ . 1 . 2]" 1
72 1 7 THR H 1 8 PHE HA . . 5.060 5.171 4.723 5.722 0.662 11 4 "[ * . *+ . - 2]" 1
73 1 7 THR HA 1 7 THR MG . . 3.510 2.169 2.041 2.258 . 0 0 "[ . 1 . 2]" 1
74 1 7 THR HA 1 8 PHE H . . 2.930 2.331 2.190 2.510 . 0 0 "[ . 1 . 2]" 1
75 1 7 THR HA 1 8 PHE QB . . 4.890 4.261 4.110 4.477 . 0 0 "[ . 1 . 2]" 1
76 1 7 THR HA 1 8 PHE QD . . 4.640 3.087 2.921 3.247 . 0 0 "[ . 1 . 2]" 1
77 1 7 THR HA 1 8 PHE QE . . 4.850 4.424 3.731 4.713 . 0 0 "[ . 1 . 2]" 1
78 1 7 THR HA 1 10 GLU QG . . 5.500 4.257 2.872 5.121 . 0 0 "[ . 1 . 2]" 1
79 1 7 THR HB 1 8 PHE H . . 3.900 3.394 2.860 3.808 . 0 0 "[ . 1 . 2]" 1
80 1 7 THR HB 1 8 PHE HA . . 4.420 4.168 3.875 4.476 0.056 11 0 "[ . 1 . 2]" 1
81 1 7 THR HB 1 8 PHE QD . . 5.500 5.136 4.913 5.371 . 0 0 "[ . 1 . 2]" 1
82 1 7 THR HB 1 8 PHE QE . . 5.420 6.900 6.231 7.146 1.726 1 20 [+*************-*****] 1
83 1 7 THR HB 1 10 GLU QB . . 5.360 4.859 4.298 5.098 . 0 0 "[ . 1 . 2]" 1
84 1 7 THR HB 1 10 GLU QG . . 5.440 4.017 3.310 5.174 . 0 0 "[ . 1 . 2]" 1
85 1 7 THR MG 1 8 PHE H . . 3.860 2.030 1.910 2.267 . 0 0 "[ . 1 . 2]" 1
86 1 7 THR MG 1 8 PHE HA . . 5.500 3.808 3.363 4.293 . 0 0 "[ . 1 . 2]" 1
87 1 7 THR MG 1 10 GLU QB . . 5.500 3.125 2.339 4.024 . 0 0 "[ . 1 . 2]" 1
88 1 7 THR MG 1 10 GLU QG . . 5.090 2.009 1.769 2.970 . 0 0 "[ . 1 . 2]" 1
89 1 8 PHE H 1 8 PHE QB . . 3.500 3.278 3.212 3.341 . 0 0 "[ . 1 . 2]" 1
90 1 8 PHE H 1 8 PHE QD . . 3.740 3.001 2.737 3.267 . 0 0 "[ . 1 . 2]" 1
91 1 8 PHE H 1 8 PHE QE . . 4.360 4.473 4.207 4.745 0.385 6 0 "[ . 1 . 2]" 1
92 1 8 PHE HA 1 8 PHE QD . . 3.560 3.706 3.642 3.725 0.165 19 0 "[ . 1 . 2]" 1
93 1 8 PHE HA 1 9 GLY H . . 3.050 2.232 2.152 2.702 . 0 0 "[ . 1 . 2]" 1
94 1 8 PHE HA 1 9 GLY HA2 . . 4.540 4.396 4.334 4.446 . 0 0 "[ . 1 . 2]" 1
95 1 8 PHE HA 1 9 GLY HA3 . . 4.550 4.483 4.416 4.778 0.228 5 0 "[ . 1 . 2]" 1
96 1 8 PHE HA 1 10 GLU QG . . 4.980 4.618 4.242 5.264 0.284 15 0 "[ . 1 . 2]" 1
97 1 8 PHE QB 1 9 GLY H . . 4.390 2.955 1.839 3.218 . 0 0 "[ . 1 . 2]" 1
98 1 8 PHE QB 1 9 GLY HA2 . . 5.500 4.706 4.304 4.923 . 0 0 "[ . 1 . 2]" 1
99 1 8 PHE QB 1 9 GLY HA3 . . 5.440 4.177 3.790 4.304 . 0 0 "[ . 1 . 2]" 1
100 1 8 PHE QD 1 9 GLY H . . 5.150 4.000 2.997 4.532 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLY HA2 1 10 GLU H . . 3.400 2.542 2.191 2.899 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLY HA2 1 10 GLU QB . . 5.270 4.615 4.270 4.899 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLY HA2 1 10 GLU QG . . 5.240 4.996 4.744 5.103 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLY HA3 1 10 GLU QG . . 5.280 4.983 4.840 5.109 . 0 0 "[ . 1 . 2]" 1
105 1 10 GLU H 1 10 GLU QB . . 3.380 2.289 2.215 2.369 . 0 0 "[ . 1 . 2]" 1
106 1 10 GLU H 1 10 GLU QG . . 3.630 3.254 2.734 3.483 . 0 0 "[ . 1 . 2]" 1
107 1 10 GLU H 1 11 ASP H . . 3.080 2.205 1.891 2.581 . 0 0 "[ . 1 . 2]" 1
108 1 10 GLU H 1 11 ASP HA . . 5.460 4.688 4.494 5.019 . 0 0 "[ . 1 . 2]" 1
109 1 10 GLU H 1 11 ASP QB . . 5.490 4.563 4.153 4.814 . 0 0 "[ . 1 . 2]" 1
110 1 10 GLU HA 1 10 GLU QG . . 3.460 2.500 2.179 2.640 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLU HA 1 11 ASP QB . . 4.940 4.534 4.315 4.812 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLU QB 1 10 GLU QG . . 2.430 2.017 2.002 2.086 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLU QB 1 11 ASP H . . 3.990 2.628 2.220 3.113 . 0 0 "[ . 1 . 2]" 1
114 1 10 GLU QB 1 11 ASP HA . . 5.500 4.346 4.129 4.528 . 0 0 "[ . 1 . 2]" 1
115 1 10 GLU QB 1 12 THR H . . 5.400 4.097 3.553 4.541 . 0 0 "[ . 1 . 2]" 1
116 1 10 GLU QB 1 13 VAL QG . . 5.500 6.241 5.623 6.718 1.218 5 13 "[- *+ ** ******** 2]" 1
117 1 10 GLU QG 1 11 ASP H . . 3.940 4.328 4.069 4.584 0.644 5 5 "[* + 1- ** 2]" 1
118 1 11 ASP H 1 11 ASP QB . . 3.400 2.800 2.531 2.938 . 0 0 "[ . 1 . 2]" 1
119 1 11 ASP H 1 12 THR H . . 3.560 2.415 2.033 2.585 . 0 0 "[ . 1 . 2]" 1
120 1 11 ASP H 1 12 THR HA . . 5.390 4.069 3.965 4.222 . 0 0 "[ . 1 . 2]" 1
121 1 11 ASP HA 1 12 THR H . . 2.950 3.566 3.551 3.570 0.620 2 20 [*+***************-**] 1
122 1 11 ASP HA 1 12 THR HA . . 5.250 4.732 4.659 4.773 . 0 0 "[ . 1 . 2]" 1
123 1 11 ASP HA 1 12 THR HB . . 4.490 4.507 4.383 4.679 0.189 18 0 "[ . 1 . 2]" 1
124 1 11 ASP HA 1 12 THR MG . . 4.880 4.505 4.128 4.610 . 0 0 "[ . 1 . 2]" 1
125 1 11 ASP HA 1 13 VAL QG . . 5.010 6.925 6.665 7.260 2.250 17 20 [****************+-**] 1
126 1 11 ASP QB 1 12 THR H . . 4.130 2.097 1.927 2.482 . 0 0 "[ . 1 . 2]" 1
127 1 11 ASP QB 1 12 THR MG . . 5.290 2.745 2.517 3.003 . 0 0 "[ . 1 . 2]" 1
128 1 11 ASP QB 1 13 VAL QG . . 5.120 5.923 5.788 6.119 0.999 17 20 [**********-*****+***] 1
129 1 12 THR H 1 12 THR HB . . 3.470 3.515 3.440 3.687 0.217 15 0 "[ . 1 . 2]" 1
130 1 12 THR H 1 12 THR MG . . 3.510 2.600 2.393 2.746 . 0 0 "[ . 1 . 2]" 1
131 1 12 THR H 1 13 VAL QG . . 5.020 4.766 4.603 5.075 0.055 17 0 "[ . 1 . 2]" 1
132 1 12 THR HA 1 12 THR HB . . 2.930 2.471 2.379 2.512 . 0 0 "[ . 1 . 2]" 1
133 1 12 THR HA 1 12 THR MG . . 3.280 3.193 3.182 3.205 . 0 0 "[ . 1 . 2]" 1
134 1 12 THR HA 1 13 VAL H . . 3.010 2.466 2.174 2.579 . 0 0 "[ . 1 . 2]" 1
135 1 12 THR HA 1 14 TRP HD1 . . 5.500 7.460 7.046 8.091 2.591 17 20 [**-*************+***] 1
136 1 12 THR MG 1 13 VAL H . . 4.600 3.245 2.871 4.049 . 0 0 "[ . 1 . 2]" 1
137 1 12 THR MG 1 13 VAL HA . . 5.140 4.170 3.975 4.775 . 0 0 "[ . 1 . 2]" 1
138 1 12 THR MG 1 14 TRP HD1 . . 5.500 6.080 5.400 7.172 1.672 17 8 "[* . * -* * +* *]" 1
139 1 12 THR MG 1 14 TRP HE1 . . 5.500 8.207 7.565 9.169 3.669 17 20 [***********-****+***] 1
140 1 13 VAL H 1 13 VAL QG . . 3.040 2.016 1.872 2.176 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL H 1 14 TRP HA . . 5.180 6.304 6.229 6.477 1.297 17 20 [**********-*****+***] 1
142 1 13 VAL H 1 14 TRP HD1 . . 4.150 5.056 4.604 6.101 1.951 17 14 "[* ** * ** *-**+***]" 1
143 1 13 VAL HA 1 13 VAL QG . . 3.260 2.059 1.981 2.397 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL HA 1 14 TRP H . . 3.000 2.391 2.326 2.408 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL HA 1 14 TRP HA . . 4.500 4.520 4.491 4.532 0.032 11 0 "[ . 1 . 2]" 1
146 1 13 VAL HA 1 14 TRP HB2 . . 5.500 4.647 4.478 4.723 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL HA 1 14 TRP HD1 . . 4.320 4.334 3.994 5.059 0.739 17 1 "[ . 1 . + 2]" 1
148 1 13 VAL HB 1 14 TRP H . . 3.790 3.293 3.215 3.691 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL HB 1 14 TRP HA . . 4.940 4.911 4.812 5.782 0.842 17 1 "[ . 1 . + 2]" 1
150 1 13 VAL HB 1 14 TRP HD1 . . 4.850 2.512 1.991 4.731 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL QG 1 14 TRP H . . 3.750 1.887 1.870 1.980 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL QG 1 14 TRP HA . . 4.520 3.447 3.172 3.600 . 0 0 "[ . 1 . 2]" 1
153 1 13 VAL QG 1 14 TRP HB2 . . 5.500 3.621 2.432 3.818 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL QG 1 14 TRP HB3 . . 5.500 4.543 3.735 4.700 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL QG 1 14 TRP HD1 . . 5.140 1.946 1.782 2.028 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL QG 1 14 TRP HE1 . . 5.500 3.482 3.183 3.844 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL QG 1 15 GLU QG . . 4.690 5.360 5.091 5.719 1.029 7 18 "[******+ *******- ***]" 1
158 1 14 TRP H 1 14 TRP HB3 . . 3.660 4.096 4.088 4.107 0.447 7 0 "[ . 1 . 2]" 1
159 1 14 TRP H 1 14 TRP HD1 . . 3.530 3.009 2.840 3.610 0.080 17 0 "[ . 1 . 2]" 1
160 1 14 TRP H 1 15 GLU HA . . 5.180 5.242 5.178 5.255 0.075 6 0 "[ . 1 . 2]" 1
161 1 14 TRP HA 1 14 TRP HD1 . . 3.630 3.574 3.389 3.655 0.025 14 0 "[ . 1 . 2]" 1
162 1 14 TRP HA 1 14 TRP HE1 . . 5.500 5.075 4.930 5.169 . 0 0 "[ . 1 . 2]" 1
163 1 14 TRP HA 1 15 GLU H . . 3.630 3.082 3.068 3.152 . 0 0 "[ . 1 . 2]" 1
164 1 14 TRP HA 1 15 GLU HB2 . . 5.370 5.281 5.178 5.374 0.004 8 0 "[ . 1 . 2]" 1
165 1 14 TRP HA 1 15 GLU QG . . 4.840 4.820 4.647 5.016 0.176 17 0 "[ . 1 . 2]" 1
166 1 14 TRP HA 1 16 VAL H . . 5.270 4.750 4.074 5.067 . 0 0 "[ . 1 . 2]" 1
167 1 14 TRP HA 1 17 GLN H . . 5.500 4.768 4.540 4.904 . 0 0 "[ . 1 . 2]" 1
168 1 14 TRP HA 1 17 GLN QB . . 5.500 4.050 3.648 4.467 . 0 0 "[ . 1 . 2]" 1
169 1 14 TRP HA 1 17 GLN HE21 . . 4.860 3.386 1.938 4.121 . 0 0 "[ . 1 . 2]" 1
170 1 14 TRP HA 1 17 GLN HE22 . . 5.500 4.444 1.881 5.377 . 0 0 "[ . 1 . 2]" 1
171 1 14 TRP HA 1 17 GLN QG . . 5.070 4.112 2.827 4.722 . 0 0 "[ . 1 . 2]" 1
172 1 14 TRP HA 1 18 GLY H . . 5.380 4.251 4.002 4.736 . 0 0 "[ . 1 . 2]" 1
173 1 14 TRP HB2 1 14 TRP HE3 . . 4.100 3.955 3.914 4.079 . 0 0 "[ . 1 . 2]" 1
174 1 14 TRP HB2 1 15 GLU H . . 4.980 3.933 3.893 3.977 . 0 0 "[ . 1 . 2]" 1
175 1 14 TRP HB3 1 14 TRP HD1 . . 3.810 3.882 3.839 3.890 0.080 8 0 "[ . 1 . 2]" 1
176 1 14 TRP HB3 1 14 TRP HE3 . . 3.970 2.430 2.412 2.522 . 0 0 "[ . 1 . 2]" 1
177 1 14 TRP HB3 1 14 TRP HZ3 . . 5.500 4.846 4.831 4.916 . 0 0 "[ . 1 . 2]" 1
178 1 14 TRP HB3 1 15 GLU H . . 4.600 4.294 4.095 4.368 . 0 0 "[ . 1 . 2]" 1
179 1 14 TRP HB3 1 15 GLU QG . . 5.340 3.978 3.572 4.358 . 0 0 "[ . 1 . 2]" 1
180 1 14 TRP HD1 1 17 GLN HE21 . . 5.380 4.084 3.724 4.327 . 0 0 "[ . 1 . 2]" 1
181 1 14 TRP HE3 1 20 LYS HA . . 5.160 4.598 4.457 4.755 . 0 0 "[ . 1 . 2]" 1
182 1 14 TRP HE3 1 20 LYS QD . . 5.180 4.338 3.610 4.536 . 0 0 "[ . 1 . 2]" 1
183 1 14 TRP HE3 1 20 LYS QE . . 5.500 4.453 3.638 5.191 . 0 0 "[ . 1 . 2]" 1
184 1 14 TRP HH2 1 20 LYS QD . . 4.860 5.298 5.197 5.391 0.531 20 3 "[ . -1 * +]" 1
185 1 14 TRP HZ3 1 20 LYS H . . 5.500 6.786 6.674 6.964 1.464 17 20 [*********-******+***] 1
186 1 14 TRP HZ3 1 20 LYS HA . . 5.500 4.527 4.321 4.683 . 0 0 "[ . 1 . 2]" 1
187 1 14 TRP HZ3 1 20 LYS QD . . 5.200 4.580 4.042 4.719 . 0 0 "[ . 1 . 2]" 1
188 1 14 TRP HZ3 1 20 LYS HG3 . . 5.500 3.092 2.941 3.233 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLU H 1 15 GLU HB2 . . 3.990 2.650 2.590 2.787 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLU H 1 15 GLU HB3 . . 4.020 3.690 3.583 3.756 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLU H 1 15 GLU QG . . 3.970 3.575 3.407 3.752 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLU HA 1 16 VAL H . . 3.030 3.512 3.139 3.561 0.531 10 7 "[* . +*- * * *]" 1
193 1 15 GLU HB2 1 16 VAL H . . 4.590 2.869 2.657 3.883 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLU HB3 1 16 VAL H . . 4.310 3.369 2.975 4.149 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLU HB3 1 16 VAL QG . . 5.500 3.509 2.644 4.384 . 0 0 "[ . 1 . 2]" 1
196 1 16 VAL H 1 16 VAL HB . . 3.640 2.950 2.746 3.325 . 0 0 "[ . 1 . 2]" 1
197 1 16 VAL H 1 16 VAL QG . . 3.540 2.177 2.054 2.419 . 0 0 "[ . 1 . 2]" 1
198 1 16 VAL H 1 17 GLN H . . 3.910 1.930 1.780 2.135 . 0 0 "[ . 1 . 2]" 1
199 1 16 VAL H 1 17 GLN QG . . 5.490 4.928 4.053 5.346 . 0 0 "[ . 1 . 2]" 1
200 1 16 VAL H 1 19 TYR H . . 5.500 5.692 4.721 5.972 0.472 10 0 "[ . 1 . 2]" 1
201 1 16 VAL HA 1 16 VAL QG . . 2.900 2.132 1.989 2.298 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL HA 1 17 GLN H . . 3.100 3.499 3.457 3.521 0.421 11 0 "[ . 1 . 2]" 1
203 1 16 VAL HA 1 17 GLN QB . . 4.920 5.199 5.108 5.345 0.425 1 0 "[ . 1 . 2]" 1
204 1 16 VAL HA 1 17 GLN QG . . 4.640 5.929 5.274 6.225 1.585 14 20 [*************+***-**] 1
205 1 16 VAL HA 1 19 TYR QD . . 4.550 8.063 7.717 8.297 3.747 4 20 [***+***************-] 1
206 1 16 VAL HB 1 17 GLN QG . . 4.680 6.397 5.322 7.221 2.541 12 20 [-**********+********] 1
207 1 16 VAL QG 1 17 GLN H . . 3.990 2.553 1.915 3.255 . 0 0 "[ . 1 . 2]" 1
208 1 16 VAL QG 1 17 GLN QB . . 4.500 3.722 2.975 4.393 . 0 0 "[ . 1 . 2]" 1
209 1 16 VAL QG 1 17 GLN QG . . 3.810 4.831 4.179 5.470 1.660 5 17 [****+*-**1****.****2] 1
210 1 16 VAL QG 1 18 GLY H . . 5.470 4.293 3.879 4.664 . 0 0 "[ . 1 . 2]" 1
211 1 16 VAL QG 1 19 TYR QE . . 4.280 7.455 6.795 8.336 4.056 5 20 [****+-**************] 1
212 1 17 GLN H 1 17 GLN QB . . 3.920 2.171 2.120 2.189 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLN H 1 17 GLN QG . . 3.740 3.528 2.752 3.873 0.133 16 0 "[ . 1 . 2]" 1
214 1 17 GLN H 1 18 GLY H . . 3.960 2.805 2.635 2.923 . 0 0 "[ . 1 . 2]" 1
215 1 17 GLN HA 1 17 GLN QG . . 3.570 2.902 2.699 3.278 . 0 0 "[ . 1 . 2]" 1
216 1 17 GLN HA 1 19 TYR H . . 4.810 4.951 4.802 4.989 0.179 2 0 "[ . 1 . 2]" 1
217 1 17 GLN HA 1 19 TYR QD . . 5.500 4.574 4.097 5.072 . 0 0 "[ . 1 . 2]" 1
218 1 17 GLN HA 1 19 TYR QE . . 5.350 5.964 5.231 6.798 1.448 12 10 "[ **** -* 1 +**. * 2]" 1
219 1 17 GLN QB 1 17 GLN HE22 . . 4.830 3.797 3.540 4.096 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLN QB 1 18 GLY H . . 4.290 2.982 2.571 3.522 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLN QB 1 18 GLY HA3 . . 4.640 4.925 4.782 5.102 0.462 7 0 "[ . 1 . 2]" 1
222 1 17 GLN QB 1 19 TYR H . . 5.500 3.540 3.222 4.041 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLN HE22 1 18 GLY H . . 5.500 5.878 5.049 6.495 0.995 17 5 "[ -* *1 *. + 2]" 1
224 1 17 GLN QG 1 18 GLY H . . 4.380 2.733 2.233 3.173 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLN QG 1 19 TYR H . . 4.790 2.114 1.892 2.457 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLN QG 1 19 TYR QE . . 4.890 4.487 3.659 4.802 . 0 0 "[ . 1 . 2]" 1
227 1 18 GLY H 1 19 TYR H . . 3.730 2.477 2.273 2.630 . 0 0 "[ . 1 . 2]" 1
228 1 18 GLY H 1 19 TYR QB . . 5.450 4.510 4.290 4.666 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLY H 1 19 TYR QD . . 5.200 4.787 4.511 5.016 . 0 0 "[ . 1 . 2]" 1
230 1 18 GLY HA3 1 19 TYR QD . . 5.490 4.054 3.726 4.557 . 0 0 "[ . 1 . 2]" 1
231 1 19 TYR H 1 19 TYR QB . . 3.670 2.754 2.658 2.797 . 0 0 "[ . 1 . 2]" 1
232 1 19 TYR H 1 19 TYR QD . . 3.640 3.823 3.658 3.931 0.291 17 0 "[ . 1 . 2]" 1
233 1 19 TYR H 1 19 TYR QE . . 4.530 5.712 5.563 5.895 1.365 5 20 [-***+***************] 1
234 1 19 TYR H 1 20 LYS H . . 4.920 4.385 4.373 4.405 . 0 0 "[ . 1 . 2]" 1
235 1 19 TYR H 1 44 THR MG . . 4.960 5.409 5.145 5.546 0.586 11 9 "[ * .-* **+ * .* *]" 1
236 1 19 TYR HA 1 19 TYR QD . . 3.830 2.664 2.325 2.937 . 0 0 "[ . 1 . 2]" 1
237 1 19 TYR HA 1 19 TYR QE . . 4.610 4.435 4.347 4.506 . 0 0 "[ . 1 . 2]" 1
238 1 19 TYR HA 1 20 LYS H . . 3.270 2.452 2.345 2.564 . 0 0 "[ . 1 . 2]" 1
239 1 19 TYR HA 1 20 LYS HB3 . . 5.500 5.601 5.538 5.627 0.127 6 0 "[ . 1 . 2]" 1
240 1 19 TYR HA 1 20 LYS QD . . 5.500 3.006 2.850 3.283 . 0 0 "[ . 1 . 2]" 1
241 1 19 TYR HA 1 20 LYS QE . . 5.500 4.637 4.092 5.076 . 0 0 "[ . 1 . 2]" 1
242 1 19 TYR HA 1 44 THR MG . . 4.770 3.851 3.475 3.972 . 0 0 "[ . 1 . 2]" 1
243 1 19 TYR HA 1 45 VAL H . . 5.060 4.271 4.056 4.616 . 0 0 "[ . 1 . 2]" 1
244 1 19 TYR HA 1 46 GLU H . . 5.130 4.469 4.320 4.705 . 0 0 "[ . 1 . 2]" 1
245 1 19 TYR HA 1 46 GLU HA . . 5.220 2.314 2.045 2.650 . 0 0 "[ . 1 . 2]" 1
246 1 19 TYR HA 1 46 GLU HB2 . . 5.500 4.990 4.598 5.293 . 0 0 "[ . 1 . 2]" 1
247 1 19 TYR HA 1 47 SER H . . 4.730 3.873 2.938 4.145 . 0 0 "[ . 1 . 2]" 1
248 1 19 TYR QB 1 20 LYS H . . 4.020 2.328 2.064 2.541 . 0 0 "[ . 1 . 2]" 1
249 1 19 TYR QB 1 44 THR MG . . 3.920 2.205 1.953 2.355 . 0 0 "[ . 1 . 2]" 1
250 1 19 TYR QB 1 45 VAL HB . . 5.500 6.214 5.378 6.846 1.346 20 12 "[ * **** *-*** .* +]" 1
251 1 19 TYR QD 1 20 LYS H . . 4.120 3.048 2.693 3.336 . 0 0 "[ . 1 . 2]" 1
252 1 19 TYR QD 1 44 THR HB . . 5.150 3.574 2.653 5.004 . 0 0 "[ . 1 . 2]" 1
253 1 19 TYR QD 1 44 THR MG . . 3.570 2.361 1.903 2.744 . 0 0 "[ . 1 . 2]" 1
254 1 19 TYR QD 1 45 VAL HB . . 5.500 5.430 4.739 6.174 0.674 20 3 "[ . -1 .* +]" 1
255 1 19 TYR QD 1 45 VAL QG . . 5.500 4.203 3.660 4.675 . 0 0 "[ . 1 . 2]" 1
256 1 19 TYR QD 1 46 GLU H . . 5.140 3.426 3.112 3.845 . 0 0 "[ . 1 . 2]" 1
257 1 19 TYR QD 1 46 GLU HA . . 4.310 2.528 1.999 3.130 . 0 0 "[ . 1 . 2]" 1
258 1 19 TYR QD 1 46 GLU QG . . 4.610 3.340 2.815 4.483 . 0 0 "[ . 1 . 2]" 1
259 1 19 TYR QE 1 44 THR MG . . 4.120 3.811 3.304 4.027 . 0 0 "[ . 1 . 2]" 1
260 1 19 TYR QE 1 46 GLU HA . . 4.560 3.281 2.926 3.802 . 0 0 "[ . 1 . 2]" 1
261 1 19 TYR QE 1 46 GLU HB2 . . 5.010 3.377 2.531 4.451 . 0 0 "[ . 1 . 2]" 1
262 1 19 TYR QE 1 46 GLU HB3 . . 4.240 4.282 2.403 4.916 0.676 6 2 "[ .+ 1 - . 2]" 1
263 1 19 TYR QE 1 46 GLU QG . . 3.910 2.584 1.873 3.836 . 0 0 "[ . 1 . 2]" 1
264 1 20 LYS H 1 20 LYS QD . . 5.500 3.036 2.687 3.477 . 0 0 "[ . 1 . 2]" 1
265 1 20 LYS H 1 20 LYS HG2 . . 5.500 4.788 4.633 4.986 . 0 0 "[ . 1 . 2]" 1
266 1 20 LYS H 1 20 LYS HG3 . . 5.260 4.128 4.049 4.237 . 0 0 "[ . 1 . 2]" 1
267 1 20 LYS H 1 44 THR HA . . 4.670 3.950 3.680 4.235 . 0 0 "[ . 1 . 2]" 1
268 1 20 LYS H 1 45 VAL H . . 4.210 2.384 2.244 2.774 . 0 0 "[ . 1 . 2]" 1
269 1 20 LYS H 1 45 VAL HA . . 5.500 4.547 4.398 4.757 . 0 0 "[ . 1 . 2]" 1
270 1 20 LYS H 1 45 VAL HB . . 5.500 4.535 3.422 5.385 . 0 0 "[ . 1 . 2]" 1
271 1 20 LYS H 1 45 VAL QG . . 5.500 3.171 2.325 4.158 . 0 0 "[ . 1 . 2]" 1
272 1 20 LYS H 1 46 GLU HA . . 4.820 4.011 3.534 4.273 . 0 0 "[ . 1 . 2]" 1
273 1 20 LYS HA 1 21 ASN H . . 3.610 2.614 2.404 2.657 . 0 0 "[ . 1 . 2]" 1
274 1 20 LYS HB2 1 21 ASN H . . 5.310 3.413 3.304 3.882 . 0 0 "[ . 1 . 2]" 1
275 1 20 LYS HB3 1 21 ASN H . . 5.300 2.004 1.913 2.501 . 0 0 "[ . 1 . 2]" 1
276 1 20 LYS HB3 1 45 VAL H . . 5.500 4.400 3.827 4.878 . 0 0 "[ . 1 . 2]" 1
277 1 20 LYS HB3 1 45 VAL QG . . 5.500 3.210 2.341 3.906 . 0 0 "[ . 1 . 2]" 1
278 1 20 LYS QD 1 21 ASN H . . 5.500 4.713 4.666 4.927 . 0 0 "[ . 1 . 2]" 1
279 1 20 LYS QD 1 45 VAL QG . . 5.500 2.948 2.333 3.516 . 0 0 "[ . 1 . 2]" 1
280 1 20 LYS QD 1 47 SER H . . 5.500 4.691 4.024 4.948 . 0 0 "[ . 1 . 2]" 1
281 1 20 LYS QE 1 45 VAL QG . . 5.500 3.400 2.369 4.264 . 0 0 "[ . 1 . 2]" 1
282 1 20 LYS QE 1 47 SER H . . 5.500 5.023 3.878 5.320 . 0 0 "[ . 1 . 2]" 1
283 1 20 LYS QE 1 47 SER HA . . 5.500 2.865 2.320 3.476 . 0 0 "[ . 1 . 2]" 1
284 1 20 LYS QE 1 47 SER QB . . 5.410 4.187 3.093 5.021 . 0 0 "[ . 1 . 2]" 1
285 1 20 LYS QE 1 99 PHE QR . . 5.500 3.480 2.575 4.404 . 0 0 "[ . 1 . 2]" 1
286 1 20 LYS HG2 1 21 ASN H . . 5.500 4.000 3.817 4.194 . 0 0 "[ . 1 . 2]" 1
287 1 20 LYS HG2 1 99 PHE QR . . 4.870 4.559 3.017 4.794 . 0 0 "[ . 1 . 2]" 1
288 1 20 LYS HG3 1 21 ASN H . . 5.400 3.740 3.511 3.874 . 0 0 "[ . 1 . 2]" 1
289 1 20 LYS HG3 1 45 VAL QG . . 5.500 4.524 4.083 5.038 . 0 0 "[ . 1 . 2]" 1
290 1 21 ASN H 1 21 ASN QB . . 3.920 2.699 2.544 2.851 . 0 0 "[ . 1 . 2]" 1
291 1 21 ASN H 1 21 ASN QD . . 5.500 2.721 2.438 3.378 . 0 0 "[ . 1 . 2]" 1
292 1 21 ASN H 1 22 VAL H . . 5.500 4.072 3.703 4.373 . 0 0 "[ . 1 . 2]" 1
293 1 21 ASN HA 1 22 VAL H . . 3.220 2.157 2.140 2.231 . 0 0 "[ . 1 . 2]" 1
294 1 21 ASN HA 1 22 VAL QG . . 5.250 3.709 3.571 3.896 . 0 0 "[ . 1 . 2]" 1
295 1 21 ASN HA 1 42 VAL QG . . 4.770 3.699 3.232 4.202 . 0 0 "[ . 1 . 2]" 1
296 1 21 ASN HA 1 44 THR H . . 5.430 5.168 4.896 5.235 . 0 0 "[ . 1 . 2]" 1
297 1 21 ASN HA 1 44 THR HA . . 5.270 2.860 2.700 3.168 . 0 0 "[ . 1 . 2]" 1
298 1 21 ASN HA 1 44 THR HB . . 5.500 5.731 5.259 6.089 0.589 4 1 "[ +. 1 . 2]" 1
299 1 21 ASN HA 1 44 THR MG . . 5.190 3.681 3.196 4.110 . 0 0 "[ . 1 . 2]" 1
300 1 21 ASN HA 1 45 VAL H . . 4.770 3.891 3.652 4.229 . 0 0 "[ . 1 . 2]" 1
301 1 21 ASN QB 1 22 VAL H . . 4.140 3.429 3.174 3.717 . 0 0 "[ . 1 . 2]" 1
302 1 21 ASN QB 1 22 VAL QG . . 4.990 4.478 4.061 4.682 . 0 0 "[ . 1 . 2]" 1
303 1 21 ASN QB 1 42 VAL QG . . 5.070 2.965 2.555 3.433 . 0 0 "[ . 1 . 2]" 1
304 1 21 ASN QB 1 44 THR HA . . 5.500 4.700 4.333 4.889 . 0 0 "[ . 1 . 2]" 1
305 1 21 ASN QB 1 44 THR HB . . 5.350 7.088 6.458 7.393 2.043 4 20 [***+*-**************] 1
306 1 21 ASN QD 1 42 VAL HA . . 5.500 8.029 7.621 8.588 3.088 6 20 [*****+**-***********] 1
307 1 21 ASN QD 1 42 VAL QG . . 3.940 4.946 4.515 5.447 1.507 6 20 [***-*+**************] 1
308 1 21 ASN QD 1 44 THR HB . . 5.500 6.710 6.233 7.543 2.043 2 20 [*+*****-************] 1
309 1 21 ASN QD 1 44 THR MG . . 5.500 3.840 3.384 4.473 . 0 0 "[ . 1 . 2]" 1
310 1 22 VAL H 1 22 VAL HB . . 3.910 2.993 2.637 3.363 . 0 0 "[ . 1 . 2]" 1
311 1 22 VAL H 1 22 VAL QG . . 4.040 2.237 1.916 2.967 . 0 0 "[ . 1 . 2]" 1
312 1 22 VAL H 1 23 ARG H . . 5.160 4.397 4.178 4.520 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL H 1 42 VAL HA . . 5.230 4.742 4.339 5.035 . 0 0 "[ . 1 . 2]" 1
314 1 22 VAL H 1 42 VAL QG . . 5.500 3.601 3.085 3.987 . 0 0 "[ . 1 . 2]" 1
315 1 22 VAL H 1 44 THR HA . . 4.450 3.676 3.265 4.194 . 0 0 "[ . 1 . 2]" 1
316 1 22 VAL H 1 45 VAL H . . 4.820 4.586 4.166 4.674 . 0 0 "[ . 1 . 2]" 1
317 1 22 VAL HA 1 23 ARG H . . 3.120 2.212 2.141 2.302 . 0 0 "[ . 1 . 2]" 1
318 1 22 VAL HB 1 24 ILE MD . . 5.500 4.934 3.733 6.144 0.644 13 1 "[ . 1 + . 2]" 1
319 1 22 VAL HB 1 45 VAL QG . . 4.540 3.059 2.532 3.671 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL QG 1 23 ARG H . . 4.190 2.211 1.903 2.647 . 0 0 "[ . 1 . 2]" 1
321 1 22 VAL QG 1 24 ILE MD . . 4.780 2.530 2.063 3.333 . 0 0 "[ . 1 . 2]" 1
322 1 22 VAL QG 1 43 TYR H . . 5.500 3.466 2.685 4.577 . 0 0 "[ . 1 . 2]" 1
323 1 22 VAL QG 1 43 TYR QB . . 5.170 2.960 1.920 4.242 . 0 0 "[ . 1 . 2]" 1
324 1 22 VAL QG 1 45 VAL H . . 5.500 4.274 3.907 4.649 . 0 0 "[ . 1 . 2]" 1
325 1 22 VAL QG 1 45 VAL QG . . 4.160 2.154 1.802 2.593 . 0 0 "[ . 1 . 2]" 1
326 1 22 VAL QG 1 100 SER H . . 5.310 4.052 3.651 4.571 . 0 0 "[ . 1 . 2]" 1
327 1 22 VAL QG 1 102 ARG H . . 5.500 3.917 3.275 4.893 . 0 0 "[ . 1 . 2]" 1
328 1 22 VAL QG 1 102 ARG HA . . 5.500 2.725 2.129 4.175 . 0 0 "[ . 1 . 2]" 1
329 1 22 VAL QG 1 103 MET H . . 5.220 2.884 2.109 3.602 . 0 0 "[ . 1 . 2]" 1
330 1 22 VAL QG 1 103 MET HA . . 4.250 4.025 3.552 4.851 0.601 12 1 "[ . 1 + . 2]" 1
331 1 23 ARG H 1 23 ARG HB2 . . 3.960 2.495 2.200 3.164 . 0 0 "[ . 1 . 2]" 1
332 1 23 ARG H 1 23 ARG HB3 . . 3.750 3.287 2.605 3.631 . 0 0 "[ . 1 . 2]" 1
333 1 23 ARG H 1 23 ARG HD2 . . 5.200 4.956 3.454 5.714 0.514 14 1 "[ . 1 +. 2]" 1
334 1 23 ARG H 1 23 ARG HD3 . . 5.230 4.806 2.534 5.890 0.660 19 5 "[* . * * - +2]" 1
335 1 23 ARG H 1 23 ARG QG . . 4.870 3.830 3.433 4.183 . 0 0 "[ . 1 . 2]" 1
336 1 23 ARG H 1 24 ILE H . . 5.420 4.498 4.396 4.574 . 0 0 "[ . 1 . 2]" 1
337 1 23 ARG H 1 42 VAL HA . . 5.500 4.782 4.294 5.158 . 0 0 "[ . 1 . 2]" 1
338 1 23 ARG H 1 42 VAL QG . . 5.500 4.815 4.124 5.127 . 0 0 "[ . 1 . 2]" 1
339 1 23 ARG H 1 102 ARG HA . . 4.210 2.751 1.979 3.924 . 0 0 "[ . 1 . 2]" 1
340 1 23 ARG HA 1 23 ARG HD2 . . 5.000 3.394 2.555 4.203 . 0 0 "[ . 1 . 2]" 1
341 1 23 ARG HA 1 23 ARG HD3 . . 4.930 3.484 2.353 4.093 . 0 0 "[ . 1 . 2]" 1
342 1 23 ARG HA 1 24 ILE H . . 3.470 2.329 2.183 2.438 . 0 0 "[ . 1 . 2]" 1
343 1 23 ARG HA 1 24 ILE MD . . 5.100 3.602 2.587 4.626 . 0 0 "[ . 1 . 2]" 1
344 1 23 ARG HA 1 42 VAL QG . . 4.890 3.773 3.450 4.049 . 0 0 "[ . 1 . 2]" 1
345 1 23 ARG HA 1 43 TYR H . . 4.630 3.500 3.201 3.902 . 0 0 "[ . 1 . 2]" 1
346 1 23 ARG HB2 1 23 ARG HD2 . . 4.020 3.207 2.786 3.641 . 0 0 "[ . 1 . 2]" 1
347 1 23 ARG HB2 1 24 ILE H . . 5.270 4.059 3.892 4.345 . 0 0 "[ . 1 . 2]" 1
348 1 23 ARG HB2 1 42 VAL QG . . 5.500 4.234 2.916 4.898 . 0 0 "[ . 1 . 2]" 1
349 1 23 ARG HB3 1 23 ARG HD2 . . 3.860 2.990 1.971 4.209 0.349 17 0 "[ . 1 . 2]" 1
350 1 23 ARG HB3 1 24 ILE H . . 5.130 2.997 2.499 3.901 . 0 0 "[ . 1 . 2]" 1
351 1 23 ARG HB3 1 42 VAL QG . . 5.380 4.798 4.176 5.257 . 0 0 "[ . 1 . 2]" 1
352 1 23 ARG HD2 1 42 VAL HA . . 5.010 3.437 1.954 4.898 . 0 0 "[ . 1 . 2]" 1
353 1 23 ARG HD2 1 42 VAL QG . . 4.150 3.266 1.923 4.682 0.532 7 3 "[ . + - . *2]" 1
354 1 23 ARG HD3 1 42 VAL HA . . 5.030 3.464 1.985 3.917 . 0 0 "[ . 1 . 2]" 1
355 1 23 ARG HD3 1 42 VAL QG . . 3.960 3.123 2.379 3.516 . 0 0 "[ . 1 . 2]" 1
356 1 23 ARG QG 1 24 ILE H . . 5.110 2.985 1.916 3.765 . 0 0 "[ . 1 . 2]" 1
357 1 23 ARG QG 1 41 SER H . . 5.500 4.749 3.713 5.025 . 0 0 "[ . 1 . 2]" 1
358 1 23 ARG QG 1 41 SER QB . . 5.500 3.065 1.938 4.560 . 0 0 "[ . 1 . 2]" 1
359 1 23 ARG QG 1 42 VAL H . . 5.480 3.783 3.377 4.368 . 0 0 "[ . 1 . 2]" 1
360 1 23 ARG QG 1 42 VAL HA . . 5.370 2.414 1.967 3.605 . 0 0 "[ . 1 . 2]" 1
361 1 23 ARG QG 1 42 VAL QG . . 4.410 2.964 1.941 3.747 . 0 0 "[ . 1 . 2]" 1
362 1 23 ARG QG 1 43 TYR H . . 5.500 4.198 3.576 5.295 . 0 0 "[ . 1 . 2]" 1
363 1 24 ILE H 1 24 ILE HB . . 3.980 2.821 2.508 3.554 . 0 0 "[ . 1 . 2]" 1
364 1 24 ILE H 1 24 ILE MD . . 5.000 3.267 2.320 4.257 . 0 0 "[ . 1 . 2]" 1
365 1 24 ILE H 1 24 ILE HG12 . . 5.500 2.852 1.928 4.539 . 0 0 "[ . 1 . 2]" 1
366 1 24 ILE H 1 24 ILE HG13 . . 5.160 3.819 2.814 4.202 . 0 0 "[ . 1 . 2]" 1
367 1 24 ILE H 1 25 THR H . . 5.500 4.377 4.235 4.500 . 0 0 "[ . 1 . 2]" 1
368 1 24 ILE H 1 41 SER HA . . 4.800 3.661 3.092 4.085 . 0 0 "[ . 1 . 2]" 1
369 1 24 ILE H 1 41 SER QB . . 4.270 3.029 1.941 3.943 . 0 0 "[ . 1 . 2]" 1
370 1 24 ILE H 1 42 VAL QG . . 5.250 5.010 4.436 5.372 0.122 5 0 "[ . 1 . 2]" 1
371 1 24 ILE H 1 43 TYR QE . . 5.500 3.574 2.807 4.343 . 0 0 "[ . 1 . 2]" 1
372 1 24 ILE HA 1 103 MET H . . 3.920 3.311 2.698 3.778 . 0 0 "[ . 1 . 2]" 1
373 1 24 ILE HA 1 105 CYS H . . 5.500 4.598 3.983 5.214 . 0 0 "[ . 1 . 2]" 1
374 1 24 ILE HB 1 25 THR H . . 4.920 3.949 2.960 4.229 . 0 0 "[ . 1 . 2]" 1
375 1 24 ILE HB 1 41 SER HA . . 5.500 3.862 3.036 5.424 . 0 0 "[ . 1 . 2]" 1
376 1 24 ILE HB 1 41 SER QB . . 5.500 4.245 2.798 5.622 0.122 9 0 "[ . 1 . 2]" 1
377 1 24 ILE HB 1 43 TYR QE . . 5.500 3.370 2.498 5.375 . 0 0 "[ . 1 . 2]" 1
378 1 24 ILE MD 1 24 ILE MG . . 3.720 2.149 1.908 3.167 . 0 0 "[ . 1 . 2]" 1
379 1 24 ILE MD 1 25 THR H . . 5.500 4.085 3.425 5.172 . 0 0 "[ . 1 . 2]" 1
380 1 24 ILE MD 1 43 TYR QE . . 4.810 3.630 1.916 4.667 . 0 0 "[ . 1 . 2]" 1
381 1 24 ILE MD 1 58 VAL HA . . 5.500 5.747 3.957 6.596 1.096 11 6 "[ * . * 1+* .- *]" 1
382 1 24 ILE MD 1 58 VAL QG . . 4.520 2.754 1.674 3.697 . 0 0 "[ . 1 . 2]" 1
383 1 24 ILE MD 1 103 MET H . . 5.170 3.515 2.511 4.845 . 0 0 "[ . 1 . 2]" 1
384 1 24 ILE HG12 1 43 TYR QE . . 5.500 3.049 2.036 4.998 . 0 0 "[ . 1 . 2]" 1
385 1 24 ILE HG13 1 43 TYR QD . . 5.500 4.058 2.500 6.001 0.501 14 1 "[ . 1 +. 2]" 1
386 1 24 ILE HG13 1 43 TYR QE . . 4.960 3.430 2.086 4.835 . 0 0 "[ . 1 . 2]" 1
387 1 24 ILE HG13 1 58 VAL QG . . 5.500 2.779 1.931 4.485 . 0 0 "[ . 1 . 2]" 1
388 1 24 ILE MG 1 25 THR H . . 4.240 2.429 2.012 3.118 . 0 0 "[ . 1 . 2]" 1
389 1 24 ILE MG 1 25 THR HA . . 5.500 3.594 3.213 5.005 . 0 0 "[ . 1 . 2]" 1
390 1 24 ILE MG 1 25 THR MG . . 5.500 4.926 4.065 5.870 0.370 9 0 "[ . 1 . 2]" 1
391 1 24 ILE MG 1 26 PHE H . . 5.500 3.161 2.681 3.635 . 0 0 "[ . 1 . 2]" 1
392 1 24 ILE MG 1 26 PHE HA . . 5.500 5.104 4.801 5.704 0.204 9 0 "[ . 1 . 2]" 1
393 1 24 ILE MG 1 27 GLU H . . 5.500 4.511 3.830 5.130 . 0 0 "[ . 1 . 2]" 1
394 1 24 ILE MG 1 41 SER HA . . 5.500 5.126 4.573 5.517 0.017 20 0 "[ . 1 . 2]" 1
395 1 24 ILE MG 1 43 TYR QE . . 5.060 4.472 3.919 4.998 . 0 0 "[ . 1 . 2]" 1
396 1 24 ILE MG 1 58 VAL QG . . 5.420 3.156 2.399 3.815 . 0 0 "[ . 1 . 2]" 1
397 1 24 ILE MG 1 103 MET H . . 5.500 4.528 3.920 5.286 . 0 0 "[ . 1 . 2]" 1
398 1 24 ILE MG 1 104 TYR HA . . 5.160 2.947 2.104 3.535 . 0 0 "[ . 1 . 2]" 1
399 1 24 ILE MG 1 105 CYS H . . 4.540 2.570 2.176 3.207 . 0 0 "[ . 1 . 2]" 1
400 1 24 ILE MG 1 105 CYS HA . . 5.240 3.644 3.065 4.210 . 0 0 "[ . 1 . 2]" 1
401 1 24 ILE MG 1 105 CYS HB3 . . 5.500 2.530 1.989 3.765 . 0 0 "[ . 1 . 2]" 1
402 1 25 THR H 1 25 THR HB . . 3.840 3.063 2.952 3.623 . 0 0 "[ . 1 . 2]" 1
403 1 25 THR H 1 26 PHE H . . 5.440 3.148 2.186 3.390 . 0 0 "[ . 1 . 2]" 1
404 1 25 THR H 1 104 TYR H . . 5.460 5.235 4.775 5.376 . 0 0 "[ . 1 . 2]" 1
405 1 25 THR H 1 104 TYR HA . . 3.930 2.930 2.155 3.203 . 0 0 "[ . 1 . 2]" 1
406 1 25 THR H 1 104 TYR QD . . 5.000 3.048 1.923 3.756 . 0 0 "[ . 1 . 2]" 1
407 1 25 THR H 1 104 TYR QE . . 5.500 4.257 3.689 5.001 . 0 0 "[ . 1 . 2]" 1
408 1 25 THR H 1 105 CYS H . . 5.040 3.779 3.264 4.320 . 0 0 "[ . 1 . 2]" 1
409 1 25 THR HA 1 26 PHE H . . 3.320 2.378 2.230 2.880 . 0 0 "[ . 1 . 2]" 1
410 1 25 THR HA 1 104 TYR QD . . 5.500 4.695 4.004 5.004 . 0 0 "[ . 1 . 2]" 1
411 1 25 THR HB 1 26 PHE H . . 5.500 4.459 4.138 4.503 . 0 0 "[ . 1 . 2]" 1
412 1 25 THR HB 1 104 TYR HA . . 5.500 5.363 5.085 5.756 0.256 13 0 "[ . 1 . 2]" 1
413 1 25 THR HB 1 104 TYR QD . . 4.330 4.154 3.786 4.360 0.030 13 0 "[ . 1 . 2]" 1
414 1 25 THR HB 1 104 TYR QE . . 4.300 3.530 2.719 4.494 0.194 13 0 "[ . 1 . 2]" 1
415 1 25 THR MG 1 26 PHE H . . 4.460 3.684 3.469 4.209 . 0 0 "[ . 1 . 2]" 1
416 1 25 THR MG 1 104 TYR HA . . 5.500 5.664 3.980 5.954 0.454 9 0 "[ . 1 . 2]" 1
417 1 25 THR MG 1 104 TYR QD . . 4.120 4.336 2.180 4.750 0.630 9 3 "[ *. +1 . - 2]" 1
418 1 25 THR MG 1 104 TYR QE . . 3.840 3.642 1.838 3.769 . 0 0 "[ . 1 . 2]" 1
419 1 26 PHE H 1 26 PHE HB3 . . 4.050 2.617 2.552 2.806 . 0 0 "[ . 1 . 2]" 1
420 1 26 PHE H 1 27 GLU H . . 5.290 2.675 2.543 2.769 . 0 0 "[ . 1 . 2]" 1
421 1 26 PHE H 1 27 GLU HA . . 5.370 4.332 4.281 4.652 . 0 0 "[ . 1 . 2]" 1
422 1 26 PHE HA 1 27 GLU H . . 3.310 3.550 3.537 3.562 0.252 18 0 "[ . 1 . 2]" 1
423 1 26 PHE HB2 1 27 GLU H . . 4.480 3.472 3.358 3.527 . 0 0 "[ . 1 . 2]" 1
424 1 27 GLU H 1 27 GLU QG . . 4.860 3.847 2.604 4.208 . 0 0 "[ . 1 . 2]" 1
425 1 27 GLU H 1 28 LEU H . . 4.650 4.043 3.569 4.341 . 0 0 "[ . 1 . 2]" 1
426 1 27 GLU H 1 28 LEU QD . . 5.500 3.137 2.511 3.535 . 0 0 "[ . 1 . 2]" 1
427 1 27 GLU H 1 105 CYS H . . 4.650 3.898 3.376 4.314 . 0 0 "[ . 1 . 2]" 1
428 1 27 GLU HA 1 28 LEU HA . . 5.060 4.446 4.389 4.596 . 0 0 "[ . 1 . 2]" 1
429 1 27 GLU HA 1 29 ASP H . . 4.900 4.191 3.896 4.313 . 0 0 "[ . 1 . 2]" 1
430 1 27 GLU HB2 1 28 LEU H . . 5.410 4.079 2.519 4.624 . 0 0 "[ . 1 . 2]" 1
431 1 27 GLU QG 1 104 TYR QD . . 5.270 6.959 5.995 8.064 2.794 17 20 [****************+-**] 1
432 1 27 GLU QG 1 105 CYS H . . 5.500 6.932 4.640 7.847 2.347 16 16 "[ ******-**** *+* **]" 1
433 1 28 LEU H 1 28 LEU QD . . 5.070 3.516 2.757 3.941 . 0 0 "[ . 1 . 2]" 1
434 1 28 LEU H 1 28 LEU HG . . 5.170 4.710 3.241 5.040 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU H 1 29 ASP H . . 3.320 2.197 1.907 2.305 . 0 0 "[ . 1 . 2]" 1
436 1 28 LEU H 1 29 ASP HA . . 4.910 4.388 4.202 4.722 . 0 0 "[ . 1 . 2]" 1
437 1 28 LEU H 1 29 ASP HB2 . . 5.500 4.876 4.515 5.188 . 0 0 "[ . 1 . 2]" 1
438 1 28 LEU H 1 29 ASP HB3 . . 5.500 5.397 5.007 5.975 0.475 3 0 "[ . 1 . 2]" 1
439 1 28 LEU HA 1 29 ASP HA . . 5.500 4.550 4.541 4.565 . 0 0 "[ . 1 . 2]" 1
440 1 28 LEU HA 1 107 PHE H . . 4.890 5.972 4.854 6.527 1.637 13 17 "[***-**** ***+**** *]" 1
441 1 28 LEU QB 1 29 ASP H . . 4.080 2.393 2.341 2.526 . 0 0 "[ . 1 . 2]" 1
442 1 28 LEU QD 1 29 ASP H . . 4.810 3.868 3.744 4.027 . 0 0 "[ . 1 . 2]" 1
443 1 28 LEU QD 1 32 VAL QG . . 5.500 4.850 4.191 5.367 . 0 0 "[ . 1 . 2]" 1
444 1 28 LEU QD 1 66 LEU QD . . 5.500 3.466 2.651 4.794 . 0 0 "[ . 1 . 2]" 1
445 1 28 LEU QD 1 88 PHE QD . . 4.890 3.537 2.402 4.336 . 0 0 "[ . 1 . 2]" 1
446 1 28 LEU QD 1 88 PHE QE . . 5.120 2.343 1.873 3.499 . 0 0 "[ . 1 . 2]" 1
447 1 28 LEU QD 1 106 SER H . . 5.320 5.087 4.767 5.194 . 0 0 "[ . 1 . 2]" 1
448 1 28 LEU QD 1 106 SER HA . . 4.290 4.342 3.874 4.854 0.564 9 2 "[ . +1 . - 2]" 1
449 1 28 LEU QD 1 107 PHE H . . 4.360 4.572 4.161 4.629 0.269 2 0 "[ . 1 . 2]" 1
450 1 28 LEU QD 1 107 PHE QR . . 4.720 3.900 1.987 4.592 . 0 0 "[ . 1 . 2]" 1
451 1 28 LEU QD 1 108 TYR H . . 5.500 6.328 5.740 6.673 1.173 10 19 "[*******-*+******** *]" 1
452 1 28 LEU QD 1 108 TYR QD . . 5.380 6.676 6.249 7.031 1.651 9 20 [********+*-*********] 1
453 1 28 LEU HG 1 29 ASP H . . 4.790 4.707 4.231 4.833 0.043 13 0 "[ . 1 . 2]" 1
454 1 28 LEU HG 1 32 VAL QG . . 5.080 6.330 5.343 7.021 1.941 2 19 "[*+******** *******-*]" 1
455 1 28 LEU HG 1 88 PHE QD . . 4.820 5.538 4.108 6.134 1.314 15 14 "[** ** ** 1*-**+** *]" 1
456 1 28 LEU HG 1 88 PHE QE . . 4.090 3.840 2.211 4.524 0.434 2 0 "[ . 1 . 2]" 1
457 1 29 ASP H 1 30 GLU H . . 4.940 4.418 4.368 4.456 . 0 0 "[ . 1 . 2]" 1
458 1 29 ASP H 1 30 GLU HA . . 5.150 4.846 4.749 4.945 . 0 0 "[ . 1 . 2]" 1
459 1 29 ASP H 1 32 VAL HB . . 5.350 6.742 4.450 7.343 1.993 19 19 "[*******-** *******+*]" 1
460 1 29 ASP H 1 32 VAL QG . . 4.840 4.520 4.304 4.644 . 0 0 "[ . 1 . 2]" 1
461 1 29 ASP H 1 83 TRP HH2 . . 5.380 4.879 4.341 5.181 . 0 0 "[ . 1 . 2]" 1
462 1 29 ASP HA 1 30 GLU H . . 3.010 2.556 2.296 2.678 . 0 0 "[ . 1 . 2]" 1
463 1 29 ASP HA 1 30 GLU HA . . 5.290 4.416 4.316 4.448 . 0 0 "[ . 1 . 2]" 1
464 1 29 ASP HA 1 30 GLU QB . . 5.390 4.324 4.257 4.437 . 0 0 "[ . 1 . 2]" 1
465 1 29 ASP HA 1 30 GLU HG2 . . 4.990 4.305 4.231 4.542 . 0 0 "[ . 1 . 2]" 1
466 1 29 ASP HA 1 31 ARG H . . 4.770 4.381 3.928 4.615 . 0 0 "[ . 1 . 2]" 1
467 1 29 ASP HA 1 83 TRP HZ2 . . 4.670 4.364 3.716 4.591 . 0 0 "[ . 1 . 2]" 1
468 1 29 ASP HB2 1 30 GLU H . . 4.670 3.663 2.598 4.020 . 0 0 "[ . 1 . 2]" 1
469 1 29 ASP HB2 1 83 TRP HZ2 . . 4.690 3.941 3.376 5.274 0.584 5 2 "[- + 1 . 2]" 1
470 1 29 ASP HB3 1 30 GLU H . . 5.000 2.635 2.031 3.741 . 0 0 "[ . 1 . 2]" 1
471 1 29 ASP HB3 1 31 ARG H . . 5.230 3.230 2.888 3.810 . 0 0 "[ . 1 . 2]" 1
472 1 29 ASP HB3 1 32 VAL H . . 4.730 2.417 1.924 3.212 . 0 0 "[ . 1 . 2]" 1
473 1 29 ASP HB3 1 32 VAL QG . . 4.660 2.281 2.013 2.995 . 0 0 "[ . 1 . 2]" 1
474 1 29 ASP HB3 1 83 TRP HZ2 . . 5.370 4.986 4.254 5.278 . 0 0 "[ . 1 . 2]" 1
475 1 30 GLU H 1 30 GLU QB . . 3.530 2.678 2.369 3.020 . 0 0 "[ . 1 . 2]" 1
476 1 30 GLU H 1 30 GLU HG2 . . 4.030 3.151 2.312 3.763 . 0 0 "[ . 1 . 2]" 1
477 1 30 GLU H 1 30 GLU HG3 . . 4.290 2.979 2.130 3.764 . 0 0 "[ . 1 . 2]" 1
478 1 30 GLU H 1 31 ARG HA . . 5.160 4.721 4.585 5.154 . 0 0 "[ . 1 . 2]" 1
479 1 30 GLU H 1 32 VAL H . . 5.280 3.193 2.943 3.680 . 0 0 "[ . 1 . 2]" 1
480 1 30 GLU HA 1 30 GLU HG2 . . 4.080 3.106 2.209 3.988 . 0 0 "[ . 1 . 2]" 1
481 1 30 GLU HA 1 30 GLU HG3 . . 3.920 3.554 3.396 3.617 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLU HA 1 32 VAL H . . 4.440 4.580 4.051 5.173 0.733 3 3 "[* + . 1 .- 2]" 1
483 1 30 GLU HA 1 32 VAL QG . . 5.070 5.409 5.120 6.071 1.001 11 2 "[ . 1+ .- 2]" 1
484 1 30 GLU QB 1 76 MET ME . . 4.920 5.769 4.273 7.621 2.701 13 11 "[ * *-* * +**** *2]" 1
485 1 30 GLU HG2 1 31 ARG H . . 5.480 4.195 3.566 4.862 . 0 0 "[ . 1 . 2]" 1
486 1 31 ARG H 1 31 ARG QB . . 3.520 2.403 2.095 2.973 . 0 0 "[ . 1 . 2]" 1
487 1 31 ARG H 1 31 ARG QD . . 4.860 3.707 2.833 4.245 . 0 0 "[ . 1 . 2]" 1
488 1 31 ARG H 1 31 ARG HE . . 4.360 5.757 4.376 6.620 2.260 16 16 "[-******* 1*****+** 2]" 1
489 1 31 ARG H 1 32 VAL H . . 3.840 2.164 1.841 2.465 . 0 0 "[ . 1 . 2]" 1
490 1 31 ARG H 1 32 VAL QG . . 5.280 3.373 3.126 3.565 . 0 0 "[ . 1 . 2]" 1
491 1 31 ARG H 1 33 ASP H . . 4.590 4.149 3.819 4.533 . 0 0 "[ . 1 . 2]" 1
492 1 31 ARG H 1 76 MET ME . . 4.730 4.968 3.517 6.200 1.470 13 8 "[ *.* * +**-* 2]" 1
493 1 31 ARG H 1 78 ILE MD . . 5.500 4.354 3.815 4.952 . 0 0 "[ . 1 . 2]" 1
494 1 31 ARG HA 1 33 ASP QB . . 5.500 5.063 4.633 5.491 . 0 0 "[ . 1 . 2]" 1
495 1 31 ARG HA 1 76 MET ME . . 4.520 6.083 4.968 7.227 2.707 13 19 "[******** *-*+*******]" 1
496 1 31 ARG QB 1 32 VAL H . . 5.310 2.929 2.433 3.889 . 0 0 "[ . 1 . 2]" 1
497 1 31 ARG QB 1 32 VAL HA . . 5.500 4.236 3.916 4.834 . 0 0 "[ . 1 . 2]" 1
498 1 31 ARG QD 1 76 MET ME . . 4.560 4.047 1.873 6.242 1.682 13 7 "[* -. * +** * 2]" 1
499 1 31 ARG QD 1 78 ILE MD . . 5.500 5.515 3.456 6.512 1.012 13 6 "[ -. ** + * * 2]" 1
500 1 31 ARG HE 1 32 VAL H . . 5.080 6.690 4.163 7.676 2.596 8 18 "[****.**+-********* *]" 1
501 1 31 ARG HE 1 76 MET ME . . 4.690 5.204 4.056 6.654 1.964 15 9 "[ ***. *1*-**+ 2]" 1
502 1 32 VAL H 1 32 VAL QG . . 4.230 2.114 1.876 2.600 . 0 0 "[ . 1 . 2]" 1
503 1 32 VAL H 1 33 ASP H . . 3.230 2.834 2.178 3.292 0.062 11 0 "[ . 1 . 2]" 1
504 1 32 VAL H 1 33 ASP QB . . 5.340 4.024 3.389 4.385 . 0 0 "[ . 1 . 2]" 1
505 1 32 VAL HA 1 34 LYS H . . 4.740 3.895 3.465 4.203 . 0 0 "[ . 1 . 2]" 1
506 1 32 VAL HA 1 34 LYS QE . . 4.100 3.387 2.808 3.939 . 0 0 "[ . 1 . 2]" 1
507 1 32 VAL HA 1 35 VAL H . . 4.300 3.418 3.230 3.756 . 0 0 "[ . 1 . 2]" 1
508 1 32 VAL HA 1 35 VAL QG . . 4.320 2.173 1.871 2.695 . 0 0 "[ . 1 . 2]" 1
509 1 32 VAL HB 1 33 ASP H . . 4.990 4.416 4.355 4.567 . 0 0 "[ . 1 . 2]" 1
510 1 32 VAL HB 1 33 ASP HA . . 5.500 4.928 4.701 5.790 0.290 19 0 "[ . 1 . 2]" 1
511 1 32 VAL HB 1 83 TRP HH2 . . 5.500 5.072 4.468 5.480 . 0 0 "[ . 1 . 2]" 1
512 1 32 VAL QG 1 33 ASP H . . 4.340 3.556 3.394 3.672 . 0 0 "[ . 1 . 2]" 1
513 1 32 VAL QG 1 33 ASP HA . . 5.350 3.776 3.426 3.940 . 0 0 "[ . 1 . 2]" 1
514 1 32 VAL QG 1 66 LEU QD . . 3.790 1.951 1.730 2.457 . 0 0 "[ . 1 . 2]" 1
515 1 32 VAL QG 1 78 ILE MD . . 5.030 3.825 3.355 4.214 . 0 0 "[ . 1 . 2]" 1
516 1 32 VAL QG 1 78 ILE MG . . 5.500 3.960 3.451 4.287 . 0 0 "[ . 1 . 2]" 1
517 1 32 VAL QG 1 83 TRP HE1 . . 5.500 6.267 6.017 6.682 1.182 12 20 [***********+*-******] 1
518 1 32 VAL QG 1 83 TRP HH2 . . 4.520 3.017 2.624 3.818 . 0 0 "[ . 1 . 2]" 1
519 1 32 VAL QG 1 83 TRP HZ2 . . 5.440 4.229 3.894 4.891 . 0 0 "[ . 1 . 2]" 1
520 1 32 VAL QG 1 83 TRP HZ3 . . 4.990 4.179 3.730 4.609 . 0 0 "[ . 1 . 2]" 1
521 1 33 ASP H 1 33 ASP QB . . 3.870 2.286 2.101 2.629 . 0 0 "[ . 1 . 2]" 1
522 1 33 ASP H 1 34 LYS H . . 4.240 2.457 1.948 2.764 . 0 0 "[ . 1 . 2]" 1
523 1 33 ASP HA 1 35 VAL H . . 4.980 3.855 3.677 4.061 . 0 0 "[ . 1 . 2]" 1
524 1 33 ASP HA 1 36 LEU H . . 4.830 3.872 3.521 4.149 . 0 0 "[ . 1 . 2]" 1
525 1 33 ASP HA 1 36 LEU HG . . 4.780 3.548 3.010 3.826 . 0 0 "[ . 1 . 2]" 1
526 1 33 ASP HA 1 37 ASN H . . 5.500 5.295 5.018 5.389 . 0 0 "[ . 1 . 2]" 1
527 1 33 ASP HA 1 37 ASN QD . . 5.500 6.127 3.665 7.411 1.911 5 13 "[ ** +*** 1 * ***-**]" 1
528 1 33 ASP QB 1 34 LYS H . . 3.930 2.730 2.170 3.443 . 0 0 "[ . 1 . 2]" 1
529 1 33 ASP QB 1 34 LYS HB3 . . 5.500 4.143 3.568 5.006 . 0 0 "[ . 1 . 2]" 1
530 1 33 ASP QB 1 37 ASN H . . 5.290 5.724 5.529 6.050 0.760 5 5 "[ ** + 1 *- 2]" 1
531 1 33 ASP QB 1 37 ASN QD . . 5.500 5.010 2.681 6.582 1.082 5 5 "[ + - 1 ** *]" 1
532 1 34 LYS H 1 34 LYS HB3 . . 3.530 2.246 2.147 2.343 . 0 0 "[ . 1 . 2]" 1
533 1 34 LYS H 1 34 LYS QD . . 4.500 1.966 1.868 2.185 . 0 0 "[ . 1 . 2]" 1
534 1 34 LYS H 1 34 LYS QE . . 4.390 3.195 1.912 4.131 . 0 0 "[ . 1 . 2]" 1
535 1 34 LYS H 1 34 LYS QG . . 4.230 3.468 3.348 3.602 . 0 0 "[ . 1 . 2]" 1
536 1 34 LYS H 1 35 VAL H . . 3.550 2.579 2.446 2.715 . 0 0 "[ . 1 . 2]" 1
537 1 34 LYS H 1 35 VAL HA . . 5.230 5.127 5.025 5.276 0.046 5 0 "[ . 1 . 2]" 1
538 1 34 LYS H 1 35 VAL HB . . 5.060 4.939 4.822 5.076 0.016 15 0 "[ . 1 . 2]" 1
539 1 34 LYS H 1 35 VAL QG . . 5.000 3.723 3.400 3.976 . 0 0 "[ . 1 . 2]" 1
540 1 34 LYS H 1 36 LEU H . . 5.500 4.253 4.128 4.364 . 0 0 "[ . 1 . 2]" 1
541 1 34 LYS H 1 37 ASN H . . 5.250 4.972 4.855 5.112 . 0 0 "[ . 1 . 2]" 1
542 1 34 LYS HA 1 37 ASN H . . 4.320 2.982 2.782 3.255 . 0 0 "[ . 1 . 2]" 1
543 1 34 LYS HA 1 37 ASN QB . . 4.870 2.337 1.982 3.104 . 0 0 "[ . 1 . 2]" 1
544 1 34 LYS HA 1 37 ASN QD . . 4.720 3.306 2.459 4.167 . 0 0 "[ . 1 . 2]" 1
545 1 34 LYS HA 1 38 GLU H . . 5.220 3.516 2.864 4.159 . 0 0 "[ . 1 . 2]" 1
546 1 34 LYS HB2 1 35 VAL H . . 4.760 4.301 4.209 4.392 . 0 0 "[ . 1 . 2]" 1
547 1 34 LYS HB3 1 34 LYS QE . . 4.630 2.887 1.953 3.979 . 0 0 "[ . 1 . 2]" 1
548 1 34 LYS HB3 1 35 VAL H . . 4.150 3.902 3.785 4.032 . 0 0 "[ . 1 . 2]" 1
549 1 34 LYS HB3 1 36 LEU H . . 5.500 5.459 5.341 5.626 0.126 11 0 "[ . 1 . 2]" 1
550 1 34 LYS QD 1 35 VAL H . . 4.570 1.991 1.877 2.220 . 0 0 "[ . 1 . 2]" 1
551 1 34 LYS QD 1 35 VAL QG . . 4.970 1.901 1.743 2.047 . 0 0 "[ . 1 . 2]" 1
552 1 34 LYS QD 1 37 ASN H . . 5.460 5.007 4.866 5.175 . 0 0 "[ . 1 . 2]" 1
553 1 34 LYS QE 1 34 LYS QG . . 3.350 2.209 1.989 2.824 . 0 0 "[ . 1 . 2]" 1
554 1 34 LYS QE 1 35 VAL QG . . 4.580 3.125 2.244 3.750 . 0 0 "[ . 1 . 2]" 1
555 1 34 LYS QG 1 35 VAL H . . 5.360 3.162 2.878 3.429 . 0 0 "[ . 1 . 2]" 1
556 1 34 LYS QG 1 37 ASN H . . 5.500 4.641 4.414 4.934 . 0 0 "[ . 1 . 2]" 1
557 1 34 LYS QG 1 38 GLU H . . 5.140 4.280 3.893 4.702 . 0 0 "[ . 1 . 2]" 1
558 1 34 LYS QG 1 38 GLU HG2 . . 4.710 3.750 2.860 5.314 0.604 11 1 "[ . 1+ . 2]" 1
559 1 34 LYS QG 1 39 LYS H . . 4.000 4.586 3.695 5.328 1.328 19 11 "[ ** *** * * *.* +-]" 1
560 1 35 VAL H 1 35 VAL HB . . 3.310 2.556 2.496 2.643 . 0 0 "[ . 1 . 2]" 1
561 1 35 VAL H 1 35 VAL QG . . 3.630 2.152 1.911 2.310 . 0 0 "[ . 1 . 2]" 1
562 1 35 VAL H 1 36 LEU HA . . 5.330 5.216 5.109 5.292 . 0 0 "[ . 1 . 2]" 1
563 1 35 VAL H 1 36 LEU QB . . 5.140 4.692 4.382 4.991 . 0 0 "[ . 1 . 2]" 1
564 1 35 VAL H 1 36 LEU HG . . 4.900 4.623 3.604 4.786 . 0 0 "[ . 1 . 2]" 1
565 1 35 VAL H 1 37 ASN H . . 5.010 3.876 3.759 3.959 . 0 0 "[ . 1 . 2]" 1
566 1 35 VAL HA 1 36 LEU HG . . 5.500 5.886 5.097 6.024 0.524 4 3 "[ +. 1* . - 2]" 1
567 1 35 VAL HA 1 37 ASN H . . 5.500 4.009 3.799 4.120 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL HA 1 38 GLU H . . 4.180 4.004 3.545 4.130 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL HA 1 38 GLU QB . . 5.440 4.427 3.693 5.172 . 0 0 "[ . 1 . 2]" 1
570 1 35 VAL HA 1 38 GLU HG2 . . 5.500 4.630 2.256 6.490 0.990 1 3 "[+- . 1* . 2]" 1
571 1 35 VAL HA 1 39 LYS H . . 4.840 3.429 3.090 3.729 . 0 0 "[ . 1 . 2]" 1
572 1 35 VAL HA 1 39 LYS QD . . 5.500 3.074 1.984 5.047 . 0 0 "[ . 1 . 2]" 1
573 1 35 VAL HB 1 36 LEU H . . 3.860 3.156 3.030 3.447 . 0 0 "[ . 1 . 2]" 1
574 1 35 VAL QG 1 36 LEU H . . 4.800 3.493 3.438 3.597 . 0 0 "[ . 1 . 2]" 1
575 1 35 VAL QG 1 37 ASN H . . 5.500 4.491 4.373 4.560 . 0 0 "[ . 1 . 2]" 1
576 1 35 VAL QG 1 38 GLU H . . 5.500 4.798 4.438 4.877 . 0 0 "[ . 1 . 2]" 1
577 1 35 VAL QG 1 38 GLU QB . . 5.500 4.961 4.442 5.464 . 0 0 "[ . 1 . 2]" 1
578 1 35 VAL QG 1 39 LYS H . . 4.940 4.234 3.845 4.445 . 0 0 "[ . 1 . 2]" 1
579 1 35 VAL QG 1 39 LYS QD . . 4.430 2.336 1.844 4.081 . 0 0 "[ . 1 . 2]" 1
580 1 35 VAL QG 1 39 LYS QG . . 5.500 3.190 1.862 3.830 . 0 0 "[ . 1 . 2]" 1
581 1 35 VAL QG 1 40 CYS H . . 4.750 5.204 4.563 5.594 0.844 20 10 "[ * . * 1 *-**** *+]" 1
582 1 35 VAL QG 1 66 LEU QD . . 3.740 1.990 1.683 2.563 . 0 0 "[ . 1 . 2]" 1
583 1 36 LEU H 1 36 LEU QD . . 4.890 2.891 2.219 3.174 . 0 0 "[ . 1 . 2]" 1
584 1 36 LEU H 1 36 LEU HG . . 4.100 2.508 1.996 2.634 . 0 0 "[ . 1 . 2]" 1
585 1 36 LEU H 1 37 ASN H . . 3.670 2.084 1.956 2.292 . 0 0 "[ . 1 . 2]" 1
586 1 36 LEU H 1 38 GLU H . . 4.640 3.662 3.493 4.013 . 0 0 "[ . 1 . 2]" 1
587 1 36 LEU H 1 39 LYS H . . 5.500 4.366 4.068 4.729 . 0 0 "[ . 1 . 2]" 1
588 1 36 LEU H 1 40 CYS H . . 4.560 5.261 4.658 5.527 0.967 14 17 "[*****-** * **+*** **]" 1
589 1 36 LEU HA 1 38 GLU H . . 5.500 4.188 3.949 4.484 . 0 0 "[ . 1 . 2]" 1
590 1 36 LEU HA 1 39 LYS H . . 4.430 4.070 3.728 4.594 0.164 13 0 "[ . 1 . 2]" 1
591 1 36 LEU HA 1 40 CYS H . . 3.970 3.562 3.046 3.817 . 0 0 "[ . 1 . 2]" 1
592 1 36 LEU QB 1 37 ASN H . . 4.130 3.877 3.832 3.921 . 0 0 "[ . 1 . 2]" 1
593 1 36 LEU QD 1 37 ASN H . . 4.900 3.691 2.771 3.842 . 0 0 "[ . 1 . 2]" 1
594 1 36 LEU QD 1 40 CYS H . . 5.500 5.424 5.199 5.593 0.093 13 0 "[ . 1 . 2]" 1
595 1 36 LEU HG 1 37 ASN H . . 4.890 3.149 2.922 3.576 . 0 0 "[ . 1 . 2]" 1
596 1 36 LEU HG 1 38 GLU H . . 5.500 5.016 4.838 5.386 . 0 0 "[ . 1 . 2]" 1
597 1 36 LEU HG 1 40 CYS H . . 5.100 6.251 5.816 6.734 1.634 8 20 [*******+-***********] 1
598 1 37 ASN H 1 37 ASN QB . . 3.610 2.471 2.370 2.704 . 0 0 "[ . 1 . 2]" 1
599 1 37 ASN H 1 37 ASN QD . . 5.460 4.276 3.240 4.789 . 0 0 "[ . 1 . 2]" 1
600 1 37 ASN H 1 38 GLU H . . 3.700 1.896 1.839 2.013 . 0 0 "[ . 1 . 2]" 1
601 1 37 ASN H 1 38 GLU HA . . 5.500 4.657 4.607 4.750 . 0 0 "[ . 1 . 2]" 1
602 1 37 ASN H 1 38 GLU QB . . 4.900 3.986 3.661 4.555 . 0 0 "[ . 1 . 2]" 1
603 1 37 ASN H 1 39 LYS H . . 5.420 3.262 2.902 3.661 . 0 0 "[ . 1 . 2]" 1
604 1 37 ASN HA 1 38 GLU QB . . 5.110 5.094 4.964 5.528 0.418 11 0 "[ . 1 . 2]" 1
605 1 37 ASN QB 1 38 GLU H . . 3.930 3.219 2.729 3.684 . 0 0 "[ . 1 . 2]" 1
606 1 38 GLU H 1 38 GLU QB . . 3.200 2.538 2.343 2.800 . 0 0 "[ . 1 . 2]" 1
607 1 38 GLU H 1 38 GLU HG2 . . 4.200 3.502 2.364 4.780 0.580 1 1 "[+ . 1 . 2]" 1
608 1 38 GLU H 1 39 LYS H . . 3.450 1.973 1.873 2.251 . 0 0 "[ . 1 . 2]" 1
609 1 38 GLU H 1 40 CYS H . . 4.760 3.314 2.973 3.713 . 0 0 "[ . 1 . 2]" 1
610 1 38 GLU HA 1 38 GLU HG2 . . 4.080 3.584 2.435 4.217 0.137 10 0 "[ . 1 . 2]" 1
611 1 38 GLU HA 1 40 CYS H . . 5.500 4.122 3.830 4.487 . 0 0 "[ . 1 . 2]" 1
612 1 38 GLU QB 1 39 LYS H . . 3.750 2.997 2.359 3.623 . 0 0 "[ . 1 . 2]" 1
613 1 38 GLU QB 1 40 CYS H . . 5.160 4.771 4.309 5.081 . 0 0 "[ . 1 . 2]" 1
614 1 38 GLU HG2 1 39 LYS H . . 4.990 3.370 2.038 4.580 . 0 0 "[ . 1 . 2]" 1
615 1 38 GLU HG2 1 39 LYS HA . . 5.500 4.401 3.525 6.466 0.966 2 3 "[ + . 1- . *2]" 1
616 1 39 LYS H 1 39 LYS QG . . 4.210 3.306 1.909 4.084 . 0 0 "[ . 1 . 2]" 1
617 1 39 LYS H 1 40 CYS H . . 3.300 2.460 2.171 2.884 . 0 0 "[ . 1 . 2]" 1
618 1 39 LYS HA 1 39 LYS QE . . 4.200 3.570 2.231 4.370 0.170 20 0 "[ . 1 . 2]" 1
619 1 39 LYS HA 1 65 THR MG . . 5.500 4.734 3.836 5.457 . 0 0 "[ . 1 . 2]" 1
620 1 39 LYS QB 1 65 THR MG . . 5.500 2.507 1.844 3.113 . 0 0 "[ . 1 . 2]" 1
621 1 39 LYS QD 1 40 CYS H . . 4.480 5.326 4.799 5.552 1.072 12 19 "[* *********+******-*]" 1
622 1 39 LYS QD 1 40 CYS QB . . 5.500 5.368 4.542 6.091 0.591 6 1 "[ .+ 1 . 2]" 1
623 1 39 LYS QD 1 65 THR MG . . 5.210 3.256 2.226 4.221 . 0 0 "[ . 1 . 2]" 1
624 1 39 LYS QE 1 65 THR MG . . 4.820 4.315 1.951 4.714 . 0 0 "[ . 1 . 2]" 1
625 1 39 LYS QG 1 40 CYS H . . 5.500 4.208 3.376 4.629 . 0 0 "[ . 1 . 2]" 1
626 1 39 LYS QG 1 65 THR MG . . 5.500 2.969 1.866 4.098 . 0 0 "[ . 1 . 2]" 1
627 1 40 CYS H 1 41 SER H . . 3.880 3.103 2.256 3.341 . 0 0 "[ . 1 . 2]" 1
628 1 40 CYS H 1 41 SER QB . . 5.320 3.825 3.416 4.383 . 0 0 "[ . 1 . 2]" 1
629 1 40 CYS H 1 42 VAL H . . 5.240 4.941 4.231 5.086 . 0 0 "[ . 1 . 2]" 1
630 1 40 CYS HA 1 41 SER H . . 3.470 2.313 2.218 2.687 . 0 0 "[ . 1 . 2]" 1
631 1 40 CYS HA 1 42 VAL H . . 4.130 3.412 3.150 3.918 . 0 0 "[ . 1 . 2]" 1
632 1 40 CYS QB 1 41 SER H . . 4.740 3.889 3.765 4.047 . 0 0 "[ . 1 . 2]" 1
633 1 40 CYS QB 1 42 VAL HB . . 5.010 6.924 5.527 8.101 3.091 11 20 [**********+********-] 1
634 1 41 SER H 1 42 VAL H . . 3.150 1.956 1.865 2.096 . 0 0 "[ . 1 . 2]" 1
635 1 41 SER H 1 42 VAL HB . . 4.870 4.447 4.085 4.904 0.034 13 0 "[ . 1 . 2]" 1
636 1 41 SER H 1 42 VAL QG . . 4.690 3.190 2.947 3.960 . 0 0 "[ . 1 . 2]" 1
637 1 41 SER H 1 43 TYR QE . . 5.450 4.615 3.615 5.187 . 0 0 "[ . 1 . 2]" 1
638 1 41 SER HA 1 42 VAL HB . . 5.500 5.752 5.620 5.863 0.363 9 0 "[ . 1 . 2]" 1
639 1 41 SER HA 1 43 TYR QE . . 4.920 2.499 2.146 3.182 . 0 0 "[ . 1 . 2]" 1
640 1 41 SER QB 1 42 VAL H . . 4.930 3.383 3.033 3.796 . 0 0 "[ . 1 . 2]" 1
641 1 41 SER QB 1 42 VAL QG . . 5.500 3.928 3.023 4.508 . 0 0 "[ . 1 . 2]" 1
642 1 41 SER QB 1 43 TYR QE . . 5.500 4.108 3.624 4.729 . 0 0 "[ . 1 . 2]" 1
643 1 42 VAL H 1 42 VAL HB . . 3.200 2.835 2.374 3.138 . 0 0 "[ . 1 . 2]" 1
644 1 42 VAL H 1 42 VAL QG . . 3.570 2.093 1.893 2.606 . 0 0 "[ . 1 . 2]" 1
645 1 42 VAL H 1 43 TYR H . . 4.540 4.540 4.505 4.590 0.050 9 0 "[ . 1 . 2]" 1
646 1 42 VAL H 1 43 TYR QD . . 5.210 4.418 3.752 4.762 . 0 0 "[ . 1 . 2]" 1
647 1 42 VAL H 1 43 TYR QE . . 4.990 4.259 4.010 4.549 . 0 0 "[ . 1 . 2]" 1
648 1 42 VAL HA 1 43 TYR H . . 3.250 2.201 2.165 2.225 . 0 0 "[ . 1 . 2]" 1
649 1 42 VAL HA 1 44 THR H . . 5.500 6.338 6.183 6.443 0.943 13 20 [********-***+*******] 1
650 1 42 VAL HA 1 44 THR HA . . 5.490 6.811 6.720 6.901 1.411 13 20 [********-***+*******] 1
651 1 42 VAL HB 1 43 TYR H . . 4.740 3.991 3.877 4.151 . 0 0 "[ . 1 . 2]" 1
652 1 42 VAL QG 1 43 TYR H . . 3.880 2.315 2.138 2.478 . 0 0 "[ . 1 . 2]" 1
653 1 42 VAL QG 1 43 TYR HA . . 4.230 3.184 3.041 3.492 . 0 0 "[ . 1 . 2]" 1
654 1 42 VAL QG 1 43 TYR QB . . 5.500 4.131 4.045 4.247 . 0 0 "[ . 1 . 2]" 1
655 1 42 VAL QG 1 43 TYR QD . . 5.100 4.009 3.875 4.230 . 0 0 "[ . 1 . 2]" 1
656 1 42 VAL QG 1 44 THR H . . 4.640 4.384 4.080 4.569 . 0 0 "[ . 1 . 2]" 1
657 1 43 TYR H 1 43 TYR QD . . 4.110 2.810 2.538 3.249 . 0 0 "[ . 1 . 2]" 1
658 1 43 TYR H 1 43 TYR QE . . 5.390 4.786 4.256 5.209 . 0 0 "[ . 1 . 2]" 1
659 1 43 TYR HA 1 44 THR H . . 3.570 2.314 2.178 2.459 . 0 0 "[ . 1 . 2]" 1
660 1 43 TYR QB 1 44 THR H . . 3.960 2.634 2.309 3.026 . 0 0 "[ . 1 . 2]" 1
661 1 43 TYR QB 1 58 VAL QG . . 5.500 3.688 2.759 5.533 0.033 14 0 "[ . 1 . 2]" 1
662 1 43 TYR QB 1 61 ALA MB . . 5.250 5.430 5.039 5.995 0.745 20 3 "[- . 1 . * +]" 1
663 1 43 TYR QD 1 44 THR H . . 4.640 4.115 3.800 4.465 . 0 0 "[ . 1 . 2]" 1
664 1 43 TYR QD 1 44 THR MG . . 5.500 6.615 5.977 6.870 1.370 6 19 "[****-+******* ******]" 1
665 1 43 TYR QD 1 57 VAL QG . . 4.790 3.371 2.665 4.007 . 0 0 "[ . 1 . 2]" 1
666 1 43 TYR QD 1 58 VAL QG . . 5.100 3.426 2.712 4.572 . 0 0 "[ . 1 . 2]" 1
667 1 43 TYR QD 1 61 ALA MB . . 4.950 3.951 3.493 4.642 . 0 0 "[ . 1 . 2]" 1
668 1 43 TYR QE 1 58 VAL QG . . 5.070 3.066 2.401 4.295 . 0 0 "[ . 1 . 2]" 1
669 1 43 TYR QE 1 61 ALA MB . . 4.560 2.589 1.943 4.352 . 0 0 "[ . 1 . 2]" 1
670 1 43 TYR QE 1 62 VAL QG . . 4.630 3.946 3.415 5.057 0.427 14 0 "[ . 1 . 2]" 1
671 1 44 THR H 1 44 THR HB . . 3.660 2.959 2.611 3.168 . 0 0 "[ . 1 . 2]" 1
672 1 44 THR H 1 44 THR MG . . 4.100 3.776 3.549 3.879 . 0 0 "[ . 1 . 2]" 1
673 1 44 THR HA 1 45 VAL H . . 3.320 2.229 2.150 2.324 . 0 0 "[ . 1 . 2]" 1
674 1 44 THR HA 1 45 VAL QG . . 5.500 3.470 3.312 3.647 . 0 0 "[ . 1 . 2]" 1
675 1 44 THR HB 1 45 VAL H . . 5.180 3.570 3.299 4.164 . 0 0 "[ . 1 . 2]" 1
676 1 44 THR HB 1 45 VAL QG . . 5.090 4.737 4.697 4.774 . 0 0 "[ . 1 . 2]" 1
677 1 44 THR MG 1 45 VAL H . . 4.060 2.377 1.927 2.717 . 0 0 "[ . 1 . 2]" 1
678 1 44 THR MG 1 45 VAL QG . . 5.010 3.876 3.530 4.333 . 0 0 "[ . 1 . 2]" 1
679 1 45 VAL H 1 45 VAL HB . . 4.040 3.130 2.582 3.813 . 0 0 "[ . 1 . 2]" 1
680 1 45 VAL HA 1 46 GLU H . . 3.210 2.161 2.140 2.397 . 0 0 "[ . 1 . 2]" 1
681 1 45 VAL HA 1 46 GLU QG . . 5.500 5.103 3.725 5.523 0.023 20 0 "[ . 1 . 2]" 1
682 1 45 VAL HB 1 46 GLU H . . 5.240 4.150 2.493 4.372 . 0 0 "[ . 1 . 2]" 1
683 1 45 VAL HB 1 54 PHE HZ . . 5.010 4.386 3.660 4.880 . 0 0 "[ . 1 . 2]" 1
684 1 45 VAL QG 1 46 GLU H . . 4.160 2.730 2.176 2.987 . 0 0 "[ . 1 . 2]" 1
685 1 45 VAL QG 1 46 GLU HB2 . . 4.820 4.188 3.785 4.569 . 0 0 "[ . 1 . 2]" 1
686 1 45 VAL QG 1 46 GLU QG . . 5.220 4.695 2.872 5.066 . 0 0 "[ . 1 . 2]" 1
687 1 45 VAL QG 1 47 SER H . . 5.040 4.805 4.519 5.059 0.019 17 0 "[ . 1 . 2]" 1
688 1 45 VAL QG 1 49 THR H . . 4.900 3.965 3.617 4.308 . 0 0 "[ . 1 . 2]" 1
689 1 45 VAL QG 1 49 THR HB . . 4.160 2.430 1.964 3.511 . 0 0 "[ . 1 . 2]" 1
690 1 45 VAL QG 1 49 THR MG . . 3.860 2.771 1.909 3.304 . 0 0 "[ . 1 . 2]" 1
691 1 45 VAL QG 1 54 PHE QE . . 4.240 1.914 1.804 1.977 . 0 0 "[ . 1 . 2]" 1
692 1 45 VAL QG 1 54 PHE HZ . . 4.570 2.142 1.844 2.937 . 0 0 "[ . 1 . 2]" 1
693 1 45 VAL QG 1 99 PHE QR . . 4.760 3.296 1.740 3.873 . 0 0 "[ . 1 . 2]" 1
694 1 46 GLU H 1 46 GLU HB2 . . 3.760 2.258 2.063 3.585 . 0 0 "[ . 1 . 2]" 1
695 1 46 GLU H 1 46 GLU HB3 . . 4.050 3.120 2.737 3.569 . 0 0 "[ . 1 . 2]" 1
696 1 46 GLU H 1 46 GLU QG . . 4.210 3.359 1.943 3.776 . 0 0 "[ . 1 . 2]" 1
697 1 46 GLU H 1 47 SER H . . 5.370 4.553 4.476 4.630 . 0 0 "[ . 1 . 2]" 1
698 1 46 GLU HA 1 48 GLY H . . 5.500 4.297 3.945 5.028 . 0 0 "[ . 1 . 2]" 1
699 1 46 GLU HB2 1 47 SER H . . 5.390 3.556 1.943 4.211 . 0 0 "[ . 1 . 2]" 1
700 1 46 GLU HB2 1 47 SER QB . . 5.500 5.364 3.901 5.776 0.276 20 0 "[ . 1 . 2]" 1
701 1 46 GLU HB2 1 49 THR H . . 5.500 5.449 3.699 6.392 0.892 6 3 "[ .+ 1 -* . 2]" 1
702 1 46 GLU HB3 1 47 SER H . . 4.750 2.579 2.122 3.432 . 0 0 "[ . 1 . 2]" 1
703 1 46 GLU HB3 1 47 SER QB . . 4.910 4.363 3.825 5.271 0.361 11 0 "[ . 1 . 2]" 1
704 1 46 GLU QG 1 47 SER H . . 5.040 2.637 1.964 3.452 . 0 0 "[ . 1 . 2]" 1
705 1 46 GLU QG 1 47 SER QB . . 5.080 4.124 3.421 4.860 . 0 0 "[ . 1 . 2]" 1
706 1 47 SER H 1 47 SER QB . . 3.820 2.252 2.091 2.369 . 0 0 "[ . 1 . 2]" 1
707 1 47 SER HA 1 49 THR H . . 5.500 4.562 3.867 5.014 . 0 0 "[ . 1 . 2]" 1
708 1 47 SER QB 1 48 GLY H . . 4.800 3.098 2.229 3.515 . 0 0 "[ . 1 . 2]" 1
709 1 47 SER QB 1 49 THR H . . 5.500 5.384 4.919 5.518 0.018 13 0 "[ . 1 . 2]" 1
710 1 48 GLY H 1 49 THR H . . 4.210 3.348 1.942 3.999 . 0 0 "[ . 1 . 2]" 1
711 1 49 THR H 1 49 THR HB . . 3.200 3.047 2.889 3.095 . 0 0 "[ . 1 . 2]" 1
712 1 49 THR H 1 49 THR MG . . 4.220 3.836 2.334 3.992 . 0 0 "[ . 1 . 2]" 1
713 1 49 THR H 1 50 GLU H . . 4.820 4.451 4.332 4.628 . 0 0 "[ . 1 . 2]" 1
714 1 49 THR HA 1 50 GLU H . . 3.030 2.360 2.183 2.691 . 0 0 "[ . 1 . 2]" 1
715 1 49 THR HA 1 50 GLU HG3 . . 5.500 4.592 3.570 5.216 . 0 0 "[ . 1 . 2]" 1
716 1 49 THR HA 1 53 GLU H . . 5.500 5.711 5.310 5.981 0.481 15 0 "[ . 1 . 2]" 1
717 1 49 THR HA 1 53 GLU QB . . 5.320 3.703 3.274 4.004 . 0 0 "[ . 1 . 2]" 1
718 1 49 THR HA 1 53 GLU QG . . 4.530 4.291 3.910 4.372 . 0 0 "[ . 1 . 2]" 1
719 1 49 THR HA 1 54 PHE H . . 5.500 6.702 6.227 7.157 1.657 18 20 [*************-***+**] 1
720 1 49 THR HB 1 50 GLU H . . 4.540 3.344 2.861 3.759 . 0 0 "[ . 1 . 2]" 1
721 1 49 THR MG 1 50 GLU H . . 3.960 2.190 1.901 2.611 . 0 0 "[ . 1 . 2]" 1
722 1 49 THR MG 1 50 GLU HA . . 3.570 4.228 3.398 4.384 0.814 7 19 "[-*****+********** **]" 1
723 1 49 THR MG 1 50 GLU HG3 . . 5.500 5.074 3.699 5.664 0.164 17 0 "[ . 1 . 2]" 1
724 1 49 THR MG 1 51 VAL H . . 5.140 5.298 4.502 5.465 0.325 4 0 "[ . 1 . 2]" 1
725 1 49 THR MG 1 53 GLU QB . . 3.910 1.956 1.838 2.882 . 0 0 "[ . 1 . 2]" 1
726 1 49 THR MG 1 53 GLU QG . . 4.620 2.761 2.460 4.050 . 0 0 "[ . 1 . 2]" 1
727 1 49 THR MG 1 54 PHE H . . 4.660 3.803 3.505 4.224 . 0 0 "[ . 1 . 2]" 1
728 1 49 THR MG 1 54 PHE HA . . 5.500 4.505 4.164 5.313 . 0 0 "[ . 1 . 2]" 1
729 1 49 THR MG 1 54 PHE QD . . 5.350 3.149 2.945 3.696 . 0 0 "[ . 1 . 2]" 1
730 1 49 THR MG 1 54 PHE HZ . . 4.760 3.059 2.095 3.357 . 0 0 "[ . 1 . 2]" 1
731 1 50 GLU H 1 50 GLU HB3 . . 3.920 3.551 3.432 3.716 . 0 0 "[ . 1 . 2]" 1
732 1 50 GLU H 1 50 GLU HG2 . . 4.230 3.824 2.101 4.030 . 0 0 "[ . 1 . 2]" 1
733 1 50 GLU H 1 50 GLU HG3 . . 4.030 3.541 2.629 4.101 0.071 18 0 "[ . 1 . 2]" 1
734 1 50 GLU H 1 51 VAL QG . . 5.500 5.281 5.207 5.353 . 0 0 "[ . 1 . 2]" 1
735 1 50 GLU H 1 52 THR H . . 5.470 4.510 4.379 4.627 . 0 0 "[ . 1 . 2]" 1
736 1 50 GLU H 1 52 THR MG . . 5.370 4.239 4.046 4.398 . 0 0 "[ . 1 . 2]" 1
737 1 50 GLU H 1 53 GLU H . . 4.940 3.459 3.325 3.617 . 0 0 "[ . 1 . 2]" 1
738 1 50 GLU H 1 53 GLU HA . . 5.500 4.906 4.748 5.073 . 0 0 "[ . 1 . 2]" 1
739 1 50 GLU H 1 53 GLU QB . . 3.230 2.134 1.923 2.330 . 0 0 "[ . 1 . 2]" 1
740 1 50 GLU H 1 54 PHE H . . 5.500 4.822 4.472 4.991 . 0 0 "[ . 1 . 2]" 1
741 1 50 GLU HA 1 50 GLU HG2 . . 3.780 2.578 2.095 3.538 . 0 0 "[ . 1 . 2]" 1
742 1 50 GLU HA 1 50 GLU HG3 . . 3.970 3.207 2.649 3.845 . 0 0 "[ . 1 . 2]" 1
743 1 50 GLU HA 1 51 VAL H . . 3.230 2.369 2.294 2.478 . 0 0 "[ . 1 . 2]" 1
744 1 50 GLU HA 1 51 VAL QG . . 3.890 3.494 3.452 3.534 . 0 0 "[ . 1 . 2]" 1
745 1 50 GLU HA 1 53 GLU H . . 4.650 4.465 4.387 4.560 . 0 0 "[ . 1 . 2]" 1
746 1 50 GLU HA 1 53 GLU QB . . 4.660 4.330 4.201 4.429 . 0 0 "[ . 1 . 2]" 1
747 1 50 GLU HA 1 54 PHE QD . . 4.490 5.787 5.735 5.875 1.385 3 20 [**+-****************] 1
748 1 50 GLU HA 1 54 PHE QE . . 4.470 4.400 4.347 4.502 0.032 18 0 "[ . 1 . 2]" 1
749 1 50 GLU HA 1 54 PHE HZ . . 5.030 4.626 4.391 5.011 . 0 0 "[ . 1 . 2]" 1
750 1 50 GLU HA 1 99 PHE QR . . 4.380 3.854 3.008 4.478 0.098 19 0 "[ . 1 . 2]" 1
751 1 50 GLU HB2 1 51 VAL H . . 3.780 3.744 2.661 4.111 0.331 19 0 "[ . 1 . 2]" 1
752 1 50 GLU HB2 1 51 VAL HA . . 5.500 5.404 4.717 5.705 0.205 17 0 "[ . 1 . 2]" 1
753 1 50 GLU HB2 1 52 THR H . . 5.500 3.149 2.243 3.606 . 0 0 "[ . 1 . 2]" 1
754 1 50 GLU HB2 1 52 THR MG . . 3.990 2.529 1.993 2.869 . 0 0 "[ . 1 . 2]" 1
755 1 50 GLU HB2 1 53 GLU H . . 5.450 2.992 2.530 3.265 . 0 0 "[ . 1 . 2]" 1
756 1 50 GLU HB3 1 51 VAL H . . 4.560 2.695 2.383 3.559 . 0 0 "[ . 1 . 2]" 1
757 1 50 GLU HB3 1 51 VAL QG . . 5.500 4.082 3.707 4.732 . 0 0 "[ . 1 . 2]" 1
758 1 50 GLU HB3 1 52 THR H . . 4.330 2.465 2.100 3.964 . 0 0 "[ . 1 . 2]" 1
759 1 50 GLU HB3 1 53 GLU H . . 5.030 3.327 2.828 4.296 . 0 0 "[ . 1 . 2]" 1
760 1 50 GLU HG2 1 51 VAL QG . . 5.500 4.925 4.593 5.866 0.366 4 0 "[ . 1 . 2]" 1
761 1 50 GLU HG3 1 51 VAL H . . 4.760 4.684 4.442 4.826 0.066 19 0 "[ . 1 . 2]" 1
762 1 50 GLU HG3 1 52 THR H . . 4.950 4.896 3.123 5.138 0.188 13 0 "[ . 1 . 2]" 1
763 1 50 GLU HG3 1 53 GLU H . . 5.210 5.035 1.865 5.376 0.166 18 0 "[ . 1 . 2]" 1
764 1 51 VAL H 1 51 VAL HB . . 3.450 2.709 2.686 2.744 . 0 0 "[ . 1 . 2]" 1
765 1 51 VAL H 1 51 VAL QG . . 3.820 1.999 1.830 2.083 . 0 0 "[ . 1 . 2]" 1
766 1 51 VAL H 1 52 THR H . . 3.820 2.617 2.547 2.668 . 0 0 "[ . 1 . 2]" 1
767 1 51 VAL H 1 52 THR MG . . 4.660 3.685 3.575 3.813 . 0 0 "[ . 1 . 2]" 1
768 1 51 VAL H 1 53 GLU H . . 5.060 4.145 4.090 4.176 . 0 0 "[ . 1 . 2]" 1
769 1 51 VAL H 1 54 PHE QE . . 4.900 3.973 3.819 4.135 . 0 0 "[ . 1 . 2]" 1
770 1 51 VAL H 1 54 PHE HZ . . 5.060 5.317 5.100 5.480 0.420 18 0 "[ . 1 . 2]" 1
771 1 51 VAL H 1 55 ALA MB . . 5.500 6.853 6.782 6.920 1.420 18 20 [*-***************+**] 1
772 1 51 VAL H 1 99 PHE QR . . 5.500 3.657 2.640 4.396 . 0 0 "[ . 1 . 2]" 1
773 1 51 VAL HA 1 52 THR MG . . 5.100 4.874 4.842 4.897 . 0 0 "[ . 1 . 2]" 1
774 1 51 VAL HA 1 53 GLU H . . 4.580 4.139 4.008 4.275 . 0 0 "[ . 1 . 2]" 1
775 1 51 VAL HA 1 54 PHE H . . 5.500 3.879 3.816 3.953 . 0 0 "[ . 1 . 2]" 1
776 1 51 VAL HA 1 54 PHE QD . . 4.540 2.215 2.146 2.321 . 0 0 "[ . 1 . 2]" 1
777 1 51 VAL HA 1 54 PHE QE . . 4.350 2.122 1.967 2.248 . 0 0 "[ . 1 . 2]" 1
778 1 51 VAL HA 1 54 PHE HZ . . 4.100 4.273 4.191 4.318 0.218 13 0 "[ . 1 . 2]" 1
779 1 51 VAL HB 1 52 THR H . . 4.810 3.204 3.100 3.294 . 0 0 "[ . 1 . 2]" 1
780 1 51 VAL HB 1 52 THR MG . . 5.500 4.290 4.243 4.309 . 0 0 "[ . 1 . 2]" 1
781 1 51 VAL HB 1 54 PHE QE . . 5.500 4.890 4.779 4.972 . 0 0 "[ . 1 . 2]" 1
782 1 51 VAL HB 1 55 ALA MB . . 5.220 5.935 5.795 6.084 0.864 7 20 [*-****+*************] 1
783 1 51 VAL HB 1 90 LEU QB . . 4.300 5.032 4.036 5.797 1.497 12 14 "[ * *****1*+* .*-***]" 1
784 1 51 VAL HB 1 97 GLU HB3 . . 4.610 4.203 3.119 5.351 0.741 14 4 "[ . 1 -+. * *]" 1
785 1 51 VAL HB 1 99 PHE QR . . 5.160 4.581 3.964 5.092 . 0 0 "[ . 1 . 2]" 1
786 1 51 VAL QG 1 52 THR H . . 4.640 3.511 3.482 3.531 . 0 0 "[ . 1 . 2]" 1
787 1 51 VAL QG 1 52 THR HA . . 5.010 3.886 3.766 3.997 . 0 0 "[ . 1 . 2]" 1
788 1 51 VAL QG 1 52 THR MG . . 4.280 4.260 4.225 4.284 0.004 9 0 "[ . 1 . 2]" 1
789 1 51 VAL QG 1 53 GLU H . . 4.890 4.628 4.546 4.706 . 0 0 "[ . 1 . 2]" 1
790 1 51 VAL QG 1 54 PHE QE . . 4.280 2.821 2.788 2.895 . 0 0 "[ . 1 . 2]" 1
791 1 51 VAL QG 1 54 PHE HZ . . 4.840 4.478 4.391 4.517 . 0 0 "[ . 1 . 2]" 1
792 1 51 VAL QG 1 55 ALA H . . 5.390 5.067 5.035 5.104 . 0 0 "[ . 1 . 2]" 1
793 1 51 VAL QG 1 55 ALA HA . . 5.500 6.056 5.954 6.232 0.732 3 12 "[ + -** 1****.*** *]" 1
794 1 51 VAL QG 1 55 ALA MB . . 4.690 4.562 4.371 4.754 0.064 7 0 "[ . 1 . 2]" 1
795 1 51 VAL QG 1 90 LEU H . . 4.970 3.899 3.023 4.720 . 0 0 "[ . 1 . 2]" 1
796 1 51 VAL QG 1 90 LEU QB . . 5.500 2.517 1.859 3.158 . 0 0 "[ . 1 . 2]" 1
797 1 51 VAL QG 1 90 LEU QD . . 5.040 2.615 1.926 2.861 . 0 0 "[ . 1 . 2]" 1
798 1 51 VAL QG 1 91 PHE H . . 5.500 5.192 4.238 5.755 0.255 6 0 "[ . 1 . 2]" 1
799 1 51 VAL QG 1 97 GLU H . . 5.250 4.564 4.275 4.804 . 0 0 "[ . 1 . 2]" 1
800 1 51 VAL QG 1 97 GLU HB2 . . 5.500 3.775 3.160 4.255 . 0 0 "[ . 1 . 2]" 1
801 1 51 VAL QG 1 97 GLU HB3 . . 5.450 2.746 1.862 3.464 . 0 0 "[ . 1 . 2]" 1
802 1 51 VAL QG 1 97 GLU HG2 . . 4.670 1.953 1.872 2.183 . 0 0 "[ . 1 . 2]" 1
803 1 51 VAL QG 1 97 GLU HG3 . . 4.580 2.841 2.063 3.552 . 0 0 "[ . 1 . 2]" 1
804 1 51 VAL QG 1 98 ASN H . . 5.110 3.565 3.209 3.942 . 0 0 "[ . 1 . 2]" 1
805 1 51 VAL QG 1 98 ASN HA . . 4.940 2.455 1.943 2.731 . 0 0 "[ . 1 . 2]" 1
806 1 51 VAL QG 1 98 ASN QB . . 5.500 3.940 3.317 4.159 . 0 0 "[ . 1 . 2]" 1
807 1 51 VAL QG 1 99 PHE H . . 4.120 3.523 1.819 3.732 . 0 0 "[ . 1 . 2]" 1
808 1 51 VAL QG 1 99 PHE QR . . 4.250 1.974 1.822 2.424 . 0 0 "[ . 1 . 2]" 1
809 1 52 THR H 1 52 THR HB . . 3.930 2.894 2.841 2.936 . 0 0 "[ . 1 . 2]" 1
810 1 52 THR H 1 52 THR MG . . 3.480 1.958 1.902 2.054 . 0 0 "[ . 1 . 2]" 1
811 1 52 THR H 1 53 GLU H . . 3.710 2.243 2.190 2.334 . 0 0 "[ . 1 . 2]" 1
812 1 52 THR H 1 53 GLU HA . . 5.300 4.866 4.813 4.938 . 0 0 "[ . 1 . 2]" 1
813 1 52 THR H 1 55 ALA MB . . 5.080 4.942 4.898 5.003 . 0 0 "[ . 1 . 2]" 1
814 1 52 THR HA 1 52 THR MG . . 3.500 3.201 3.191 3.204 . 0 0 "[ . 1 . 2]" 1
815 1 52 THR HA 1 55 ALA H . . 4.170 3.283 3.194 3.351 . 0 0 "[ . 1 . 2]" 1
816 1 52 THR HA 1 55 ALA MB . . 4.190 2.507 2.438 2.596 . 0 0 "[ . 1 . 2]" 1
817 1 52 THR HB 1 53 GLU H . . 4.360 4.172 4.117 4.254 . 0 0 "[ . 1 . 2]" 1
818 1 52 THR HB 1 55 ALA MB . . 5.020 4.341 4.253 4.459 . 0 0 "[ . 1 . 2]" 1
819 1 52 THR MG 1 53 GLU H . . 4.370 2.293 2.233 2.390 . 0 0 "[ . 1 . 2]" 1
820 1 53 GLU H 1 53 GLU QB . . 3.880 2.090 2.063 2.146 . 0 0 "[ . 1 . 2]" 1
821 1 53 GLU H 1 53 GLU QG . . 4.110 3.804 3.188 3.895 . 0 0 "[ . 1 . 2]" 1
822 1 53 GLU H 1 54 PHE H . . 3.500 2.611 2.545 2.678 . 0 0 "[ . 1 . 2]" 1
823 1 53 GLU H 1 55 ALA H . . 4.850 3.975 3.911 4.073 . 0 0 "[ . 1 . 2]" 1
824 1 53 GLU H 1 55 ALA MB . . 4.930 4.650 4.524 4.778 . 0 0 "[ . 1 . 2]" 1
825 1 53 GLU HA 1 55 ALA MB . . 5.500 4.622 4.445 4.808 . 0 0 "[ . 1 . 2]" 1
826 1 53 GLU QB 1 54 PHE H . . 4.040 2.807 2.671 2.998 . 0 0 "[ . 1 . 2]" 1
827 1 53 GLU QB 1 54 PHE QD . . 4.910 3.531 3.304 3.752 . 0 0 "[ . 1 . 2]" 1
828 1 53 GLU QB 1 55 ALA MB . . 5.270 5.435 5.321 5.565 0.295 3 0 "[ . 1 . 2]" 1
829 1 53 GLU QG 1 55 ALA H . . 5.500 5.394 5.289 5.496 . 0 0 "[ . 1 . 2]" 1
830 1 54 PHE H 1 54 PHE HB2 . . 3.880 2.739 2.711 2.766 . 0 0 "[ . 1 . 2]" 1
831 1 54 PHE H 1 54 PHE HB3 . . 3.890 3.593 3.576 3.630 . 0 0 "[ . 1 . 2]" 1
832 1 54 PHE H 1 54 PHE QD . . 5.110 2.951 2.770 3.029 . 0 0 "[ . 1 . 2]" 1
833 1 54 PHE H 1 54 PHE HZ . . 5.380 5.205 5.138 5.316 . 0 0 "[ . 1 . 2]" 1
834 1 54 PHE H 1 55 ALA H . . 3.870 2.475 2.334 2.588 . 0 0 "[ . 1 . 2]" 1
835 1 54 PHE H 1 56 CYS H . . 5.080 4.133 3.986 4.262 . 0 0 "[ . 1 . 2]" 1
836 1 54 PHE HA 1 54 PHE QD . . 4.060 2.450 2.334 2.643 . 0 0 "[ . 1 . 2]" 1
837 1 54 PHE HA 1 56 CYS H . . 4.870 3.519 3.379 3.798 . 0 0 "[ . 1 . 2]" 1
838 1 54 PHE HA 1 57 VAL H . . 4.180 3.187 2.991 3.478 . 0 0 "[ . 1 . 2]" 1
839 1 54 PHE HA 1 57 VAL HB . . 5.500 2.986 2.072 3.598 . 0 0 "[ . 1 . 2]" 1
840 1 54 PHE HA 1 57 VAL QG . . 5.320 2.177 1.859 3.113 . 0 0 "[ . 1 . 2]" 1
841 1 54 PHE HA 1 58 VAL H . . 5.300 3.879 3.524 4.480 . 0 0 "[ . 1 . 2]" 1
842 1 54 PHE HB3 1 55 ALA H . . 4.570 4.203 4.050 4.294 . 0 0 "[ . 1 . 2]" 1
843 1 54 PHE QD 1 57 VAL HB . . 5.500 4.357 3.541 4.847 . 0 0 "[ . 1 . 2]" 1
844 1 54 PHE QD 1 58 VAL HB . . 5.490 6.440 5.898 6.959 1.469 4 18 "[ **+**********.***-*]" 1
845 1 54 PHE QD 1 58 VAL QG . . 4.620 4.103 3.665 4.494 . 0 0 "[ . 1 . 2]" 1
846 1 54 PHE QD 1 90 LEU QD . . 3.880 3.100 2.573 3.580 . 0 0 "[ . 1 . 2]" 1
847 1 54 PHE QE 1 90 LEU QD . . 4.560 4.720 4.236 5.164 0.604 13 2 "[- . 1 + . 2]" 1
848 1 54 PHE QE 1 99 PHE H . . 5.240 4.824 4.273 5.118 . 0 0 "[ . 1 . 2]" 1
849 1 54 PHE QE 1 99 PHE QR . . 2.720 2.573 1.946 2.682 . 0 0 "[ . 1 . 2]" 1
850 1 54 PHE HZ 1 99 PHE QR . . 4.280 3.558 1.976 3.823 . 0 0 "[ . 1 . 2]" 1
851 1 55 ALA H 1 55 ALA MB . . 3.500 2.059 2.024 2.143 . 0 0 "[ . 1 . 2]" 1
852 1 55 ALA H 1 56 CYS H . . 3.800 2.565 2.402 2.691 . 0 0 "[ . 1 . 2]" 1
853 1 55 ALA H 1 90 LEU QD . . 4.520 3.172 2.337 3.872 . 0 0 "[ . 1 . 2]" 1
854 1 55 ALA HA 1 57 VAL H . . 5.310 3.931 3.762 4.134 . 0 0 "[ . 1 . 2]" 1
855 1 55 ALA HA 1 58 VAL QG . . 5.500 3.710 2.397 3.974 . 0 0 "[ . 1 . 2]" 1
856 1 55 ALA HA 1 90 LEU QD . . 4.180 2.837 2.369 3.614 . 0 0 "[ . 1 . 2]" 1
857 1 55 ALA MB 1 56 CYS H . . 4.090 3.160 2.969 3.336 . 0 0 "[ . 1 . 2]" 1
858 1 55 ALA MB 1 56 CYS HB3 . . 5.500 5.073 3.919 5.398 . 0 0 "[ . 1 . 2]" 1
859 1 55 ALA MB 1 57 VAL H . . 5.500 4.514 4.379 4.631 . 0 0 "[ . 1 . 2]" 1
860 1 55 ALA MB 1 58 VAL H . . 5.500 5.020 4.865 5.196 . 0 0 "[ . 1 . 2]" 1
861 1 55 ALA MB 1 58 VAL QG . . 5.230 4.613 3.602 4.817 . 0 0 "[ . 1 . 2]" 1
862 1 55 ALA MB 1 59 ALA H . . 5.500 5.246 4.745 5.617 0.117 19 0 "[ . 1 . 2]" 1
863 1 55 ALA MB 1 88 PHE H . . 5.500 3.623 2.782 4.744 . 0 0 "[ . 1 . 2]" 1
864 1 55 ALA MB 1 90 LEU QD . . 3.960 2.625 1.939 3.261 . 0 0 "[ . 1 . 2]" 1
865 1 56 CYS H 1 56 CYS HB2 . . 3.770 2.590 2.334 3.735 . 0 0 "[ . 1 . 2]" 1
866 1 56 CYS H 1 56 CYS HB3 . . 3.570 3.151 2.761 3.500 . 0 0 "[ . 1 . 2]" 1
867 1 56 CYS H 1 57 VAL H . . 3.670 2.125 1.944 2.379 . 0 0 "[ . 1 . 2]" 1
868 1 56 CYS H 1 57 VAL HA . . 5.130 4.714 4.575 4.791 . 0 0 "[ . 1 . 2]" 1
869 1 56 CYS H 1 57 VAL HB . . 4.420 4.177 3.956 4.257 . 0 0 "[ . 1 . 2]" 1
870 1 56 CYS H 1 57 VAL QG . . 5.180 3.437 3.173 3.684 . 0 0 "[ . 1 . 2]" 1
871 1 56 CYS H 1 59 ALA H . . 5.310 4.723 4.439 4.950 . 0 0 "[ . 1 . 2]" 1
872 1 56 CYS H 1 59 ALA MB . . 5.280 4.811 4.621 5.112 . 0 0 "[ . 1 . 2]" 1
873 1 56 CYS HA 1 58 VAL H . . 5.500 4.318 3.959 4.660 . 0 0 "[ . 1 . 2]" 1
874 1 56 CYS HA 1 59 ALA H . . 4.220 3.834 3.695 4.114 . 0 0 "[ . 1 . 2]" 1
875 1 56 CYS HA 1 59 ALA MB . . 4.150 3.184 2.902 3.566 . 0 0 "[ . 1 . 2]" 1
876 1 56 CYS HA 1 60 GLU H . . 5.350 4.686 4.246 5.146 . 0 0 "[ . 1 . 2]" 1
877 1 56 CYS HB2 1 57 VAL H . . 4.560 3.975 3.626 4.368 . 0 0 "[ . 1 . 2]" 1
878 1 56 CYS HB2 1 57 VAL HB . . 5.500 5.505 4.710 6.282 0.782 10 3 "[* . + . - 2]" 1
879 1 56 CYS HB2 1 57 VAL QG . . 5.500 4.600 3.740 5.308 . 0 0 "[ . 1 . 2]" 1
880 1 56 CYS HB2 1 59 ALA MB . . 5.500 5.459 4.946 5.885 0.385 4 0 "[ . 1 . 2]" 1
881 1 56 CYS HB3 1 57 VAL H . . 4.410 3.789 3.267 4.243 . 0 0 "[ . 1 . 2]" 1
882 1 56 CYS HB3 1 57 VAL QG . . 5.500 4.078 2.847 5.440 . 0 0 "[ . 1 . 2]" 1
883 1 57 VAL H 1 57 VAL HB . . 3.430 2.732 2.594 2.930 . 0 0 "[ . 1 . 2]" 1
884 1 57 VAL H 1 57 VAL QG . . 3.760 2.385 2.094 2.786 . 0 0 "[ . 1 . 2]" 1
885 1 57 VAL H 1 58 VAL H . . 3.820 1.975 1.854 2.120 . 0 0 "[ . 1 . 2]" 1
886 1 57 VAL H 1 58 VAL HB . . 5.200 4.385 4.266 5.445 0.245 4 0 "[ . 1 . 2]" 1
887 1 57 VAL H 1 58 VAL QG . . 5.280 3.526 2.894 3.670 . 0 0 "[ . 1 . 2]" 1
888 1 57 VAL H 1 59 ALA H . . 5.360 3.390 3.055 3.736 . 0 0 "[ . 1 . 2]" 1
889 1 57 VAL HA 1 60 GLU H . . 4.230 3.805 3.499 4.049 . 0 0 "[ . 1 . 2]" 1
890 1 57 VAL HA 1 60 GLU QB . . 5.440 3.938 2.722 4.659 . 0 0 "[ . 1 . 2]" 1
891 1 57 VAL HA 1 60 GLU QG . . 5.130 2.668 1.977 3.917 . 0 0 "[ . 1 . 2]" 1
892 1 57 VAL HB 1 58 VAL H . . 3.930 3.534 2.604 4.135 0.205 6 0 "[ . 1 . 2]" 1
893 1 57 VAL QG 1 58 VAL H . . 4.950 2.626 2.025 3.421 . 0 0 "[ . 1 . 2]" 1
894 1 57 VAL QG 1 58 VAL HA . . 5.500 3.340 3.127 3.645 . 0 0 "[ . 1 . 2]" 1
895 1 57 VAL QG 1 58 VAL QG . . 4.820 2.370 1.862 3.229 . 0 0 "[ . 1 . 2]" 1
896 1 57 VAL QG 1 59 ALA H . . 5.500 4.197 3.859 4.854 . 0 0 "[ . 1 . 2]" 1
897 1 58 VAL H 1 58 VAL HB . . 3.740 2.639 2.459 3.632 . 0 0 "[ . 1 . 2]" 1
898 1 58 VAL H 1 58 VAL QG . . 4.040 2.367 1.805 2.592 . 0 0 "[ . 1 . 2]" 1
899 1 58 VAL H 1 59 ALA H . . 3.840 2.280 2.007 2.411 . 0 0 "[ . 1 . 2]" 1
900 1 58 VAL H 1 59 ALA MB . . 5.420 3.903 3.620 4.058 . 0 0 "[ . 1 . 2]" 1
901 1 58 VAL HA 1 60 GLU H . . 5.290 3.913 3.539 4.258 . 0 0 "[ . 1 . 2]" 1
902 1 58 VAL HA 1 61 ALA H . . 4.430 3.586 2.946 4.182 . 0 0 "[ . 1 . 2]" 1
903 1 58 VAL HA 1 61 ALA MB . . 4.720 2.916 2.041 3.862 . 0 0 "[ . 1 . 2]" 1
904 1 58 VAL HA 1 62 VAL H . . 5.270 4.268 3.203 5.054 . 0 0 "[ . 1 . 2]" 1
905 1 58 VAL HA 1 62 VAL QG . . 5.500 3.389 2.651 4.020 . 0 0 "[ . 1 . 2]" 1
906 1 58 VAL HB 1 59 ALA H . . 3.620 3.153 2.488 3.638 0.018 4 0 "[ . 1 . 2]" 1
907 1 58 VAL QG 1 59 ALA H . . 4.690 3.396 1.854 3.628 . 0 0 "[ . 1 . 2]" 1
908 1 58 VAL QG 1 59 ALA MB . . 5.500 3.989 2.863 4.230 . 0 0 "[ . 1 . 2]" 1
909 1 58 VAL QG 1 61 ALA MB . . 5.500 3.645 2.983 4.663 . 0 0 "[ . 1 . 2]" 1
910 1 58 VAL QG 1 62 VAL QG . . 5.500 2.426 1.805 3.450 . 0 0 "[ . 1 . 2]" 1
911 1 58 VAL QG 1 90 LEU QD . . 4.110 2.746 2.465 3.070 . 0 0 "[ . 1 . 2]" 1
912 1 59 ALA H 1 59 ALA MB . . 3.470 2.228 2.063 2.404 . 0 0 "[ . 1 . 2]" 1
913 1 59 ALA H 1 60 GLU H . . 3.720 2.368 2.026 2.733 . 0 0 "[ . 1 . 2]" 1
914 1 59 ALA H 1 60 GLU QB . . 5.500 4.483 3.956 5.183 . 0 0 "[ . 1 . 2]" 1
915 1 59 ALA H 1 88 PHE HB3 . . 5.500 5.460 4.686 6.407 0.907 11 1 "[ . 1+ . 2]" 1
916 1 59 ALA HA 1 62 VAL H . . 4.490 4.022 3.485 4.372 . 0 0 "[ . 1 . 2]" 1
917 1 59 ALA HA 1 62 VAL HB . . 5.410 4.387 2.224 5.016 . 0 0 "[ . 1 . 2]" 1
918 1 59 ALA HA 1 63 VAL H . . 5.290 4.689 3.888 5.111 . 0 0 "[ . 1 . 2]" 1
919 1 59 ALA HA 1 88 PHE QD . . 5.500 3.815 3.192 4.713 . 0 0 "[ . 1 . 2]" 1
920 1 59 ALA HA 1 88 PHE QE . . 5.000 3.449 2.447 4.388 . 0 0 "[ . 1 . 2]" 1
921 1 59 ALA MB 1 60 GLU H . . 3.730 3.030 2.739 3.327 . 0 0 "[ . 1 . 2]" 1
922 1 59 ALA MB 1 60 GLU HA . . 5.400 3.957 3.716 4.117 . 0 0 "[ . 1 . 2]" 1
923 1 59 ALA MB 1 60 GLU QB . . 4.910 4.001 3.719 4.459 . 0 0 "[ . 1 . 2]" 1
924 1 59 ALA MB 1 60 GLU QG . . 5.450 4.081 2.659 4.613 . 0 0 "[ . 1 . 2]" 1
925 1 59 ALA MB 1 61 ALA H . . 5.500 4.749 4.328 5.338 . 0 0 "[ . 1 . 2]" 1
926 1 59 ALA MB 1 62 VAL H . . 5.500 5.016 4.618 5.340 . 0 0 "[ . 1 . 2]" 1
927 1 59 ALA MB 1 63 VAL H . . 5.500 5.294 4.744 5.500 . 0 0 "[ . 1 . 2]" 1
928 1 59 ALA MB 1 63 VAL QG . . 4.230 3.889 3.276 4.218 . 0 0 "[ . 1 . 2]" 1
929 1 59 ALA MB 1 88 PHE H . . 5.500 4.246 3.375 5.157 . 0 0 "[ . 1 . 2]" 1
930 1 59 ALA MB 1 88 PHE HB3 . . 5.040 3.967 3.134 5.000 . 0 0 "[ . 1 . 2]" 1
931 1 59 ALA MB 1 88 PHE QD . . 4.550 3.142 2.198 4.240 . 0 0 "[ . 1 . 2]" 1
932 1 59 ALA MB 1 88 PHE QE . . 4.730 3.505 2.283 4.515 . 0 0 "[ . 1 . 2]" 1
933 1 60 GLU H 1 60 GLU QB . . 3.180 2.671 2.051 2.990 . 0 0 "[ . 1 . 2]" 1
934 1 60 GLU H 1 60 GLU QG . . 4.180 2.284 1.902 3.607 . 0 0 "[ . 1 . 2]" 1
935 1 60 GLU H 1 61 ALA H . . 3.530 2.276 1.924 3.056 . 0 0 "[ . 1 . 2]" 1
936 1 60 GLU H 1 61 ALA MB . . 5.500 3.899 3.561 4.643 . 0 0 "[ . 1 . 2]" 1
937 1 60 GLU H 1 62 VAL H . . 5.080 3.735 3.380 4.108 . 0 0 "[ . 1 . 2]" 1
938 1 60 GLU H 1 63 VAL QG . . 5.480 4.552 4.161 5.021 . 0 0 "[ . 1 . 2]" 1
939 1 60 GLU H 1 64 LYS QE . . 4.920 6.890 4.708 7.946 3.026 19 18 "[**********-**** **+2]" 1
940 1 60 GLU HA 1 62 VAL H . . 5.430 4.075 3.483 5.085 . 0 0 "[ . 1 . 2]" 1
941 1 60 GLU HA 1 63 VAL H . . 4.680 3.592 2.940 4.506 . 0 0 "[ . 1 . 2]" 1
942 1 60 GLU HA 1 63 VAL HB . . 5.500 3.356 2.444 3.760 . 0 0 "[ . 1 . 2]" 1
943 1 60 GLU HA 1 63 VAL QG . . 5.500 2.864 2.218 3.828 . 0 0 "[ . 1 . 2]" 1
944 1 60 GLU QB 1 61 ALA H . . 3.910 3.210 2.175 3.866 . 0 0 "[ . 1 . 2]" 1
945 1 60 GLU QB 1 62 VAL H . . 5.500 4.801 4.246 5.744 0.244 11 0 "[ . 1 . 2]" 1
946 1 60 GLU QB 1 63 VAL QG . . 5.500 4.173 3.576 4.955 . 0 0 "[ . 1 . 2]" 1
947 1 60 GLU QB 1 64 LYS QD . . 4.050 3.998 2.577 5.108 1.058 13 7 "[ ** 1-*+*. *]" 1
948 1 60 GLU QG 1 61 ALA H . . 4.870 2.741 1.884 4.185 . 0 0 "[ . 1 . 2]" 1
949 1 60 GLU QG 1 64 LYS QD . . 5.500 4.589 3.511 6.412 0.912 5 2 "[ + 1 .- 2]" 1
950 1 60 GLU QG 1 64 LYS QE . . 4.060 5.132 2.475 6.337 2.277 7 16 "[******+***** .-***2]" 1
951 1 61 ALA H 1 61 ALA MB . . 3.620 2.200 2.071 2.475 . 0 0 "[ . 1 . 2]" 1
952 1 61 ALA H 1 62 VAL H . . 3.760 2.558 2.039 2.859 . 0 0 "[ . 1 . 2]" 1
953 1 61 ALA H 1 64 LYS QD . . 5.110 4.397 3.241 4.912 . 0 0 "[ . 1 . 2]" 1
954 1 61 ALA HA 1 63 VAL H . . 5.500 4.290 3.685 4.732 . 0 0 "[ . 1 . 2]" 1
955 1 61 ALA HA 1 64 LYS H . . 5.500 4.067 3.489 4.841 . 0 0 "[ . 1 . 2]" 1
956 1 61 ALA HA 1 64 LYS QD . . 4.420 2.378 1.868 4.119 . 0 0 "[ . 1 . 2]" 1
957 1 61 ALA HA 1 64 LYS QE . . 4.490 3.886 1.962 4.905 0.415 3 0 "[ . 1 . 2]" 1
958 1 61 ALA MB 1 62 VAL H . . 4.210 2.918 2.403 3.351 . 0 0 "[ . 1 . 2]" 1
959 1 61 ALA MB 1 62 VAL HA . . 5.500 3.907 3.679 4.110 . 0 0 "[ . 1 . 2]" 1
960 1 62 VAL H 1 62 VAL HB . . 3.500 3.302 2.477 3.712 0.212 2 0 "[ . 1 . 2]" 1
961 1 62 VAL H 1 62 VAL QG . . 4.020 1.950 1.805 2.402 . 0 0 "[ . 1 . 2]" 1
962 1 62 VAL H 1 63 VAL H . . 3.900 2.427 1.916 2.830 . 0 0 "[ . 1 . 2]" 1
963 1 62 VAL H 1 63 VAL HB . . 5.090 4.623 4.193 4.962 . 0 0 "[ . 1 . 2]" 1
964 1 62 VAL H 1 63 VAL QG . . 5.170 3.817 2.985 4.368 . 0 0 "[ . 1 . 2]" 1
965 1 62 VAL H 1 64 LYS H . . 5.170 4.444 3.794 4.981 . 0 0 "[ . 1 . 2]" 1
966 1 62 VAL H 1 64 LYS QD . . 5.500 4.828 3.625 5.657 0.157 20 0 "[ . 1 . 2]" 1
967 1 62 VAL H 1 65 THR HB . . 5.500 5.415 4.538 7.926 2.426 5 5 "[ + 1-** . *2]" 1
968 1 62 VAL HA 1 66 LEU QD . . 5.480 3.082 2.432 4.502 . 0 0 "[ . 1 . 2]" 1
969 1 62 VAL HB 1 63 VAL H . . 3.790 3.411 2.448 3.894 0.104 15 0 "[ . 1 . 2]" 1
970 1 62 VAL HB 1 88 PHE QE . . 5.010 4.351 3.782 4.862 . 0 0 "[ . 1 . 2]" 1
971 1 62 VAL QG 1 63 VAL QG . . 3.290 2.560 1.946 3.496 0.206 10 0 "[ . 1 . 2]" 1
972 1 62 VAL QG 1 83 TRP HE3 . . 5.120 2.725 2.036 3.530 . 0 0 "[ . 1 . 2]" 1
973 1 62 VAL QG 1 83 TRP HZ3 . . 4.830 3.206 1.925 4.245 . 0 0 "[ . 1 . 2]" 1
974 1 62 VAL QG 1 88 PHE QD . . 4.490 3.895 3.577 4.146 . 0 0 "[ . 1 . 2]" 1
975 1 62 VAL QG 1 88 PHE QE . . 4.210 2.712 2.039 3.241 . 0 0 "[ . 1 . 2]" 1
976 1 63 VAL H 1 63 VAL HB . . 3.450 2.511 2.403 2.632 . 0 0 "[ . 1 . 2]" 1
977 1 63 VAL H 1 63 VAL QG . . 3.800 2.144 1.921 2.446 . 0 0 "[ . 1 . 2]" 1
978 1 63 VAL H 1 64 LYS H . . 3.810 2.880 2.625 3.156 . 0 0 "[ . 1 . 2]" 1
979 1 63 VAL H 1 64 LYS QG . . 5.500 3.850 3.474 4.064 . 0 0 "[ . 1 . 2]" 1
980 1 63 VAL H 1 65 THR H . . 5.500 4.009 3.464 4.951 . 0 0 "[ . 1 . 2]" 1
981 1 63 VAL H 1 66 LEU QD . . 5.500 4.697 3.914 5.605 0.105 10 0 "[ . 1 . 2]" 1
982 1 63 VAL HA 1 65 THR H . . 4.330 4.296 3.919 5.044 0.714 19 1 "[ . 1 . +2]" 1
983 1 63 VAL HA 1 66 LEU H . . 4.480 3.446 3.015 3.742 . 0 0 "[ . 1 . 2]" 1
984 1 63 VAL HB 1 64 LYS H . . 3.810 2.345 1.948 3.596 . 0 0 "[ . 1 . 2]" 1
985 1 63 VAL QG 1 64 LYS H . . 4.400 2.945 2.584 3.642 . 0 0 "[ . 1 . 2]" 1
986 1 63 VAL QG 1 64 LYS HA . . 5.500 3.358 3.113 4.009 . 0 0 "[ . 1 . 2]" 1
987 1 63 VAL QG 1 64 LYS QE . . 4.540 4.692 3.285 5.411 0.871 14 6 "[ . *-* * +. * 2]" 1
988 1 63 VAL QG 1 64 LYS QG . . 4.860 4.061 3.509 4.737 . 0 0 "[ . 1 . 2]" 1
989 1 63 VAL QG 1 67 GLN H . . 5.500 5.159 4.290 5.433 . 0 0 "[ . 1 . 2]" 1
990 1 63 VAL QG 1 67 GLN HB2 . . 5.500 4.354 3.585 5.375 . 0 0 "[ . 1 . 2]" 1
991 1 63 VAL QG 1 67 GLN HB3 . . 5.500 4.461 2.221 5.085 . 0 0 "[ . 1 . 2]" 1
992 1 63 VAL QG 1 67 GLN QE . . 4.580 2.725 1.818 3.378 . 0 0 "[ . 1 . 2]" 1
993 1 63 VAL QG 1 67 GLN QG . . 4.450 2.464 1.901 3.384 . 0 0 "[ . 1 . 2]" 1
994 1 63 VAL QG 1 80 LEU QD . . 4.020 1.786 1.571 1.889 . 0 0 "[ . 1 . 2]" 1
995 1 63 VAL QG 1 84 SER HA . . 4.350 2.936 2.561 3.780 . 0 0 "[ . 1 . 2]" 1
996 1 63 VAL QG 1 84 SER QB . . 4.370 2.750 1.930 3.563 . 0 0 "[ . 1 . 2]" 1
997 1 64 LYS H 1 64 LYS HB2 . . 3.750 3.390 2.718 3.709 . 0 0 "[ . 1 . 2]" 1
998 1 64 LYS H 1 64 LYS HB3 . . 3.420 2.936 2.604 3.577 0.157 5 0 "[ . 1 . 2]" 1
999 1 64 LYS H 1 64 LYS QD . . 4.630 2.899 2.289 3.930 . 0 0 "[ . 1 . 2]" 1
1000 1 64 LYS H 1 64 LYS QE . . 4.520 3.953 1.939 4.358 . 0 0 "[ . 1 . 2]" 1
1001 1 64 LYS H 1 64 LYS QG . . 4.430 2.027 1.874 2.188 . 0 0 "[ . 1 . 2]" 1
1002 1 64 LYS H 1 66 LEU H . . 5.390 3.997 3.291 4.258 . 0 0 "[ . 1 . 2]" 1
1003 1 64 LYS HA 1 64 LYS QD . . 4.350 3.892 2.035 4.361 0.011 20 0 "[ . 1 . 2]" 1
1004 1 64 LYS HA 1 64 LYS QE . . 4.690 4.226 2.084 4.483 . 0 0 "[ . 1 . 2]" 1
1005 1 64 LYS HA 1 67 GLN H . . 4.290 4.636 4.365 5.119 0.829 11 5 "[ .* *+ *- 2]" 1
1006 1 64 LYS HA 1 67 GLN HB3 . . 5.430 4.426 4.052 5.154 . 0 0 "[ . 1 . 2]" 1
1007 1 64 LYS HA 1 67 GLN QE . . 5.410 3.375 2.719 4.774 . 0 0 "[ . 1 . 2]" 1
1008 1 64 LYS HA 1 67 GLN QG . . 4.210 2.365 2.023 2.745 . 0 0 "[ . 1 . 2]" 1
1009 1 64 LYS HB2 1 65 THR H . . 4.120 3.425 1.942 4.058 . 0 0 "[ . 1 . 2]" 1
1010 1 64 LYS HB3 1 64 LYS QE . . 3.950 2.593 2.163 3.746 . 0 0 "[ . 1 . 2]" 1
1011 1 64 LYS HB3 1 65 THR H . . 4.360 4.006 3.295 4.425 0.065 18 0 "[ . 1 . 2]" 1
1012 1 64 LYS QE 1 64 LYS QG . . 3.110 2.235 1.964 2.458 . 0 0 "[ . 1 . 2]" 1
1013 1 64 LYS QG 1 67 GLN QE . . 5.500 5.570 4.269 6.952 1.452 2 4 "[ + . 1 * .* - 2]" 1
1014 1 65 THR H 1 65 THR MG . . 4.480 3.591 2.196 3.907 . 0 0 "[ . 1 . 2]" 1
1015 1 65 THR H 1 66 LEU H . . 3.800 2.431 1.880 2.744 . 0 0 "[ . 1 . 2]" 1
1016 1 65 THR H 1 66 LEU QD . . 5.500 3.939 3.019 5.111 . 0 0 "[ . 1 . 2]" 1
1017 1 65 THR MG 1 66 LEU H . . 4.860 3.822 2.978 4.351 . 0 0 "[ . 1 . 2]" 1
1018 1 66 LEU H 1 66 LEU HB2 . . 3.900 2.461 2.207 2.747 . 0 0 "[ . 1 . 2]" 1
1019 1 66 LEU H 1 66 LEU QD . . 4.630 2.812 2.103 3.890 . 0 0 "[ . 1 . 2]" 1
1020 1 66 LEU H 1 67 GLN H . . 3.680 3.130 2.421 3.461 . 0 0 "[ . 1 . 2]" 1
1021 1 66 LEU H 1 67 GLN HB2 . . 5.450 4.548 4.152 5.643 0.193 12 0 "[ . 1 . 2]" 1
1022 1 66 LEU H 1 67 GLN QG . . 5.200 3.695 2.655 4.333 . 0 0 "[ . 1 . 2]" 1
1023 1 66 LEU H 1 80 LEU QD . . 5.360 4.014 3.599 4.635 . 0 0 "[ . 1 . 2]" 1
1024 1 66 LEU HA 1 69 VAL H . . 5.040 5.731 5.687 5.794 0.754 14 20 [****-********+******] 1
1025 1 66 LEU HA 1 69 VAL QG . . 4.880 6.187 5.766 6.317 1.437 10 20 [*********+*******-**] 1
1026 1 66 LEU HB3 1 67 GLN H . . 4.770 4.324 4.248 4.387 . 0 0 "[ . 1 . 2]" 1
1027 1 66 LEU QD 1 67 GLN H . . 4.890 4.258 3.827 4.670 . 0 0 "[ . 1 . 2]" 1
1028 1 66 LEU QD 1 69 VAL QG . . 4.110 5.743 4.840 6.305 2.195 19 20 [**************-***+*] 1
1029 1 66 LEU QD 1 83 TRP HH2 . . 5.030 2.267 1.912 3.574 . 0 0 "[ . 1 . 2]" 1
1030 1 66 LEU QD 1 83 TRP HZ3 . . 4.680 2.127 1.813 2.951 . 0 0 "[ . 1 . 2]" 1
1031 1 67 GLN H 1 67 GLN HB2 . . 3.440 2.727 2.503 3.816 0.376 12 0 "[ . 1 . 2]" 1
1032 1 67 GLN H 1 67 GLN HB3 . . 3.740 3.603 3.057 3.833 0.093 15 0 "[ . 1 . 2]" 1
1033 1 67 GLN H 1 67 GLN QG . . 4.150 3.174 1.872 3.540 . 0 0 "[ . 1 . 2]" 1
1034 1 67 GLN H 1 68 PRO QG . . 5.280 4.056 4.030 4.088 . 0 0 "[ . 1 . 2]" 1
1035 1 67 GLN H 1 69 VAL H . . 5.500 5.164 4.862 5.202 . 0 0 "[ . 1 . 2]" 1
1036 1 67 GLN H 1 80 LEU QD . . 5.240 4.311 3.886 4.559 . 0 0 "[ . 1 . 2]" 1
1037 1 67 GLN HA 1 69 VAL H . . 4.850 3.933 3.324 4.029 . 0 0 "[ . 1 . 2]" 1
1038 1 67 GLN HA 1 71 ASP H . . 5.500 6.415 6.157 6.715 1.215 20 20 [*****************-*+] 1
1039 1 67 GLN HA 1 80 LEU QD . . 5.050 2.989 2.369 3.389 . 0 0 "[ . 1 . 2]" 1
1040 1 67 GLN HB2 1 80 LEU QD . . 5.500 4.018 2.679 4.328 . 0 0 "[ . 1 . 2]" 1
1041 1 67 GLN HB3 1 68 PRO HA . . 5.500 5.092 4.818 6.054 0.554 5 3 "[ + 1 - . * 2]" 1
1042 1 67 GLN HB3 1 80 LEU QD . . 5.500 3.800 1.976 4.328 . 0 0 "[ . 1 . 2]" 1
1043 1 67 GLN QE 1 80 LEU QD . . 5.500 3.069 1.840 3.774 . 0 0 "[ . 1 . 2]" 1
1044 1 67 GLN QG 1 68 PRO HA . . 5.500 5.836 4.116 6.140 0.640 6 16 "[*-**.+***** **.** **]" 1
1045 1 67 GLN QG 1 68 PRO QB . . 5.500 6.167 4.909 6.420 0.920 11 17 "[****.*****+ **-** **]" 1
1046 1 67 GLN QG 1 69 VAL H . . 5.500 5.843 5.473 6.015 0.515 10 2 "[ .- + . 2]" 1
1047 1 67 GLN QG 1 80 LEU QD . . 4.790 2.135 1.848 3.590 . 0 0 "[ . 1 . 2]" 1
1048 1 68 PRO HA 1 69 VAL QG . . 5.500 3.723 3.637 3.860 . 0 0 "[ . 1 . 2]" 1
1049 1 68 PRO QB 1 69 VAL QG . . 5.500 2.337 2.142 2.606 . 0 0 "[ . 1 . 2]" 1
1050 1 68 PRO HD2 1 69 VAL QG . . 5.500 4.137 3.634 4.260 . 0 0 "[ . 1 . 2]" 1
1051 1 68 PRO QG 1 69 VAL H . . 5.500 1.959 1.890 2.520 . 0 0 "[ . 1 . 2]" 1
1052 1 68 PRO QG 1 69 VAL QG . . 5.500 2.506 2.201 2.603 . 0 0 "[ . 1 . 2]" 1
1053 1 69 VAL H 1 69 VAL QG . . 3.680 2.337 2.117 2.386 . 0 0 "[ . 1 . 2]" 1
1054 1 69 VAL H 1 70 SER H . . 3.490 2.951 2.669 3.149 . 0 0 "[ . 1 . 2]" 1
1055 1 69 VAL HA 1 71 ASP H . . 4.780 3.070 2.975 3.263 . 0 0 "[ . 1 . 2]" 1
1056 1 69 VAL HA 1 72 LEU H . . 4.320 4.425 4.166 4.562 0.242 20 0 "[ . 1 . 2]" 1
1057 1 69 VAL HA 1 72 LEU HG . . 5.500 5.242 4.637 5.511 0.011 20 0 "[ . 1 . 2]" 1
1058 1 69 VAL QG 1 70 SER H . . 4.420 3.719 3.670 3.744 . 0 0 "[ . 1 . 2]" 1
1059 1 69 VAL QG 1 71 ASP H . . 5.500 3.972 3.856 4.080 . 0 0 "[ . 1 . 2]" 1
1060 1 69 VAL QG 1 72 LEU H . . 5.100 3.766 3.385 4.002 . 0 0 "[ . 1 . 2]" 1
1061 1 69 VAL QG 1 73 LEU H . . 5.410 4.283 3.632 4.995 . 0 0 "[ . 1 . 2]" 1
1062 1 69 VAL QG 1 73 LEU QD . . 3.930 2.975 2.306 3.441 . 0 0 "[ . 1 . 2]" 1
1063 1 70 SER H 1 70 SER QB . . 3.510 2.789 2.389 2.935 . 0 0 "[ . 1 . 2]" 1
1064 1 70 SER H 1 71 ASP H . . 3.910 2.627 2.528 2.728 . 0 0 "[ . 1 . 2]" 1
1065 1 70 SER H 1 71 ASP QB . . 4.970 4.649 4.295 4.943 . 0 0 "[ . 1 . 2]" 1
1066 1 70 SER HA 1 72 LEU H . . 5.140 3.470 3.332 3.662 . 0 0 "[ . 1 . 2]" 1
1067 1 70 SER HA 1 73 LEU QD . . 4.570 2.118 1.810 2.538 . 0 0 "[ . 1 . 2]" 1
1068 1 70 SER HA 1 73 LEU HG . . 5.500 3.041 1.973 4.703 . 0 0 "[ . 1 . 2]" 1
1069 1 70 SER QB 1 71 ASP H . . 4.240 3.457 3.071 3.751 . 0 0 "[ . 1 . 2]" 1
1070 1 70 SER QB 1 72 LEU H . . 4.790 4.576 4.476 4.626 . 0 0 "[ . 1 . 2]" 1
1071 1 70 SER QB 1 73 LEU H . . 4.220 4.419 4.139 4.642 0.422 20 0 "[ . 1 . 2]" 1
1072 1 70 SER QB 1 74 THR H . . 4.590 4.293 3.760 4.476 . 0 0 "[ . 1 . 2]" 1
1073 1 70 SER QB 1 80 LEU HB3 . . 5.470 3.092 2.277 4.454 . 0 0 "[ . 1 . 2]" 1
1074 1 71 ASP H 1 71 ASP QB . . 3.500 2.413 2.045 2.647 . 0 0 "[ . 1 . 2]" 1
1075 1 71 ASP H 1 72 LEU H . . 3.530 2.642 2.508 2.762 . 0 0 "[ . 1 . 2]" 1
1076 1 71 ASP H 1 72 LEU QB . . 5.090 4.632 4.486 4.760 . 0 0 "[ . 1 . 2]" 1
1077 1 71 ASP H 1 72 LEU QD . . 5.500 4.593 4.314 4.912 . 0 0 "[ . 1 . 2]" 1
1078 1 71 ASP H 1 72 LEU HG . . 5.010 4.588 4.372 4.823 . 0 0 "[ . 1 . 2]" 1
1079 1 71 ASP H 1 73 LEU H . . 4.940 4.239 3.971 4.600 . 0 0 "[ . 1 . 2]" 1
1080 1 71 ASP H 1 74 THR H . . 5.500 5.081 4.877 5.224 . 0 0 "[ . 1 . 2]" 1
1081 1 71 ASP HA 1 74 THR H . . 4.280 4.030 3.695 4.161 . 0 0 "[ . 1 . 2]" 1
1082 1 71 ASP HA 1 74 THR MG . . 5.260 4.756 4.319 4.968 . 0 0 "[ . 1 . 2]" 1
1083 1 71 ASP QB 1 72 LEU H . . 3.760 3.269 2.934 3.740 . 0 0 "[ . 1 . 2]" 1
1084 1 71 ASP QB 1 72 LEU QD . . 5.460 4.349 3.572 5.087 . 0 0 "[ . 1 . 2]" 1
1085 1 71 ASP QB 1 72 LEU HG . . 5.500 4.621 3.196 5.762 0.262 10 0 "[ . 1 . 2]" 1
1086 1 71 ASP QB 1 73 LEU H . . 4.870 5.093 4.718 5.672 0.802 20 3 "[ * . 1 . -+]" 1
1087 1 72 LEU H 1 72 LEU QB . . 3.390 2.495 2.291 2.676 . 0 0 "[ . 1 . 2]" 1
1088 1 72 LEU H 1 72 LEU QD . . 4.010 3.196 3.041 3.533 . 0 0 "[ . 1 . 2]" 1
1089 1 72 LEU H 1 72 LEU HG . . 3.360 2.554 2.315 3.127 . 0 0 "[ . 1 . 2]" 1
1090 1 72 LEU H 1 73 LEU H . . 3.390 2.232 2.046 2.510 . 0 0 "[ . 1 . 2]" 1
1091 1 72 LEU H 1 74 THR H . . 5.030 3.815 3.659 4.079 . 0 0 "[ . 1 . 2]" 1
1092 1 72 LEU HA 1 72 LEU QD . . 4.000 2.869 2.002 3.368 . 0 0 "[ . 1 . 2]" 1
1093 1 72 LEU HA 1 73 LEU HA . . 5.320 4.803 4.611 4.865 . 0 0 "[ . 1 . 2]" 1
1094 1 72 LEU HA 1 74 THR H . . 5.100 4.209 3.995 4.619 . 0 0 "[ . 1 . 2]" 1
1095 1 72 LEU HA 1 75 ASN H . . 4.530 3.505 3.193 3.974 . 0 0 "[ . 1 . 2]" 1
1096 1 72 LEU HA 1 75 ASN QB . . 5.500 3.145 2.330 4.409 . 0 0 "[ . 1 . 2]" 1
1097 1 72 LEU HA 1 75 ASN QD . . 4.950 2.389 1.915 3.364 . 0 0 "[ . 1 . 2]" 1
1098 1 72 LEU QB 1 73 LEU H . . 5.500 3.091 2.319 3.786 . 0 0 "[ . 1 . 2]" 1
1099 1 72 LEU QD 1 73 LEU H . . 4.910 3.275 2.596 4.158 . 0 0 "[ . 1 . 2]" 1
1100 1 72 LEU QD 1 73 LEU QD . . 3.880 2.522 1.760 3.607 . 0 0 "[ . 1 . 2]" 1
1101 1 72 LEU QD 1 75 ASN QD . . 5.420 3.221 2.289 4.143 . 0 0 "[ . 1 . 2]" 1
1102 1 72 LEU QD 1 76 MET ME . . 4.240 2.449 1.791 3.444 . 0 0 "[ . 1 . 2]" 1
1103 1 72 LEU QD 1 76 MET QG . . 4.840 3.538 3.074 4.078 . 0 0 "[ . 1 . 2]" 1
1104 1 72 LEU HG 1 73 LEU H . . 5.190 3.103 1.934 4.667 . 0 0 "[ . 1 . 2]" 1
1105 1 73 LEU H 1 73 LEU HB2 . . 3.470 2.581 2.307 2.794 . 0 0 "[ . 1 . 2]" 1
1106 1 73 LEU H 1 73 LEU HB3 . . 4.160 3.578 3.552 3.677 . 0 0 "[ . 1 . 2]" 1
1107 1 73 LEU H 1 73 LEU QD . . 4.610 2.381 1.743 3.185 . 0 0 "[ . 1 . 2]" 1
1108 1 73 LEU H 1 73 LEU HG . . 3.480 2.619 1.942 3.795 0.315 20 0 "[ . 1 . 2]" 1
1109 1 73 LEU H 1 74 THR H . . 3.760 2.665 2.153 2.908 . 0 0 "[ . 1 . 2]" 1
1110 1 73 LEU H 1 75 ASN H . . 4.880 4.023 3.849 4.146 . 0 0 "[ . 1 . 2]" 1
1111 1 73 LEU H 1 76 MET ME . . 4.590 3.636 2.808 4.263 . 0 0 "[ . 1 . 2]" 1
1112 1 73 LEU HA 1 73 LEU QD . . 4.090 2.339 1.883 2.968 . 0 0 "[ . 1 . 2]" 1
1113 1 73 LEU HA 1 76 MET H . . 4.150 3.302 2.895 3.604 . 0 0 "[ . 1 . 2]" 1
1114 1 73 LEU HA 1 76 MET QG . . 5.500 2.697 1.917 3.656 . 0 0 "[ . 1 . 2]" 1
1115 1 73 LEU HB2 1 74 THR H . . 3.980 2.728 2.373 3.066 . 0 0 "[ . 1 . 2]" 1
1116 1 73 LEU HB2 1 78 ILE MD . . 5.040 4.833 4.465 5.008 . 0 0 "[ . 1 . 2]" 1
1117 1 73 LEU HB3 1 74 THR H . . 4.270 3.765 3.253 4.180 . 0 0 "[ . 1 . 2]" 1
1118 1 73 LEU HB3 1 78 ILE H . . 4.820 3.954 3.531 4.195 . 0 0 "[ . 1 . 2]" 1
1119 1 73 LEU HB3 1 78 ILE MD . . 5.500 3.396 2.979 3.649 . 0 0 "[ . 1 . 2]" 1
1120 1 73 LEU QD 1 74 THR H . . 5.500 3.900 3.447 4.184 . 0 0 "[ . 1 . 2]" 1
1121 1 73 LEU QD 1 75 ASN QD . . 5.500 5.365 4.728 6.139 0.639 2 1 "[ + . 1 . 2]" 1
1122 1 73 LEU QD 1 76 MET H . . 5.480 4.918 4.537 5.215 . 0 0 "[ . 1 . 2]" 1
1123 1 73 LEU QD 1 76 MET ME . . 3.310 2.149 1.776 2.904 . 0 0 "[ . 1 . 2]" 1
1124 1 73 LEU QD 1 76 MET QG . . 5.140 3.904 3.222 4.547 . 0 0 "[ . 1 . 2]" 1
1125 1 73 LEU QD 1 78 ILE H . . 5.300 4.713 4.419 5.030 . 0 0 "[ . 1 . 2]" 1
1126 1 73 LEU QD 1 78 ILE QG . . 5.500 4.059 3.503 4.434 . 0 0 "[ . 1 . 2]" 1
1127 1 73 LEU QD 1 78 ILE MG . . 4.500 2.305 1.892 3.410 . 0 0 "[ . 1 . 2]" 1
1128 1 73 LEU QD 1 83 TRP HZ2 . . 5.010 4.185 3.418 5.353 0.343 20 0 "[ . 1 . 2]" 1
1129 1 73 LEU HG 1 78 ILE MG . . 5.500 4.126 3.060 4.794 . 0 0 "[ . 1 . 2]" 1
1130 1 74 THR H 1 74 THR HB . . 3.300 2.976 2.597 3.200 . 0 0 "[ . 1 . 2]" 1
1131 1 74 THR H 1 74 THR MG . . 4.020 3.629 3.461 3.767 . 0 0 "[ . 1 . 2]" 1
1132 1 74 THR H 1 75 ASN H . . 3.640 2.600 2.470 2.756 . 0 0 "[ . 1 . 2]" 1
1133 1 74 THR H 1 75 ASN QB . . 5.060 4.553 4.134 4.907 . 0 0 "[ . 1 . 2]" 1
1134 1 74 THR H 1 76 MET H . . 5.190 4.086 3.911 4.260 . 0 0 "[ . 1 . 2]" 1
1135 1 74 THR H 1 78 ILE MD . . 5.040 6.311 5.737 6.837 1.797 5 20 [****+******-********] 1
1136 1 74 THR HA 1 74 THR MG . . 3.690 2.089 1.958 2.280 . 0 0 "[ . 1 . 2]" 1
1137 1 74 THR HA 1 77 GLY H . . 4.660 3.562 3.052 4.469 . 0 0 "[ . 1 . 2]" 1
1138 1 74 THR HA 1 78 ILE H . . 4.470 3.973 2.843 4.357 . 0 0 "[ . 1 . 2]" 1
1139 1 74 THR HA 1 78 ILE HA . . 4.240 5.181 4.699 5.507 1.267 5 19 "[****+***-** ********]" 1
1140 1 74 THR HA 1 79 ASP H . . 5.500 4.859 4.177 5.362 . 0 0 "[ . 1 . 2]" 1
1141 1 74 THR HB 1 75 ASN H . . 3.780 3.199 2.787 3.636 . 0 0 "[ . 1 . 2]" 1
1142 1 74 THR HB 1 75 ASN QB . . 5.480 4.369 3.833 5.049 . 0 0 "[ . 1 . 2]" 1
1143 1 74 THR HB 1 76 MET H . . 5.320 5.104 4.878 5.223 . 0 0 "[ . 1 . 2]" 1
1144 1 74 THR MG 1 75 ASN H . . 4.660 4.194 3.838 4.366 . 0 0 "[ . 1 . 2]" 1
1145 1 74 THR MG 1 75 ASN HA . . 5.500 4.458 3.847 4.909 . 0 0 "[ . 1 . 2]" 1
1146 1 74 THR MG 1 75 ASN QB . . 5.500 5.135 4.494 5.724 0.224 17 0 "[ . 1 . 2]" 1
1147 1 74 THR MG 1 76 MET H . . 5.500 5.216 5.029 5.440 . 0 0 "[ . 1 . 2]" 1
1148 1 74 THR MG 1 77 GLY H . . 5.500 4.806 4.455 5.287 . 0 0 "[ . 1 . 2]" 1
1149 1 74 THR MG 1 78 ILE MG . . 5.500 5.533 4.968 5.927 0.427 14 0 "[ . 1 . 2]" 1
1150 1 74 THR MG 1 79 ASP H . . 5.260 5.011 4.644 5.102 . 0 0 "[ . 1 . 2]" 1
1151 1 75 ASN H 1 75 ASN QB . . 3.220 2.396 2.098 3.067 . 0 0 "[ . 1 . 2]" 1
1152 1 75 ASN H 1 75 ASN QD . . 5.500 3.422 2.955 4.121 . 0 0 "[ . 1 . 2]" 1
1153 1 75 ASN H 1 76 MET H . . 3.790 2.308 2.073 2.464 . 0 0 "[ . 1 . 2]" 1
1154 1 75 ASN H 1 76 MET QG . . 5.120 3.770 3.139 4.762 . 0 0 "[ . 1 . 2]" 1
1155 1 75 ASN HA 1 77 GLY H . . 4.590 4.107 3.391 4.417 . 0 0 "[ . 1 . 2]" 1
1156 1 75 ASN QB 1 76 MET H . . 3.930 3.263 2.758 3.800 . 0 0 "[ . 1 . 2]" 1
1157 1 75 ASN QB 1 76 MET HA . . 5.500 4.421 3.940 4.803 . 0 0 "[ . 1 . 2]" 1
1158 1 75 ASN QB 1 77 GLY H . . 5.500 4.846 4.456 5.272 . 0 0 "[ . 1 . 2]" 1
1159 1 76 MET H 1 76 MET ME . . 4.280 3.720 3.436 4.089 . 0 0 "[ . 1 . 2]" 1
1160 1 76 MET H 1 76 MET QG . . 3.840 2.359 1.912 3.413 . 0 0 "[ . 1 . 2]" 1
1161 1 76 MET HA 1 76 MET ME . . 5.500 4.682 4.275 4.956 . 0 0 "[ . 1 . 2]" 1
1162 1 76 MET HB2 1 77 GLY H . . 4.740 3.690 2.871 4.214 . 0 0 "[ . 1 . 2]" 1
1163 1 76 MET HB2 1 78 ILE MD . . 5.500 4.115 2.330 5.040 . 0 0 "[ . 1 . 2]" 1
1164 1 76 MET ME 1 78 ILE MD . . 4.590 2.999 2.511 3.349 . 0 0 "[ . 1 . 2]" 1
1165 1 76 MET ME 1 78 ILE MG . . 4.680 4.416 4.195 4.483 . 0 0 "[ . 1 . 2]" 1
1166 1 76 MET QG 1 77 GLY H . . 5.500 3.354 2.290 4.540 . 0 0 "[ . 1 . 2]" 1
1167 1 77 GLY H 1 78 ILE H . . 3.450 2.383 1.895 2.816 . 0 0 "[ . 1 . 2]" 1
1168 1 77 GLY H 1 78 ILE QG . . 5.500 4.436 4.158 5.115 . 0 0 "[ . 1 . 2]" 1
1169 1 77 GLY HA2 1 78 ILE HB . . 5.500 5.688 5.358 5.849 0.349 19 0 "[ . 1 . 2]" 1
1170 1 77 GLY HA3 1 78 ILE HB . . 5.500 5.359 5.236 5.439 . 0 0 "[ . 1 . 2]" 1
1171 1 78 ILE H 1 78 ILE HB . . 3.560 2.555 2.412 2.834 . 0 0 "[ . 1 . 2]" 1
1172 1 78 ILE H 1 78 ILE MD . . 4.720 3.672 2.540 4.233 . 0 0 "[ . 1 . 2]" 1
1173 1 78 ILE H 1 78 ILE QG . . 4.740 2.501 2.045 3.355 . 0 0 "[ . 1 . 2]" 1
1174 1 78 ILE H 1 79 ASP H . . 5.040 4.292 3.921 4.561 . 0 0 "[ . 1 . 2]" 1
1175 1 78 ILE HA 1 78 ILE MD . . 4.800 3.815 3.682 3.878 . 0 0 "[ . 1 . 2]" 1
1176 1 78 ILE HA 1 78 ILE QG . . 4.000 2.374 2.272 2.446 . 0 0 "[ . 1 . 2]" 1
1177 1 78 ILE HA 1 79 ASP H . . 3.000 2.157 2.139 2.304 . 0 0 "[ . 1 . 2]" 1
1178 1 78 ILE HA 1 79 ASP HA . . 4.750 4.409 4.390 4.486 . 0 0 "[ . 1 . 2]" 1
1179 1 78 ILE HA 1 79 ASP HB2 . . 5.500 4.246 4.108 4.534 . 0 0 "[ . 1 . 2]" 1
1180 1 78 ILE HA 1 83 TRP HE1 . . 4.740 4.270 3.130 4.572 . 0 0 "[ . 1 . 2]" 1
1181 1 78 ILE MD 1 78 ILE MG . . 3.870 2.096 1.920 2.856 . 0 0 "[ . 1 . 2]" 1
1182 1 78 ILE MD 1 79 ASP H . . 5.500 5.294 5.021 5.379 . 0 0 "[ . 1 . 2]" 1
1183 1 78 ILE MD 1 83 TRP HE1 . . 5.500 4.866 3.748 5.248 . 0 0 "[ . 1 . 2]" 1
1184 1 78 ILE MD 1 83 TRP HH2 . . 5.500 5.018 3.846 5.431 . 0 0 "[ . 1 . 2]" 1
1185 1 78 ILE MD 1 83 TRP HZ2 . . 4.930 3.760 2.405 4.342 . 0 0 "[ . 1 . 2]" 1
1186 1 78 ILE QG 1 79 ASP H . . 4.780 4.181 3.947 4.376 . 0 0 "[ . 1 . 2]" 1
1187 1 78 ILE QG 1 83 TRP HE1 . . 5.500 4.358 2.855 4.830 . 0 0 "[ . 1 . 2]" 1
1188 1 78 ILE MG 1 79 ASP H . . 4.130 2.952 2.312 3.461 . 0 0 "[ . 1 . 2]" 1
1189 1 78 ILE MG 1 79 ASP HA . . 5.230 3.848 3.500 4.134 . 0 0 "[ . 1 . 2]" 1
1190 1 78 ILE MG 1 80 LEU H . . 5.500 4.194 3.405 4.575 . 0 0 "[ . 1 . 2]" 1
1191 1 78 ILE MG 1 80 LEU QD . . 4.790 3.300 2.713 4.240 . 0 0 "[ . 1 . 2]" 1
1192 1 78 ILE MG 1 80 LEU HG . . 5.500 5.404 4.205 5.614 0.114 12 0 "[ . 1 . 2]" 1
1193 1 78 ILE MG 1 83 TRP HD1 . . 5.500 4.293 3.323 4.750 . 0 0 "[ . 1 . 2]" 1
1194 1 78 ILE MG 1 83 TRP HE1 . . 4.260 2.554 2.044 2.812 . 0 0 "[ . 1 . 2]" 1
1195 1 78 ILE MG 1 83 TRP HZ2 . . 5.370 2.614 2.065 2.834 . 0 0 "[ . 1 . 2]" 1
1196 1 79 ASP H 1 79 ASP HB2 . . 3.610 2.334 2.180 2.846 . 0 0 "[ . 1 . 2]" 1
1197 1 79 ASP H 1 79 ASP HB3 . . 3.620 3.108 2.837 3.206 . 0 0 "[ . 1 . 2]" 1
1198 1 79 ASP H 1 80 LEU H . . 5.500 4.444 4.042 4.536 . 0 0 "[ . 1 . 2]" 1
1199 1 79 ASP H 1 82 GLU QB . . 4.750 4.580 4.316 4.650 . 0 0 "[ . 1 . 2]" 1
1200 1 79 ASP H 1 82 GLU HG2 . . 5.500 3.855 2.757 4.109 . 0 0 "[ . 1 . 2]" 1
1201 1 79 ASP H 1 83 TRP HD1 . . 5.110 4.588 3.070 4.918 . 0 0 "[ . 1 . 2]" 1
1202 1 79 ASP H 1 83 TRP HE1 . . 4.470 4.084 3.071 4.319 . 0 0 "[ . 1 . 2]" 1
1203 1 79 ASP HA 1 80 LEU H . . 3.140 2.175 2.140 2.223 . 0 0 "[ . 1 . 2]" 1
1204 1 79 ASP HA 1 80 LEU HA . . 5.500 4.378 4.354 4.470 . 0 0 "[ . 1 . 2]" 1
1205 1 79 ASP HA 1 80 LEU HB3 . . 5.380 5.065 4.753 5.279 . 0 0 "[ . 1 . 2]" 1
1206 1 79 ASP HA 1 81 ASP H . . 4.060 3.785 3.466 4.008 . 0 0 "[ . 1 . 2]" 1
1207 1 79 ASP HA 1 82 GLU H . . 5.500 4.463 4.147 4.669 . 0 0 "[ . 1 . 2]" 1
1208 1 79 ASP HB2 1 80 LEU H . . 4.470 4.439 4.281 4.635 0.165 14 0 "[ . 1 . 2]" 1
1209 1 79 ASP HB2 1 82 GLU QB . . 4.980 3.403 2.827 4.430 . 0 0 "[ . 1 . 2]" 1
1210 1 79 ASP HB3 1 80 LEU H . . 4.990 3.680 3.421 4.273 . 0 0 "[ . 1 . 2]" 1
1211 1 79 ASP HB3 1 81 ASP H . . 5.360 3.601 2.887 3.775 . 0 0 "[ . 1 . 2]" 1
1212 1 80 LEU H 1 80 LEU HB3 . . 3.700 2.934 2.615 3.280 . 0 0 "[ . 1 . 2]" 1
1213 1 80 LEU H 1 80 LEU QD . . 4.680 3.395 2.729 3.781 . 0 0 "[ . 1 . 2]" 1
1214 1 80 LEU H 1 80 LEU HG . . 5.470 4.522 4.029 4.681 . 0 0 "[ . 1 . 2]" 1
1215 1 80 LEU H 1 81 ASP H . . 3.850 2.351 2.234 2.812 . 0 0 "[ . 1 . 2]" 1
1216 1 80 LEU H 1 82 GLU H . . 4.970 3.863 3.709 4.334 . 0 0 "[ . 1 . 2]" 1
1217 1 80 LEU HA 1 82 GLU H . . 4.710 3.842 3.607 4.128 . 0 0 "[ . 1 . 2]" 1
1218 1 80 LEU HA 1 83 TRP H . . 3.920 3.284 2.884 3.619 . 0 0 "[ . 1 . 2]" 1
1219 1 80 LEU HA 1 83 TRP HA . . 5.500 5.201 4.681 5.532 0.032 11 0 "[ . 1 . 2]" 1
1220 1 80 LEU HA 1 83 TRP HD1 . . 5.420 3.931 3.449 4.673 . 0 0 "[ . 1 . 2]" 1
1221 1 80 LEU HA 1 83 TRP HE1 . . 5.500 4.573 4.177 5.529 0.029 12 0 "[ . 1 . 2]" 1
1222 1 80 LEU HA 1 83 TRP HE3 . . 5.500 4.612 4.136 5.051 . 0 0 "[ . 1 . 2]" 1
1223 1 80 LEU HA 1 84 SER H . . 4.630 5.093 4.472 5.374 0.744 7 12 "[ *****+* * * . * -*]" 1
1224 1 80 LEU HB2 1 81 ASP HB2 . . 5.500 5.442 5.175 5.809 0.309 5 0 "[ . 1 . 2]" 1
1225 1 80 LEU HB3 1 81 ASP H . . 4.260 2.962 2.813 3.466 . 0 0 "[ . 1 . 2]" 1
1226 1 80 LEU QD 1 81 ASP H . . 4.990 3.818 3.392 4.217 . 0 0 "[ . 1 . 2]" 1
1227 1 80 LEU QD 1 83 TRP H . . 4.780 4.011 3.485 4.839 0.059 15 0 "[ . 1 . 2]" 1
1228 1 80 LEU QD 1 83 TRP HE1 . . 5.500 4.478 4.003 5.483 . 0 0 "[ . 1 . 2]" 1
1229 1 80 LEU QD 1 83 TRP HE3 . . 4.860 2.975 2.408 3.808 . 0 0 "[ . 1 . 2]" 1
1230 1 81 ASP H 1 81 ASP HB2 . . 3.290 2.104 2.070 2.236 . 0 0 "[ . 1 . 2]" 1
1231 1 81 ASP H 1 81 ASP HB3 . . 3.600 3.308 3.158 3.452 . 0 0 "[ . 1 . 2]" 1
1232 1 81 ASP H 1 82 GLU H . . 3.260 2.528 2.126 2.749 . 0 0 "[ . 1 . 2]" 1
1233 1 81 ASP H 1 82 GLU HA . . 5.380 5.141 4.825 5.352 . 0 0 "[ . 1 . 2]" 1
1234 1 81 ASP HA 1 84 SER H . . 4.210 3.941 3.807 4.127 . 0 0 "[ . 1 . 2]" 1
1235 1 81 ASP HA 1 85 VAL H . . 5.500 5.191 5.079 5.315 . 0 0 "[ . 1 . 2]" 1
1236 1 81 ASP HB2 1 82 GLU H . . 3.770 3.432 3.192 3.625 . 0 0 "[ . 1 . 2]" 1
1237 1 81 ASP HB3 1 82 GLU H . . 5.290 3.432 3.165 3.595 . 0 0 "[ . 1 . 2]" 1
1238 1 81 ASP HB3 1 82 GLU QB . . 5.220 4.360 3.994 4.586 . 0 0 "[ . 1 . 2]" 1
1239 1 81 ASP HB3 1 83 TRP H . . 5.500 5.329 5.178 5.425 . 0 0 "[ . 1 . 2]" 1
1240 1 82 GLU H 1 82 GLU QB . . 3.220 2.382 2.318 2.457 . 0 0 "[ . 1 . 2]" 1
1241 1 82 GLU H 1 82 GLU HG2 . . 4.010 2.521 2.439 2.601 . 0 0 "[ . 1 . 2]" 1
1242 1 82 GLU H 1 82 GLU HG3 . . 3.860 3.852 3.690 3.920 0.060 14 0 "[ . 1 . 2]" 1
1243 1 82 GLU H 1 83 TRP H . . 3.040 2.350 2.253 2.454 . 0 0 "[ . 1 . 2]" 1
1244 1 82 GLU H 1 83 TRP HA . . 5.370 4.955 4.861 5.045 . 0 0 "[ . 1 . 2]" 1
1245 1 82 GLU H 1 83 TRP HB2 . . 5.490 4.357 4.197 4.490 . 0 0 "[ . 1 . 2]" 1
1246 1 82 GLU H 1 83 TRP HD1 . . 4.700 4.135 3.967 4.446 . 0 0 "[ . 1 . 2]" 1
1247 1 82 GLU H 1 84 SER H . . 4.720 4.220 3.966 4.514 . 0 0 "[ . 1 . 2]" 1
1248 1 82 GLU H 1 85 VAL QG . . 5.500 4.174 4.071 4.367 . 0 0 "[ . 1 . 2]" 1
1249 1 82 GLU HA 1 82 GLU HG2 . . 3.870 3.696 3.656 3.796 . 0 0 "[ . 1 . 2]" 1
1250 1 82 GLU HA 1 82 GLU HG3 . . 3.980 3.703 3.603 3.764 . 0 0 "[ . 1 . 2]" 1
1251 1 82 GLU HA 1 83 TRP HD1 . . 5.140 5.143 5.068 5.241 0.101 11 0 "[ . 1 . 2]" 1
1252 1 82 GLU HA 1 85 VAL H . . 3.990 3.119 2.979 3.291 . 0 0 "[ . 1 . 2]" 1
1253 1 82 GLU HA 1 85 VAL QG . . 3.700 1.902 1.872 1.950 . 0 0 "[ . 1 . 2]" 1
1254 1 82 GLU HA 1 86 ALA H . . 4.670 5.035 4.940 5.088 0.418 5 0 "[ . 1 . 2]" 1
1255 1 82 GLU QB 1 83 TRP H . . 3.740 3.502 3.475 3.551 . 0 0 "[ . 1 . 2]" 1
1256 1 82 GLU QB 1 83 TRP HD1 . . 4.390 4.073 4.000 4.181 . 0 0 "[ . 1 . 2]" 1
1257 1 82 GLU QB 1 84 SER H . . 5.500 5.078 4.824 5.365 . 0 0 "[ . 1 . 2]" 1
1258 1 82 GLU QB 1 85 VAL QG . . 5.360 3.046 2.961 3.123 . 0 0 "[ . 1 . 2]" 1
1259 1 82 GLU QB 1 86 ALA H . . 5.460 5.489 5.337 5.584 0.124 12 0 "[ . 1 . 2]" 1
1260 1 82 GLU QB 1 86 ALA MB . . 5.500 3.668 3.434 3.963 . 0 0 "[ . 1 . 2]" 1
1261 1 82 GLU HG2 1 83 TRP HD1 . . 4.570 2.068 1.955 2.336 . 0 0 "[ . 1 . 2]" 1
1262 1 82 GLU HG2 1 85 VAL QG . . 5.300 4.742 4.689 4.825 . 0 0 "[ . 1 . 2]" 1
1263 1 82 GLU HG2 1 86 ALA MB . . 5.500 4.206 4.065 4.423 . 0 0 "[ . 1 . 2]" 1
1264 1 82 GLU HG3 1 83 TRP H . . 4.250 3.186 3.067 3.321 . 0 0 "[ . 1 . 2]" 1
1265 1 82 GLU HG3 1 83 TRP HD1 . . 4.730 2.471 2.331 2.675 . 0 0 "[ . 1 . 2]" 1
1266 1 82 GLU HG3 1 85 VAL QG . . 4.810 4.353 4.209 4.463 . 0 0 "[ . 1 . 2]" 1
1267 1 82 GLU HG3 1 86 ALA H . . 5.500 5.495 5.395 5.557 0.057 18 0 "[ . 1 . 2]" 1
1268 1 82 GLU HG3 1 86 ALA MB . . 5.500 2.981 2.823 3.111 . 0 0 "[ . 1 . 2]" 1
1269 1 83 TRP H 1 83 TRP HB2 . . 3.840 2.329 2.232 2.388 . 0 0 "[ . 1 . 2]" 1
1270 1 83 TRP H 1 83 TRP HB3 . . 4.070 3.561 3.522 3.578 . 0 0 "[ . 1 . 2]" 1
1271 1 83 TRP H 1 83 TRP HD1 . . 3.630 2.527 2.406 2.835 . 0 0 "[ . 1 . 2]" 1
1272 1 83 TRP H 1 83 TRP HE1 . . 5.440 4.831 4.700 5.069 . 0 0 "[ . 1 . 2]" 1
1273 1 83 TRP H 1 83 TRP HE3 . . 5.500 5.386 5.290 5.554 0.054 11 0 "[ . 1 . 2]" 1
1274 1 83 TRP H 1 84 SER H . . 3.810 2.795 2.669 2.936 . 0 0 "[ . 1 . 2]" 1
1275 1 83 TRP H 1 85 VAL H . . 5.110 4.116 3.970 4.303 . 0 0 "[ . 1 . 2]" 1
1276 1 83 TRP H 1 85 VAL QG . . 4.910 4.305 4.211 4.480 . 0 0 "[ . 1 . 2]" 1
1277 1 83 TRP H 1 86 ALA H . . 5.400 5.487 5.398 5.633 0.233 12 0 "[ . 1 . 2]" 1
1278 1 83 TRP H 1 86 ALA MB . . 5.090 4.145 4.002 4.389 . 0 0 "[ . 1 . 2]" 1
1279 1 83 TRP HA 1 83 TRP HD1 . . 4.020 2.444 2.280 2.641 . 0 0 "[ . 1 . 2]" 1
1280 1 83 TRP HA 1 83 TRP HE1 . . 5.210 4.639 4.558 4.677 . 0 0 "[ . 1 . 2]" 1
1281 1 83 TRP HA 1 86 ALA H . . 5.500 4.015 3.933 4.160 . 0 0 "[ . 1 . 2]" 1
1282 1 83 TRP HA 1 86 ALA MB . . 3.430 2.333 2.161 2.572 . 0 0 "[ . 1 . 2]" 1
1283 1 83 TRP HB2 1 84 SER H . . 4.170 2.781 2.507 3.093 . 0 0 "[ . 1 . 2]" 1
1284 1 83 TRP HB3 1 84 SER H . . 4.360 3.477 3.175 3.721 . 0 0 "[ . 1 . 2]" 1
1285 1 83 TRP HD1 1 84 SER H . . 5.410 4.861 4.803 4.934 . 0 0 "[ . 1 . 2]" 1
1286 1 83 TRP HD1 1 86 ALA MB . . 4.870 3.816 3.593 4.075 . 0 0 "[ . 1 . 2]" 1
1287 1 83 TRP HE1 1 86 ALA MB . . 5.500 5.474 5.303 5.537 0.037 15 0 "[ . 1 . 2]" 1
1288 1 83 TRP HZ3 1 88 PHE QD . . 5.500 7.848 6.686 8.444 2.944 15 20 [**********-***+*****] 1
1289 1 84 SER H 1 84 SER QB . . 3.320 2.337 2.049 2.907 . 0 0 "[ . 1 . 2]" 1
1290 1 84 SER H 1 85 VAL H . . 3.690 2.513 2.282 2.751 . 0 0 "[ . 1 . 2]" 1
1291 1 84 SER H 1 85 VAL HA . . 5.180 5.177 4.999 5.350 0.170 13 0 "[ . 1 . 2]" 1
1292 1 84 SER H 1 85 VAL QG . . 4.730 3.744 3.434 4.199 . 0 0 "[ . 1 . 2]" 1
1293 1 84 SER H 1 86 ALA H . . 4.820 4.339 4.233 4.415 . 0 0 "[ . 1 . 2]" 1
1294 1 84 SER H 1 86 ALA MB . . 4.640 4.357 4.255 4.457 . 0 0 "[ . 1 . 2]" 1
1295 1 84 SER QB 1 85 VAL H . . 5.500 3.072 2.601 3.631 . 0 0 "[ . 1 . 2]" 1
1296 1 84 SER QB 1 85 VAL QG . . 4.490 3.309 2.481 3.835 . 0 0 "[ . 1 . 2]" 1
1297 1 85 VAL H 1 85 VAL QG . . 3.280 2.125 2.052 2.203 . 0 0 "[ . 1 . 2]" 1
1298 1 85 VAL H 1 86 ALA H . . 3.030 2.859 2.694 2.949 . 0 0 "[ . 1 . 2]" 1
1299 1 85 VAL H 1 86 ALA HA . . 5.210 4.785 4.635 4.952 . 0 0 "[ . 1 . 2]" 1
1300 1 85 VAL H 1 86 ALA MB . . 4.450 3.754 3.547 3.974 . 0 0 "[ . 1 . 2]" 1
1301 1 85 VAL HA 1 86 ALA MB . . 4.680 4.594 4.577 4.621 . 0 0 "[ . 1 . 2]" 1
1302 1 85 VAL HB 1 86 ALA H . . 4.620 4.486 4.440 4.570 . 0 0 "[ . 1 . 2]" 1
1303 1 85 VAL QG 1 86 ALA H . . 3.880 3.415 3.370 3.446 . 0 0 "[ . 1 . 2]" 1
1304 1 85 VAL QG 1 86 ALA HA . . 4.540 3.708 3.467 3.878 . 0 0 "[ . 1 . 2]" 1
1305 1 85 VAL QG 1 86 ALA MB . . 4.240 3.608 3.435 3.723 . 0 0 "[ . 1 . 2]" 1
1306 1 86 ALA H 1 86 ALA MB . . 3.360 2.317 2.202 2.433 . 0 0 "[ . 1 . 2]" 1
1307 1 86 ALA H 1 87 THR H . . 4.510 4.437 4.374 4.499 . 0 0 "[ . 1 . 2]" 1
1308 1 86 ALA H 1 88 PHE QE . . 4.940 4.526 3.706 4.753 . 0 0 "[ . 1 . 2]" 1
1309 1 86 ALA HA 1 87 THR H . . 2.820 2.594 2.396 2.712 . 0 0 "[ . 1 . 2]" 1
1310 1 86 ALA HA 1 87 THR HB . . 5.170 4.954 4.372 5.125 . 0 0 "[ . 1 . 2]" 1
1311 1 86 ALA HA 1 87 THR MG . . 5.500 5.122 4.034 5.483 . 0 0 "[ . 1 . 2]" 1
1312 1 86 ALA MB 1 87 THR H . . 3.540 2.140 1.924 2.460 . 0 0 "[ . 1 . 2]" 1
1313 1 86 ALA MB 1 87 THR HA . . 5.500 4.005 3.883 4.172 . 0 0 "[ . 1 . 2]" 1
1314 1 86 ALA MB 1 87 THR HB . . 4.930 4.499 4.379 4.710 . 0 0 "[ . 1 . 2]" 1
1315 1 86 ALA MB 1 87 THR MG . . 5.290 4.656 3.519 4.975 . 0 0 "[ . 1 . 2]" 1
1316 1 86 ALA MB 1 88 PHE H . . 5.500 4.408 3.910 5.138 . 0 0 "[ . 1 . 2]" 1
1317 1 86 ALA MB 1 88 PHE QD . . 3.960 2.809 2.429 3.221 . 0 0 "[ . 1 . 2]" 1
1318 1 86 ALA MB 1 88 PHE QE . . 3.990 2.499 2.158 2.786 . 0 0 "[ . 1 . 2]" 1
1319 1 86 ALA MB 1 107 PHE QR . . 4.500 5.172 2.255 7.201 2.701 13 14 "[* **.** *1- +**** **]" 1
1320 1 87 THR H 1 87 THR HB . . 3.130 2.801 2.634 2.986 . 0 0 "[ . 1 . 2]" 1
1321 1 87 THR H 1 87 THR MG . . 4.260 3.517 2.009 3.939 . 0 0 "[ . 1 . 2]" 1
1322 1 87 THR H 1 88 PHE H . . 4.770 4.163 3.897 4.557 . 0 0 "[ . 1 . 2]" 1
1323 1 87 THR HA 1 88 PHE H . . 3.130 2.191 2.143 2.264 . 0 0 "[ . 1 . 2]" 1
1324 1 87 THR HA 1 88 PHE HB2 . . 5.500 4.378 4.210 4.524 . 0 0 "[ . 1 . 2]" 1
1325 1 87 THR HA 1 88 PHE QD . . 4.360 3.758 3.324 4.006 . 0 0 "[ . 1 . 2]" 1
1326 1 87 THR HA 1 107 PHE QR . . 5.500 7.474 5.035 9.331 3.831 4 16 "[*-*+.** *1* ********]" 1
1327 1 87 THR HB 1 88 PHE H . . 5.100 4.273 4.159 4.439 . 0 0 "[ . 1 . 2]" 1
1328 1 87 THR HB 1 89 TYR H . . 5.500 5.492 4.018 6.852 1.352 20 5 "[-* * 1* . +]" 1
1329 1 87 THR HB 1 89 TYR QD . . 5.500 4.410 3.485 5.845 0.345 20 0 "[ . 1 . 2]" 1
1330 1 87 THR HB 1 89 TYR QE . . 4.670 3.085 2.303 4.465 . 0 0 "[ . 1 . 2]" 1
1331 1 87 THR MG 1 88 PHE H . . 4.100 3.381 2.939 3.814 . 0 0 "[ . 1 . 2]" 1
1332 1 87 THR MG 1 88 PHE HA . . 5.500 4.195 3.623 4.432 . 0 0 "[ . 1 . 2]" 1
1333 1 87 THR MG 1 88 PHE QD . . 5.350 4.763 4.262 4.933 . 0 0 "[ . 1 . 2]" 1
1334 1 87 THR MG 1 89 TYR QD . . 4.930 3.307 2.734 3.547 . 0 0 "[ . 1 . 2]" 1
1335 1 87 THR MG 1 89 TYR QE . . 4.150 2.387 1.898 2.712 . 0 0 "[ . 1 . 2]" 1
1336 1 88 PHE H 1 88 PHE HB2 . . 3.840 2.308 2.215 2.554 . 0 0 "[ . 1 . 2]" 1
1337 1 88 PHE H 1 88 PHE QD . . 3.830 2.753 2.306 3.120 . 0 0 "[ . 1 . 2]" 1
1338 1 88 PHE H 1 88 PHE QE . . 4.530 5.047 4.614 5.406 0.876 1 9 "[+* * ** 1 * .*- *]" 1
1339 1 88 PHE H 1 89 TYR QD . . 5.500 5.226 4.897 5.492 . 0 0 "[ . 1 . 2]" 1
1340 1 88 PHE HA 1 89 TYR H . . 3.280 2.172 2.139 2.376 . 0 0 "[ . 1 . 2]" 1
1341 1 88 PHE HA 1 89 TYR HB2 . . 5.220 4.589 4.399 4.783 . 0 0 "[ . 1 . 2]" 1
1342 1 88 PHE HA 1 89 TYR QD . . 5.500 3.935 3.429 4.491 . 0 0 "[ . 1 . 2]" 1
1343 1 88 PHE HA 1 107 PHE QB . . 5.280 5.083 3.889 5.948 0.668 4 2 "[ +. - 1 . 2]" 1
1344 1 88 PHE HB3 1 89 TYR H . . 4.640 3.639 2.990 4.200 . 0 0 "[ . 1 . 2]" 1
1345 1 88 PHE QD 1 89 TYR H . . 4.950 4.450 4.133 4.873 . 0 0 "[ . 1 . 2]" 1
1346 1 89 TYR H 1 89 TYR HB2 . . 4.090 2.511 2.383 2.677 . 0 0 "[ . 1 . 2]" 1
1347 1 89 TYR H 1 89 TYR QD . . 3.950 2.668 2.060 3.126 . 0 0 "[ . 1 . 2]" 1
1348 1 89 TYR H 1 89 TYR QE . . 5.290 4.582 4.000 5.118 . 0 0 "[ . 1 . 2]" 1
1349 1 89 TYR H 1 90 LEU H . . 5.080 4.483 4.287 4.616 . 0 0 "[ . 1 . 2]" 1
1350 1 89 TYR H 1 105 CYS HA . . 5.380 4.803 4.213 5.185 . 0 0 "[ . 1 . 2]" 1
1351 1 89 TYR H 1 106 SER H . . 4.200 3.960 3.475 4.077 . 0 0 "[ . 1 . 2]" 1
1352 1 89 TYR H 1 107 PHE HA . . 4.690 3.540 2.867 4.410 . 0 0 "[ . 1 . 2]" 1
1353 1 89 TYR HA 1 89 TYR QD . . 4.350 2.817 2.433 3.099 . 0 0 "[ . 1 . 2]" 1
1354 1 89 TYR HA 1 89 TYR QE . . 5.250 4.620 4.483 4.810 . 0 0 "[ . 1 . 2]" 1
1355 1 89 TYR HA 1 90 LEU H . . 3.080 2.285 2.139 2.658 . 0 0 "[ . 1 . 2]" 1
1356 1 89 TYR HA 1 90 LEU QD . . 5.500 3.068 2.664 4.067 . 0 0 "[ . 1 . 2]" 1
1357 1 89 TYR HA 1 106 SER H . . 5.500 5.097 4.853 5.375 . 0 0 "[ . 1 . 2]" 1
1358 1 89 TYR HB2 1 90 LEU H . . 4.520 3.920 3.165 4.448 . 0 0 "[ . 1 . 2]" 1
1359 1 89 TYR HB2 1 106 SER H . . 5.130 3.620 3.176 3.884 . 0 0 "[ . 1 . 2]" 1
1360 1 89 TYR HB3 1 90 LEU H . . 4.990 2.902 1.946 3.762 . 0 0 "[ . 1 . 2]" 1
1361 1 89 TYR HB3 1 106 SER H . . 4.990 4.579 4.108 4.932 . 0 0 "[ . 1 . 2]" 1
1362 1 89 TYR QD 1 90 LEU H . . 4.700 3.907 3.454 4.523 . 0 0 "[ . 1 . 2]" 1
1363 1 89 TYR QD 1 91 PHE QR . . 5.200 4.458 3.134 5.044 . 0 0 "[ . 1 . 2]" 1
1364 1 89 TYR QD 1 106 SER H . . 5.500 5.136 4.531 5.478 . 0 0 "[ . 1 . 2]" 1
1365 1 89 TYR QD 1 106 SER QB . . 5.420 4.228 3.476 4.503 . 0 0 "[ . 1 . 2]" 1
1366 1 89 TYR QD 1 107 PHE HA . . 4.880 3.413 2.515 3.885 . 0 0 "[ . 1 . 2]" 1
1367 1 89 TYR QD 1 108 TYR H . . 5.360 3.577 2.371 4.618 . 0 0 "[ . 1 . 2]" 1
1368 1 89 TYR QD 1 109 PRO HA . . 5.500 2.996 2.760 3.206 . 0 0 "[ . 1 . 2]" 1
1369 1 89 TYR QD 1 109 PRO HB3 . . 5.500 4.309 3.940 4.646 . 0 0 "[ . 1 . 2]" 1
1370 1 89 TYR QD 1 109 PRO HD3 . . 5.500 4.335 3.953 4.862 . 0 0 "[ . 1 . 2]" 1
1371 1 89 TYR QE 1 107 PHE HA . . 5.150 4.762 3.556 5.007 . 0 0 "[ . 1 . 2]" 1
1372 1 89 TYR QE 1 107 PHE QR . . 5.500 5.203 4.379 5.548 0.048 3 0 "[ . 1 . 2]" 1
1373 1 89 TYR QE 1 108 TYR H . . 5.500 4.964 3.541 5.617 0.117 12 0 "[ . 1 . 2]" 1
1374 1 89 TYR QE 1 109 PRO HB2 . . 4.920 4.221 3.973 4.554 . 0 0 "[ . 1 . 2]" 1
1375 1 89 TYR QE 1 109 PRO HB3 . . 4.930 3.071 2.804 3.335 . 0 0 "[ . 1 . 2]" 1
1376 1 89 TYR QE 1 109 PRO HD2 . . 4.960 4.498 4.192 4.831 . 0 0 "[ . 1 . 2]" 1
1377 1 89 TYR QE 1 109 PRO HD3 . . 5.170 3.041 2.730 3.663 . 0 0 "[ . 1 . 2]" 1
1378 1 89 TYR QE 1 109 PRO HG3 . . 4.840 4.438 4.214 4.714 . 0 0 "[ . 1 . 2]" 1
1379 1 90 LEU H 1 90 LEU QB . . 3.890 2.550 2.279 2.816 . 0 0 "[ . 1 . 2]" 1
1380 1 90 LEU H 1 90 LEU QD . . 4.740 2.490 1.885 3.726 . 0 0 "[ . 1 . 2]" 1
1381 1 90 LEU H 1 90 LEU HG . . 4.260 3.733 3.152 4.112 . 0 0 "[ . 1 . 2]" 1
1382 1 90 LEU H 1 91 PHE H . . 5.500 4.407 3.992 4.595 . 0 0 "[ . 1 . 2]" 1
1383 1 90 LEU H 1 91 PHE QR . . 5.230 4.397 3.646 5.041 . 0 0 "[ . 1 . 2]" 1
1384 1 90 LEU HA 1 90 LEU QD . . 3.880 2.393 1.932 3.037 . 0 0 "[ . 1 . 2]" 1
1385 1 90 LEU HA 1 91 PHE H . . 3.210 2.281 2.145 2.450 . 0 0 "[ . 1 . 2]" 1
1386 1 90 LEU HA 1 91 PHE QR . . 5.500 4.358 3.909 4.668 . 0 0 "[ . 1 . 2]" 1
1387 1 90 LEU HA 1 104 TYR H . . 5.260 4.626 3.512 5.080 . 0 0 "[ . 1 . 2]" 1
1388 1 90 LEU QB 1 91 PHE H . . 4.440 2.853 2.333 3.746 . 0 0 "[ . 1 . 2]" 1
1389 1 90 LEU QD 1 91 PHE H . . 4.430 3.517 2.882 4.046 . 0 0 "[ . 1 . 2]" 1
1390 1 90 LEU QD 1 103 MET HA . . 4.430 4.798 4.222 5.440 1.010 11 8 "[- . * *1+** . * *2]" 1
1391 1 90 LEU QD 1 104 TYR HA . . 5.500 4.963 4.410 5.520 0.020 11 0 "[ . 1 . 2]" 1
1392 1 90 LEU QD 1 105 CYS H . . 5.500 4.586 3.687 5.113 . 0 0 "[ . 1 . 2]" 1
1393 1 90 LEU QD 1 105 CYS HA . . 5.500 3.015 1.949 3.491 . 0 0 "[ . 1 . 2]" 1
1394 1 90 LEU QD 1 106 SER H . . 4.430 4.235 3.183 4.561 0.131 5 0 "[ . 1 . 2]" 1
1395 1 91 PHE H 1 91 PHE QR . . 4.430 3.816 2.578 4.247 . 0 0 "[ . 1 . 2]" 1
1396 1 91 PHE H 1 92 ASP H . . 5.060 4.409 4.361 4.525 . 0 0 "[ . 1 . 2]" 1
1397 1 91 PHE H 1 103 MET HA . . 5.080 4.239 3.191 4.917 . 0 0 "[ . 1 . 2]" 1
1398 1 91 PHE H 1 104 TYR H . . 4.010 2.995 2.243 3.694 . 0 0 "[ . 1 . 2]" 1
1399 1 91 PHE H 1 105 CYS H . . 5.500 5.071 4.713 5.347 . 0 0 "[ . 1 . 2]" 1
1400 1 91 PHE H 1 106 SER H . . 5.500 4.250 3.020 5.288 . 0 0 "[ . 1 . 2]" 1
1401 1 91 PHE HA 1 92 ASP H . . 3.470 2.551 2.416 2.619 . 0 0 "[ . 1 . 2]" 1
1402 1 91 PHE HA 1 96 GLU H . . 5.060 4.285 3.939 4.577 . 0 0 "[ . 1 . 2]" 1
1403 1 91 PHE HA 1 97 GLU H . . 5.500 4.412 3.976 4.688 . 0 0 "[ . 1 . 2]" 1
1404 1 91 PHE HA 1 97 GLU HA . . 5.500 2.366 1.986 2.829 . 0 0 "[ . 1 . 2]" 1
1405 1 91 PHE HA 1 97 GLU HG3 . . 5.500 3.555 2.812 4.215 . 0 0 "[ . 1 . 2]" 1
1406 1 91 PHE HA 1 98 ASN H . . 4.000 3.497 3.153 3.912 . 0 0 "[ . 1 . 2]" 1
1407 1 91 PHE HA 1 104 TYR H . . 5.500 4.672 4.289 5.000 . 0 0 "[ . 1 . 2]" 1
1408 1 91 PHE HB2 1 92 ASP H . . 4.070 3.714 3.545 3.921 . 0 0 "[ . 1 . 2]" 1
1409 1 91 PHE HB3 1 92 ASP H . . 3.790 2.244 2.051 2.545 . 0 0 "[ . 1 . 2]" 1
1410 1 91 PHE HB3 1 95 GLY H . . 5.100 4.429 3.833 4.806 . 0 0 "[ . 1 . 2]" 1
1411 1 91 PHE HB3 1 96 GLU H . . 4.500 4.287 3.799 4.357 . 0 0 "[ . 1 . 2]" 1
1412 1 91 PHE QR 1 92 ASP H . . 4.670 2.468 2.198 3.322 . 0 0 "[ . 1 . 2]" 1
1413 1 91 PHE QR 1 94 ALA H . . 5.500 5.284 4.873 5.441 . 0 0 "[ . 1 . 2]" 1
1414 1 91 PHE QR 1 95 GLY H . . 4.490 3.821 3.309 4.105 . 0 0 "[ . 1 . 2]" 1
1415 1 91 PHE QR 1 95 GLY HA2 . . 4.920 2.607 1.941 3.144 . 0 0 "[ . 1 . 2]" 1
1416 1 91 PHE QR 1 96 GLU H . . 5.280 2.800 2.512 3.723 . 0 0 "[ . 1 . 2]" 1
1417 1 91 PHE QR 1 97 GLU HA . . 5.500 3.710 3.421 4.306 . 0 0 "[ . 1 . 2]" 1
1418 1 91 PHE QR 1 97 GLU HG2 . . 5.500 5.171 4.156 5.766 0.266 19 0 "[ . 1 . 2]" 1
1419 1 91 PHE QR 1 104 TYR QD . . 5.290 4.984 4.330 5.204 . 0 0 "[ . 1 . 2]" 1
1420 1 91 PHE QR 1 106 SER H . . 4.500 4.119 3.082 4.370 . 0 0 "[ . 1 . 2]" 1
1421 1 91 PHE QR 1 106 SER QB . . 4.800 3.454 2.278 4.281 . 0 0 "[ . 1 . 2]" 1
1422 1 91 PHE QR 1 109 PRO HA . . 5.500 4.399 3.360 4.975 . 0 0 "[ . 1 . 2]" 1
1423 1 91 PHE QR 1 110 PRO HB2 . . 4.830 3.839 3.552 4.248 . 0 0 "[ . 1 . 2]" 1
1424 1 91 PHE QR 1 110 PRO HB3 . . 5.500 2.811 2.109 3.330 . 0 0 "[ . 1 . 2]" 1
1425 1 91 PHE QR 1 110 PRO HD2 . . 5.500 4.906 4.356 5.515 0.015 5 0 "[ . 1 . 2]" 1
1426 1 91 PHE QR 1 110 PRO HD3 . . 4.750 3.793 3.098 4.581 . 0 0 "[ . 1 . 2]" 1
1427 1 91 PHE QR 1 110 PRO HG2 . . 4.990 4.997 4.512 5.433 0.443 5 0 "[ . 1 . 2]" 1
1428 1 91 PHE QR 1 110 PRO HG3 . . 5.500 4.496 3.807 5.045 . 0 0 "[ . 1 . 2]" 1
1429 1 91 PHE QR 1 111 ASP H . . 5.350 5.197 4.902 5.506 0.156 5 0 "[ . 1 . 2]" 1
1430 1 91 PHE QR 1 111 ASP HA . . 5.500 6.302 6.209 6.446 0.946 1 20 [+****************-**] 1
1431 1 92 ASP H 1 93 ASP H . . 5.500 4.363 4.322 4.423 . 0 0 "[ . 1 . 2]" 1
1432 1 92 ASP H 1 94 ALA H . . 5.310 4.015 3.767 4.324 . 0 0 "[ . 1 . 2]" 1
1433 1 92 ASP H 1 94 ALA MB . . 5.500 5.020 4.830 5.276 . 0 0 "[ . 1 . 2]" 1
1434 1 92 ASP H 1 95 GLY H . . 5.440 3.284 2.964 3.537 . 0 0 "[ . 1 . 2]" 1
1435 1 92 ASP H 1 96 GLU H . . 4.050 2.583 2.314 2.937 . 0 0 "[ . 1 . 2]" 1
1436 1 92 ASP H 1 97 GLU HA . . 4.390 4.189 3.989 4.254 . 0 0 "[ . 1 . 2]" 1
1437 1 92 ASP H 1 98 ASN H . . 4.610 4.155 3.599 4.480 . 0 0 "[ . 1 . 2]" 1
1438 1 92 ASP HA 1 94 ALA H . . 4.770 4.145 4.073 4.285 . 0 0 "[ . 1 . 2]" 1
1439 1 92 ASP HA 1 98 ASN H . . 5.500 4.922 4.305 5.490 . 0 0 "[ . 1 . 2]" 1
1440 1 92 ASP HA 1 103 MET HA . . 5.180 3.025 2.445 3.744 . 0 0 "[ . 1 . 2]" 1
1441 1 92 ASP HA 1 104 TYR H . . 5.180 3.242 2.809 3.825 . 0 0 "[ . 1 . 2]" 1
1442 1 92 ASP HA 1 104 TYR QD . . 5.060 3.486 2.645 4.269 . 0 0 "[ . 1 . 2]" 1
1443 1 92 ASP HA 1 104 TYR QE . . 5.340 4.424 3.428 5.186 . 0 0 "[ . 1 . 2]" 1
1444 1 92 ASP QB 1 93 ASP H . . 3.640 2.054 1.905 2.524 . 0 0 "[ . 1 . 2]" 1
1445 1 92 ASP QB 1 94 ALA H . . 4.140 2.280 2.044 2.918 . 0 0 "[ . 1 . 2]" 1
1446 1 92 ASP QB 1 94 ALA HA . . 5.500 4.884 4.754 5.455 . 0 0 "[ . 1 . 2]" 1
1447 1 92 ASP QB 1 94 ALA MB . . 5.130 3.201 2.996 3.547 . 0 0 "[ . 1 . 2]" 1
1448 1 92 ASP QB 1 98 ASN H . . 5.380 3.317 2.645 4.002 . 0 0 "[ . 1 . 2]" 1
1449 1 92 ASP QB 1 104 TYR QE . . 5.480 5.325 4.476 5.942 0.462 19 0 "[ . 1 . 2]" 1
1450 1 93 ASP H 1 93 ASP QB . . 3.630 2.391 2.066 2.693 . 0 0 "[ . 1 . 2]" 1
1451 1 93 ASP H 1 94 ALA H . . 3.890 2.513 2.401 2.599 . 0 0 "[ . 1 . 2]" 1
1452 1 93 ASP H 1 94 ALA MB . . 5.000 4.084 3.832 4.259 . 0 0 "[ . 1 . 2]" 1
1453 1 93 ASP H 1 100 SER QB . . 5.170 4.618 4.244 4.835 . 0 0 "[ . 1 . 2]" 1
1454 1 93 ASP H 1 104 TYR QE . . 4.370 4.111 3.171 4.746 0.376 1 0 "[ . 1 . 2]" 1
1455 1 93 ASP HA 1 94 ALA MB . . 5.500 4.867 4.784 4.935 . 0 0 "[ . 1 . 2]" 1
1456 1 93 ASP HA 1 104 TYR QD . . 4.730 3.696 3.335 4.200 . 0 0 "[ . 1 . 2]" 1
1457 1 93 ASP HA 1 104 TYR QE . . 3.600 2.397 1.998 2.877 . 0 0 "[ . 1 . 2]" 1
1458 1 93 ASP QB 1 94 ALA H . . 4.160 3.503 3.056 3.889 . 0 0 "[ . 1 . 2]" 1
1459 1 93 ASP QB 1 94 ALA HA . . 5.500 4.394 4.013 4.694 . 0 0 "[ . 1 . 2]" 1
1460 1 93 ASP QB 1 94 ALA MB . . 4.770 4.173 3.778 4.682 . 0 0 "[ . 1 . 2]" 1
1461 1 93 ASP QB 1 95 GLY H . . 5.500 4.826 4.593 5.065 . 0 0 "[ . 1 . 2]" 1
1462 1 93 ASP QB 1 104 TYR QE . . 4.010 3.388 2.617 3.847 . 0 0 "[ . 1 . 2]" 1
1463 1 94 ALA H 1 94 ALA MB . . 3.340 2.351 2.245 2.480 . 0 0 "[ . 1 . 2]" 1
1464 1 94 ALA H 1 95 GLY H . . 3.400 2.208 1.915 2.392 . 0 0 "[ . 1 . 2]" 1
1465 1 94 ALA H 1 95 GLY HA2 . . 4.840 4.498 4.266 4.648 . 0 0 "[ . 1 . 2]" 1
1466 1 94 ALA H 1 96 GLU H . . 4.290 3.376 3.136 3.555 . 0 0 "[ . 1 . 2]" 1
1467 1 94 ALA H 1 96 GLU HB3 . . 5.500 5.548 5.293 5.871 0.371 20 0 "[ . 1 . 2]" 1
1468 1 94 ALA H 1 96 GLU QG . . 5.500 3.573 3.066 4.498 . 0 0 "[ . 1 . 2]" 1
1469 1 94 ALA H 1 104 TYR QD . . 5.500 5.465 5.181 5.552 0.052 20 0 "[ . 1 . 2]" 1
1470 1 94 ALA HA 1 96 GLU QG . . 5.500 5.004 4.588 6.138 0.638 1 3 "[+ * 1 .- 2]" 1
1471 1 94 ALA MB 1 95 GLY H . . 4.010 3.265 2.943 3.380 . 0 0 "[ . 1 . 2]" 1
1472 1 94 ALA MB 1 95 GLY HA2 . . 5.500 4.795 4.634 4.851 . 0 0 "[ . 1 . 2]" 1
1473 1 94 ALA MB 1 95 GLY HA3 . . 5.500 4.359 4.052 4.472 . 0 0 "[ . 1 . 2]" 1
1474 1 94 ALA MB 1 96 GLU H . . 4.190 3.378 2.971 3.623 . 0 0 "[ . 1 . 2]" 1
1475 1 94 ALA MB 1 96 GLU QG . . 4.090 2.482 1.959 3.607 . 0 0 "[ . 1 . 2]" 1
1476 1 94 ALA MB 1 98 ASN QB . . 5.500 5.125 4.620 6.520 1.020 16 1 "[ . 1 .+ 2]" 1
1477 1 94 ALA MB 1 98 ASN HD21 . . 5.500 5.051 4.603 5.432 . 0 0 "[ . 1 . 2]" 1
1478 1 94 ALA MB 1 98 ASN HD22 . . 5.500 5.409 3.845 5.700 0.200 1 0 "[ . 1 . 2]" 1
1479 1 95 GLY H 1 96 GLU H . . 3.660 2.402 1.966 2.624 . 0 0 "[ . 1 . 2]" 1
1480 1 95 GLY H 1 96 GLU HB3 . . 5.250 5.018 4.645 5.156 . 0 0 "[ . 1 . 2]" 1
1481 1 95 GLY H 1 96 GLU QG . . 5.500 3.827 3.441 4.358 . 0 0 "[ . 1 . 2]" 1
1482 1 96 GLU H 1 96 GLU HB2 . . 3.910 3.819 3.716 3.893 . 0 0 "[ . 1 . 2]" 1
1483 1 96 GLU H 1 96 GLU HB3 . . 3.530 3.173 2.976 3.300 . 0 0 "[ . 1 . 2]" 1
1484 1 96 GLU H 1 96 GLU QG . . 3.950 2.260 1.922 2.788 . 0 0 "[ . 1 . 2]" 1
1485 1 96 GLU HA 1 97 GLU H . . 2.990 2.320 2.179 2.500 . 0 0 "[ . 1 . 2]" 1
1486 1 96 GLU HA 1 98 ASN HD22 . . 5.500 5.439 4.608 6.208 0.708 5 2 "[ + 1 .- 2]" 1
1487 1 96 GLU HB2 1 97 GLU H . . 3.630 2.664 2.266 3.120 . 0 0 "[ . 1 . 2]" 1
1488 1 96 GLU HB2 1 98 ASN QB . . 5.500 4.359 3.637 4.811 . 0 0 "[ . 1 . 2]" 1
1489 1 96 GLU HB2 1 98 ASN HD21 . . 4.680 3.121 2.299 3.942 . 0 0 "[ . 1 . 2]" 1
1490 1 96 GLU HB2 1 98 ASN HD22 . . 4.760 3.226 2.297 4.609 . 0 0 "[ . 1 . 2]" 1
1491 1 96 GLU HB3 1 97 GLU H . . 5.010 3.892 3.710 4.150 . 0 0 "[ . 1 . 2]" 1
1492 1 96 GLU HB3 1 98 ASN HD21 . . 4.940 4.240 3.824 4.757 . 0 0 "[ . 1 . 2]" 1
1493 1 96 GLU HB3 1 98 ASN HD22 . . 4.970 4.375 3.809 5.120 0.150 20 0 "[ . 1 . 2]" 1
1494 1 96 GLU QG 1 97 GLU H . . 4.550 3.710 3.249 3.999 . 0 0 "[ . 1 . 2]" 1
1495 1 96 GLU QG 1 98 ASN HD22 . . 5.500 2.795 2.164 3.009 . 0 0 "[ . 1 . 2]" 1
1496 1 97 GLU H 1 97 GLU HB2 . . 3.410 2.380 2.110 2.815 . 0 0 "[ . 1 . 2]" 1
1497 1 97 GLU H 1 97 GLU HB3 . . 3.490 2.935 2.404 3.473 . 0 0 "[ . 1 . 2]" 1
1498 1 97 GLU H 1 97 GLU HG2 . . 4.480 4.540 4.361 4.698 0.218 1 0 "[ . 1 . 2]" 1
1499 1 97 GLU H 1 97 GLU HG3 . . 4.610 4.093 3.256 4.650 0.040 13 0 "[ . 1 . 2]" 1
1500 1 97 GLU H 1 98 ASN H . . 4.170 3.903 3.444 4.106 . 0 0 "[ . 1 . 2]" 1
1501 1 97 GLU H 1 98 ASN QB . . 5.360 5.022 4.671 5.245 . 0 0 "[ . 1 . 2]" 1
1502 1 97 GLU H 1 98 ASN HD22 . . 5.500 4.788 3.722 6.179 0.679 16 1 "[ . 1 .+ 2]" 1
1503 1 97 GLU HA 1 98 ASN H . . 3.030 2.347 2.243 2.539 . 0 0 "[ . 1 . 2]" 1
1504 1 97 GLU HA 1 98 ASN QB . . 5.500 4.589 4.423 4.826 . 0 0 "[ . 1 . 2]" 1
1505 1 97 GLU HB2 1 98 ASN H . . 4.810 4.639 4.519 4.664 . 0 0 "[ . 1 . 2]" 1
1506 1 97 GLU HB3 1 98 ASN H . . 4.890 4.308 4.132 4.502 . 0 0 "[ . 1 . 2]" 1
1507 1 97 GLU HG2 1 98 ASN H . . 5.180 4.708 3.789 4.965 . 0 0 "[ . 1 . 2]" 1
1508 1 97 GLU HG3 1 98 ASN H . . 5.500 4.320 3.618 4.954 . 0 0 "[ . 1 . 2]" 1
1509 1 98 ASN H 1 98 ASN QB . . 3.670 2.549 2.392 3.065 . 0 0 "[ . 1 . 2]" 1
1510 1 98 ASN H 1 98 ASN HD21 . . 5.140 3.406 1.863 4.438 . 0 0 "[ . 1 . 2]" 1
1511 1 98 ASN H 1 99 PHE H . . 4.990 4.428 4.333 4.485 . 0 0 "[ . 1 . 2]" 1
1512 1 98 ASN HA 1 99 PHE H . . 2.900 2.527 2.164 2.723 . 0 0 "[ . 1 . 2]" 1
1513 1 98 ASN HA 1 99 PHE HA . . 5.280 4.415 4.315 4.442 . 0 0 "[ . 1 . 2]" 1
1514 1 98 ASN HA 1 99 PHE QR . . 4.970 3.301 3.031 3.797 . 0 0 "[ . 1 . 2]" 1
1515 1 98 ASN QB 1 99 PHE H . . 3.400 2.209 1.872 3.106 . 0 0 "[ . 1 . 2]" 1
1516 1 99 PHE H 1 99 PHE HB2 . . 3.470 3.605 2.575 3.714 0.244 6 0 "[ . 1 . 2]" 1
1517 1 99 PHE H 1 99 PHE QR . . 3.910 2.642 1.742 2.897 . 0 0 "[ . 1 . 2]" 1
1518 1 99 PHE H 1 100 SER H . . 4.650 3.261 2.971 3.623 . 0 0 "[ . 1 . 2]" 1
1519 1 99 PHE HA 1 99 PHE QR . . 4.070 3.548 2.037 3.648 . 0 0 "[ . 1 . 2]" 1
1520 1 99 PHE HA 1 100 SER H . . 3.140 2.572 2.526 2.694 . 0 0 "[ . 1 . 2]" 1
1521 1 99 PHE HB2 1 100 SER H . . 4.450 4.344 4.310 4.444 . 0 0 "[ . 1 . 2]" 1
1522 1 99 PHE QR 1 100 SER H . . 4.240 4.491 3.943 4.595 0.355 14 0 "[ . 1 . 2]" 1
1523 1 99 PHE QR 1 100 SER QB . . 5.500 5.207 4.600 5.659 0.159 3 0 "[ . 1 . 2]" 1
1524 1 100 SER QB 1 102 ARG H . . 4.290 2.765 2.257 3.547 . 0 0 "[ . 1 . 2]" 1
1525 1 101 SER H 1 101 SER HB2 . . 3.430 2.233 2.079 3.489 0.059 15 0 "[ . 1 . 2]" 1
1526 1 101 SER H 1 102 ARG H . . 3.870 2.826 2.753 3.005 . 0 0 "[ . 1 . 2]" 1
1527 1 101 SER HB2 1 102 ARG H . . 5.020 3.209 2.420 4.140 . 0 0 "[ . 1 . 2]" 1
1528 1 101 SER HB3 1 102 ARG H . . 4.640 3.159 2.646 3.968 . 0 0 "[ . 1 . 2]" 1
1529 1 102 ARG H 1 102 ARG QB . . 3.620 2.599 2.275 2.930 . 0 0 "[ . 1 . 2]" 1
1530 1 102 ARG H 1 102 ARG QD . . 5.030 4.746 4.190 5.180 0.150 13 0 "[ . 1 . 2]" 1
1531 1 102 ARG H 1 102 ARG QG . . 4.650 3.660 2.468 4.175 . 0 0 "[ . 1 . 2]" 1
1532 1 102 ARG H 1 103 MET H . . 4.890 4.363 4.147 4.550 . 0 0 "[ . 1 . 2]" 1
1533 1 102 ARG HA 1 102 ARG QD . . 5.010 3.654 2.258 4.322 . 0 0 "[ . 1 . 2]" 1
1534 1 102 ARG HA 1 103 MET H . . 3.140 2.260 2.141 2.660 . 0 0 "[ . 1 . 2]" 1
1535 1 102 ARG HA 1 103 MET HA . . 5.120 4.443 4.391 4.625 . 0 0 "[ . 1 . 2]" 1
1536 1 102 ARG QB 1 103 MET H . . 4.700 3.373 2.152 3.857 . 0 0 "[ . 1 . 2]" 1
1537 1 102 ARG QB 1 103 MET HA . . 4.400 4.536 4.382 4.644 0.244 3 0 "[ . 1 . 2]" 1
1538 1 102 ARG QB 1 104 TYR QE . . 5.490 4.854 4.157 5.355 . 0 0 "[ . 1 . 2]" 1
1539 1 102 ARG QD 1 103 MET H . . 5.500 3.893 2.283 4.403 . 0 0 "[ . 1 . 2]" 1
1540 1 102 ARG QD 1 104 TYR QD . . 5.500 4.235 3.463 5.126 . 0 0 "[ . 1 . 2]" 1
1541 1 102 ARG QD 1 104 TYR QE . . 4.840 3.223 2.019 4.562 . 0 0 "[ . 1 . 2]" 1
1542 1 102 ARG HE 1 104 TYR QE . . 5.500 4.511 2.747 6.449 0.949 12 2 "[- . 1 + . 2]" 1
1543 1 102 ARG QG 1 103 MET H . . 4.200 2.594 2.233 3.260 . 0 0 "[ . 1 . 2]" 1
1544 1 102 ARG QG 1 103 MET HA . . 4.020 3.522 3.059 3.774 . 0 0 "[ . 1 . 2]" 1
1545 1 102 ARG QG 1 104 TYR H . . 4.740 4.186 3.545 4.558 . 0 0 "[ . 1 . 2]" 1
1546 1 102 ARG QG 1 104 TYR QD . . 5.000 4.092 3.438 4.693 . 0 0 "[ . 1 . 2]" 1
1547 1 102 ARG QG 1 104 TYR QE . . 5.470 3.718 2.837 4.480 . 0 0 "[ . 1 . 2]" 1
1548 1 103 MET H 1 104 TYR H . . 5.310 4.232 3.969 4.415 . 0 0 "[ . 1 . 2]" 1
1549 1 103 MET H 1 104 TYR QE . . 5.100 5.841 4.940 6.428 1.328 1 14 "[+** .***-*** * * **]" 1
1550 1 103 MET HA 1 104 TYR H . . 3.620 2.185 2.141 2.336 . 0 0 "[ . 1 . 2]" 1
1551 1 103 MET HA 1 104 TYR HA . . 4.730 4.388 4.350 4.446 . 0 0 "[ . 1 . 2]" 1
1552 1 104 TYR H 1 104 TYR QD . . 4.140 3.265 2.566 3.801 . 0 0 "[ . 1 . 2]" 1
1553 1 104 TYR H 1 104 TYR QE . . 4.640 4.864 4.355 5.493 0.853 9 4 "[ *. +1 -. * 2]" 1
1554 1 104 TYR HA 1 105 CYS H . . 3.290 2.213 2.138 2.404 . 0 0 "[ . 1 . 2]" 1
1555 1 104 TYR HA 1 105 CYS HA . . 5.500 4.385 4.363 4.419 . 0 0 "[ . 1 . 2]" 1
1556 1 104 TYR HA 1 105 CYS HB3 . . 5.500 4.784 4.472 5.544 0.044 15 0 "[ . 1 . 2]" 1
1557 1 104 TYR HB2 1 105 CYS H . . 4.220 4.106 3.594 4.410 0.190 9 0 "[ . 1 . 2]" 1
1558 1 104 TYR HB3 1 105 CYS H . . 4.560 3.071 2.426 3.572 . 0 0 "[ . 1 . 2]" 1
1559 1 104 TYR HB3 1 106 SER H . . 5.500 4.656 4.079 4.932 . 0 0 "[ . 1 . 2]" 1
1560 1 104 TYR QD 1 105 CYS H . . 4.800 3.644 3.316 4.077 . 0 0 "[ . 1 . 2]" 1
1561 1 105 CYS H 1 105 CYS HB2 . . 4.170 3.037 2.106 3.708 . 0 0 "[ . 1 . 2]" 1
1562 1 105 CYS H 1 105 CYS HB3 . . 4.130 2.954 2.373 3.476 . 0 0 "[ . 1 . 2]" 1
1563 1 105 CYS H 1 106 SER H . . 4.760 4.108 3.757 4.311 . 0 0 "[ . 1 . 2]" 1
1564 1 105 CYS HA 1 106 SER H . . 3.250 2.198 2.165 2.311 . 0 0 "[ . 1 . 2]" 1
1565 1 105 CYS HB2 1 106 SER H . . 5.500 4.276 3.773 4.656 . 0 0 "[ . 1 . 2]" 1
1566 1 105 CYS HB3 1 106 SER H . . 4.940 4.335 3.872 4.538 . 0 0 "[ . 1 . 2]" 1
1567 1 106 SER HA 1 107 PHE H . . 3.430 2.252 2.137 2.471 . 0 0 "[ . 1 . 2]" 1
1568 1 106 SER HA 1 108 TYR QE . . 4.390 3.847 3.468 4.268 . 0 0 "[ . 1 . 2]" 1
1569 1 106 SER QB 1 107 PHE H . . 4.360 2.907 2.370 3.397 . 0 0 "[ . 1 . 2]" 1
1570 1 106 SER QB 1 108 TYR H . . 3.930 2.525 2.076 3.409 . 0 0 "[ . 1 . 2]" 1
1571 1 106 SER QB 1 108 TYR QD . . 5.500 2.723 2.413 3.082 . 0 0 "[ . 1 . 2]" 1
1572 1 106 SER QB 1 108 TYR QE . . 5.330 2.270 2.062 2.800 . 0 0 "[ . 1 . 2]" 1
1573 1 107 PHE H 1 107 PHE QB . . 3.880 2.479 2.134 2.790 . 0 0 "[ . 1 . 2]" 1
1574 1 107 PHE H 1 107 PHE QR . . 4.190 2.761 2.084 4.108 . 0 0 "[ . 1 . 2]" 1
1575 1 107 PHE H 1 108 TYR H . . 3.670 2.526 2.173 3.327 . 0 0 "[ . 1 . 2]" 1
1576 1 107 PHE H 1 108 TYR QD . . 4.020 2.919 2.493 3.251 . 0 0 "[ . 1 . 2]" 1
1577 1 107 PHE H 1 108 TYR QE . . 4.470 4.104 3.521 4.372 . 0 0 "[ . 1 . 2]" 1
1578 1 107 PHE HA 1 107 PHE QR . . 3.570 3.388 2.310 3.679 0.109 1 0 "[ . 1 . 2]" 1
1579 1 107 PHE HA 1 108 TYR QD . . 4.710 4.888 4.152 5.108 0.398 5 0 "[ . 1 . 2]" 1
1580 1 107 PHE QB 1 108 TYR H . . 4.650 3.559 2.271 3.994 . 0 0 "[ . 1 . 2]" 1
1581 1 107 PHE QB 1 108 TYR QD . . 4.230 4.268 3.500 4.642 0.412 1 0 "[ . 1 . 2]" 1
1582 1 107 PHE QB 1 108 TYR QE . . 4.230 5.829 5.038 6.153 1.923 17 20 [*-**************+***] 1
1583 1 107 PHE QR 1 108 TYR H . . 4.370 3.709 2.963 4.298 . 0 0 "[ . 1 . 2]" 1
1584 1 108 TYR H 1 108 TYR HB2 . . 3.820 3.739 3.583 4.067 0.247 2 0 "[ . 1 . 2]" 1
1585 1 108 TYR H 1 108 TYR HB3 . . 3.890 2.880 2.431 3.493 . 0 0 "[ . 1 . 2]" 1
1586 1 108 TYR H 1 108 TYR QD . . 3.570 2.135 1.896 2.958 . 0 0 "[ . 1 . 2]" 1
1587 1 108 TYR H 1 108 TYR QE . . 4.220 3.984 3.878 4.555 0.335 2 0 "[ . 1 . 2]" 1
1588 1 108 TYR H 1 109 PRO HD2 . . 5.500 4.790 4.738 4.806 . 0 0 "[ . 1 . 2]" 1
1589 1 108 TYR H 1 109 PRO HD3 . . 5.420 5.001 4.709 5.052 . 0 0 "[ . 1 . 2]" 1
1590 1 108 TYR HA 1 108 TYR QD . . 3.570 3.734 3.732 3.736 0.166 5 0 "[ . 1 . 2]" 1
1591 1 108 TYR HA 1 109 PRO HG2 . . 5.080 4.524 4.517 4.528 . 0 0 "[ . 1 . 2]" 1
1592 1 108 TYR HB2 1 109 PRO HD2 . . 5.500 1.926 1.916 1.947 . 0 0 "[ . 1 . 2]" 1
1593 1 108 TYR QD 1 109 PRO HD2 . . 5.430 3.314 3.299 3.331 . 0 0 "[ . 1 . 2]" 1
1594 1 108 TYR QD 1 109 PRO HD3 . . 5.500 4.658 4.640 4.674 . 0 0 "[ . 1 . 2]" 1
1595 1 109 PRO HA 1 110 PRO HG3 . . 5.120 4.563 4.560 4.572 . 0 0 "[ . 1 . 2]" 1
1596 1 109 PRO HA 1 111 ASP H . . 5.330 4.622 4.509 4.766 . 0 0 "[ . 1 . 2]" 1
1597 1 109 PRO HB3 1 110 PRO HD2 . . 4.930 2.726 2.712 2.730 . 0 0 "[ . 1 . 2]" 1
1598 1 110 PRO HA 1 111 ASP QB . . 4.730 4.270 4.123 4.322 . 0 0 "[ . 1 . 2]" 1
1599 1 110 PRO HB2 1 111 ASP H . . 3.580 2.917 2.749 3.058 . 0 0 "[ . 1 . 2]" 1
1600 1 110 PRO HB2 1 111 ASP HA . . 5.290 4.803 4.774 4.845 . 0 0 "[ . 1 . 2]" 1
1601 1 110 PRO HB2 1 111 ASP QB . . 5.380 3.139 3.121 3.213 . 0 0 "[ . 1 . 2]" 1
1602 1 110 PRO HB3 1 111 ASP H . . 3.780 3.900 3.805 3.980 0.200 2 0 "[ . 1 . 2]" 1
1603 1 110 PRO HD2 1 111 ASP H . . 4.710 2.749 2.690 2.835 . 0 0 "[ . 1 . 2]" 1
1604 1 110 PRO HD3 1 111 ASP H . . 5.070 3.871 3.848 3.908 . 0 0 "[ . 1 . 2]" 1
1605 1 110 PRO HG2 1 111 ASP H . . 4.780 1.937 1.811 2.062 . 0 0 "[ . 1 . 2]" 1
1606 1 110 PRO HG2 1 111 ASP HA . . 5.500 4.664 4.553 4.740 . 0 0 "[ . 1 . 2]" 1
1607 1 110 PRO HG3 1 111 ASP H . . 4.920 3.557 3.456 3.652 . 0 0 "[ . 1 . 2]" 1
1608 1 111 ASP H 1 111 ASP QB . . 3.270 2.976 2.961 3.024 . 0 0 "[ . 1 . 2]" 1
1609 1 111 ASP H 1 112 GLU H . . 4.380 1.981 1.884 2.506 . 0 0 "[ . 1 . 2]" 1
1610 1 111 ASP HA 1 112 GLU H . . 2.690 3.516 3.505 3.569 0.879 9 20 [********+***-*******] 1
1611 1 111 ASP HA 1 112 GLU HA . . 4.560 4.938 4.755 5.352 0.792 17 3 "[ . -1 * + 2]" 1
1612 1 111 ASP HA 1 112 GLU QB . . 4.650 5.048 4.382 5.306 0.656 20 9 "[* . ** - ** .* *+]" 1
1613 1 111 ASP HA 1 112 GLU QG . . 5.130 6.297 5.363 6.592 1.462 14 19 [*******-*****+*****2] 1
1614 1 111 ASP QB 1 112 GLU H . . 3.780 2.780 2.407 2.853 . 0 0 "[ . 1 . 2]" 1
1615 1 111 ASP QB 1 112 GLU HA . . 4.490 3.813 3.784 3.947 . 0 0 "[ . 1 . 2]" 1
1616 1 111 ASP QB 1 112 GLU QG . . 4.910 5.058 4.424 5.479 0.569 13 5 "[ . *1 *+ * - 2]" 1
1617 1 112 GLU H 1 112 GLU QB . . 3.180 2.186 2.044 2.794 . 0 0 "[ . 1 . 2]" 1
1618 1 112 GLU H 1 112 GLU QG . . 3.400 3.729 2.955 4.056 0.656 15 6 "[ . *1 *-*+ * 2]" 1
1619 1 112 GLU QB 1 112 GLU QG . . 2.400 2.044 2.006 2.085 . 0 0 "[ . 1 . 2]" 1
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