NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634932 |
6hkc   |
27581 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6hkc
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 1313
_Distance_constraint_stats_list.Viol_count 5271
_Distance_constraint_stats_list.Viol_total 49378.813
_Distance_constraint_stats_list.Viol_max 3.073
_Distance_constraint_stats_list.Viol_rms 0.2722
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0940
_Distance_constraint_stats_list.Viol_average_violations_only 0.4684
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 6.055 1.116 11 5 "[ * . - 1+ * * 2]"
1 3 THR 22.947 1.116 11 13 "[* * *-** *+* ** * *2]"
1 4 SER 24.642 1.224 8 13 "[*** *-*+** * ** *2]"
1 5 GLU 8.574 1.224 8 8 "[ * - *+*1 ** *2]"
1 6 GLY 68.883 2.712 11 19 "[****** ***+*********]"
1 7 CYS 31.686 0.988 18 8 "[ -*** 1*** . + 2]"
1 8 GLN 90.778 1.724 11 19 [*****-***1+*********]
1 9 ILE 213.795 3.073 9 20 [********+***********]
1 10 ILE 155.104 2.007 16 20 [***************+****]
1 11 HIS 35.827 1.874 5 17 "[ *- +*********.*****]"
1 13 PRO 92.720 2.322 16 18 [****.****1*****+***-]
1 14 TRP 18.521 1.257 12 7 "[ *** 1 + .* *-]"
1 15 GLU 5.371 1.257 12 2 "[ - 1 + . 2]"
1 16 GLY 32.902 2.322 16 13 "[* *-.* * 1*****+* *]"
1 17 GLY 33.757 2.046 3 18 "[**+*** *****-***** *]"
1 18 ILE 77.355 1.607 4 20 [*-*+****************]
1 19 ARG 28.092 1.262 17 16 "[* ********* **+***]"
1 20 TYR 68.334 1.534 9 20 [********+***-*******]
1 21 ARG 84.846 2.092 17 19 "[****-******** **+***]"
1 22 GLY 3.107 0.815 9 2 "[ - +1 . 2]"
1 23 LEU 40.611 0.986 1 20 [+****-**************]
1 24 THR 111.636 1.997 15 20 [****-*********+*****]
1 25 ARG 4.058 0.682 5 3 "[ * + 1 - 2]"
1 26 ASP 22.852 1.082 5 12 "[****+* *-* * * *]"
1 27 GLN 138.011 1.997 15 20 [*****-********+*****]
1 28 VAL 65.456 1.568 16 20 [********-******+****]
1 29 LYS 27.183 1.082 5 15 "[****+* *-** * * ** *]"
1 30 ALA 33.431 1.272 11 18 "[**********+**** -**2]"
1 31 ILE 74.511 3.073 9 20 [********+*******-***]
1 32 ASN 11.849 0.703 7 3 "[ . + 1 -* 2]"
1 33 PHE 83.923 1.724 11 16 "[ * **-***1+* *******]"
1 34 LEU 70.818 1.157 8 20 [*******+*********-**]
1 35 PRO 42.498 1.966 3 14 "[* +*** **1* - .*****]"
1 36 VAL 123.778 2.626 8 19 [**-****+***********2]
1 37 ASP 27.517 1.352 8 12 "[* **** +*1* * . ***2]"
1 38 TYR 123.296 1.966 3 18 "[* +**- *************]"
1 39 GLU 34.518 2.092 17 9 "[* **. *1- * **+ 2]"
1 40 ILE 150.494 1.565 17 20 [*-**************+***]
1 41 GLU 18.803 0.908 11 6 "[ . * *1+* . -*]"
1 42 TYR 154.752 2.440 11 20 [**********+*******-*]
1 43 VAL 52.418 1.772 16 20 [*******-*******+****]
1 44 CYS 46.326 1.578 3 14 "[* +*.*** ** -*****2]"
1 45 ARG 38.732 1.087 8 19 "[*******+****-***** *]"
1 46 GLY 32.627 1.384 17 17 "[****.******- ***+**2]"
1 47 GLU 40.922 1.396 16 15 "[* *.* * -*****+****]"
1 48 ARG 68.944 1.772 16 15 "[* *-.*** ** ***+ ***]"
1 49 GLU 39.361 1.936 9 15 "[** ****+*-* *.*** *]"
1 50 VAL 106.411 1.964 2 20 [*+****************-*]
1 51 VAL 34.056 1.395 16 9 "[ *.* -* * *.+** 2]"
1 52 GLY 22.605 1.753 12 16 "[****.***** + ***-**2]"
1 53 PRO 72.072 1.658 14 19 "[*** ***-*****+******]"
1 54 LYS 91.049 1.778 8 20 [*******+-***********]
1 55 VAL 118.038 1.814 14 20 [*************+****-*]
1 56 ARG 103.124 1.861 15 20 [**************+**-**]
1 57 LYS 103.342 1.818 18 19 "[*-********* *****+**]"
1 58 CYS 17.814 1.352 8 7 "[* - .* +*1 *. * 2]"
1 59 LEU 103.504 2.484 11 20 [**********+*********]
1 60 ALA 77.604 1.808 9 18 "[****-***+1****** ***]"
1 61 ASN 64.408 2.712 11 19 [*-********+***.*****]
1 62 GLY 6.921 0.579 12 4 "[ ** - 1 + . 2]"
1 63 SER 61.399 1.819 10 19 "[*********+-**** ****]"
1 64 TRP 140.824 1.864 11 20 [**********+******-**]
1 65 THR 150.334 2.612 13 20 [**********-*+*******]
1 66 ASP 172.212 2.484 11 20 [**********+*********]
1 67 MET 195.801 2.612 13 20 [************+**-****]
1 68 ASP 18.857 1.056 19 18 "[* * **************+-]"
1 69 THR 101.911 2.397 19 20 [*******-**********+*]
1 70 PRO 11.198 0.871 11 10 "[ * *. *- 1+ * . ****]"
1 71 SER 127.273 2.440 11 20 [*******-**+*********]
1 72 ARG 55.537 1.964 2 19 "[*+******-* *********]"
1 73 CYS 31.695 1.743 16 19 [****.**********+**-*]
1 74 VAL 60.587 1.936 9 19 "[ *******+*********-*]"
1 75 ARG 7.973 0.624 10 2 "[ . + . -2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 THR H 2.950 . 2.950 2.443 2.146 3.264 0.314 3 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 THR MG 4.500 . 4.500 4.488 3.614 5.616 1.116 11 5 "[ * . - 1+ * * 2]" 1
3 1 2 PRO QB 1 3 THR H 3.960 . 3.960 3.677 3.107 3.993 0.033 13 0 "[ . 1 . 2]" 1
4 1 2 PRO HD2 1 3 THR H 5.500 . 5.500 4.673 2.810 5.631 0.131 14 0 "[ . 1 . 2]" 1
5 1 2 PRO HD3 1 3 THR H 5.500 . 5.500 5.133 3.919 5.780 0.280 8 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 3 THR HB 3.920 . 3.920 3.529 2.688 3.808 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR H 1 3 THR MG 3.730 . 3.730 2.904 2.278 3.983 0.253 17 0 "[ . 1 . 2]" 1
8 1 3 THR H 1 4 SER H 3.950 . 3.950 4.296 3.858 4.607 0.657 7 5 "[ *-+ * * . 2]" 1
9 1 3 THR H 1 4 SER QB 5.340 . 5.340 5.712 4.694 6.391 1.051 12 8 "[* - .*** * + . *2]" 1
10 1 3 THR HA 1 4 SER H 2.640 . 2.640 2.193 2.117 2.434 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR HB 1 4 SER H 3.910 . 3.910 3.554 2.435 4.420 0.510 14 1 "[ . 1 +. 2]" 1
12 1 3 THR MG 1 4 SER H 4.270 . 4.270 3.740 2.449 4.252 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 4 SER QB 3.060 . 3.060 2.642 2.449 3.103 0.043 15 0 "[ . 1 . 2]" 1
14 1 4 SER H 1 5 GLU QG 4.180 . 4.180 4.290 3.362 5.404 1.224 8 8 "[ - * *+*1 ** *2]" 1
15 1 4 SER HA 1 5 GLU H 2.700 . 2.700 2.182 2.144 2.298 . 0 0 "[ . 1 . 2]" 1
16 1 4 SER HA 1 5 GLU QG 4.640 . 4.640 4.118 3.524 5.395 0.755 7 2 "[ - + 1 . 2]" 1
17 1 4 SER HA 1 6 GLY H 5.500 . 5.500 5.391 5.130 5.702 0.202 13 0 "[ . 1 . 2]" 1
18 1 4 SER QB 1 5 GLU H 3.950 . 3.950 3.579 2.748 3.675 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER QB 1 6 GLY H 5.500 . 5.500 4.632 4.232 5.151 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLU H 1 5 GLU QB 2.950 . 2.950 2.526 2.328 2.842 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 5 GLU QG 3.270 . 3.270 2.721 2.210 3.903 0.633 7 1 "[ . + 1 . 2]" 1
22 1 5 GLU H 1 6 GLY QA 4.860 . 4.860 4.606 4.309 4.982 0.122 15 0 "[ . 1 . 2]" 1
23 1 5 GLU HA 1 5 GLU QG 3.500 . 3.500 2.599 2.366 3.115 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLU HA 1 6 GLY H 2.770 . 2.770 2.160 2.102 2.216 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU HA 1 6 GLY QA 5.120 . 5.120 3.905 3.886 3.933 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU QB 1 6 GLY H 3.850 . 3.850 3.547 3.327 3.666 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLU HB2 1 6 GLY H 4.590 . 4.590 4.373 4.095 4.541 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLU HB3 1 6 GLY H 4.590 . 4.590 3.755 3.485 3.920 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLU QG 1 6 GLY H 4.880 . 4.880 4.451 4.118 4.892 0.012 18 0 "[ . 1 . 2]" 1
30 1 6 GLY H 1 7 CYS H 4.420 . 4.420 4.301 4.062 4.367 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLY H 1 33 PHE QB 4.560 . 4.560 3.672 3.085 4.237 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLY H 1 33 PHE QD 4.770 . 4.770 3.730 2.444 4.625 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLY H 1 36 VAL HB 5.270 . 5.270 5.728 4.690 7.112 1.842 6 9 "[ * *+ *** * -* 2]" 1
34 1 6 GLY H 1 60 ALA HA 5.360 . 5.360 5.304 4.232 6.386 1.026 3 1 "[ + . 1 . 2]" 1
35 1 6 GLY H 1 60 ALA MB 5.500 . 5.500 6.109 5.157 6.891 1.391 3 13 "[ -+*** **1*** * **]" 1
36 1 6 GLY H 1 61 ASN H 4.450 . 4.450 5.943 4.476 7.162 2.712 11 16 "[*-**** **1+***.* ***]" 1
37 1 6 GLY QA 1 7 CYS H 2.860 . 2.860 2.184 2.070 2.275 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLY QA 1 33 PHE QB 4.170 . 4.170 1.782 1.428 2.518 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLY QA 1 33 PHE QD 4.120 . 4.120 3.174 2.586 3.736 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLY QA 1 35 PRO HA 4.260 . 4.260 3.327 2.561 4.214 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLY QA 1 36 VAL H . . 3.780 3.751 2.738 4.783 1.003 6 5 "[ * .+ * 1- . * 2]" 1
42 1 6 GLY QA 1 36 VAL QG 4.080 . 4.080 4.266 3.493 5.070 0.990 11 5 "[ * .- * 1+ . * 2]" 1
43 1 7 CYS H 1 7 CYS HB2 3.640 . 3.640 2.541 2.464 2.632 . 0 0 "[ . 1 . 2]" 1
44 1 7 CYS H 1 7 CYS HB3 4.030 . 4.030 3.643 3.611 3.688 . 0 0 "[ . 1 . 2]" 1
45 1 7 CYS H 1 8 GLN H 4.400 . 4.400 4.557 4.501 4.590 0.190 18 0 "[ . 1 . 2]" 1
46 1 7 CYS H 1 8 GLN HA 5.110 . 5.110 5.227 5.058 5.391 0.281 7 0 "[ . 1 . 2]" 1
47 1 7 CYS H 1 33 PHE QB 3.880 . 3.880 3.687 3.113 4.359 0.479 20 0 "[ . 1 . 2]" 1
48 1 7 CYS H 1 33 PHE QD 4.410 . 4.410 4.199 3.688 4.975 0.565 11 1 "[ . 1+ . 2]" 1
49 1 7 CYS H 1 34 LEU H 3.330 . 3.330 2.866 2.599 3.101 . 0 0 "[ . 1 . 2]" 1
50 1 7 CYS H 1 34 LEU QB 3.200 . 3.200 3.002 2.724 3.299 0.099 3 0 "[ . 1 . 2]" 1
51 1 7 CYS H 1 34 LEU QD . . 4.250 4.108 3.826 4.362 0.112 3 0 "[ . 1 . 2]" 1
52 1 7 CYS H 1 35 PRO HA 4.940 . 4.940 4.745 4.193 5.311 0.371 6 0 "[ . 1 . 2]" 1
53 1 7 CYS H 1 36 VAL H 5.340 . 5.340 5.333 4.656 6.197 0.857 6 2 "[ .+ 1 . - 2]" 1
54 1 7 CYS H 1 36 VAL HA 5.130 . 5.130 4.918 4.504 5.605 0.475 15 0 "[ . 1 . 2]" 1
55 1 7 CYS H 1 58 CYS HA 5.480 . 5.480 5.245 4.952 5.531 0.051 18 0 "[ . 1 . 2]" 1
56 1 7 CYS H 1 64 TRP HZ2 5.060 . 5.060 5.277 4.689 5.584 0.524 7 1 "[ . + 1 . 2]" 1
57 1 7 CYS HA 1 8 GLN H 2.770 . 2.770 2.281 2.170 2.370 . 0 0 "[ . 1 . 2]" 1
58 1 7 CYS HA 1 8 GLN QB 5.370 . 5.370 4.378 4.292 4.483 . 0 0 "[ . 1 . 2]" 1
59 1 7 CYS HA 1 62 GLY HA2 4.510 . 4.510 2.708 2.064 3.576 . 0 0 "[ . 1 . 2]" 1
60 1 7 CYS HA 1 62 GLY HA3 4.930 . 4.930 4.008 2.681 4.937 0.007 8 0 "[ . 1 . 2]" 1
61 1 7 CYS HB2 1 8 GLN H 4.380 . 4.380 3.850 3.619 4.092 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS HB2 1 34 LEU H 4.580 . 4.580 3.669 3.368 3.998 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS HB2 1 62 GLY HA2 5.490 . 5.490 5.373 4.387 6.069 0.579 12 3 "[ * - 1 + . 2]" 1
64 1 7 CYS HB2 1 64 TRP HA 5.410 . 5.410 5.132 4.718 5.885 0.475 18 0 "[ . 1 . 2]" 1
65 1 7 CYS HB2 1 64 TRP HD1 4.840 . 4.840 4.982 4.362 5.828 0.988 18 3 "[ . 1- * . + 2]" 1
66 1 7 CYS HB2 1 64 TRP HE1 3.360 . 3.360 3.616 3.032 4.300 0.940 18 4 "[ - 1* * . + 2]" 1
67 1 7 CYS HB2 1 64 TRP HZ2 4.450 . 4.450 3.144 2.962 3.367 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS HB3 1 8 GLN H 3.770 . 3.770 2.888 2.587 3.225 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS HB3 1 64 TRP HD1 4.660 . 4.660 3.630 3.117 4.380 . 0 0 "[ . 1 . 2]" 1
70 1 7 CYS HB3 1 64 TRP HE1 3.690 . 3.690 2.880 2.394 3.470 . 0 0 "[ . 1 . 2]" 1
71 1 7 CYS HB3 1 64 TRP HZ2 4.340 . 4.340 3.836 3.348 4.276 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLN H 1 8 GLN QB . . 2.840 2.656 2.547 2.859 0.019 9 0 "[ . 1 . 2]" 1
73 1 8 GLN H 1 8 GLN QG 3.260 . 3.260 2.106 1.664 2.211 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLN H 1 9 ILE H 4.670 . 4.670 4.512 4.459 4.571 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLN H 1 33 PHE QD 4.030 . 4.030 4.210 3.229 4.812 0.782 15 6 "[ *.- * 1* + *]" 1
76 1 8 GLN H 1 33 PHE QE 4.140 . 4.140 5.079 4.026 5.864 1.724 11 14 "[ * *.*-**1+* ******]" 1
77 1 8 GLN H 1 34 LEU QD 4.720 . 4.720 4.525 4.218 4.818 0.098 14 0 "[ . 1 . 2]" 1
78 1 8 GLN H 1 64 TRP HD1 5.500 . 5.500 5.004 4.193 5.605 0.105 13 0 "[ . 1 . 2]" 1
79 1 8 GLN H 1 64 TRP HE1 4.230 . 4.230 3.983 3.551 4.390 0.160 13 0 "[ . 1 . 2]" 1
80 1 8 GLN HA 1 9 ILE H 2.680 . 2.680 2.579 2.492 2.663 . 0 0 "[ . 1 . 2]" 1
81 1 8 GLN HA 1 9 ILE HB 5.160 . 5.160 4.844 4.505 5.076 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLN HA 1 9 ILE QG 4.690 . 4.690 3.810 3.330 5.829 1.139 16 1 "[ . 1 .+ 2]" 1
83 1 8 GLN HA 1 31 ILE MG 4.380 . 4.380 4.967 4.163 5.837 1.457 13 10 "[*** * ***1 +*. - 2]" 1
84 1 8 GLN HA 1 33 PHE HA 3.410 . 3.410 3.048 2.495 3.369 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLN HA 1 33 PHE QB 4.600 . 4.600 4.833 4.176 5.351 0.751 20 4 "[ *.- 1 * +]" 1
86 1 8 GLN HA 1 33 PHE QD 3.990 . 3.990 3.731 2.458 4.703 0.713 4 3 "[ +.* 1 . -]" 1
87 1 8 GLN HA 1 34 LEU H 4.220 . 4.220 3.739 3.491 4.157 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLN HA 1 34 LEU QD 4.130 . 4.130 3.392 3.135 3.777 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLN QB 1 9 ILE H 3.650 . 3.650 2.014 1.912 2.102 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLN QB 1 33 PHE QD 5.330 . 5.330 4.026 2.829 4.766 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLN QB 1 34 LEU QD 4.620 . 4.620 4.555 4.388 4.811 0.191 14 0 "[ . 1 . 2]" 1
92 1 8 GLN QB 1 64 TRP HE1 5.500 . 5.500 5.277 4.870 5.519 0.019 12 0 "[ . 1 . 2]" 1
93 1 8 GLN QE 1 8 GLN QG 3.020 . 3.020 2.636 2.190 2.682 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLN QE 1 9 ILE H 4.590 . 4.590 2.870 2.460 3.297 . 0 0 "[ . 1 . 2]" 1
95 1 8 GLN QE 1 9 ILE MD 5.500 . 5.500 5.512 5.105 5.811 0.311 11 0 "[ . 1 . 2]" 1
96 1 8 GLN QE 1 9 ILE MG 4.860 . 4.860 4.721 3.138 4.907 0.047 1 0 "[ . 1 . 2]" 1
97 1 8 GLN QG 1 9 ILE H 3.600 . 3.600 3.290 3.075 3.953 0.353 9 0 "[ . 1 . 2]" 1
98 1 8 GLN QG 1 9 ILE HA 5.340 . 5.340 4.284 4.049 5.544 0.204 9 0 "[ . 1 . 2]" 1
99 1 8 GLN QG 1 33 PHE QD 4.530 . 4.530 5.237 4.183 5.912 1.382 20 13 "[ ***-* 1** *****+]" 1
100 1 8 GLN QG 1 33 PHE QE 4.360 . 4.360 5.318 3.955 6.045 1.685 11 16 "[ * ******1+* -******]" 1
101 1 8 GLN QG 1 64 TRP HE1 4.630 . 4.630 3.796 3.360 4.282 . 0 0 "[ . 1 . 2]" 1
102 1 9 ILE H 1 9 ILE HB 2.990 . 2.990 2.433 2.262 2.744 . 0 0 "[ . 1 . 2]" 1
103 1 9 ILE H 1 9 ILE MD 3.730 . 3.730 3.867 3.662 4.445 0.715 16 1 "[ . 1 .+ 2]" 1
104 1 9 ILE H 1 9 ILE QG . . 3.370 2.600 2.191 3.999 0.629 16 1 "[ . 1 .+ 2]" 1
105 1 9 ILE H 1 9 ILE MG 3.790 . 3.790 3.653 1.909 3.809 0.019 9 0 "[ . 1 . 2]" 1
106 1 9 ILE H 1 31 ILE H 4.190 . 4.190 5.919 4.720 7.263 3.073 9 20 [********+**********-] 1
107 1 9 ILE H 1 33 PHE HA 4.550 . 4.550 5.231 4.492 5.715 1.165 20 13 "[ *.****1** ***-*+]" 1
108 1 9 ILE H 1 34 LEU H 4.890 . 4.890 5.722 5.345 6.047 1.157 8 19 "[*******+**-* *******]" 1
109 1 9 ILE H 1 34 LEU QD 3.500 . 3.500 3.945 3.688 4.285 0.785 7 6 "[ - . + ** *. * 2]" 1
110 1 9 ILE H 1 64 TRP HE1 5.190 . 5.190 5.497 4.946 5.979 0.789 7 7 "[* * +* 1 -* * 2]" 1
111 1 9 ILE HA 1 9 ILE MD 3.980 . 3.980 3.794 3.710 3.873 . 0 0 "[ . 1 . 2]" 1
112 1 9 ILE HA 1 9 ILE QG 3.790 . 3.790 2.352 2.202 2.498 . 0 0 "[ . 1 . 2]" 1
113 1 9 ILE HA 1 9 ILE MG 3.390 . 3.390 2.520 2.343 3.214 . 0 0 "[ . 1 . 2]" 1
114 1 9 ILE HA 1 10 ILE H 3.160 . 3.160 2.146 2.095 2.232 . 0 0 "[ . 1 . 2]" 1
115 1 9 ILE HA 1 10 ILE HA 4.400 . 4.400 4.377 4.292 4.429 0.029 9 0 "[ . 1 . 2]" 1
116 1 9 ILE HA 1 10 ILE HB 5.000 . 5.000 4.787 4.599 5.663 0.663 7 2 "[ . + - . 2]" 1
117 1 9 ILE HA 1 10 ILE MD 5.240 . 5.240 4.915 4.504 5.139 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE HA 1 10 ILE QG 4.660 . 4.660 3.476 3.026 3.739 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE HA 1 20 TYR QE 4.830 . 4.830 5.053 4.313 5.807 0.977 5 6 "[ * + * *1 *- . 2]" 1
120 1 9 ILE HA 1 34 LEU H 5.320 . 5.320 5.946 5.235 6.410 1.090 6 15 "[** *-+** *** * ****]" 1
121 1 9 ILE HA 1 34 LEU QD 3.530 . 3.530 3.115 2.603 3.551 0.021 10 0 "[ . 1 . 2]" 1
122 1 9 ILE HA 1 64 TRP HE1 4.270 . 4.270 4.223 3.573 4.697 0.427 7 0 "[ . 1 . 2]" 1
123 1 9 ILE HA 1 64 TRP HZ2 3.970 . 3.970 4.217 3.799 4.711 0.741 10 4 "[ * . * + . - 2]" 1
124 1 9 ILE HB 1 9 ILE MD 3.530 . 3.530 2.457 2.431 2.494 . 0 0 "[ . 1 . 2]" 1
125 1 9 ILE HB 1 10 ILE H 4.490 . 4.490 4.241 4.027 4.374 . 0 0 "[ . 1 . 2]" 1
126 1 9 ILE HB 1 31 ILE H 4.260 . 4.260 4.793 3.594 6.300 2.040 9 9 "[ -* . * +** **. * 2]" 1
127 1 9 ILE MD 1 9 ILE MG 2.890 . 2.890 1.873 1.786 1.927 . 0 0 "[ . 1 . 2]" 1
128 1 9 ILE MD 1 20 TYR QE 4.500 . 4.500 4.880 3.681 6.034 1.534 9 8 "[ ** * * +1 -* . * 2]" 1
129 1 9 ILE MD 1 28 VAL HA 4.370 . 4.370 3.433 2.579 4.718 0.348 17 0 "[ . 1 . 2]" 1
130 1 9 ILE MD 1 28 VAL QG 3.430 . 3.430 3.908 3.084 4.819 1.389 17 9 "[ **-. * ** * . + *2]" 1
131 1 9 ILE MD 1 29 LYS HA 4.500 . 4.500 4.397 3.346 5.446 0.946 13 4 "[ * . 1- + . * 2]" 1
132 1 9 ILE MD 1 30 ALA H 3.940 . 3.940 4.021 3.494 4.574 0.634 13 2 "[ . 1 + . - 2]" 1
133 1 9 ILE MD 1 31 ILE H 4.160 . 4.160 2.056 1.579 3.330 . 0 0 "[ . 1 . 2]" 1
134 1 9 ILE MD 1 31 ILE HA 4.470 . 4.470 3.923 3.590 5.002 0.532 16 1 "[ . 1 .+ 2]" 1
135 1 9 ILE MD 1 31 ILE HB 3.630 . 3.630 1.984 1.748 3.126 . 0 0 "[ . 1 . 2]" 1
136 1 9 ILE MD 1 31 ILE HG13 3.910 . 3.910 2.937 2.251 4.231 0.321 9 0 "[ . 1 . 2]" 1
137 1 9 ILE MD 1 32 ASN H 5.500 . 5.500 4.806 4.278 6.078 0.578 16 1 "[ . 1 .+ 2]" 1
138 1 9 ILE QG 1 9 ILE MG . . 3.260 2.361 2.311 2.389 . 0 0 "[ . 1 . 2]" 1
139 1 9 ILE QG 1 10 ILE H 4.460 . 4.460 3.956 2.358 4.342 . 0 0 "[ . 1 . 2]" 1
140 1 9 ILE QG 1 28 VAL HA 5.110 . 5.110 4.835 4.155 5.735 0.625 17 1 "[ . 1 . + 2]" 1
141 1 9 ILE QG 1 28 VAL QG 4.960 . 4.960 4.732 3.847 5.447 0.487 17 0 "[ . 1 . 2]" 1
142 1 9 ILE QG 1 31 ILE H 4.820 . 4.820 3.714 3.098 5.151 0.331 16 0 "[ . 1 . 2]" 1
143 1 9 ILE QG 1 31 ILE HB 4.170 . 4.170 2.782 2.219 3.912 . 0 0 "[ . 1 . 2]" 1
144 1 9 ILE QG 1 34 LEU QD 3.150 . 3.150 2.487 2.139 3.260 0.110 16 0 "[ . 1 . 2]" 1
145 1 9 ILE MG 1 10 ILE H 3.600 . 3.600 2.805 2.269 3.806 0.206 16 0 "[ . 1 . 2]" 1
146 1 9 ILE MG 1 20 TYR QE 4.490 . 4.490 4.582 3.955 5.990 1.500 16 2 "[ . - 1 .+ 2]" 1
147 1 9 ILE MG 1 28 VAL HA 4.720 . 4.720 5.137 4.320 6.032 1.312 10 9 "[ *. * +* **.-* *2]" 1
148 1 9 ILE MG 1 28 VAL QG 3.550 . 3.550 4.450 3.755 5.118 1.568 16 18 "[****.** -******+****]" 1
149 1 9 ILE MG 1 30 ALA MB 4.930 . 4.930 5.989 5.338 6.202 1.272 11 18 "[**********+**** **-2]" 1
150 1 10 ILE H 1 10 ILE HB 3.830 . 3.830 2.683 2.492 3.622 . 0 0 "[ . 1 . 2]" 1
151 1 10 ILE H 1 10 ILE MD 4.500 . 4.500 3.563 3.418 3.812 . 0 0 "[ . 1 . 2]" 1
152 1 10 ILE H 1 10 ILE QG . . 3.980 2.068 1.771 2.473 . 0 0 "[ . 1 . 2]" 1
153 1 10 ILE H 1 10 ILE MG 4.080 . 4.080 3.651 2.341 3.824 . 0 0 "[ . 1 . 2]" 1
154 1 10 ILE H 1 11 HIS H 4.680 . 4.680 4.551 4.400 4.620 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE H 1 18 ILE MD 4.850 . 4.850 3.822 3.233 4.664 . 0 0 "[ . 1 . 2]" 1
156 1 10 ILE HA 1 10 ILE MD 4.360 . 4.360 3.909 3.834 4.189 . 0 0 "[ . 1 . 2]" 1
157 1 10 ILE HA 1 10 ILE QG . . 3.780 2.572 2.409 3.308 . 0 0 "[ . 1 . 2]" 1
158 1 10 ILE HA 1 10 ILE MG 3.310 . 3.310 2.346 2.260 2.419 . 0 0 "[ . 1 . 2]" 1
159 1 10 ILE HA 1 11 HIS H 2.760 . 2.760 2.235 2.138 2.466 . 0 0 "[ . 1 . 2]" 1
160 1 10 ILE HA 1 11 HIS QB 4.540 . 4.540 4.300 3.977 4.630 0.090 20 0 "[ . 1 . 2]" 1
161 1 10 ILE HA 1 11 HIS HD2 4.890 . 4.890 4.589 3.030 6.113 1.223 17 6 "[ . 1* -*.*+* 2]" 1
162 1 10 ILE HA 1 64 TRP HE1 4.820 . 4.820 5.082 4.628 5.616 0.796 20 3 "[ .* 1 . - +]" 1
163 1 10 ILE HA 1 67 MET ME 4.480 . 4.480 4.672 3.107 6.029 1.549 10 9 "[ * * **+ * .- **]" 1
164 1 10 ILE HB 1 10 ILE MD 3.680 . 3.680 2.415 2.353 2.492 . 0 0 "[ . 1 . 2]" 1
165 1 10 ILE HB 1 11 HIS H 3.990 . 3.990 3.794 2.325 4.278 0.288 8 0 "[ . 1 . 2]" 1
166 1 10 ILE HB 1 11 HIS HA 5.290 . 5.290 4.996 4.589 5.254 . 0 0 "[ . 1 . 2]" 1
167 1 10 ILE HB 1 11 HIS QB 5.340 . 5.340 5.465 4.429 5.900 0.560 8 2 "[ - . + 1 . 2]" 1
168 1 10 ILE HB 1 18 ILE MD 4.020 . 4.020 2.648 2.025 4.592 0.572 10 1 "[ . + . 2]" 1
169 1 10 ILE HB 1 40 ILE MD 4.610 . 4.610 4.209 3.626 5.630 1.020 10 2 "[ . - + . 2]" 1
170 1 10 ILE HB 1 64 TRP HE1 5.500 . 5.500 5.091 4.654 5.599 0.099 20 0 "[ . 1 . 2]" 1
171 1 10 ILE MD 1 10 ILE MG 3.180 . 3.180 1.943 1.889 2.013 . 0 0 "[ . 1 . 2]" 1
172 1 10 ILE MD 1 11 HIS H 5.140 . 5.140 4.934 4.284 5.314 0.174 8 0 "[ . 1 . 2]" 1
173 1 10 ILE MD 1 18 ILE MD 4.260 . 4.260 2.568 2.132 3.182 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE MD 1 20 TYR QE 5.500 . 5.500 5.928 5.156 6.082 0.582 19 13 "[ * *** *- ***** +*]" 1
175 1 10 ILE MD 1 40 ILE H 5.500 . 5.500 6.333 5.535 6.959 1.459 12 17 "[******** **+*-** * *]" 1
176 1 10 ILE MD 1 40 ILE MD 2.940 . 2.940 2.337 1.907 2.854 . 0 0 "[ . 1 . 2]" 1
177 1 10 ILE MD 1 40 ILE HG12 4.540 . 4.540 4.524 3.884 4.981 0.441 12 0 "[ . 1 . 2]" 1
178 1 10 ILE MD 1 40 ILE HG13 4.740 . 4.740 4.413 3.646 5.152 0.412 12 0 "[ . 1 . 2]" 1
179 1 10 ILE MD 1 42 TYR QE 4.950 . 4.950 3.541 2.771 4.832 . 0 0 "[ . 1 . 2]" 1
180 1 10 ILE MD 1 56 ARG QB 4.400 . 4.400 3.837 2.792 4.754 0.354 10 0 "[ . 1 . 2]" 1
181 1 10 ILE MD 1 56 ARG QD . . 3.780 4.219 2.867 5.641 1.861 15 8 "[ * .** * *- + *]" 1
182 1 10 ILE MD 1 63 SER HA 5.500 . 5.500 5.743 5.214 6.039 0.539 19 5 "[ * 1- * . *+2]" 1
183 1 10 ILE MD 1 64 TRP H 4.780 . 4.780 4.626 3.887 5.242 0.462 7 0 "[ . 1 . 2]" 1
184 1 10 ILE MD 1 64 TRP HA 5.410 . 5.410 5.543 5.052 6.053 0.643 20 3 "[ . - * . +]" 1
185 1 10 ILE MD 1 64 TRP QB 4.370 . 4.370 3.416 2.737 4.128 . 0 0 "[ . 1 . 2]" 1
186 1 10 ILE MD 1 64 TRP HD1 3.710 . 3.710 2.800 2.396 3.339 . 0 0 "[ . 1 . 2]" 1
187 1 10 ILE MD 1 64 TRP HE1 3.840 . 3.840 2.965 2.493 3.570 . 0 0 "[ . 1 . 2]" 1
188 1 10 ILE MD 1 64 TRP HE3 4.940 . 4.940 4.935 4.280 5.479 0.539 20 2 "[ . - . +]" 1
189 1 10 ILE MD 1 64 TRP HZ2 4.640 . 4.640 4.264 3.652 4.858 0.218 6 0 "[ . 1 . 2]" 1
190 1 10 ILE MD 1 65 THR H 5.140 . 5.140 6.244 5.583 6.967 1.827 18 19 "[*- **************+**]" 1
191 1 10 ILE MD 1 67 MET H 5.360 . 5.360 6.359 5.670 7.367 2.007 16 18 "[**-*.**********+** *]" 1
192 1 10 ILE MD 1 67 MET HA 5.030 . 5.030 4.763 4.034 5.842 0.812 7 2 "[ . + 1 . -]" 1
193 1 10 ILE MD 1 67 MET ME 3.560 . 3.560 2.783 1.791 4.905 1.345 5 4 "[ * + -1 . *2]" 1
194 1 10 ILE QG 1 10 ILE MG . . 3.340 2.311 2.259 2.362 . 0 0 "[ . 1 . 2]" 1
195 1 10 ILE QG 1 11 HIS H . . 4.670 4.126 3.605 4.316 . 0 0 "[ . 1 . 2]" 1
196 1 10 ILE QG 1 18 ILE MD . . 5.190 3.537 2.525 4.178 . 0 0 "[ . 1 . 2]" 1
197 1 10 ILE QG 1 40 ILE MD 4.680 . 4.680 3.575 3.059 4.239 . 0 0 "[ . 1 . 2]" 1
198 1 10 ILE QG 1 64 TRP H 5.360 . 5.360 5.362 4.470 6.986 1.626 7 4 "[ . + * * . -]" 1
199 1 10 ILE QG 1 64 TRP HD1 . . 4.420 3.355 2.744 4.901 0.481 7 0 "[ . 1 . 2]" 1
200 1 10 ILE QG 1 64 TRP HE1 3.640 . 3.640 2.622 2.284 3.390 . 0 0 "[ . 1 . 2]" 1
201 1 10 ILE QG 1 64 TRP HZ2 4.440 . 4.440 4.058 3.568 4.764 0.324 10 0 "[ . 1 . 2]" 1
202 1 10 ILE QG 1 67 MET ME 4.500 . 4.500 3.042 1.994 4.630 0.130 5 0 "[ . 1 . 2]" 1
203 1 10 ILE MG 1 11 HIS H 3.310 . 3.310 2.509 1.728 3.617 0.307 7 0 "[ . 1 . 2]" 1
204 1 10 ILE MG 1 11 HIS QB 4.630 . 4.630 3.835 3.297 5.263 0.633 7 2 "[ . + - . 2]" 1
205 1 10 ILE MG 1 18 ILE MD 3.900 . 3.900 3.205 2.450 4.480 0.580 10 2 "[ . - + . 2]" 1
206 1 10 ILE MG 1 40 ILE MD 4.620 . 4.620 4.429 4.042 5.085 0.465 12 0 "[ . 1 . 2]" 1
207 1 10 ILE MG 1 42 TYR QE 4.610 . 4.610 4.072 2.963 6.028 1.418 10 3 "[ . - + * . 2]" 1
208 1 10 ILE MG 1 64 TRP HD1 4.710 . 4.710 4.668 2.199 5.302 0.592 20 3 "[ . 1 - .* +]" 1
209 1 10 ILE MG 1 64 TRP HE1 5.190 . 5.190 4.756 2.002 5.353 0.163 14 0 "[ . 1 . 2]" 1
210 1 10 ILE MG 1 67 MET ME 3.770 . 3.770 3.302 1.901 5.083 1.313 5 4 "[ * + *1 . -2]" 1
211 1 11 HIS H 1 11 HIS QB 2.960 . 2.960 2.324 2.133 2.468 . 0 0 "[ . 1 . 2]" 1
212 1 11 HIS H 1 11 HIS HD2 3.430 . 3.430 3.307 2.243 4.704 1.274 16 6 "[ . 1* *-.+** 2]" 1
213 1 11 HIS H 1 67 MET ME 5.250 . 5.250 5.608 3.642 7.124 1.874 5 10 "[ * +- *** * .* **]" 1
214 1 11 HIS HA 1 11 HIS HD2 4.980 . 4.980 3.531 2.253 4.584 . 0 0 "[ . 1 . 2]" 1
215 1 13 PRO HA 1 14 TRP H 3.040 . 3.040 3.226 2.755 3.565 0.525 16 4 "[ **. 1 .+ -]" 1
216 1 13 PRO HA 1 14 TRP HB2 4.790 . 4.790 5.045 4.641 5.388 0.598 16 3 "[ *-. 1 .+ 2]" 1
217 1 13 PRO QB 1 14 TRP H 3.400 . 3.400 1.784 1.378 2.316 . 0 0 "[ . 1 . 2]" 1
218 1 13 PRO QB 1 14 TRP HA 5.080 . 5.080 4.041 3.804 4.224 . 0 0 "[ . 1 . 2]" 1
219 1 13 PRO QB 1 14 TRP HB2 4.830 . 4.830 3.440 3.083 3.975 . 0 0 "[ . 1 . 2]" 1
220 1 13 PRO HB2 1 14 TRP H 3.920 . 3.920 1.800 1.380 2.343 . 0 0 "[ . 1 . 2]" 1
221 1 13 PRO HB2 1 14 TRP HB2 5.500 . 5.500 3.522 3.123 4.189 . 0 0 "[ . 1 . 2]" 1
222 1 13 PRO HB3 1 14 TRP H 3.920 . 3.920 3.188 2.565 3.740 . 0 0 "[ . 1 . 2]" 1
223 1 13 PRO HB3 1 14 TRP HB2 5.500 . 5.500 4.955 4.546 5.387 . 0 0 "[ . 1 . 2]" 1
224 1 13 PRO QD 1 17 GLY H . . 4.500 5.168 4.167 6.546 2.046 3 11 "[* +*. **1-* .*** *]" 1
225 1 13 PRO QD 1 18 ILE MD 3.930 . 3.930 3.711 2.532 4.432 0.502 2 1 "[ + . 1 . 2]" 1
226 1 13 PRO QD 1 18 ILE QG 4.620 . 4.620 3.771 2.403 4.573 . 0 0 "[ . 1 . 2]" 1
227 1 13 PRO QD 1 42 TYR QD 4.150 . 4.150 4.534 3.592 5.553 1.403 16 7 "[ . *1** .+ *-*]" 1
228 1 13 PRO QD 1 42 TYR QE 4.060 . 4.060 4.200 3.298 5.110 1.050 16 4 "[ . 1 * .+ - *]" 1
229 1 13 PRO QG 1 14 TRP H 3.850 . 3.850 2.959 1.767 4.041 0.191 15 0 "[ . 1 . 2]" 1
230 1 13 PRO QG 1 16 GLY H 5.150 . 5.150 5.751 4.650 7.093 1.943 8 11 "[* *-.* + 1* ***** 2]" 1
231 1 13 PRO QG 1 16 GLY QA 4.380 . 4.380 5.179 3.896 6.702 2.322 16 13 "[* **.* * 1*****+- *]" 1
232 1 13 PRO QG 1 18 ILE MD 4.050 . 4.050 4.445 3.284 5.657 1.607 4 9 "[ **+. - *1 .** **]" 1
233 1 13 PRO QG 1 18 ILE QG 4.610 . 4.610 4.629 3.023 5.911 1.301 4 5 "[ **+. 1 .-* 2]" 1
234 1 13 PRO QG 1 42 TYR QD 4.250 . 4.250 4.031 2.370 5.658 1.408 16 5 "[ - . *1 * .+ *]" 1
235 1 13 PRO QG 1 42 TYR QE 4.640 . 4.640 3.625 2.613 4.693 0.053 16 0 "[ . 1 . 2]" 1
236 1 14 TRP H 1 14 TRP HB2 3.250 . 3.250 2.437 2.193 2.747 . 0 0 "[ . 1 . 2]" 1
237 1 14 TRP H 1 14 TRP HB3 3.270 . 3.270 2.766 2.526 2.975 . 0 0 "[ . 1 . 2]" 1
238 1 14 TRP H 1 14 TRP HD1 5.380 . 5.380 5.229 4.848 5.391 0.011 15 0 "[ . 1 . 2]" 1
239 1 14 TRP H 1 14 TRP HE3 4.990 . 4.990 4.279 3.677 4.684 . 0 0 "[ . 1 . 2]" 1
240 1 14 TRP HA 1 14 TRP HD1 4.540 . 4.540 4.265 2.369 4.653 0.113 4 0 "[ . 1 . 2]" 1
241 1 14 TRP HA 1 14 TRP HE3 4.080 . 4.080 2.599 1.881 5.001 0.921 19 1 "[ . 1 . +2]" 1
242 1 14 TRP HA 1 15 GLU H 3.370 . 3.370 2.603 2.290 2.710 . 0 0 "[ . 1 . 2]" 1
243 1 14 TRP HB2 1 15 GLU H 4.510 . 4.510 3.774 3.664 4.020 . 0 0 "[ . 1 . 2]" 1
244 1 14 TRP HB3 1 14 TRP HD1 3.730 . 3.730 2.619 2.548 3.453 . 0 0 "[ . 1 . 2]" 1
245 1 14 TRP HB3 1 14 TRP HE1 4.870 . 4.870 4.784 4.747 5.093 0.223 19 0 "[ . 1 . 2]" 1
246 1 14 TRP HB3 1 15 GLU H 4.430 . 4.430 2.969 2.660 3.737 . 0 0 "[ . 1 . 2]" 1
247 1 14 TRP HB3 1 16 GLY H 5.500 . 5.500 4.844 2.301 5.813 0.313 10 0 "[ . 1 . 2]" 1
248 1 14 TRP HD1 1 15 GLU H 5.290 . 5.290 2.780 1.468 3.545 . 0 0 "[ . 1 . 2]" 1
249 1 14 TRP HD1 1 15 GLU QG 4.620 . 4.620 3.740 2.284 5.877 1.257 12 2 "[ - 1 + . 2]" 1
250 1 14 TRP HE1 1 15 GLU QB 4.490 . 4.490 4.063 2.964 4.965 0.475 16 0 "[ . 1 . 2]" 1
251 1 14 TRP HE1 1 15 GLU QG . . 4.470 3.712 2.734 5.498 1.028 12 1 "[ . 1 + . 2]" 1
252 1 14 TRP HE3 1 15 GLU H 5.250 . 5.250 4.263 3.442 5.259 0.009 9 0 "[ . 1 . 2]" 1
253 1 15 GLU H 1 15 GLU QG 4.370 . 4.370 2.263 1.861 3.456 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLU H 1 16 GLY H 4.500 . 4.500 3.948 2.634 4.295 . 0 0 "[ . 1 . 2]" 1
255 1 15 GLU QG 1 16 GLY H 4.970 . 4.970 4.431 2.930 4.869 . 0 0 "[ . 1 . 2]" 1
256 1 16 GLY H 1 17 GLY H 4.630 . 4.630 4.241 3.752 4.470 . 0 0 "[ . 1 . 2]" 1
257 1 16 GLY H 1 44 CYS HA 5.190 . 5.190 4.838 4.434 5.318 0.128 12 0 "[ . 1 . 2]" 1
258 1 16 GLY H 1 45 ARG H 5.020 . 5.020 4.614 3.664 5.280 0.260 12 0 "[ . 1 . 2]" 1
259 1 16 GLY QA 1 17 GLY H . . 3.360 2.198 2.114 2.301 . 0 0 "[ . 1 . 2]" 1
260 1 16 GLY QA 1 44 CYS H 5.500 . 5.500 4.487 4.117 4.930 . 0 0 "[ . 1 . 2]" 1
261 1 16 GLY QA 1 44 CYS HA 3.660 . 3.660 2.164 1.777 2.578 . 0 0 "[ . 1 . 2]" 1
262 1 16 GLY QA 1 45 ARG H . . 3.420 2.495 1.641 3.529 0.109 9 0 "[ . 1 . 2]" 1
263 1 17 GLY H 1 18 ILE H 4.440 . 4.440 4.355 4.329 4.403 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLY H 1 42 TYR HA 5.500 . 5.500 4.813 4.401 5.519 0.019 3 0 "[ . 1 . 2]" 1
265 1 17 GLY H 1 43 VAL H 3.780 . 3.780 3.686 3.295 4.278 0.498 20 0 "[ . 1 . 2]" 1
266 1 17 GLY H 1 43 VAL QG . . 3.840 3.002 2.542 3.722 . 0 0 "[ . 1 . 2]" 1
267 1 17 GLY H 1 44 CYS HA 4.130 . 4.130 3.196 2.316 3.686 . 0 0 "[ . 1 . 2]" 1
268 1 17 GLY H 1 45 ARG H 4.620 . 4.620 4.589 2.978 5.264 0.644 11 6 "[ * .- * 1+ * * 2]" 1
269 1 17 GLY H 1 45 ARG QB 5.500 . 5.500 5.335 3.101 6.587 1.087 8 6 "[ * -* + 1* * . 2]" 1
270 1 17 GLY H 1 45 ARG QG 5.250 . 5.250 5.409 4.405 6.269 1.019 10 7 "[* . + -*** *]" 1
271 1 17 GLY H 1 50 VAL QG 5.500 . 5.500 5.037 4.574 5.512 0.012 2 0 "[ . 1 . 2]" 1
272 1 17 GLY QA 1 43 VAL H 4.970 . 4.970 4.332 4.040 4.568 . 0 0 "[ . 1 . 2]" 1
273 1 17 GLY QA 1 43 VAL QG 3.770 . 3.770 2.954 2.313 3.700 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLY HA2 1 18 ILE H 3.260 . 3.260 2.688 2.639 2.742 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLY HA2 1 43 VAL QG 4.440 . 4.440 4.134 3.685 4.876 0.436 9 0 "[ . 1 . 2]" 1
276 1 17 GLY HA3 1 18 ILE H 3.260 . 3.260 2.452 2.405 2.482 . 0 0 "[ . 1 . 2]" 1
277 1 17 GLY HA3 1 43 VAL QG 4.440 . 4.440 3.029 2.337 3.865 . 0 0 "[ . 1 . 2]" 1
278 1 18 ILE H 1 18 ILE HB 3.270 . 3.270 2.606 2.474 2.785 . 0 0 "[ . 1 . 2]" 1
279 1 18 ILE H 1 18 ILE MD 4.860 . 4.860 4.327 4.183 4.555 . 0 0 "[ . 1 . 2]" 1
280 1 18 ILE H 1 18 ILE QG . . 4.510 3.165 2.997 3.412 . 0 0 "[ . 1 . 2]" 1
281 1 18 ILE H 1 18 ILE MG 3.870 . 3.870 3.757 3.703 3.810 . 0 0 "[ . 1 . 2]" 1
282 1 18 ILE H 1 19 ARG H 4.540 . 4.540 4.317 4.194 4.404 . 0 0 "[ . 1 . 2]" 1
283 1 18 ILE H 1 20 TYR QE 5.040 . 5.040 4.969 4.328 5.952 0.912 9 2 "[ . +1 . -]" 1
284 1 18 ILE H 1 43 VAL QG . . 3.850 3.524 2.915 4.155 0.305 3 0 "[ . 1 . 2]" 1
285 1 18 ILE HA 1 18 ILE MD 3.910 . 3.910 3.712 3.695 3.740 . 0 0 "[ . 1 . 2]" 1
286 1 18 ILE HA 1 18 ILE QG . . 4.020 2.194 2.163 2.249 . 0 0 "[ . 1 . 2]" 1
287 1 18 ILE HA 1 18 ILE MG 3.330 . 3.330 2.572 2.502 2.614 . 0 0 "[ . 1 . 2]" 1
288 1 18 ILE HA 1 19 ARG H 2.850 . 2.850 2.093 2.058 2.141 . 0 0 "[ . 1 . 2]" 1
289 1 18 ILE HA 1 42 TYR HA 3.880 . 3.880 2.803 2.523 3.064 . 0 0 "[ . 1 . 2]" 1
290 1 18 ILE HA 1 43 VAL H 3.490 . 3.490 2.906 2.546 3.326 . 0 0 "[ . 1 . 2]" 1
291 1 18 ILE HB 1 18 ILE MD 3.280 . 3.280 2.484 2.466 2.505 . 0 0 "[ . 1 . 2]" 1
292 1 18 ILE HB 1 20 TYR QE 4.350 . 4.350 3.908 3.100 4.767 0.417 9 0 "[ . 1 . 2]" 1
293 1 18 ILE HB 1 43 VAL H 4.810 . 4.810 5.775 5.421 6.083 1.273 12 20 [****-******+********] 1
294 1 18 ILE HB 1 43 VAL QG 4.490 . 4.490 4.944 4.638 5.371 0.881 9 8 "[* * . +1** *. -*]" 1
295 1 18 ILE MD 1 18 ILE MG 3.040 . 3.040 1.904 1.853 1.934 . 0 0 "[ . 1 . 2]" 1
296 1 18 ILE MD 1 20 TYR QD 5.500 . 5.500 5.532 5.257 5.768 0.268 16 0 "[ . 1 . 2]" 1
297 1 18 ILE MD 1 20 TYR QE 4.400 . 4.400 4.460 4.099 4.898 0.498 10 0 "[ . 1 . 2]" 1
298 1 18 ILE MD 1 40 ILE MD 3.520 . 3.520 2.123 1.807 2.544 . 0 0 "[ . 1 . 2]" 1
299 1 18 ILE MD 1 40 ILE MG 4.170 . 4.170 3.874 3.566 4.136 . 0 0 "[ . 1 . 2]" 1
300 1 18 ILE MD 1 41 GLU H 5.070 . 5.070 5.426 4.902 5.923 0.853 20 5 "[ . * *1 * . -+]" 1
301 1 18 ILE MD 1 42 TYR HA 4.730 . 4.730 4.681 4.254 5.247 0.517 20 2 "[ . 1 - . +]" 1
302 1 18 ILE MD 1 42 TYR QD 4.300 . 4.300 3.966 3.054 4.665 0.365 19 0 "[ . 1 . 2]" 1
303 1 18 ILE MD 1 42 TYR QE 3.820 . 3.820 3.124 2.379 3.896 0.076 19 0 "[ . 1 . 2]" 1
304 1 18 ILE QG 1 19 ARG H . . 4.260 3.660 3.547 3.824 . 0 0 "[ . 1 . 2]" 1
305 1 18 ILE QG 1 19 ARG QB 5.190 . 5.190 5.237 5.136 5.411 0.221 12 0 "[ . 1 . 2]" 1
306 1 18 ILE QG 1 43 VAL H . . 4.910 4.182 3.761 4.851 . 0 0 "[ . 1 . 2]" 1
307 1 18 ILE MG 1 19 ARG H 3.290 . 3.290 2.529 2.367 2.733 . 0 0 "[ . 1 . 2]" 1
308 1 18 ILE MG 1 19 ARG QB 4.530 . 4.530 3.966 3.871 4.127 . 0 0 "[ . 1 . 2]" 1
309 1 18 ILE MG 1 19 ARG QD 4.600 . 4.600 5.073 4.626 5.862 1.262 17 7 "[* *. - 1* . +**2]" 1
310 1 18 ILE MG 1 20 TYR H 4.690 . 4.690 4.014 3.432 4.591 . 0 0 "[ . 1 . 2]" 1
311 1 18 ILE MG 1 20 TYR QD 4.100 . 4.100 3.446 3.171 3.707 . 0 0 "[ . 1 . 2]" 1
312 1 18 ILE MG 1 20 TYR QE 3.770 . 3.770 3.080 2.866 3.442 . 0 0 "[ . 1 . 2]" 1
313 1 18 ILE MG 1 40 ILE HB 3.210 . 3.210 2.127 1.861 2.354 . 0 0 "[ . 1 . 2]" 1
314 1 18 ILE MG 1 40 ILE MD 3.710 . 3.710 2.280 1.936 2.716 . 0 0 "[ . 1 . 2]" 1
315 1 18 ILE MG 1 40 ILE HG13 4.380 . 4.380 3.601 3.291 3.906 . 0 0 "[ . 1 . 2]" 1
316 1 18 ILE MG 1 40 ILE MG 3.360 . 3.360 2.704 2.401 2.997 . 0 0 "[ . 1 . 2]" 1
317 1 18 ILE MG 1 41 GLU H 3.780 . 3.780 3.176 2.609 3.674 . 0 0 "[ . 1 . 2]" 1
318 1 18 ILE MG 1 41 GLU HA 5.500 . 5.500 4.871 4.333 5.249 . 0 0 "[ . 1 . 2]" 1
319 1 18 ILE MG 1 42 TYR HA 4.570 . 4.570 4.128 3.721 4.383 . 0 0 "[ . 1 . 2]" 1
320 1 18 ILE MG 1 43 VAL H 5.150 . 5.150 4.814 4.438 5.105 . 0 0 "[ . 1 . 2]" 1
321 1 19 ARG H 1 19 ARG QB . . 3.350 2.312 2.192 2.416 . 0 0 "[ . 1 . 2]" 1
322 1 19 ARG H 1 19 ARG QD . . 4.300 4.186 3.608 4.802 0.502 17 1 "[ . 1 . + 2]" 1
323 1 19 ARG H 1 19 ARG HG2 5.060 . 5.060 4.677 4.467 4.799 . 0 0 "[ . 1 . 2]" 1
324 1 19 ARG H 1 19 ARG QG 4.270 . 4.270 4.087 4.003 4.180 . 0 0 "[ . 1 . 2]" 1
325 1 19 ARG H 1 19 ARG HG3 5.060 . 5.060 4.511 4.408 4.649 . 0 0 "[ . 1 . 2]" 1
326 1 19 ARG H 1 20 TYR H 4.600 . 4.600 4.415 4.200 4.545 . 0 0 "[ . 1 . 2]" 1
327 1 19 ARG H 1 20 TYR HA 5.160 . 5.160 4.953 4.755 5.103 . 0 0 "[ . 1 . 2]" 1
328 1 19 ARG H 1 20 TYR QE 5.140 . 5.140 5.771 5.431 6.184 1.044 10 16 "[* *-****+** ******]" 1
329 1 19 ARG H 1 40 ILE HB 4.140 . 4.140 3.854 3.493 4.423 0.283 13 0 "[ . 1 . 2]" 1
330 1 19 ARG H 1 40 ILE HG13 5.500 . 5.500 5.509 4.939 5.861 0.361 13 0 "[ . 1 . 2]" 1
331 1 19 ARG H 1 40 ILE MG 5.250 . 5.250 4.865 4.465 5.438 0.188 13 0 "[ . 1 . 2]" 1
332 1 19 ARG H 1 41 GLU H 3.580 . 3.580 2.917 2.604 3.111 . 0 0 "[ . 1 . 2]" 1
333 1 19 ARG H 1 41 GLU HA 5.020 . 5.020 4.612 4.455 4.752 . 0 0 "[ . 1 . 2]" 1
334 1 19 ARG H 1 41 GLU QB . . 4.140 3.390 3.071 3.852 . 0 0 "[ . 1 . 2]" 1
335 1 19 ARG H 1 41 GLU QG 5.340 . 5.340 4.334 3.894 4.976 . 0 0 "[ . 1 . 2]" 1
336 1 19 ARG H 1 42 TYR HA 4.010 . 4.010 3.525 3.116 4.001 . 0 0 "[ . 1 . 2]" 1
337 1 19 ARG H 1 43 VAL H 4.350 . 4.350 3.415 3.096 3.839 . 0 0 "[ . 1 . 2]" 1
338 1 19 ARG H 1 43 VAL QG . . 4.000 2.953 2.484 3.411 . 0 0 "[ . 1 . 2]" 1
339 1 19 ARG HA 1 19 ARG HG2 4.240 . 4.240 3.655 2.856 3.762 . 0 0 "[ . 1 . 2]" 1
340 1 19 ARG HA 1 19 ARG HG3 4.240 . 4.240 2.845 2.520 3.069 . 0 0 "[ . 1 . 2]" 1
341 1 19 ARG HA 1 20 TYR QD 4.730 . 4.730 3.653 3.271 4.207 . 0 0 "[ . 1 . 2]" 1
342 1 19 ARG HA 1 43 VAL QG 4.280 . 4.280 3.439 3.035 3.831 . 0 0 "[ . 1 . 2]" 1
343 1 19 ARG QB 1 19 ARG QD . . 3.350 2.397 2.213 2.874 . 0 0 "[ . 1 . 2]" 1
344 1 19 ARG QB 1 41 GLU H 3.750 . 3.750 2.773 2.264 3.337 . 0 0 "[ . 1 . 2]" 1
345 1 19 ARG QB 1 41 GLU QB 4.210 . 4.210 1.745 1.415 2.392 . 0 0 "[ . 1 . 2]" 1
346 1 19 ARG QB 1 43 VAL H 5.390 . 5.390 3.617 2.727 4.325 . 0 0 "[ . 1 . 2]" 1
347 1 19 ARG QB 1 43 VAL QG . . 3.940 1.929 1.728 2.366 . 0 0 "[ . 1 . 2]" 1
348 1 19 ARG QD 1 43 VAL QG 4.470 . 4.470 2.554 1.851 3.816 . 0 0 "[ . 1 . 2]" 1
349 1 19 ARG QG 1 20 TYR H 4.150 . 4.150 2.933 2.361 3.694 . 0 0 "[ . 1 . 2]" 1
350 1 19 ARG HG2 1 20 TYR H 4.720 . 4.720 4.454 2.577 5.188 0.468 18 0 "[ . 1 . 2]" 1
351 1 19 ARG HG3 1 20 TYR H 4.720 . 4.720 3.010 2.381 3.781 . 0 0 "[ . 1 . 2]" 1
352 1 20 TYR H 1 21 ARG H 4.480 . 4.480 4.407 4.345 4.472 . 0 0 "[ . 1 . 2]" 1
353 1 20 TYR H 1 23 LEU H 5.250 . 5.250 4.961 3.950 5.727 0.477 1 0 "[ . 1 . 2]" 1
354 1 20 TYR H 1 40 ILE MG 5.190 . 5.190 4.629 4.140 5.170 . 0 0 "[ . 1 . 2]" 1
355 1 20 TYR HA 1 20 TYR QD 3.910 . 3.910 2.904 2.636 3.060 . 0 0 "[ . 1 . 2]" 1
356 1 20 TYR HA 1 21 ARG H 2.890 . 2.890 2.731 2.689 2.779 . 0 0 "[ . 1 . 2]" 1
357 1 20 TYR HA 1 21 ARG QB 4.450 . 4.450 4.227 3.806 4.847 0.397 17 0 "[ . 1 . 2]" 1
358 1 20 TYR HA 1 38 TYR QD 4.280 . 4.280 4.637 3.007 5.414 1.134 5 6 "[ * + *1 * .- *2]" 1
359 1 20 TYR HA 1 38 TYR QE 3.700 . 3.700 2.952 2.547 3.535 . 0 0 "[ . 1 . 2]" 1
360 1 20 TYR HA 1 40 ILE MG 4.320 . 4.320 2.287 1.824 2.977 . 0 0 "[ . 1 . 2]" 1
361 1 20 TYR QB 1 21 ARG H 4.190 . 4.190 1.902 1.801 2.034 . 0 0 "[ . 1 . 2]" 1
362 1 20 TYR QB 1 21 ARG QB 4.360 . 4.360 3.815 3.525 4.102 . 0 0 "[ . 1 . 2]" 1
363 1 20 TYR QB 1 23 LEU H . . 4.490 2.946 2.385 3.464 . 0 0 "[ . 1 . 2]" 1
364 1 20 TYR QB 1 23 LEU HB2 4.750 . 4.750 2.282 1.948 2.619 . 0 0 "[ . 1 . 2]" 1
365 1 20 TYR QB 1 23 LEU HB3 . . 4.310 3.773 3.415 3.974 . 0 0 "[ . 1 . 2]" 1
366 1 20 TYR QB 1 23 LEU QD 3.570 . 3.570 2.588 2.290 3.096 . 0 0 "[ . 1 . 2]" 1
367 1 20 TYR QB 1 23 LEU HG 4.870 . 4.870 3.203 2.628 4.064 . 0 0 "[ . 1 . 2]" 1
368 1 20 TYR QB 1 28 VAL QG . . 3.730 3.710 2.948 4.353 0.623 5 1 "[ + 1 . 2]" 1
369 1 20 TYR QB 1 38 TYR QE 4.030 . 4.030 2.405 1.524 3.104 . 0 0 "[ . 1 . 2]" 1
370 1 20 TYR QD 1 21 ARG H 4.550 . 4.550 3.621 3.362 3.958 . 0 0 "[ . 1 . 2]" 1
371 1 20 TYR QD 1 23 LEU QD 3.730 . 3.730 2.729 2.410 3.578 . 0 0 "[ . 1 . 2]" 1
372 1 20 TYR QD 1 28 VAL QG . . 3.330 3.011 2.667 3.622 0.292 5 0 "[ . 1 . 2]" 1
373 1 20 TYR QD 1 31 ILE MD 5.250 . 5.250 4.881 3.989 5.899 0.649 5 2 "[ + 1- . 2]" 1
374 1 20 TYR QD 1 34 LEU QD 3.710 . 3.710 3.451 2.957 4.027 0.317 5 0 "[ . 1 . 2]" 1
375 1 20 TYR QD 1 34 LEU HG 5.210 . 5.210 4.105 3.540 4.838 . 0 0 "[ . 1 . 2]" 1
376 1 20 TYR QD 1 38 TYR QE 2.510 . 2.510 2.005 1.765 2.508 . 0 0 "[ . 1 . 2]" 1
377 1 20 TYR QD 1 40 ILE HA 5.010 . 5.010 4.645 3.744 5.044 0.034 1 0 "[ . 1 . 2]" 1
378 1 20 TYR QD 1 40 ILE MG 3.290 . 3.290 2.416 1.818 2.979 . 0 0 "[ . 1 . 2]" 1
379 1 20 TYR QE 1 28 VAL QG . . 4.020 2.449 2.006 2.889 . 0 0 "[ . 1 . 2]" 1
380 1 20 TYR QE 1 31 ILE MD 5.500 . 5.500 4.175 3.152 5.345 . 0 0 "[ . 1 . 2]" 1
381 1 20 TYR QE 1 34 LEU QD . . 3.380 2.975 2.310 3.712 0.332 5 0 "[ . 1 . 2]" 1
382 1 20 TYR QE 1 34 LEU HG 4.610 . 4.610 3.379 2.463 4.392 . 0 0 "[ . 1 . 2]" 1
383 1 20 TYR QE 1 40 ILE MD 4.610 . 4.610 4.090 3.691 4.896 0.286 10 0 "[ . 1 . 2]" 1
384 1 20 TYR QE 1 40 ILE MG 3.640 . 3.640 2.996 2.557 3.411 . 0 0 "[ . 1 . 2]" 1
385 1 21 ARG H 1 21 ARG QB 2.720 . 2.720 2.361 2.159 2.611 . 0 0 "[ . 1 . 2]" 1
386 1 21 ARG H 1 21 ARG HG2 4.170 . 4.170 4.235 2.602 4.650 0.480 8 0 "[ . 1 . 2]" 1
387 1 21 ARG H 1 21 ARG QG 3.420 . 3.420 3.754 2.562 4.247 0.827 5 14 "[ ***+*** ***- . ***]" 1
388 1 21 ARG H 1 21 ARG HG3 4.170 . 4.170 4.301 2.781 4.971 0.801 5 3 "[ - + 1 . *]" 1
389 1 21 ARG H 1 22 GLY H 4.430 . 4.430 2.382 1.704 2.885 . 0 0 "[ . 1 . 2]" 1
390 1 21 ARG H 1 23 LEU QD 4.330 . 4.330 3.974 3.622 4.378 0.048 5 0 "[ . 1 . 2]" 1
391 1 21 ARG H 1 38 TYR QB 5.500 . 5.500 5.979 5.014 6.595 1.095 9 9 "[* *** -+1 .* **2]" 1
392 1 21 ARG H 1 38 TYR QD 4.810 . 4.810 4.351 2.858 4.998 0.188 9 0 "[ . 1 . 2]" 1
393 1 21 ARG H 1 38 TYR QE 4.180 . 4.180 2.559 1.714 3.179 . 0 0 "[ . 1 . 2]" 1
394 1 21 ARG H 1 39 GLU H 4.860 . 4.860 5.137 4.429 6.239 1.379 9 4 "[* -. +1* . 2]" 1
395 1 21 ARG H 1 40 ILE HA 4.240 . 4.240 4.641 4.005 5.456 1.216 17 8 "[*-**. 1* * +* 2]" 1
396 1 21 ARG H 1 40 ILE MG 4.350 . 4.350 3.940 3.501 4.518 0.168 3 0 "[ . 1 . 2]" 1
397 1 21 ARG HA 1 21 ARG QD 3.570 . 3.570 3.753 2.070 4.273 0.703 13 5 "[ -. * 1 *+ . * 2]" 1
398 1 21 ARG HA 1 21 ARG QG 3.540 . 3.540 2.402 2.206 2.777 . 0 0 "[ . 1 . 2]" 1
399 1 21 ARG HA 1 22 GLY QA 4.750 . 4.750 4.232 4.182 4.280 . 0 0 "[ . 1 . 2]" 1
400 1 21 ARG QB 1 21 ARG QD 3.150 . 3.150 2.225 2.069 2.619 . 0 0 "[ . 1 . 2]" 1
401 1 21 ARG QB 1 22 GLY H 3.820 . 3.820 2.382 1.821 3.104 . 0 0 "[ . 1 . 2]" 1
402 1 21 ARG QB 1 38 TYR HA 4.240 . 4.240 4.424 3.650 5.622 1.382 9 6 "[* **. +1 .*- 2]" 1
403 1 21 ARG QB 1 38 TYR QD 3.810 . 3.810 3.854 3.323 4.793 0.983 3 4 "[ +*. *1 .- 2]" 1
404 1 21 ARG QB 1 38 TYR QE 4.170 . 4.170 2.944 2.484 3.629 . 0 0 "[ . 1 . 2]" 1
405 1 21 ARG QB 1 39 GLU H 3.220 . 3.220 3.522 2.479 5.312 2.092 17 7 "[* *-. *1 **+ 2]" 1
406 1 21 ARG QB 1 40 ILE MG 4.730 . 4.730 4.552 3.835 5.847 1.117 17 3 "[ - . 1 * + 2]" 1
407 1 21 ARG QD 1 22 GLY H 4.600 . 4.600 4.320 3.611 5.415 0.815 9 1 "[ . +1 . 2]" 1
408 1 21 ARG QG 1 22 GLY H 4.080 . 4.080 3.854 3.107 4.581 0.501 5 1 "[ + 1 . 2]" 1
409 1 21 ARG QG 1 39 GLU H 4.660 . 4.660 4.085 2.638 6.034 1.374 3 2 "[ +-. 1 . 2]" 1
410 1 22 GLY H 1 23 LEU H 3.830 . 3.830 2.759 2.036 3.317 . 0 0 "[ . 1 . 2]" 1
411 1 22 GLY H 1 23 LEU HA 5.190 . 5.190 4.643 4.402 5.267 0.077 1 0 "[ . 1 . 2]" 1
412 1 22 GLY H 1 23 LEU HB2 4.650 . 4.650 4.135 3.655 4.743 0.093 1 0 "[ . 1 . 2]" 1
413 1 22 GLY H 1 23 LEU QD 5.020 . 5.020 3.863 3.520 4.311 . 0 0 "[ . 1 . 2]" 1
414 1 22 GLY H 1 23 LEU HG 3.990 . 3.990 3.201 2.766 3.816 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU H 1 23 LEU HB2 3.610 . 3.610 2.634 2.397 2.781 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU H 1 23 LEU HB3 4.030 . 4.030 3.762 3.618 3.841 . 0 0 "[ . 1 . 2]" 1
417 1 23 LEU H 1 23 LEU QD 4.280 . 4.280 3.601 3.359 3.784 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU H 1 23 LEU HG 3.770 . 3.770 3.247 2.807 3.618 . 0 0 "[ . 1 . 2]" 1
419 1 23 LEU H 1 24 THR H 4.600 . 4.600 4.249 3.884 4.474 . 0 0 "[ . 1 . 2]" 1
420 1 23 LEU H 1 24 THR HA 4.850 . 4.850 4.800 4.572 5.198 0.348 12 0 "[ . 1 . 2]" 1
421 1 23 LEU H 1 28 VAL QG 5.120 . 5.120 5.151 4.392 5.927 0.807 5 2 "[ + 1 - . 2]" 1
422 1 23 LEU HA 1 23 LEU QD 2.930 . 2.930 1.964 1.925 2.015 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU HA 1 23 LEU HG 3.830 . 3.830 3.014 2.901 3.146 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU HA 1 24 THR H 3.000 . 3.000 2.140 2.103 2.209 . 0 0 "[ . 1 . 2]" 1
425 1 23 LEU HA 1 24 THR MG 4.120 . 4.120 3.826 3.705 3.963 . 0 0 "[ . 1 . 2]" 1
426 1 23 LEU HA 1 27 GLN QB 5.110 . 5.110 4.626 3.449 5.173 0.063 10 0 "[ . 1 . 2]" 1
427 1 23 LEU HA 1 27 GLN HE21 4.930 . 4.930 3.453 2.861 4.033 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU HA 1 27 GLN QG 5.500 . 5.500 5.467 3.029 6.351 0.851 20 3 "[ . - . *+]" 1
429 1 23 LEU HA 1 28 VAL QG 4.750 . 4.750 4.588 4.103 5.209 0.459 5 0 "[ . 1 . 2]" 1
430 1 23 LEU HB2 1 24 THR H 4.300 . 4.300 4.256 4.056 4.452 0.152 4 0 "[ . 1 . 2]" 1
431 1 23 LEU HB2 1 27 GLN QB 5.240 . 5.240 4.841 4.136 5.473 0.233 11 0 "[ . 1 . 2]" 1
432 1 23 LEU HB2 1 27 GLN HE21 4.810 . 4.810 4.648 4.192 5.326 0.516 3 1 "[ + . 1 . 2]" 1
433 1 23 LEU HB2 1 28 VAL QG 3.570 . 3.570 3.159 2.430 3.808 0.238 5 0 "[ . 1 . 2]" 1
434 1 23 LEU HB3 1 23 LEU QD 3.270 . 3.270 2.117 2.110 2.127 . 0 0 "[ . 1 . 2]" 1
435 1 23 LEU HB3 1 24 THR H 4.040 . 4.040 3.311 2.911 3.797 . 0 0 "[ . 1 . 2]" 1
436 1 23 LEU HB3 1 27 GLN QB 4.970 . 4.970 3.359 2.651 3.906 . 0 0 "[ . 1 . 2]" 1
437 1 23 LEU HB3 1 28 VAL QG 4.040 . 4.040 2.636 2.200 3.283 . 0 0 "[ . 1 . 2]" 1
438 1 23 LEU QD 1 24 THR H . . 3.730 3.363 3.055 3.652 . 0 0 "[ . 1 . 2]" 1
439 1 23 LEU QD 1 27 GLN HA 4.500 . 4.500 5.194 4.523 5.486 0.986 1 18 "[+* **-****** *******]" 1
440 1 23 LEU QD 1 27 GLN QB . . 3.530 3.019 2.465 3.236 . 0 0 "[ . 1 . 2]" 1
441 1 23 LEU QD 1 27 GLN HE21 3.880 . 3.880 2.790 1.892 3.060 . 0 0 "[ . 1 . 2]" 1
442 1 23 LEU QD 1 27 GLN HE22 3.960 . 3.960 2.489 2.166 3.107 . 0 0 "[ . 1 . 2]" 1
443 1 23 LEU QD 1 28 VAL H 3.890 . 3.890 3.703 3.317 3.981 0.091 7 0 "[ . 1 . 2]" 1
444 1 23 LEU QD 1 28 VAL HA . . 3.990 3.889 3.349 4.273 0.283 5 0 "[ . 1 . 2]" 1
445 1 23 LEU QD 1 28 VAL QG . . 2.990 1.987 1.767 2.251 . 0 0 "[ . 1 . 2]" 1
446 1 23 LEU QD 1 29 LYS H 5.500 . 5.500 5.733 5.416 5.983 0.483 7 0 "[ . 1 . 2]" 1
447 1 23 LEU QD 1 38 TYR QE 4.220 . 4.220 3.115 2.782 3.407 . 0 0 "[ . 1 . 2]" 1
448 1 23 LEU HG 1 24 THR H 4.780 . 4.780 5.022 4.831 5.184 0.404 16 0 "[ . 1 . 2]" 1
449 1 23 LEU HG 1 27 GLN HE21 5.250 . 5.250 5.246 4.685 5.524 0.274 1 0 "[ . 1 . 2]" 1
450 1 23 LEU HG 1 27 GLN HE22 5.360 . 5.360 5.021 4.548 6.050 0.690 13 2 "[ - . 1 + . 2]" 1
451 1 23 LEU HG 1 28 VAL QG 4.830 . 4.830 4.262 3.915 4.560 . 0 0 "[ . 1 . 2]" 1
452 1 24 THR H 1 24 THR HB 4.170 . 4.170 2.697 2.578 2.852 . 0 0 "[ . 1 . 2]" 1
453 1 24 THR H 1 24 THR MG 3.140 . 3.140 2.066 1.952 2.177 . 0 0 "[ . 1 . 2]" 1
454 1 24 THR H 1 25 ARG H 4.470 . 4.470 4.492 4.433 4.552 0.082 19 0 "[ . 1 . 2]" 1
455 1 24 THR H 1 27 GLN H 4.600 . 4.600 5.628 4.450 6.597 1.997 15 18 "[** ********- *+*****]" 1
456 1 24 THR H 1 27 GLN HA 5.310 . 5.310 7.022 5.330 7.288 1.978 19 19 "[** *********-*****+*]" 1
457 1 24 THR H 1 27 GLN QB . . 3.770 4.076 2.808 4.322 0.552 15 2 "[ - 1 + 2]" 1
458 1 24 THR H 1 27 GLN HE21 4.900 . 4.900 2.819 2.552 3.331 . 0 0 "[ . 1 . 2]" 1
459 1 24 THR H 1 27 GLN HE22 5.060 . 5.060 2.734 2.011 4.864 . 0 0 "[ . 1 . 2]" 1
460 1 24 THR H 1 27 GLN QG . . 3.340 4.517 1.846 5.100 1.760 20 18 "[** ********* *-****+]" 1
461 1 24 THR H 1 28 VAL QG 4.710 . 4.710 4.781 3.949 5.425 0.715 5 4 "[ + 1 - ** 2]" 1
462 1 24 THR HA 1 24 THR MG 3.290 . 3.290 3.216 3.209 3.222 . 0 0 "[ . 1 . 2]" 1
463 1 24 THR HA 1 25 ARG H 2.670 . 2.670 2.635 2.561 2.689 0.019 18 0 "[ . 1 . 2]" 1
464 1 24 THR HA 1 25 ARG HA 4.830 . 4.830 4.305 4.256 4.365 . 0 0 "[ . 1 . 2]" 1
465 1 24 THR HA 1 27 GLN HE21 5.500 . 5.500 4.852 4.404 6.125 0.625 13 2 "[ - . 1 + . 2]" 1
466 1 24 THR HA 1 28 VAL QG 4.900 . 4.900 5.187 4.377 6.070 1.170 5 6 "[ + * 1 * *-* 2]" 1
467 1 24 THR HB 1 25 ARG H 3.680 . 3.680 3.650 3.549 3.750 0.070 19 0 "[ . 1 . 2]" 1
468 1 24 THR HB 1 27 GLN HE21 5.500 . 5.500 5.024 4.742 5.667 0.167 13 0 "[ . 1 . 2]" 1
469 1 24 THR MG 1 25 ARG H 3.380 . 3.380 2.865 2.676 3.154 . 0 0 "[ . 1 . 2]" 1
470 1 24 THR MG 1 26 ASP H 4.990 . 4.990 5.052 4.755 5.231 0.241 15 0 "[ . 1 . 2]" 1
471 1 24 THR MG 1 27 GLN H 4.300 . 4.300 3.928 3.317 4.928 0.628 15 3 "[ * 1 + - 2]" 1
472 1 24 THR MG 1 27 GLN HE21 4.160 . 4.160 2.977 2.769 3.566 . 0 0 "[ . 1 . 2]" 1
473 1 24 THR MG 1 27 GLN HE22 4.290 . 4.290 2.940 2.438 4.591 0.301 3 0 "[ . 1 . 2]" 1
474 1 24 THR MG 1 27 GLN QG . . 4.220 3.159 2.092 3.804 . 0 0 "[ . 1 . 2]" 1
475 1 25 ARG H 1 25 ARG QB 2.740 . 2.740 2.445 2.218 2.638 . 0 0 "[ . 1 . 2]" 1
476 1 25 ARG H 1 25 ARG HD2 5.040 . 5.040 4.513 3.905 4.922 . 0 0 "[ . 1 . 2]" 1
477 1 25 ARG H 1 25 ARG QD 4.250 . 4.250 3.756 2.161 4.271 0.021 1 0 "[ . 1 . 2]" 1
478 1 25 ARG H 1 25 ARG HD3 5.040 . 5.040 4.133 2.172 4.885 . 0 0 "[ . 1 . 2]" 1
479 1 25 ARG H 1 25 ARG QG 3.370 . 3.370 2.281 1.849 3.550 0.180 14 0 "[ . 1 . 2]" 1
480 1 25 ARG H 1 27 GLN H 4.750 . 4.750 4.807 4.552 5.432 0.682 5 2 "[ + 1 - 2]" 1
481 1 25 ARG HA 1 25 ARG QD 4.580 . 4.580 3.820 2.026 4.503 . 0 0 "[ . 1 . 2]" 1
482 1 25 ARG HA 1 25 ARG QG 3.710 . 3.710 2.883 2.267 3.355 . 0 0 "[ . 1 . 2]" 1
483 1 25 ARG HA 1 27 GLN H 4.330 . 4.330 3.232 2.605 3.739 . 0 0 "[ . 1 . 2]" 1
484 1 25 ARG HA 1 28 VAL QG . . 4.550 3.689 2.688 4.870 0.320 3 0 "[ . 1 . 2]" 1
485 1 25 ARG QB 1 26 ASP H 3.950 . 3.950 1.940 1.742 3.204 . 0 0 "[ . 1 . 2]" 1
486 1 25 ARG QD 1 26 ASP H 5.010 . 5.010 3.878 2.745 5.682 0.672 3 1 "[ + . 1 . 2]" 1
487 1 25 ARG QG 1 26 ASP H 4.370 . 4.370 3.374 2.622 4.069 . 0 0 "[ . 1 . 2]" 1
488 1 26 ASP H 1 26 ASP HB2 3.220 . 3.220 3.243 3.019 3.454 0.234 3 0 "[ . 1 . 2]" 1
489 1 26 ASP H 1 26 ASP HB3 3.960 . 3.960 3.616 3.538 3.750 . 0 0 "[ . 1 . 2]" 1
490 1 26 ASP H 1 27 GLN H 2.990 . 2.990 3.057 2.338 3.439 0.449 17 0 "[ . 1 . 2]" 1
491 1 26 ASP H 1 27 GLN HA 5.220 . 5.220 5.389 4.933 5.639 0.419 17 0 "[ . 1 . 2]" 1
492 1 26 ASP H 1 28 VAL QG 5.440 . 5.440 4.548 4.006 5.024 . 0 0 "[ . 1 . 2]" 1
493 1 26 ASP HA 1 29 LYS H 5.500 . 5.500 6.018 5.317 6.582 1.082 5 11 "[** *+* *-* * * *]" 1
494 1 26 ASP HB2 1 27 GLN H 4.480 . 4.480 4.139 3.856 4.591 0.111 5 0 "[ . 1 . 2]" 1
495 1 26 ASP HB3 1 27 GLN H 3.840 . 3.840 3.118 2.568 4.163 0.323 5 0 "[ . 1 . 2]" 1
496 1 27 GLN H 1 27 GLN QB . . 3.230 2.439 2.318 2.632 . 0 0 "[ . 1 . 2]" 1
497 1 27 GLN H 1 27 GLN HE21 5.240 . 5.240 3.937 3.329 5.568 0.328 3 0 "[ . 1 . 2]" 1
498 1 27 GLN H 1 27 GLN QG . . 3.310 2.588 2.028 3.339 0.029 5 0 "[ . 1 . 2]" 1
499 1 27 GLN H 1 28 VAL QG . . 3.770 3.574 3.163 3.962 0.192 16 0 "[ . 1 . 2]" 1
500 1 27 GLN H 1 29 LYS H 4.710 . 4.710 4.978 4.287 5.412 0.702 4 2 "[- +. 1 . 2]" 1
501 1 27 GLN HA 1 27 GLN HE21 4.830 . 4.830 4.544 4.502 4.622 . 0 0 "[ . 1 . 2]" 1
502 1 27 GLN HA 1 27 GLN HE22 5.500 . 5.500 5.688 4.688 5.836 0.336 20 0 "[ . 1 . 2]" 1
503 1 27 GLN HA 1 27 GLN QG 3.620 . 3.620 2.457 2.305 2.800 . 0 0 "[ . 1 . 2]" 1
504 1 27 GLN HA 1 30 ALA H 5.290 . 5.290 4.714 4.143 5.565 0.275 5 0 "[ . 1 . 2]" 1
505 1 27 GLN QB 1 27 GLN HE21 3.530 . 3.530 1.870 1.719 2.869 . 0 0 "[ . 1 . 2]" 1
506 1 27 GLN QB 1 27 GLN HE22 3.930 . 3.930 3.242 3.181 3.645 . 0 0 "[ . 1 . 2]" 1
507 1 27 GLN QB 1 28 VAL H 3.310 . 3.310 1.813 1.623 2.137 . 0 0 "[ . 1 . 2]" 1
508 1 27 GLN QB 1 28 VAL QG 4.570 . 4.570 2.448 2.273 2.573 . 0 0 "[ . 1 . 2]" 1
509 1 27 GLN QB 1 31 ILE MD 4.810 . 4.810 3.285 2.071 4.653 . 0 0 "[ . 1 . 2]" 1
510 1 27 GLN QG 1 28 VAL H 4.760 . 4.760 3.692 3.410 4.167 . 0 0 "[ . 1 . 2]" 1
511 1 28 VAL H 1 28 VAL HB 3.990 . 3.990 3.973 3.955 4.012 0.022 5 0 "[ . 1 . 2]" 1
512 1 28 VAL H 1 28 VAL QG . . 2.850 2.522 2.455 2.593 . 0 0 "[ . 1 . 2]" 1
513 1 28 VAL H 1 29 LYS H 3.240 . 3.240 2.809 2.682 2.894 . 0 0 "[ . 1 . 2]" 1
514 1 28 VAL H 1 30 ALA H 4.390 . 4.390 4.021 3.512 5.050 0.660 1 1 "[+ . 1 . 2]" 1
515 1 28 VAL H 1 31 ILE MD 4.700 . 4.700 2.580 1.982 3.697 . 0 0 "[ . 1 . 2]" 1
516 1 28 VAL HA 1 28 VAL QG . . 3.010 2.375 2.288 2.440 . 0 0 "[ . 1 . 2]" 1
517 1 28 VAL HA 1 30 ALA H 4.010 . 4.010 3.647 3.169 5.218 1.208 1 1 "[+ . 1 . 2]" 1
518 1 28 VAL HA 1 31 ILE H 5.500 . 5.500 4.449 2.760 5.220 . 0 0 "[ . 1 . 2]" 1
519 1 28 VAL HA 1 31 ILE HB 5.050 . 5.050 3.906 2.479 4.830 . 0 0 "[ . 1 . 2]" 1
520 1 28 VAL HA 1 31 ILE MD 3.530 . 3.530 2.085 1.908 2.276 . 0 0 "[ . 1 . 2]" 1
521 1 28 VAL HA 1 31 ILE HG12 5.500 . 5.500 3.612 2.721 4.543 . 0 0 "[ . 1 . 2]" 1
522 1 28 VAL HA 1 31 ILE HG13 3.750 . 3.750 2.379 1.965 3.134 . 0 0 "[ . 1 . 2]" 1
523 1 28 VAL QG 1 29 LYS H . . 3.870 3.340 3.203 3.616 . 0 0 "[ . 1 . 2]" 1
524 1 28 VAL QG 1 29 LYS HA . . 4.270 3.599 3.468 3.881 . 0 0 "[ . 1 . 2]" 1
525 1 28 VAL QG 1 30 ALA H 4.530 . 4.530 4.577 4.336 5.349 0.819 1 1 "[+ . 1 . 2]" 1
526 1 29 LYS H 1 29 LYS HB2 3.720 . 3.720 3.462 2.489 3.752 0.032 9 0 "[ . 1 . 2]" 1
527 1 29 LYS H 1 29 LYS QB 3.060 . 3.060 2.680 2.451 2.872 . 0 0 "[ . 1 . 2]" 1
528 1 29 LYS H 1 29 LYS HB3 3.720 . 3.720 2.936 2.642 3.684 . 0 0 "[ . 1 . 2]" 1
529 1 29 LYS H 1 29 LYS HG2 4.290 . 4.290 2.199 1.651 3.950 . 0 0 "[ . 1 . 2]" 1
530 1 29 LYS H 1 29 LYS QG 3.500 . 3.500 2.003 1.645 2.700 . 0 0 "[ . 1 . 2]" 1
531 1 29 LYS H 1 29 LYS HG3 4.290 . 4.290 3.061 2.226 3.484 . 0 0 "[ . 1 . 2]" 1
532 1 29 LYS H 1 31 ILE MD 5.500 . 5.500 4.299 3.735 4.774 . 0 0 "[ . 1 . 2]" 1
533 1 29 LYS HA 1 29 LYS QD 4.470 . 4.470 4.257 4.008 4.505 0.035 3 0 "[ . 1 . 2]" 1
534 1 29 LYS HA 1 29 LYS HG2 3.950 . 3.950 3.535 2.589 3.858 . 0 0 "[ . 1 . 2]" 1
535 1 29 LYS HA 1 29 LYS HG3 3.950 . 3.950 3.715 2.967 3.942 . 0 0 "[ . 1 . 2]" 1
536 1 29 LYS HA 1 30 ALA H 3.550 . 3.550 3.442 3.364 3.557 0.007 1 0 "[ . 1 . 2]" 1
537 1 29 LYS HB2 1 30 ALA H 4.130 . 4.130 3.736 1.935 4.131 0.001 9 0 "[ . 1 . 2]" 1
538 1 29 LYS HB3 1 30 ALA H 4.130 . 4.130 4.029 2.911 4.274 0.144 15 0 "[ . 1 . 2]" 1
539 1 29 LYS QG 1 30 ALA H 3.870 . 3.870 2.742 2.373 4.078 0.208 20 0 "[ . 1 . 2]" 1
540 1 29 LYS HG2 1 30 ALA H 4.570 . 4.570 3.137 2.594 5.040 0.470 20 0 "[ . 1 . 2]" 1
541 1 29 LYS HG3 1 30 ALA H 4.570 . 4.570 3.084 2.535 4.308 . 0 0 "[ . 1 . 2]" 1
542 1 30 ALA H 1 30 ALA MB 2.940 . 2.940 2.732 2.359 2.837 . 0 0 "[ . 1 . 2]" 1
543 1 30 ALA H 1 31 ILE H 4.020 . 4.020 3.394 1.987 3.942 . 0 0 "[ . 1 . 2]" 1
544 1 30 ALA H 1 31 ILE HA 4.900 . 4.900 4.613 4.133 5.186 0.286 1 0 "[ . 1 . 2]" 1
545 1 30 ALA H 1 31 ILE HG13 4.220 . 4.220 3.077 2.868 3.814 . 0 0 "[ . 1 . 2]" 1
546 1 30 ALA MB 1 31 ILE H 3.440 . 3.440 3.527 3.243 3.648 0.208 11 0 "[ . 1 . 2]" 1
547 1 31 ILE H 1 31 ILE HB 3.400 . 3.400 2.702 2.418 2.888 . 0 0 "[ . 1 . 2]" 1
548 1 31 ILE H 1 31 ILE MD 4.360 . 4.360 4.093 3.686 4.305 . 0 0 "[ . 1 . 2]" 1
549 1 31 ILE H 1 31 ILE HG12 4.520 . 4.520 3.916 3.430 4.119 . 0 0 "[ . 1 . 2]" 1
550 1 31 ILE H 1 31 ILE HG13 3.610 . 3.610 2.841 2.235 3.142 . 0 0 "[ . 1 . 2]" 1
551 1 31 ILE H 1 31 ILE MG 4.000 . 4.000 3.872 3.754 3.955 . 0 0 "[ . 1 . 2]" 1
552 1 31 ILE H 1 32 ASN H 4.420 . 4.420 4.371 4.052 4.589 0.169 11 0 "[ . 1 . 2]" 1
553 1 31 ILE HA 1 31 ILE MD 4.260 . 4.260 3.842 3.767 3.898 . 0 0 "[ . 1 . 2]" 1
554 1 31 ILE HA 1 31 ILE HG12 4.000 . 4.000 2.552 2.400 2.663 . 0 0 "[ . 1 . 2]" 1
555 1 31 ILE HA 1 31 ILE HG13 4.250 . 4.250 3.090 2.995 3.147 . 0 0 "[ . 1 . 2]" 1
556 1 31 ILE HA 1 31 ILE MG 3.400 . 3.400 2.399 2.336 2.498 . 0 0 "[ . 1 . 2]" 1
557 1 31 ILE HA 1 32 ASN H 3.200 . 3.200 2.235 2.147 2.396 . 0 0 "[ . 1 . 2]" 1
558 1 31 ILE HA 1 32 ASN QD 5.340 . 5.340 4.850 3.479 6.043 0.703 7 2 "[ . + 1 - 2]" 1
559 1 31 ILE HB 1 31 ILE MD 3.370 . 3.370 2.444 2.411 2.489 . 0 0 "[ . 1 . 2]" 1
560 1 31 ILE HB 1 32 ASN H 4.210 . 4.210 4.015 3.679 4.388 0.178 9 0 "[ . 1 . 2]" 1
561 1 31 ILE MD 1 31 ILE MG 3.470 . 3.470 1.913 1.873 1.950 . 0 0 "[ . 1 . 2]" 1
562 1 31 ILE MD 1 32 ASN H 4.970 . 4.970 4.949 4.652 5.373 0.403 9 0 "[ . 1 . 2]" 1
563 1 31 ILE MD 1 34 LEU HA 4.880 . 4.880 4.841 4.393 5.258 0.378 20 0 "[ . 1 . 2]" 1
564 1 31 ILE HG12 1 31 ILE MG 3.230 . 3.230 2.402 2.364 2.442 . 0 0 "[ . 1 . 2]" 1
565 1 31 ILE HG12 1 32 ASN H 4.160 . 4.160 4.372 4.113 4.617 0.457 15 0 "[ . 1 . 2]" 1
566 1 31 ILE HG13 1 31 ILE MG 3.380 . 3.380 3.203 3.193 3.211 . 0 0 "[ . 1 . 2]" 1
567 1 31 ILE HG13 1 32 ASN H 5.050 . 5.050 5.062 4.992 5.147 0.097 9 0 "[ . 1 . 2]" 1
568 1 31 ILE MG 1 32 ASN H 3.800 . 3.800 2.441 1.968 3.151 . 0 0 "[ . 1 . 2]" 1
569 1 31 ILE MG 1 33 PHE HA 4.530 . 4.530 3.828 3.525 4.239 . 0 0 "[ . 1 . 2]" 1
570 1 31 ILE MG 1 33 PHE QB 5.020 . 5.020 4.336 4.031 4.639 . 0 0 "[ . 1 . 2]" 1
571 1 31 ILE MG 1 33 PHE QD 5.500 . 5.500 5.131 4.808 5.307 . 0 0 "[ . 1 . 2]" 1
572 1 31 ILE MG 1 34 LEU HA 4.060 . 4.060 3.524 3.067 3.819 . 0 0 "[ . 1 . 2]" 1
573 1 31 ILE MG 1 35 PRO QD 4.860 . 4.860 4.179 3.631 4.535 . 0 0 "[ . 1 . 2]" 1
574 1 32 ASN H 1 32 ASN HB2 3.840 . 3.840 2.515 2.343 3.682 . 0 0 "[ . 1 . 2]" 1
575 1 32 ASN H 1 32 ASN QB 3.330 . 3.330 2.415 2.304 2.595 . 0 0 "[ . 1 . 2]" 1
576 1 32 ASN H 1 32 ASN HB3 3.840 . 3.840 3.531 2.614 3.729 . 0 0 "[ . 1 . 2]" 1
577 1 32 ASN H 1 32 ASN QD 4.010 . 4.010 3.483 1.590 4.465 0.455 7 0 "[ . 1 . 2]" 1
578 1 32 ASN QB 1 32 ASN QD 2.940 . 2.940 2.169 2.074 2.646 . 0 0 "[ . 1 . 2]" 1
579 1 33 PHE HA 1 33 PHE QD 3.890 . 3.890 2.607 2.194 2.743 . 0 0 "[ . 1 . 2]" 1
580 1 33 PHE HA 1 34 LEU H 2.880 . 2.880 2.168 2.122 2.246 . 0 0 "[ . 1 . 2]" 1
581 1 33 PHE HA 1 34 LEU QD 4.670 . 4.670 3.186 2.947 3.507 . 0 0 "[ . 1 . 2]" 1
582 1 33 PHE QB 1 34 LEU H 3.760 . 3.760 3.127 2.744 3.596 . 0 0 "[ . 1 . 2]" 1
583 1 33 PHE QB 1 34 LEU QD 5.070 . 5.070 4.171 3.998 4.362 . 0 0 "[ . 1 . 2]" 1
584 1 33 PHE QD 1 34 LEU H 4.460 . 4.460 3.945 3.606 4.395 . 0 0 "[ . 1 . 2]" 1
585 1 33 PHE QD 1 34 LEU QD 5.440 . 5.440 4.803 4.447 5.169 . 0 0 "[ . 1 . 2]" 1
586 1 34 LEU H 1 34 LEU QB 3.230 . 3.230 2.322 2.264 2.382 . 0 0 "[ . 1 . 2]" 1
587 1 34 LEU H 1 34 LEU QD . . 3.150 2.217 2.064 2.432 . 0 0 "[ . 1 . 2]" 1
588 1 34 LEU H 1 34 LEU HG 4.050 . 4.050 4.134 4.012 4.304 0.254 8 0 "[ . 1 . 2]" 1
589 1 34 LEU H 1 35 PRO QD . . 4.980 4.333 4.199 4.420 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU H 1 64 TRP HH2 5.500 . 5.500 5.704 4.888 6.063 0.563 12 2 "[ - . 1 + . 2]" 1
591 1 34 LEU H 1 64 TRP HZ2 4.530 . 4.530 4.809 4.194 5.135 0.605 8 4 "[* . *+ 1 . - 2]" 1
592 1 34 LEU HA 1 34 LEU QD . . 3.170 1.892 1.854 1.926 . 0 0 "[ . 1 . 2]" 1
593 1 34 LEU HA 1 34 LEU HG 4.160 . 4.160 3.721 3.703 3.743 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU HA 1 35 PRO QB 4.970 . 4.970 4.651 4.535 4.717 . 0 0 "[ . 1 . 2]" 1
595 1 34 LEU HA 1 35 PRO QD 3.290 . 3.290 1.957 1.802 2.123 . 0 0 "[ . 1 . 2]" 1
596 1 34 LEU HA 1 35 PRO QG 4.700 . 4.700 3.856 3.703 4.021 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU QB 1 35 PRO QD . . 3.880 2.707 2.268 3.101 . 0 0 "[ . 1 . 2]" 1
598 1 34 LEU QB 1 38 TYR H 4.550 . 4.550 4.726 4.229 5.526 0.976 8 3 "[ . + 1- * . 2]" 1
599 1 34 LEU QB 1 38 TYR HA 5.470 . 5.470 5.458 5.094 5.866 0.396 13 0 "[ . 1 . 2]" 1
600 1 34 LEU QB 1 38 TYR QB . . 4.500 2.705 2.373 3.033 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU QB 1 38 TYR QD . . 4.070 3.494 2.746 4.235 0.165 15 0 "[ . 1 . 2]" 1
602 1 34 LEU QB 1 64 TRP HH2 4.790 . 4.790 2.935 2.321 3.328 . 0 0 "[ . 1 . 2]" 1
603 1 34 LEU QB 1 64 TRP HZ2 3.510 . 3.510 3.032 2.438 3.685 0.175 1 0 "[ . 1 . 2]" 1
604 1 34 LEU QD 1 35 PRO QD . . 3.590 2.441 2.110 2.725 . 0 0 "[ . 1 . 2]" 1
605 1 34 LEU QD 1 35 PRO QG 4.450 . 4.450 3.867 3.559 4.174 . 0 0 "[ . 1 . 2]" 1
606 1 34 LEU QD 1 38 TYR H 5.440 . 5.440 5.733 5.035 6.372 0.932 8 8 "[* ** +*1* * . -2]" 1
607 1 34 LEU QD 1 38 TYR QB . . 4.330 3.584 3.014 3.943 . 0 0 "[ . 1 . 2]" 1
608 1 34 LEU QD 1 38 TYR QD 3.880 . 3.880 3.431 3.112 3.792 . 0 0 "[ . 1 . 2]" 1
609 1 34 LEU QD 1 64 TRP HH2 4.090 . 4.090 3.544 3.231 3.838 . 0 0 "[ . 1 . 2]" 1
610 1 34 LEU QD 1 64 TRP HZ2 3.480 . 3.480 2.693 2.372 3.070 . 0 0 "[ . 1 . 2]" 1
611 1 34 LEU HG 1 35 PRO QD 4.550 . 4.550 4.314 3.817 4.735 0.185 20 0 "[ . 1 . 2]" 1
612 1 34 LEU HG 1 38 TYR QB 5.270 . 5.270 4.149 3.640 4.830 . 0 0 "[ . 1 . 2]" 1
613 1 34 LEU HG 1 38 TYR QD 4.690 . 4.690 3.823 3.272 4.422 . 0 0 "[ . 1 . 2]" 1
614 1 34 LEU HG 1 38 TYR QE 5.020 . 5.020 4.535 3.617 5.674 0.654 15 1 "[ . 1 + 2]" 1
615 1 34 LEU HG 1 40 ILE MD 5.500 . 5.500 4.656 4.055 5.458 . 0 0 "[ . 1 . 2]" 1
616 1 34 LEU HG 1 40 ILE MG 4.140 . 4.140 3.764 2.897 4.342 0.202 12 0 "[ . 1 . 2]" 1
617 1 34 LEU HG 1 64 TRP HH2 4.390 . 4.390 2.771 2.374 3.161 . 0 0 "[ . 1 . 2]" 1
618 1 34 LEU HG 1 64 TRP HZ2 4.560 . 4.560 2.838 2.423 3.153 . 0 0 "[ . 1 . 2]" 1
619 1 35 PRO HA 1 36 VAL H 2.580 . 2.580 2.229 2.139 2.341 . 0 0 "[ . 1 . 2]" 1
620 1 35 PRO HA 1 36 VAL HA 5.000 . 5.000 4.333 4.282 4.391 . 0 0 "[ . 1 . 2]" 1
621 1 35 PRO HA 1 36 VAL HB 4.860 . 4.860 4.601 4.389 4.746 . 0 0 "[ . 1 . 2]" 1
622 1 35 PRO HA 1 36 VAL QG 3.960 . 3.960 3.758 3.584 4.085 0.125 8 0 "[ . 1 . 2]" 1
623 1 35 PRO HA 1 37 ASP H 5.390 . 5.390 5.592 3.903 6.374 0.984 11 10 "[* -*** *1+ * . **2]" 1
624 1 35 PRO HA 1 38 TYR H 5.200 . 5.200 5.443 4.986 6.933 1.733 1 2 "[+ . - 1 . 2]" 1
625 1 35 PRO QB 1 36 VAL H . . 3.430 2.943 2.672 3.176 . 0 0 "[ . 1 . 2]" 1
626 1 35 PRO QB 1 36 VAL QG 4.090 . 4.090 3.623 3.359 3.884 . 0 0 "[ . 1 . 2]" 1
627 1 35 PRO QB 1 38 TYR H 5.500 . 5.500 4.195 3.533 5.781 0.281 1 0 "[ . 1 . 2]" 1
628 1 35 PRO QB 1 38 TYR QB 5.500 . 5.500 3.663 2.751 5.229 . 0 0 "[ . 1 . 2]" 1
629 1 35 PRO QB 1 38 TYR QD 4.980 . 4.980 4.296 3.673 5.126 0.146 20 0 "[ . 1 . 2]" 1
630 1 35 PRO QD 1 38 TYR H 5.500 . 5.500 5.051 4.097 6.176 0.676 1 1 "[+ . 1 . 2]" 1
631 1 35 PRO QD 1 38 TYR QB . . 4.590 3.153 2.623 4.274 . 0 0 "[ . 1 . 2]" 1
632 1 35 PRO QD 1 38 TYR QD . . 3.510 3.532 2.590 4.131 0.621 9 1 "[ . +1 . 2]" 1
633 1 35 PRO QD 1 38 TYR QE . . 4.700 4.464 2.365 5.109 0.409 16 0 "[ . 1 . 2]" 1
634 1 35 PRO QG 1 38 TYR H 3.670 . 3.670 4.136 3.123 5.636 1.966 3 11 "[* +**- **1* * . **2]" 1
635 1 35 PRO QG 1 38 TYR HA 4.610 . 4.610 4.578 3.959 5.786 1.176 13 3 "[ * . 1 + . - 2]" 1
636 1 35 PRO QG 1 38 TYR QB . . 4.110 2.625 1.934 4.337 0.227 17 0 "[ . 1 . 2]" 1
637 1 35 PRO QG 1 38 TYR QD 3.620 . 3.620 2.757 1.998 4.131 0.511 13 1 "[ . 1 + . 2]" 1
638 1 35 PRO QG 1 38 TYR QE 4.390 . 4.390 4.218 2.513 5.160 0.770 13 3 "[ . 1 + .* -]" 1
639 1 36 VAL H 1 36 VAL HB 2.830 . 2.830 2.612 2.454 2.761 . 0 0 "[ . 1 . 2]" 1
640 1 36 VAL H 1 36 VAL QG . . 2.630 1.982 1.835 2.203 . 0 0 "[ . 1 . 2]" 1
641 1 36 VAL H 1 37 ASP H 4.190 . 4.190 4.269 2.683 4.648 0.458 11 0 "[ . 1 . 2]" 1
642 1 36 VAL H 1 38 TYR H 5.160 . 5.160 4.882 4.498 6.216 1.056 1 2 "[+ . - 1 . 2]" 1
643 1 36 VAL H 1 60 ALA HA 5.290 . 5.290 5.479 4.629 6.592 1.302 8 5 "[ * -* +*1 . 2]" 1
644 1 36 VAL H 1 60 ALA MB 5.480 . 5.480 6.151 5.190 6.926 1.446 9 15 "[********+1****. *-2]" 1
645 1 36 VAL HA 1 36 VAL QG . . 3.120 2.337 2.250 2.398 . 0 0 "[ . 1 . 2]" 1
646 1 36 VAL HA 1 37 ASP H 2.600 . 2.600 2.261 2.121 3.265 0.665 8 1 "[ . + 1 . 2]" 1
647 1 36 VAL HA 1 37 ASP HA 4.330 . 4.330 4.377 4.277 4.540 0.210 11 0 "[ . 1 . 2]" 1
648 1 36 VAL HA 1 38 TYR H 4.250 . 4.250 3.577 3.127 4.784 0.534 8 1 "[ . + 1 . 2]" 1
649 1 36 VAL HA 1 58 CYS HA 4.520 . 4.520 4.732 4.331 5.407 0.887 1 4 "[+ - .* 1 . * 2]" 1
650 1 36 VAL HA 1 58 CYS QB 3.990 . 3.990 2.556 1.970 3.317 . 0 0 "[ . 1 . 2]" 1
651 1 36 VAL HA 1 60 ALA H 5.230 . 5.230 5.606 5.064 6.158 0.928 9 7 "[ * *. -+1 ***. 2]" 1
652 1 36 VAL HA 1 60 ALA HA 4.950 . 4.950 4.874 4.121 5.424 0.474 12 0 "[ . 1 . 2]" 1
653 1 36 VAL HA 1 60 ALA MB 5.210 . 5.210 5.620 5.130 6.000 0.790 13 9 "[ *- **1**+*.* 2]" 1
654 1 36 VAL HB 1 37 ASP H 4.800 . 4.800 4.223 3.947 4.502 . 0 0 "[ . 1 . 2]" 1
655 1 36 VAL HB 1 60 ALA H 3.970 . 3.970 4.731 3.518 5.778 1.808 9 14 "[********+1- **. **2]" 1
656 1 36 VAL HB 1 60 ALA HA 4.340 . 4.340 3.175 2.467 4.273 . 0 0 "[ . 1 . 2]" 1
657 1 36 VAL HB 1 60 ALA MB 4.170 . 4.170 4.108 3.252 4.811 0.641 9 2 "[ . -+1 . 2]" 1
658 1 36 VAL HB 1 61 ASN H 4.220 . 4.220 5.455 3.810 6.846 2.626 8 16 "[*******+*1*** .*-**2]" 1
659 1 36 VAL QG 1 37 ASP H . . 3.630 2.768 1.974 3.411 . 0 0 "[ . 1 . 2]" 1
660 1 36 VAL QG 1 37 ASP HA 3.850 . 3.850 3.526 3.194 3.738 . 0 0 "[ . 1 . 2]" 1
661 1 36 VAL QG 1 58 CYS QB 4.730 . 4.730 3.806 3.361 4.201 . 0 0 "[ . 1 . 2]" 1
662 1 36 VAL QG 1 59 LEU HA 3.200 . 3.200 2.413 1.826 3.233 0.033 1 0 "[ . 1 . 2]" 1
663 1 36 VAL QG 1 60 ALA H 2.950 . 2.950 3.097 2.655 3.501 0.551 9 1 "[ . +1 . 2]" 1
664 1 36 VAL QG 1 60 ALA HA . . 3.280 2.856 2.422 3.632 0.352 17 0 "[ . 1 . 2]" 1
665 1 36 VAL QG 1 60 ALA MB . . 3.160 2.815 2.348 3.341 0.181 11 0 "[ . 1 . 2]" 1
666 1 37 ASP H 1 37 ASP HA 2.870 . 2.870 2.511 2.246 2.926 0.056 8 0 "[ . 1 . 2]" 1
667 1 37 ASP H 1 37 ASP HB2 3.970 . 3.970 3.460 3.160 3.777 . 0 0 "[ . 1 . 2]" 1
668 1 37 ASP H 1 37 ASP HB3 3.970 . 3.970 3.512 2.754 4.180 0.210 19 0 "[ . 1 . 2]" 1
669 1 37 ASP H 1 38 TYR H 3.210 . 3.210 2.354 1.665 3.700 0.490 8 0 "[ . 1 . 2]" 1
670 1 37 ASP H 1 38 TYR HA 5.110 . 5.110 4.852 4.297 5.387 0.277 1 0 "[ . 1 . 2]" 1
671 1 37 ASP H 1 57 LYS HA 5.490 . 5.490 5.486 4.919 6.793 1.303 8 1 "[ . + 1 . 2]" 1
672 1 37 ASP H 1 58 CYS H 3.920 . 3.920 3.799 3.331 5.272 1.352 8 1 "[ . + 1 . 2]" 1
673 1 37 ASP H 1 58 CYS QB 3.480 . 3.480 2.609 1.960 3.926 0.446 8 0 "[ . 1 . 2]" 1
674 1 37 ASP H 1 59 LEU HA 5.500 . 5.500 4.566 3.250 6.716 1.216 8 1 "[ . + 1 . 2]" 1
675 1 37 ASP HA 1 39 GLU QG 5.500 . 5.500 4.397 3.814 4.918 . 0 0 "[ . 1 . 2]" 1
676 1 37 ASP HA 1 57 LYS QD 4.110 . 4.110 3.492 2.395 5.040 0.930 17 1 "[ . 1 . + 2]" 1
677 1 37 ASP HA 1 57 LYS QG 3.480 . 3.480 3.121 2.137 4.146 0.666 17 1 "[ . 1 . + 2]" 1
678 1 37 ASP QB 1 38 TYR H 3.920 . 3.920 3.196 2.593 4.007 0.087 1 0 "[ . 1 . 2]" 1
679 1 38 TYR H 1 38 TYR QB . . 2.980 2.259 2.055 2.821 . 0 0 "[ . 1 . 2]" 1
680 1 38 TYR H 1 38 TYR QD 3.580 . 3.580 4.035 2.714 4.497 0.917 8 12 "[* **** +*1- * .* **2]" 1
681 1 38 TYR H 1 39 GLU H 4.710 . 4.710 4.534 4.166 4.632 . 0 0 "[ . 1 . 2]" 1
682 1 38 TYR H 1 39 GLU QG 5.500 . 5.500 4.645 3.848 5.020 . 0 0 "[ . 1 . 2]" 1
683 1 38 TYR H 1 57 LYS HA 5.500 . 5.500 5.185 3.411 5.919 0.419 14 0 "[ . 1 . 2]" 1
684 1 38 TYR H 1 58 CYS H 4.160 . 4.160 3.671 2.174 4.310 0.150 14 0 "[ . 1 . 2]" 1
685 1 38 TYR H 1 58 CYS QB 3.210 . 3.210 2.719 1.818 3.610 0.400 8 0 "[ . 1 . 2]" 1
686 1 38 TYR HA 1 38 TYR QD 3.550 . 3.550 2.886 2.705 3.083 . 0 0 "[ . 1 . 2]" 1
687 1 38 TYR HA 1 38 TYR QE 4.560 . 4.560 4.512 4.375 4.642 0.082 1 0 "[ . 1 . 2]" 1
688 1 38 TYR HA 1 39 GLU H 2.600 . 2.600 2.205 2.078 2.302 . 0 0 "[ . 1 . 2]" 1
689 1 38 TYR HA 1 39 GLU HA 4.870 . 4.870 4.396 4.354 4.434 . 0 0 "[ . 1 . 2]" 1
690 1 38 TYR HA 1 39 GLU QG 4.880 . 4.880 3.507 3.122 3.905 . 0 0 "[ . 1 . 2]" 1
691 1 38 TYR HA 1 58 CYS H 5.260 . 5.260 4.904 4.320 5.433 0.173 16 0 "[ . 1 . 2]" 1
692 1 38 TYR QB 1 39 GLU H 3.950 . 3.950 3.542 3.407 3.788 . 0 0 "[ . 1 . 2]" 1
693 1 38 TYR QB 1 39 GLU QG 5.490 . 5.490 4.736 4.595 4.931 . 0 0 "[ . 1 . 2]" 1
694 1 38 TYR QB 1 40 ILE MD 5.450 . 5.450 5.658 4.585 6.306 0.856 13 4 "[ .- ** + . 2]" 1
695 1 38 TYR QB 1 40 ILE MG 4.750 . 4.750 3.988 2.652 4.373 . 0 0 "[ . 1 . 2]" 1
696 1 38 TYR QB 1 58 CYS H 3.860 . 3.860 3.894 3.414 4.483 0.623 9 2 "[ . +1 -. 2]" 1
697 1 38 TYR QB 1 58 CYS QB . . 4.240 2.885 2.257 3.489 . 0 0 "[ . 1 . 2]" 1
698 1 38 TYR QB 1 64 TRP HZ2 5.360 . 5.360 5.130 4.104 6.327 0.967 13 1 "[ . 1 + . 2]" 1
699 1 38 TYR QD 1 39 GLU H 3.570 . 3.570 3.280 2.931 3.735 0.165 9 0 "[ . 1 . 2]" 1
700 1 38 TYR QD 1 40 ILE H 4.250 . 4.250 4.624 3.803 5.070 0.820 12 8 "[ .* ** +* * *- 2]" 1
701 1 38 TYR QD 1 40 ILE HA 4.540 . 4.540 4.591 4.110 4.998 0.458 5 0 "[ . 1 . 2]" 1
702 1 38 TYR QD 1 40 ILE MG 2.950 . 2.950 2.436 2.072 2.838 . 0 0 "[ . 1 . 2]" 1
703 1 38 TYR QD 1 58 CYS QB 5.500 . 5.500 4.381 3.810 5.119 . 0 0 "[ . 1 . 2]" 1
704 1 38 TYR QE 1 39 GLU H 4.240 . 4.240 4.367 3.952 5.438 1.198 17 3 "[ . 1- * + 2]" 1
705 1 38 TYR QE 1 40 ILE HA 4.470 . 4.470 4.262 3.582 6.035 1.565 17 2 "[ . 1 - + 2]" 1
706 1 38 TYR QE 1 40 ILE MG 3.020 . 3.020 2.542 1.971 4.238 1.218 17 2 "[ . 1 - + 2]" 1
707 1 39 GLU H 1 39 GLU HB2 3.270 . 3.270 2.642 2.513 2.739 . 0 0 "[ . 1 . 2]" 1
708 1 39 GLU H 1 39 GLU HB3 3.840 . 3.840 3.760 3.691 3.826 . 0 0 "[ . 1 . 2]" 1
709 1 39 GLU H 1 39 GLU QG 3.880 . 3.880 2.747 2.539 3.012 . 0 0 "[ . 1 . 2]" 1
710 1 39 GLU H 1 40 ILE H 4.230 . 4.230 4.392 4.045 4.501 0.271 9 0 "[ . 1 . 2]" 1
711 1 39 GLU H 1 40 ILE MG 4.630 . 4.630 4.218 4.008 4.599 . 0 0 "[ . 1 . 2]" 1
712 1 39 GLU HA 1 39 GLU QG . . 3.750 2.498 2.400 2.603 . 0 0 "[ . 1 . 2]" 1
713 1 39 GLU HA 1 40 ILE H 2.680 . 2.680 2.219 2.090 2.339 . 0 0 "[ . 1 . 2]" 1
714 1 39 GLU HA 1 40 ILE HA 4.880 . 4.880 4.417 4.364 4.485 . 0 0 "[ . 1 . 2]" 1
715 1 39 GLU HA 1 40 ILE MD 5.200 . 5.200 5.139 4.827 5.356 0.156 3 0 "[ . 1 . 2]" 1
716 1 39 GLU HA 1 40 ILE HG12 4.680 . 4.680 3.791 3.460 4.019 . 0 0 "[ . 1 . 2]" 1
717 1 39 GLU HA 1 40 ILE HG13 5.500 . 5.500 4.991 4.771 5.100 . 0 0 "[ . 1 . 2]" 1
718 1 39 GLU HA 1 40 ILE MG 4.430 . 4.430 3.724 3.533 3.958 . 0 0 "[ . 1 . 2]" 1
719 1 39 GLU HA 1 55 VAL QG 4.340 . 4.340 4.398 3.802 5.735 1.395 13 2 "[ . 1 + .- 2]" 1
720 1 39 GLU HA 1 56 ARG H 4.110 . 4.110 4.060 3.681 4.504 0.394 16 0 "[ . 1 . 2]" 1
721 1 39 GLU HB2 1 40 ILE H 4.770 . 4.770 4.000 3.671 4.388 . 0 0 "[ . 1 . 2]" 1
722 1 39 GLU HB3 1 40 ILE H 3.910 . 3.910 3.057 2.569 3.841 . 0 0 "[ . 1 . 2]" 1
723 1 39 GLU HB3 1 55 VAL QG 4.090 . 4.090 3.095 2.297 4.238 0.148 13 0 "[ . 1 . 2]" 1
724 1 39 GLU HB3 1 56 ARG H 4.930 . 4.930 3.789 3.218 4.611 . 0 0 "[ . 1 . 2]" 1
725 1 39 GLU QG 1 40 ILE H . . 4.470 4.131 3.906 4.425 . 0 0 "[ . 1 . 2]" 1
726 1 39 GLU QG 1 57 LYS HB2 . . 3.940 2.782 1.789 4.226 0.286 18 0 "[ . 1 . 2]" 1
727 1 39 GLU QG 1 57 LYS HB3 5.110 . 5.110 4.190 3.418 5.229 0.119 18 0 "[ . 1 . 2]" 1
728 1 39 GLU QG 1 57 LYS QE 4.650 . 4.650 3.277 1.863 5.335 0.685 3 1 "[ + . 1 . 2]" 1
729 1 39 GLU QG 1 57 LYS QG 4.480 . 4.480 2.620 2.126 4.069 . 0 0 "[ . 1 . 2]" 1
730 1 39 GLU QG 1 58 CYS H . . 4.810 3.920 3.247 5.242 0.432 8 0 "[ . 1 . 2]" 1
731 1 40 ILE H 1 40 ILE HB 4.100 . 4.100 3.802 3.680 3.872 . 0 0 "[ . 1 . 2]" 1
732 1 40 ILE H 1 40 ILE MD 3.990 . 3.990 3.866 3.676 4.004 0.014 12 0 "[ . 1 . 2]" 1
733 1 40 ILE H 1 40 ILE HG12 3.110 . 3.110 2.224 1.989 2.404 . 0 0 "[ . 1 . 2]" 1
734 1 40 ILE H 1 40 ILE HG13 3.570 . 3.570 2.932 2.838 3.003 . 0 0 "[ . 1 . 2]" 1
735 1 40 ILE H 1 40 ILE MG 3.230 . 3.230 2.940 2.570 3.146 . 0 0 "[ . 1 . 2]" 1
736 1 40 ILE H 1 41 GLU H 4.510 . 4.510 4.459 4.384 4.545 0.035 17 0 "[ . 1 . 2]" 1
737 1 40 ILE H 1 55 VAL HA 4.630 . 4.630 4.449 3.816 4.790 0.160 16 0 "[ . 1 . 2]" 1
738 1 40 ILE H 1 56 ARG H 3.300 . 3.300 2.760 2.347 3.026 . 0 0 "[ . 1 . 2]" 1
739 1 40 ILE H 1 56 ARG HA 5.340 . 5.340 4.683 4.534 4.864 . 0 0 "[ . 1 . 2]" 1
740 1 40 ILE H 1 56 ARG QB . . 4.020 2.871 2.582 3.526 . 0 0 "[ . 1 . 2]" 1
741 1 40 ILE H 1 64 TRP HH2 5.210 . 5.210 4.858 4.228 5.331 0.121 12 0 "[ . 1 . 2]" 1
742 1 40 ILE HA 1 40 ILE MD 4.280 . 4.280 4.187 4.182 4.192 . 0 0 "[ . 1 . 2]" 1
743 1 40 ILE HA 1 40 ILE HG12 3.840 . 3.840 3.720 3.641 3.766 . 0 0 "[ . 1 . 2]" 1
744 1 40 ILE HA 1 40 ILE HG13 4.210 . 4.210 3.712 3.676 3.751 . 0 0 "[ . 1 . 2]" 1
745 1 40 ILE HA 1 40 ILE MG 3.250 . 3.250 2.320 2.287 2.382 . 0 0 "[ . 1 . 2]" 1
746 1 40 ILE HA 1 41 GLU H 2.760 . 2.760 2.337 2.186 2.468 . 0 0 "[ . 1 . 2]" 1
747 1 40 ILE HA 1 41 GLU HA 4.870 . 4.870 4.416 4.334 4.475 . 0 0 "[ . 1 . 2]" 1
748 1 40 ILE HB 1 40 ILE MD 3.480 . 3.480 2.426 2.388 2.493 . 0 0 "[ . 1 . 2]" 1
749 1 40 ILE HB 1 41 GLU H 3.060 . 3.060 2.483 2.186 2.895 . 0 0 "[ . 1 . 2]" 1
750 1 40 ILE HB 1 41 GLU HA 5.500 . 5.500 4.475 4.344 4.635 . 0 0 "[ . 1 . 2]" 1
751 1 40 ILE HB 1 42 TYR H 5.270 . 5.270 5.835 5.562 6.127 0.857 9 13 "[ **** **+1-* *. ***]" 1
752 1 40 ILE HB 1 56 ARG H 5.250 . 5.250 5.305 4.915 5.664 0.414 10 0 "[ . 1 . 2]" 1
753 1 40 ILE MD 1 40 ILE MG 3.050 . 3.050 1.938 1.891 2.003 . 0 0 "[ . 1 . 2]" 1
754 1 40 ILE MD 1 41 GLU H 4.640 . 4.640 4.350 4.008 4.692 0.052 18 0 "[ . 1 . 2]" 1
755 1 40 ILE MD 1 41 GLU HA 5.500 . 5.500 5.180 4.849 5.543 0.043 9 0 "[ . 1 . 2]" 1
756 1 40 ILE MD 1 42 TYR QE 3.930 . 3.930 3.635 2.641 4.068 0.138 18 0 "[ . 1 . 2]" 1
757 1 40 ILE MD 1 55 VAL HA 5.500 . 5.500 5.932 5.447 6.079 0.579 20 12 "[** *. **-* * .* **+]" 1
758 1 40 ILE MD 1 56 ARG H 3.950 . 3.950 4.683 4.318 4.902 0.952 10 18 "[**-** ***+****.*****]" 1
759 1 40 ILE MD 1 56 ARG QB . . 4.250 2.495 2.330 2.684 . 0 0 "[ . 1 . 2]" 1
760 1 40 ILE MD 1 56 ARG QD 3.750 . 3.750 4.196 3.872 5.120 1.370 15 6 "[ * .-* * *+ 2]" 1
761 1 40 ILE MD 1 56 ARG QG . . 3.550 2.629 2.341 3.609 0.059 15 0 "[ . 1 . 2]" 1
762 1 40 ILE MD 1 57 LYS H 5.500 . 5.500 5.953 5.649 6.182 0.682 13 7 "[** . * -** + . 2]" 1
763 1 40 ILE MD 1 57 LYS HA 5.500 . 5.500 5.917 5.527 6.152 0.652 18 11 "[*- * * *1* **. *+*2]" 1
764 1 40 ILE MD 1 58 CYS QB 5.250 . 5.250 5.350 4.997 5.661 0.411 12 0 "[ . 1 . 2]" 1
765 1 40 ILE MD 1 64 TRP QB 5.500 . 5.500 4.106 3.737 4.476 . 0 0 "[ . 1 . 2]" 1
766 1 40 ILE MD 1 64 TRP HE3 4.360 . 4.360 3.938 3.738 4.167 . 0 0 "[ . 1 . 2]" 1
767 1 40 ILE HG12 1 40 ILE MG 2.720 . 2.720 2.391 2.353 2.425 . 0 0 "[ . 1 . 2]" 1
768 1 40 ILE HG12 1 41 GLU HA 5.500 . 5.500 5.482 5.145 5.645 0.145 9 0 "[ . 1 . 2]" 1
769 1 40 ILE HG12 1 42 TYR QE 5.380 . 5.380 5.132 4.618 5.713 0.333 7 0 "[ . 1 . 2]" 1
770 1 40 ILE HG12 1 55 VAL HA 5.500 . 5.500 5.560 4.973 5.955 0.455 16 0 "[ . 1 . 2]" 1
771 1 40 ILE HG12 1 56 ARG H 3.540 . 3.540 3.745 3.266 4.128 0.588 16 1 "[ . 1 .+ 2]" 1
772 1 40 ILE HG12 1 56 ARG QB 4.280 . 4.280 1.932 1.784 2.504 . 0 0 "[ . 1 . 2]" 1
773 1 40 ILE HG12 1 64 TRP HE3 4.390 . 4.390 3.614 3.374 4.022 . 0 0 "[ . 1 . 2]" 1
774 1 40 ILE HG13 1 40 ILE MG 3.430 . 3.430 3.205 3.201 3.210 . 0 0 "[ . 1 . 2]" 1
775 1 40 ILE HG13 1 41 GLU H 3.930 . 3.930 3.827 3.540 4.128 0.198 17 0 "[ . 1 . 2]" 1
776 1 40 ILE HG13 1 41 GLU HA 4.440 . 4.440 4.082 3.665 4.418 . 0 0 "[ . 1 . 2]" 1
777 1 40 ILE HG13 1 42 TYR QE 4.960 . 4.960 3.852 3.174 4.576 . 0 0 "[ . 1 . 2]" 1
778 1 40 ILE HG13 1 55 VAL HA 5.260 . 5.260 4.739 4.120 4.955 . 0 0 "[ . 1 . 2]" 1
779 1 40 ILE HG13 1 56 ARG H 4.040 . 4.040 3.433 2.980 3.773 . 0 0 "[ . 1 . 2]" 1
780 1 40 ILE HG13 1 56 ARG QB 4.100 . 4.100 2.052 1.694 2.616 . 0 0 "[ . 1 . 2]" 1
781 1 40 ILE MG 1 41 GLU H 3.680 . 3.680 3.612 3.502 3.792 0.112 15 0 "[ . 1 . 2]" 1
782 1 40 ILE MG 1 41 GLU HA 5.500 . 5.500 5.478 5.423 5.530 0.030 9 0 "[ . 1 . 2]" 1
783 1 40 ILE MG 1 42 TYR QE 5.500 . 5.500 5.884 5.384 6.093 0.593 10 11 "[ * .*** + -**. ** *]" 1
784 1 40 ILE MG 1 56 ARG H 4.980 . 4.980 5.079 4.707 5.321 0.341 16 0 "[ . 1 . 2]" 1
785 1 40 ILE MG 1 56 ARG QB 5.500 . 5.500 3.864 3.731 4.314 . 0 0 "[ . 1 . 2]" 1
786 1 40 ILE MG 1 58 CYS H 5.500 . 5.500 5.423 4.860 5.930 0.430 18 0 "[ . 1 . 2]" 1
787 1 40 ILE MG 1 64 TRP HH2 3.950 . 3.950 2.565 2.218 3.087 . 0 0 "[ . 1 . 2]" 1
788 1 41 GLU H 1 41 GLU QB 3.150 . 3.150 2.472 2.339 2.617 . 0 0 "[ . 1 . 2]" 1
789 1 41 GLU H 1 41 GLU HG2 5.060 . 5.060 4.430 4.323 4.550 . 0 0 "[ . 1 . 2]" 1
790 1 41 GLU H 1 41 GLU QG 4.350 . 4.350 4.050 3.973 4.112 . 0 0 "[ . 1 . 2]" 1
791 1 41 GLU H 1 41 GLU HG3 5.060 . 5.060 4.690 4.625 4.745 . 0 0 "[ . 1 . 2]" 1
792 1 41 GLU H 1 42 TYR H 4.370 . 4.370 4.457 4.368 4.509 0.139 9 0 "[ . 1 . 2]" 1
793 1 41 GLU H 1 43 VAL QG 4.960 . 4.960 4.549 4.193 4.837 . 0 0 "[ . 1 . 2]" 1
794 1 41 GLU HA 1 41 GLU HG2 3.950 . 3.950 3.135 2.811 3.297 . 0 0 "[ . 1 . 2]" 1
795 1 41 GLU HA 1 41 GLU HG3 3.950 . 3.950 2.591 2.482 2.713 . 0 0 "[ . 1 . 2]" 1
796 1 41 GLU HA 1 42 TYR H 2.780 . 2.780 2.312 2.179 2.533 . 0 0 "[ . 1 . 2]" 1
797 1 41 GLU HA 1 42 TYR QB 4.530 . 4.530 4.352 4.149 4.456 . 0 0 "[ . 1 . 2]" 1
798 1 41 GLU HA 1 42 TYR QD 4.260 . 4.260 3.528 3.109 4.323 0.063 7 0 "[ . 1 . 2]" 1
799 1 41 GLU HA 1 54 LYS HA 5.000 . 5.000 4.622 4.284 5.105 0.105 20 0 "[ . 1 . 2]" 1
800 1 41 GLU HA 1 55 VAL QG 4.720 . 4.720 4.601 3.848 5.290 0.570 11 1 "[ . 1+ . 2]" 1
801 1 41 GLU HA 1 56 ARG H 4.490 . 4.490 4.156 3.588 4.736 0.246 11 0 "[ . 1 . 2]" 1
802 1 41 GLU QB 1 55 VAL HA 4.290 . 4.290 4.484 3.942 5.198 0.908 11 2 "[ . -1+ . 2]" 1
803 1 41 GLU QG 1 42 TYR H 3.680 . 3.680 2.200 1.604 2.632 . 0 0 "[ . 1 . 2]" 1
804 1 41 GLU QG 1 43 VAL QG 4.020 . 4.020 2.674 2.235 3.752 . 0 0 "[ . 1 . 2]" 1
805 1 41 GLU QG 1 55 VAL HA 5.070 . 5.070 4.465 3.583 5.357 0.287 11 0 "[ . 1 . 2]" 1
806 1 42 TYR H 1 42 TYR QB 3.100 . 3.100 2.394 2.258 2.525 . 0 0 "[ . 1 . 2]" 1
807 1 42 TYR H 1 42 TYR QD 3.210 . 3.210 2.717 2.327 3.204 . 0 0 "[ . 1 . 2]" 1
808 1 42 TYR H 1 42 TYR QE 4.590 . 4.590 4.834 4.484 5.475 0.885 9 1 "[ . +1 . 2]" 1
809 1 42 TYR H 1 43 VAL H 4.790 . 4.790 4.161 4.014 4.262 . 0 0 "[ . 1 . 2]" 1
810 1 42 TYR H 1 43 VAL QG 4.690 . 4.690 4.075 3.826 4.227 . 0 0 "[ . 1 . 2]" 1
811 1 42 TYR H 1 50 VAL QG 5.340 . 5.340 4.212 3.413 4.952 . 0 0 "[ . 1 . 2]" 1
812 1 42 TYR H 1 54 LYS H 5.430 . 5.430 5.510 5.079 6.332 0.902 20 2 "[ . - 1 . +]" 1
813 1 42 TYR H 1 54 LYS HA 3.900 . 3.900 3.854 3.094 5.029 1.129 20 1 "[ . 1 . +]" 1
814 1 42 TYR H 1 54 LYS QB 3.860 . 3.860 1.994 1.614 2.745 . 0 0 "[ . 1 . 2]" 1
815 1 42 TYR H 1 54 LYS HD3 4.190 . 4.190 3.904 2.932 4.980 0.790 16 1 "[ . 1 .+ 2]" 1
816 1 42 TYR H 1 54 LYS QG 4.660 . 4.660 3.979 3.441 4.411 . 0 0 "[ . 1 . 2]" 1
817 1 42 TYR H 1 55 VAL H 4.880 . 4.880 5.070 3.987 6.134 1.254 20 6 "[ * .- * 1** . +]" 1
818 1 42 TYR H 1 55 VAL HA 4.210 . 4.210 4.830 4.051 5.639 1.429 11 11 "[** .* *-*+** . * *]" 1
819 1 42 TYR H 1 56 ARG H 5.500 . 5.500 5.936 5.096 6.492 0.992 11 9 "[ * .* * *+* *. - *]" 1
820 1 42 TYR HA 1 43 VAL H 2.770 . 2.770 2.176 2.148 2.194 . 0 0 "[ . 1 . 2]" 1
821 1 42 TYR HA 1 43 VAL QG 4.460 . 4.460 3.452 3.407 3.493 . 0 0 "[ . 1 . 2]" 1
822 1 42 TYR QB 1 43 VAL H . . 3.260 3.613 3.583 3.672 0.412 9 0 "[ . 1 . 2]" 1
823 1 42 TYR QB 1 43 VAL HA 4.360 . 4.360 4.305 4.257 4.381 0.021 15 0 "[ . 1 . 2]" 1
824 1 42 TYR QB 1 43 VAL QG 4.910 . 4.910 4.285 4.201 4.328 . 0 0 "[ . 1 . 2]" 1
825 1 42 TYR QB 1 50 VAL QG . . 3.830 2.986 2.175 3.748 . 0 0 "[ . 1 . 2]" 1
826 1 42 TYR QB 1 54 LYS H 4.710 . 4.710 5.139 4.622 5.783 1.073 20 8 "[** - * ** . * +]" 1
827 1 42 TYR QB 1 54 LYS HA 3.560 . 3.560 3.429 2.420 4.497 0.937 20 1 "[ . 1 . +]" 1
828 1 42 TYR QB 1 55 VAL H 4.850 . 4.850 5.180 4.010 6.089 1.239 20 8 "[ * .* * ** - * +]" 1
829 1 42 TYR QD 1 43 VAL H 4.490 . 4.490 4.523 4.154 4.712 0.222 3 0 "[ . 1 . 2]" 1
830 1 42 TYR QD 1 50 VAL QG . . 5.030 4.519 3.755 5.278 0.248 17 0 "[ . 1 . 2]" 1
831 1 42 TYR QD 1 54 LYS H 5.500 . 5.500 5.422 4.590 6.404 0.904 1 6 "[+ - *1* .* *2]" 1
832 1 42 TYR QD 1 54 LYS HA 3.830 . 3.830 2.875 1.981 4.136 0.306 16 0 "[ . 1 . 2]" 1
833 1 42 TYR QD 1 55 VAL HA 4.520 . 4.520 4.619 3.966 5.420 0.900 16 3 "[ . 1* - .+ 2]" 1
834 1 42 TYR QD 1 55 VAL QG 5.440 . 5.440 5.212 4.913 5.661 0.221 16 0 "[ . 1 . 2]" 1
835 1 42 TYR QD 1 56 ARG H 5.300 . 5.300 5.186 4.520 5.893 0.593 10 1 "[ . + . 2]" 1
836 1 42 TYR QD 1 71 SER QB 4.550 . 4.550 3.897 2.568 4.649 0.099 11 0 "[ . 1 . 2]" 1
837 1 42 TYR QE 1 56 ARG H 5.080 . 5.080 4.793 3.977 5.702 0.622 16 1 "[ . 1 .+ 2]" 1
838 1 42 TYR QE 1 56 ARG QD . . 4.470 3.327 2.917 3.884 . 0 0 "[ . 1 . 2]" 1
839 1 42 TYR QE 1 56 ARG QG . . 4.130 1.878 1.619 2.296 . 0 0 "[ . 1 . 2]" 1
840 1 42 TYR QE 1 71 SER H 4.950 . 4.950 6.024 4.381 7.390 2.440 11 18 "[******** *+**** **-*]" 1
841 1 42 TYR QE 1 71 SER QB 5.340 . 5.340 5.223 4.466 6.012 0.672 13 2 "[ . 1- + . 2]" 1
842 1 43 VAL H 1 43 VAL HB 4.070 . 4.070 3.708 3.680 3.752 . 0 0 "[ . 1 . 2]" 1
843 1 43 VAL H 1 43 VAL QG . . 3.180 1.924 1.882 1.991 . 0 0 "[ . 1 . 2]" 1
844 1 43 VAL H 1 44 CYS H 4.480 . 4.480 4.529 4.493 4.570 0.090 12 0 "[ . 1 . 2]" 1
845 1 43 VAL H 1 44 CYS HA 5.070 . 5.070 5.133 5.022 5.254 0.184 15 0 "[ . 1 . 2]" 1
846 1 43 VAL H 1 50 VAL QG 4.950 . 4.950 4.362 4.068 4.571 . 0 0 "[ . 1 . 2]" 1
847 1 43 VAL H 1 54 LYS QB 5.390 . 5.390 5.360 4.706 6.201 0.811 20 3 "[ . - 1* . +]" 1
848 1 43 VAL HA 1 44 CYS H 2.630 . 2.630 2.390 2.186 2.499 . 0 0 "[ . 1 . 2]" 1
849 1 43 VAL HB 1 44 CYS H 2.950 . 2.950 2.443 2.128 3.092 0.142 20 0 "[ . 1 . 2]" 1
850 1 43 VAL HB 1 44 CYS HA 4.960 . 4.960 4.621 4.478 4.832 . 0 0 "[ . 1 . 2]" 1
851 1 43 VAL HB 1 48 ARG H 5.500 . 5.500 5.672 4.593 7.272 1.772 16 4 "[ *-. 1 .+ * 2]" 1
852 1 43 VAL QG 1 44 CYS H . . 3.680 3.160 3.021 3.447 . 0 0 "[ . 1 . 2]" 1
853 1 43 VAL QG 1 44 CYS HA . . 5.330 3.984 3.682 4.221 . 0 0 "[ . 1 . 2]" 1
854 1 44 CYS H 1 44 CYS QB . . 3.180 2.362 2.307 2.484 . 0 0 "[ . 1 . 2]" 1
855 1 44 CYS H 1 48 ARG H 4.570 . 4.570 4.637 3.817 6.036 1.466 16 3 "[ * . 1 .+ - 2]" 1
856 1 44 CYS H 1 48 ARG QG 5.260 . 5.260 5.855 5.048 6.838 1.578 3 8 "[ +*. * * *-* * 2]" 1
857 1 44 CYS H 1 50 VAL QG 3.740 . 3.740 3.027 2.536 3.890 0.150 8 0 "[ . 1 . 2]" 1
858 1 44 CYS HA 1 45 ARG H 2.860 . 2.860 2.466 2.067 2.654 . 0 0 "[ . 1 . 2]" 1
859 1 44 CYS HA 1 45 ARG HA 5.230 . 5.230 4.262 4.077 4.347 . 0 0 "[ . 1 . 2]" 1
860 1 44 CYS HA 1 45 ARG QB 4.410 . 4.410 4.288 3.903 4.758 0.348 2 0 "[ . 1 . 2]" 1
861 1 44 CYS HA 1 45 ARG QG 5.360 . 5.360 5.110 3.785 5.667 0.307 14 0 "[ . 1 . 2]" 1
862 1 44 CYS HA 1 48 ARG H 5.500 . 5.500 5.792 5.212 6.363 0.863 18 5 "[ * . 1 -** + 2]" 1
863 1 44 CYS QB 1 45 ARG H . . 3.460 3.128 2.080 3.684 0.224 3 0 "[ . 1 . 2]" 1
864 1 44 CYS QB 1 47 GLU H 5.040 . 5.040 5.682 4.663 6.436 1.396 16 12 "[* -.* * ** **+***2]" 1
865 1 44 CYS QB 1 48 ARG H . . 3.780 3.331 2.733 4.153 0.373 16 0 "[ . 1 . 2]" 1
866 1 44 CYS QB 1 49 GLU H 4.900 . 4.900 4.323 3.662 5.257 0.357 2 0 "[ . 1 . 2]" 1
867 1 44 CYS QB 1 73 CYS HA 4.950 . 4.950 3.602 3.077 5.056 0.106 8 0 "[ . 1 . 2]" 1
868 1 45 ARG H 1 45 ARG QB 2.940 . 2.940 2.204 2.014 2.461 . 0 0 "[ . 1 . 2]" 1
869 1 45 ARG H 1 45 ARG QD 4.960 . 4.960 4.201 3.563 4.658 . 0 0 "[ . 1 . 2]" 1
870 1 45 ARG H 1 45 ARG QG . . 3.890 3.464 2.230 3.959 0.069 4 0 "[ . 1 . 2]" 1
871 1 45 ARG H 1 48 ARG H 5.500 . 5.500 5.188 4.347 5.820 0.320 3 0 "[ . 1 . 2]" 1
872 1 45 ARG HA 1 45 ARG QD 3.350 . 3.350 2.664 1.746 4.070 0.720 1 3 "[+ * . 1 .- 2]" 1
873 1 45 ARG HA 1 45 ARG QG 3.940 . 3.940 2.490 2.253 2.913 . 0 0 "[ . 1 . 2]" 1
874 1 45 ARG HA 1 46 GLY H 2.710 . 2.710 2.158 2.110 2.323 . 0 0 "[ . 1 . 2]" 1
875 1 45 ARG HA 1 46 GLY HA3 4.910 . 4.910 4.387 4.307 4.502 . 0 0 "[ . 1 . 2]" 1
876 1 45 ARG QB 1 45 ARG QD . . 3.420 2.305 2.110 2.627 . 0 0 "[ . 1 . 2]" 1
877 1 45 ARG QB 1 46 GLY H 3.240 . 3.240 3.657 2.740 3.991 0.751 15 10 "[* **. * ** - *+ * 2]" 1
878 1 45 ARG QB 1 46 GLY HA3 4.350 . 4.350 4.288 3.905 4.677 0.327 3 0 "[ . 1 . 2]" 1
879 1 45 ARG QD 1 46 GLY H 4.500 . 4.500 3.226 2.158 4.985 0.485 3 0 "[ . 1 . 2]" 1
880 1 45 ARG QG 1 46 GLY H 4.090 . 4.090 3.783 2.648 4.770 0.680 8 3 "[ * . + 1- . 2]" 1
881 1 46 GLY H 1 47 GLU QG 5.340 . 5.340 5.931 5.043 6.724 1.384 17 11 "[ .* * -** ***+**2]" 1
882 1 46 GLY HA3 1 47 GLU H 2.800 . 2.800 2.192 2.110 2.439 . 0 0 "[ . 1 . 2]" 1
883 1 46 GLY HA3 1 47 GLU HA 5.240 . 5.240 4.400 4.344 4.492 . 0 0 "[ . 1 . 2]" 1
884 1 46 GLY HA3 1 47 GLU HB2 5.500 . 5.500 5.575 4.600 5.890 0.390 8 0 "[ . 1 . 2]" 1
885 1 46 GLY HA3 1 47 GLU QB 4.710 . 4.710 4.564 4.215 4.917 0.207 8 0 "[ . 1 . 2]" 1
886 1 46 GLY HA3 1 47 GLU HB3 5.500 . 5.500 4.956 4.372 5.772 0.272 1 0 "[ . 1 . 2]" 1
887 1 46 GLY HA3 1 47 GLU QG 4.160 . 4.160 3.890 3.392 4.601 0.441 17 0 "[ . 1 . 2]" 1
888 1 46 GLY HA3 1 48 ARG H 5.440 . 5.440 3.791 3.012 4.764 . 0 0 "[ . 1 . 2]" 1
889 1 47 GLU H 1 47 GLU HB2 4.170 . 4.170 3.567 2.523 3.929 . 0 0 "[ . 1 . 2]" 1
890 1 47 GLU H 1 47 GLU QB 3.610 . 3.610 2.921 2.484 3.262 . 0 0 "[ . 1 . 2]" 1
891 1 47 GLU H 1 47 GLU HB3 4.170 . 4.170 3.225 2.901 3.835 . 0 0 "[ . 1 . 2]" 1
892 1 47 GLU H 1 47 GLU QG 3.020 . 3.020 2.308 1.745 3.325 0.305 20 0 "[ . 1 . 2]" 1
893 1 47 GLU H 1 48 ARG H 3.500 . 3.500 2.811 2.102 3.850 0.350 8 0 "[ . 1 . 2]" 1
894 1 47 GLU H 1 48 ARG QG 3.950 . 3.950 3.143 2.602 3.718 . 0 0 "[ . 1 . 2]" 1
895 1 47 GLU HA 1 47 GLU QB 2.630 . 2.630 2.204 2.158 2.417 . 0 0 "[ . 1 . 2]" 1
896 1 47 GLU HA 1 47 GLU QG 3.480 . 3.480 3.214 2.274 3.522 0.042 17 0 "[ . 1 . 2]" 1
897 1 47 GLU HA 1 48 ARG H 3.150 . 3.150 2.764 2.235 3.112 . 0 0 "[ . 1 . 2]" 1
898 1 47 GLU QB 1 47 GLU QG 2.270 . 2.270 2.073 2.009 2.089 . 0 0 "[ . 1 . 2]" 1
899 1 47 GLU QB 1 48 ARG H 3.810 . 3.810 3.935 3.622 4.035 0.225 17 0 "[ . 1 . 2]" 1
900 1 47 GLU QB 1 48 ARG HA 4.790 . 4.790 4.520 4.132 4.690 . 0 0 "[ . 1 . 2]" 1
901 1 47 GLU QB 1 48 ARG QD 5.180 . 5.180 4.832 3.873 6.082 0.902 8 2 "[ . + 1 - . 2]" 1
902 1 47 GLU HB2 1 48 ARG H 4.540 . 4.540 4.336 3.829 4.525 . 0 0 "[ . 1 . 2]" 1
903 1 47 GLU HB3 1 48 ARG H 4.540 . 4.540 4.529 4.081 4.642 0.102 2 0 "[ . 1 . 2]" 1
904 1 47 GLU QG 1 48 ARG H 5.270 . 5.270 3.970 3.353 4.684 . 0 0 "[ . 1 . 2]" 1
905 1 47 GLU QG 1 48 ARG QD 5.180 . 5.180 3.998 2.712 6.024 0.844 20 2 "[- . 1 . +]" 1
906 1 48 ARG H 1 48 ARG QB . . 3.150 2.530 2.285 2.800 . 0 0 "[ . 1 . 2]" 1
907 1 48 ARG H 1 48 ARG HD2 4.580 . 4.580 4.299 3.341 5.479 0.899 6 3 "[ .+ * 1 . -]" 1
908 1 48 ARG H 1 48 ARG QD 3.750 . 3.750 3.775 3.197 4.650 0.900 8 2 "[ .- + 1 . 2]" 1
909 1 48 ARG H 1 48 ARG HD3 4.580 . 4.580 4.407 3.564 5.203 0.623 8 3 "[ . + - * . 2]" 1
910 1 48 ARG H 1 48 ARG QG 2.680 . 2.680 2.560 2.108 3.432 0.752 6 1 "[ .+ 1 . 2]" 1
911 1 48 ARG H 1 49 GLU H 4.490 . 4.490 4.431 4.111 4.581 0.091 3 0 "[ . 1 . 2]" 1
912 1 48 ARG H 1 49 GLU HA 4.930 . 4.930 5.000 4.434 5.296 0.366 2 0 "[ . 1 . 2]" 1
913 1 48 ARG H 1 50 VAL QG 5.500 . 5.500 5.587 4.875 6.450 0.950 19 2 "[ . 1 . -+2]" 1
914 1 48 ARG HA 1 48 ARG HD2 4.360 . 4.360 2.548 1.964 3.912 . 0 0 "[ . 1 . 2]" 1
915 1 48 ARG HA 1 48 ARG HD3 4.360 . 4.360 3.264 1.932 4.812 0.452 8 0 "[ . 1 . 2]" 1
916 1 48 ARG HA 1 49 GLU H 2.640 . 2.640 2.211 2.124 2.432 . 0 0 "[ . 1 . 2]" 1
917 1 48 ARG HA 1 49 GLU QG 5.060 . 5.060 3.837 3.094 5.158 0.098 7 0 "[ . 1 . 2]" 1
918 1 48 ARG QB 1 48 ARG QD 3.000 . 3.000 2.516 2.224 2.799 . 0 0 "[ . 1 . 2]" 1
919 1 48 ARG QB 1 49 GLU H 3.610 . 3.610 3.053 2.461 3.483 . 0 0 "[ . 1 . 2]" 1
920 1 48 ARG QB 1 50 VAL QG 4.060 . 4.060 4.074 3.571 4.659 0.599 18 1 "[ . 1 . + 2]" 1
921 1 48 ARG QB 1 73 CYS HA 5.470 . 5.470 4.357 3.437 5.062 . 0 0 "[ . 1 . 2]" 1
922 1 48 ARG QD 1 49 GLU H 4.370 . 4.370 3.867 3.184 5.276 0.906 8 1 "[ . + 1 . 2]" 1
923 1 48 ARG QG 1 49 GLU H . . 4.260 4.596 4.289 4.873 0.613 16 3 "[ . 1- *.+ 2]" 1
924 1 49 GLU H 1 49 GLU QB 2.920 . 2.920 2.471 2.240 2.620 . 0 0 "[ . 1 . 2]" 1
925 1 49 GLU H 1 49 GLU QG 3.890 . 3.890 2.683 2.153 3.739 . 0 0 "[ . 1 . 2]" 1
926 1 49 GLU H 1 50 VAL QG 4.250 . 4.250 4.640 4.347 5.277 1.027 2 4 "[ + . ** . -]" 1
927 1 49 GLU H 1 73 CYS HA 5.440 . 5.440 5.248 4.662 6.006 0.566 12 1 "[ . 1 + . 2]" 1
928 1 49 GLU H 1 73 CYS QB 5.340 . 5.340 5.036 3.892 6.317 0.977 8 4 "[- .**+ 1 . 2]" 1
929 1 49 GLU H 1 74 VAL H 4.240 . 4.240 4.825 4.056 6.176 1.936 9 10 "[ * * +1** *.*** -]" 1
930 1 49 GLU HA 1 49 GLU QG 3.380 . 3.380 2.460 2.343 2.969 . 0 0 "[ . 1 . 2]" 1
931 1 49 GLU HA 1 50 VAL H 2.450 . 2.450 2.318 2.129 2.519 0.069 16 0 "[ . 1 . 2]" 1
932 1 49 GLU HA 1 50 VAL QG 3.790 . 3.790 3.206 3.107 3.524 . 0 0 "[ . 1 . 2]" 1
933 1 49 GLU QB 1 50 VAL H 2.970 . 2.970 2.582 2.205 3.423 0.453 2 0 "[ . 1 . 2]" 1
934 1 49 GLU QB 1 51 VAL H 5.340 . 5.340 5.172 4.501 5.545 0.205 10 0 "[ . 1 . 2]" 1
935 1 49 GLU QB 1 74 VAL H 5.150 . 5.150 4.551 3.817 5.644 0.494 12 0 "[ . 1 . 2]" 1
936 1 49 GLU QG 1 50 VAL H 4.280 . 4.280 3.943 3.427 4.746 0.466 2 0 "[ . 1 . 2]" 1
937 1 50 VAL H 1 50 VAL QG 2.670 . 2.670 2.069 1.843 2.194 . 0 0 "[ . 1 . 2]" 1
938 1 50 VAL H 1 51 VAL H 4.420 . 4.420 4.419 4.229 4.561 0.141 10 0 "[ . 1 . 2]" 1
939 1 50 VAL H 1 54 LYS QE 4.150 . 4.150 4.416 3.256 5.300 1.150 11 4 "[ * . *1+ . - 2]" 1
940 1 50 VAL H 1 54 LYS QG 5.380 . 5.380 5.587 4.432 6.614 1.234 17 7 "[ * *. -** .*+ 2]" 1
941 1 50 VAL H 1 73 CYS HA 4.860 . 4.860 4.576 4.013 5.266 0.406 12 0 "[ . 1 . 2]" 1
942 1 50 VAL H 1 74 VAL H 4.430 . 4.430 4.872 4.359 5.663 1.233 20 7 "[ -* **** . +]" 1
943 1 50 VAL HA 1 50 VAL QG . . 3.060 2.319 2.243 2.364 . 0 0 "[ . 1 . 2]" 1
944 1 50 VAL HA 1 51 VAL H 2.560 . 2.560 2.239 2.139 2.309 . 0 0 "[ . 1 . 2]" 1
945 1 50 VAL HA 1 71 SER QB 5.340 . 5.340 5.110 4.558 6.023 0.683 17 3 "[ . 1 *.-+ 2]" 1
946 1 50 VAL HA 1 73 CYS HA 3.630 . 3.630 2.285 1.765 3.022 . 0 0 "[ . 1 . 2]" 1
947 1 50 VAL HA 1 74 VAL H 3.890 . 3.890 2.537 1.991 3.525 . 0 0 "[ . 1 . 2]" 1
948 1 50 VAL HB 1 54 LYS QE 4.990 . 4.990 5.555 4.349 6.065 1.075 19 13 "[** *****-*** . *+2]" 1
949 1 50 VAL HB 1 72 ARG H 4.020 . 4.020 3.806 2.608 5.984 1.964 2 3 "[ + . 1 .-* 2]" 1
950 1 50 VAL HB 1 73 CYS H 4.050 . 4.050 4.845 4.001 5.793 1.743 16 17 "[****.*-*******.+** *]" 1
951 1 50 VAL HB 1 73 CYS HA 4.380 . 4.380 3.566 3.080 4.045 . 0 0 "[ . 1 . 2]" 1
952 1 50 VAL HB 1 74 VAL H 3.900 . 3.900 4.654 4.094 5.827 1.927 20 14 "[ ***** **** * * * -+]" 1
953 1 50 VAL QG 1 51 VAL H 3.620 . 3.620 3.381 2.907 3.628 0.008 6 0 "[ . 1 . 2]" 1
954 1 50 VAL QG 1 52 GLY H 4.020 . 4.020 3.245 2.991 3.746 . 0 0 "[ . 1 . 2]" 1
955 1 50 VAL QG 1 54 LYS H 3.980 . 3.980 4.556 4.153 5.156 1.176 17 12 "[****. ** ** *-.*+ 2]" 1
956 1 50 VAL QG 1 54 LYS QB 4.060 . 4.060 2.936 2.482 3.566 . 0 0 "[ . 1 . 2]" 1
957 1 50 VAL QG 1 54 LYS HD2 4.780 . 4.780 3.568 3.024 4.573 . 0 0 "[ . 1 . 2]" 1
958 1 50 VAL QG 1 54 LYS HD3 4.980 . 4.980 2.448 1.891 4.012 . 0 0 "[ . 1 . 2]" 1
959 1 50 VAL QG 1 54 LYS QE 3.780 . 3.780 3.105 2.206 3.552 . 0 0 "[ . 1 . 2]" 1
960 1 50 VAL QG 1 54 LYS QG . . 3.790 3.065 1.851 3.676 . 0 0 "[ . 1 . 2]" 1
961 1 50 VAL QG 1 71 SER HA 4.630 . 4.630 4.071 3.399 4.961 0.331 17 0 "[ . 1 . 2]" 1
962 1 50 VAL QG 1 71 SER QB . . 3.730 2.505 1.754 3.540 . 0 0 "[ . 1 . 2]" 1
963 1 50 VAL QG 1 72 ARG H 3.880 . 3.880 3.992 3.303 4.521 0.641 17 2 "[ . - 1 . + 2]" 1
964 1 50 VAL QG 1 73 CYS H 3.950 . 3.950 3.373 3.042 3.902 . 0 0 "[ . 1 . 2]" 1
965 1 50 VAL QG 1 73 CYS HA 3.780 . 3.780 2.017 1.761 3.200 . 0 0 "[ . 1 . 2]" 1
966 1 50 VAL QG 1 73 CYS QB 3.230 . 3.230 2.686 1.743 3.310 0.080 4 0 "[ . 1 . 2]" 1
967 1 50 VAL QG 1 74 VAL H 3.830 . 3.830 3.598 2.992 4.578 0.748 2 2 "[ + . 1 . -]" 1
968 1 51 VAL H 1 51 VAL HB 3.000 . 3.000 3.092 2.828 3.400 0.400 17 0 "[ . 1 . 2]" 1
969 1 51 VAL H 1 51 VAL QG 2.880 . 2.880 1.997 1.887 2.260 . 0 0 "[ . 1 . 2]" 1
970 1 51 VAL H 1 52 GLY H 4.100 . 4.100 3.992 3.788 4.103 0.003 6 0 "[ . 1 . 2]" 1
971 1 51 VAL H 1 52 GLY QA 5.220 . 5.220 4.495 4.207 4.721 . 0 0 "[ . 1 . 2]" 1
972 1 51 VAL H 1 71 SER QB 5.340 . 5.340 5.236 4.263 6.735 1.395 16 2 "[ . 1 -.+ 2]" 1
973 1 51 VAL H 1 72 ARG HA 5.500 . 5.500 5.477 4.806 6.495 0.995 16 5 "[ .* -1 * .+* 2]" 1
974 1 51 VAL H 1 72 ARG QD 5.130 . 5.130 4.736 3.783 5.803 0.673 17 1 "[ . 1 . + 2]" 1
975 1 51 VAL H 1 72 ARG QG . . 4.800 3.209 2.372 4.565 . 0 0 "[ . 1 . 2]" 1
976 1 51 VAL H 1 73 CYS HA 3.880 . 3.880 3.892 3.197 4.432 0.552 14 2 "[ . 1 - +. 2]" 1
977 1 51 VAL H 1 74 VAL H 3.480 . 3.480 3.488 2.728 4.076 0.596 10 2 "[ -. + . 2]" 1
978 1 51 VAL H 1 74 VAL QG 5.440 . 5.440 3.312 2.678 4.315 . 0 0 "[ . 1 . 2]" 1
979 1 51 VAL HA 1 51 VAL QG 3.100 . 3.100 2.365 2.339 2.397 . 0 0 "[ . 1 . 2]" 1
980 1 51 VAL HA 1 52 GLY H 2.470 . 2.470 2.138 2.111 2.169 . 0 0 "[ . 1 . 2]" 1
981 1 51 VAL HA 1 52 GLY QA 4.400 . 4.400 3.907 3.895 3.924 . 0 0 "[ . 1 . 2]" 1
982 1 51 VAL HB 1 52 GLY H 4.710 . 4.710 4.412 4.361 4.454 . 0 0 "[ . 1 . 2]" 1
983 1 51 VAL QG 1 52 GLY QA 4.690 . 4.690 3.268 3.178 3.328 . 0 0 "[ . 1 . 2]" 1
984 1 51 VAL QG 1 72 ARG H 3.930 . 3.930 4.091 2.910 5.084 1.154 9 6 "[ .* +1 * .**- 2]" 1
985 1 51 VAL QG 1 72 ARG QB 3.540 . 3.540 3.969 2.242 4.823 1.283 17 7 "[ *.* *- * .*+ 2]" 1
986 1 51 VAL QG 1 72 ARG QD 3.730 . 3.730 2.809 1.840 4.446 0.716 17 1 "[ . 1 . + 2]" 1
987 1 51 VAL QG 1 72 ARG QG 3.690 . 3.690 2.497 1.942 3.651 . 0 0 "[ . 1 . 2]" 1
988 1 52 GLY H 1 53 PRO QD 4.890 . 4.890 4.365 4.346 4.383 . 0 0 "[ . 1 . 2]" 1
989 1 52 GLY H 1 72 ARG H 4.640 . 4.640 5.537 4.558 6.393 1.753 12 16 "[****.***** + *****-2]" 1
990 1 52 GLY QA 1 53 PRO HB3 5.500 . 5.500 4.685 4.520 5.064 . 0 0 "[ . 1 . 2]" 1
991 1 52 GLY QA 1 53 PRO QD . . 3.330 2.088 1.963 2.131 . 0 0 "[ . 1 . 2]" 1
992 1 52 GLY QA 1 53 PRO QG 4.880 . 4.880 3.767 3.644 3.816 . 0 0 "[ . 1 . 2]" 1
993 1 52 GLY QA 1 54 LYS H 4.850 . 4.850 3.679 3.286 4.081 . 0 0 "[ . 1 . 2]" 1
994 1 52 GLY QA 1 69 THR MG 5.500 . 5.500 3.921 3.377 4.478 . 0 0 "[ . 1 . 2]" 1
995 1 52 GLY QA 1 71 SER H 5.420 . 5.420 5.432 3.813 6.143 0.723 14 5 "[ .* *1 +.*- 2]" 1
996 1 52 GLY QA 1 71 SER HA 3.870 . 3.870 3.138 2.285 3.734 . 0 0 "[ . 1 . 2]" 1
997 1 52 GLY QA 1 72 ARG H 4.310 . 4.310 3.881 3.024 4.391 0.081 12 0 "[ . 1 . 2]" 1
998 1 53 PRO HA 1 54 LYS H 2.870 . 2.870 2.576 2.383 2.791 . 0 0 "[ . 1 . 2]" 1
999 1 53 PRO HA 1 55 VAL H 4.570 . 4.570 4.855 4.660 5.042 0.472 20 0 "[ . 1 . 2]" 1
1000 1 53 PRO HA 1 69 THR MG 5.180 . 5.180 5.032 4.456 5.766 0.586 10 1 "[ . + . 2]" 1
1001 1 53 PRO HB2 1 55 VAL H 4.220 . 4.220 4.341 4.166 4.516 0.296 19 0 "[ . 1 . 2]" 1
1002 1 53 PRO HB2 1 55 VAL QG 3.580 . 3.580 3.610 3.257 4.094 0.514 15 1 "[ . 1 + 2]" 1
1003 1 53 PRO HB2 1 69 THR MG 4.400 . 4.400 3.678 2.824 4.548 0.148 10 0 "[ . 1 . 2]" 1
1004 1 53 PRO HB3 1 55 VAL H 5.500 . 5.500 5.797 5.573 6.002 0.502 19 1 "[ . 1 . +2]" 1
1005 1 53 PRO QD 1 54 LYS H 4.530 . 4.530 4.071 3.598 4.416 . 0 0 "[ . 1 . 2]" 1
1006 1 53 PRO QD 1 69 THR HB 4.970 . 4.970 4.787 4.014 4.952 . 0 0 "[ . 1 . 2]" 1
1007 1 53 PRO QD 1 69 THR MG 3.500 . 3.500 2.549 2.086 3.007 . 0 0 "[ . 1 . 2]" 1
1008 1 53 PRO QD 1 71 SER H 5.400 . 5.400 5.579 3.732 6.283 0.883 6 6 "[ *+ -*1 *. * 2]" 1
1009 1 53 PRO QD 1 71 SER HA 4.140 . 4.140 4.031 3.547 4.561 0.421 6 0 "[ . 1 . 2]" 1
1010 1 53 PRO QD 1 71 SER QB . . 4.600 4.271 3.141 4.905 0.305 5 0 "[ . 1 . 2]" 1
1011 1 53 PRO QG 1 54 LYS H 4.850 . 4.850 4.536 4.208 4.816 . 0 0 "[ . 1 . 2]" 1
1012 1 53 PRO QG 1 69 THR HB 4.010 . 4.010 4.368 3.722 4.892 0.882 16 8 "[ *- . ** * *+ *]" 1
1013 1 53 PRO QG 1 69 THR MG 3.710 . 3.710 2.021 1.759 2.497 . 0 0 "[ . 1 . 2]" 1
1014 1 53 PRO QG 1 71 SER H 5.500 . 5.500 6.560 5.025 7.158 1.658 14 18 "[*-* ******** +******]" 1
1015 1 53 PRO QG 1 71 SER QB 4.610 . 4.610 5.422 4.716 5.758 1.148 5 15 "[* * +* **- * *******]" 1
1016 1 54 LYS H 1 54 LYS QB . . 2.880 2.764 2.637 2.924 0.044 3 0 "[ . 1 . 2]" 1
1017 1 54 LYS H 1 54 LYS QE 5.280 . 5.280 3.996 3.186 4.282 . 0 0 "[ . 1 . 2]" 1
1018 1 54 LYS H 1 54 LYS QG . . 3.360 1.878 1.589 2.051 . 0 0 "[ . 1 . 2]" 1
1019 1 54 LYS H 1 55 VAL QG 4.140 . 4.140 4.144 3.607 4.413 0.273 7 0 "[ . 1 . 2]" 1
1020 1 54 LYS H 1 71 SER HA 5.500 . 5.500 6.528 5.692 7.278 1.778 8 18 [****.**+******.****-] 1
1021 1 54 LYS HA 1 54 LYS HD3 4.710 . 4.710 4.782 4.457 4.909 0.199 13 0 "[ . 1 . 2]" 1
1022 1 54 LYS HA 1 55 VAL H 3.430 . 3.430 2.255 2.200 2.282 . 0 0 "[ . 1 . 2]" 1
1023 1 54 LYS HA 1 55 VAL HA 5.330 . 5.330 4.229 4.149 4.288 . 0 0 "[ . 1 . 2]" 1
1024 1 54 LYS HA 1 55 VAL QG 4.290 . 4.290 4.008 3.726 4.137 . 0 0 "[ . 1 . 2]" 1
1025 1 54 LYS HA 1 71 SER QB 5.500 . 5.500 4.582 3.979 5.248 . 0 0 "[ . 1 . 2]" 1
1026 1 54 LYS QB 1 54 LYS HD2 3.610 . 3.610 2.422 2.243 2.960 . 0 0 "[ . 1 . 2]" 1
1027 1 54 LYS QB 1 54 LYS HD3 3.710 . 3.710 2.443 2.263 2.533 . 0 0 "[ . 1 . 2]" 1
1028 1 54 LYS QB 1 54 LYS QE 4.180 . 4.180 3.573 3.515 3.669 . 0 0 "[ . 1 . 2]" 1
1029 1 54 LYS QB 1 55 VAL H 4.220 . 4.220 3.778 3.716 3.813 . 0 0 "[ . 1 . 2]" 1
1030 1 54 LYS QE 1 54 LYS QG 3.430 . 3.430 2.172 2.114 2.362 . 0 0 "[ . 1 . 2]" 1
1031 1 54 LYS QG 1 55 VAL H . . 4.590 4.478 4.345 4.837 0.247 14 0 "[ . 1 . 2]" 1
1032 1 54 LYS QG 1 55 VAL QG 4.350 . 4.350 4.393 3.295 4.983 0.633 15 3 "[ - . 1 *+ 2]" 1
1033 1 55 VAL H 1 55 VAL HB 3.740 . 3.740 3.511 3.448 3.866 0.126 13 0 "[ . 1 . 2]" 1
1034 1 55 VAL H 1 55 VAL MG1 4.130 . 4.130 2.604 2.509 3.537 . 0 0 "[ . 1 . 2]" 1
1035 1 55 VAL H 1 55 VAL QG 2.890 . 2.890 2.521 2.410 2.564 . 0 0 "[ . 1 . 2]" 1
1036 1 55 VAL H 1 55 VAL MG2 4.130 . 4.130 3.919 2.452 4.027 . 0 0 "[ . 1 . 2]" 1
1037 1 55 VAL H 1 56 ARG H 4.400 . 4.400 4.070 4.032 4.142 . 0 0 "[ . 1 . 2]" 1
1038 1 55 VAL H 1 56 ARG HA 4.790 . 4.790 4.650 4.554 4.789 . 0 0 "[ . 1 . 2]" 1
1039 1 55 VAL H 1 56 ARG QG 4.940 . 4.940 3.591 3.197 4.021 . 0 0 "[ . 1 . 2]" 1
1040 1 55 VAL H 1 71 SER QB 5.340 . 5.340 6.455 5.742 7.154 1.814 14 19 [******-******+*****2] 1
1041 1 55 VAL HA 1 55 VAL MG1 3.290 . 3.290 3.173 2.268 3.226 . 0 0 "[ . 1 . 2]" 1
1042 1 55 VAL HA 1 55 VAL MG2 3.290 . 3.290 2.429 2.348 3.195 . 0 0 "[ . 1 . 2]" 1
1043 1 55 VAL HA 1 56 ARG H 2.600 . 2.600 2.146 2.099 2.176 . 0 0 "[ . 1 . 2]" 1
1044 1 55 VAL HA 1 56 ARG HA 4.840 . 4.840 4.394 4.373 4.420 . 0 0 "[ . 1 . 2]" 1
1045 1 55 VAL HB 1 56 ARG H 3.130 . 3.130 4.138 3.312 4.214 1.084 2 19 "[*+********-* *******]" 1
1046 1 55 VAL QG 1 56 ARG H 2.940 . 2.940 2.653 2.466 3.482 0.542 13 1 "[ . 1 + . 2]" 1
1047 1 55 VAL QG 1 57 LYS H 4.260 . 4.260 3.708 3.216 4.575 0.315 13 0 "[ . 1 . 2]" 1
1048 1 55 VAL QG 1 57 LYS HA 5.410 . 5.410 4.411 3.805 5.921 0.511 13 1 "[ . 1 + . 2]" 1
1049 1 55 VAL MG1 1 56 ARG H 4.400 . 4.400 3.987 3.723 4.052 . 0 0 "[ . 1 . 2]" 1
1050 1 55 VAL MG1 1 56 ARG HA 5.500 . 5.500 3.975 3.766 5.316 . 0 0 "[ . 1 . 2]" 1
1051 1 55 VAL MG2 1 56 ARG H 4.400 . 4.400 2.722 2.495 4.186 . 0 0 "[ . 1 . 2]" 1
1052 1 55 VAL MG2 1 56 ARG HA 5.500 . 5.500 3.544 3.392 4.182 . 0 0 "[ . 1 . 2]" 1
1053 1 56 ARG H 1 56 ARG QB . . 3.480 2.669 2.553 2.788 . 0 0 "[ . 1 . 2]" 1
1054 1 56 ARG H 1 56 ARG QD . . 4.740 3.955 3.729 4.323 . 0 0 "[ . 1 . 2]" 1
1055 1 56 ARG H 1 56 ARG QG . . 3.640 3.019 2.797 3.250 . 0 0 "[ . 1 . 2]" 1
1056 1 56 ARG H 1 57 LYS H 4.370 . 4.370 4.145 3.761 4.342 . 0 0 "[ . 1 . 2]" 1
1057 1 56 ARG H 1 64 TRP HE3 4.990 . 4.990 5.051 4.689 5.533 0.543 10 1 "[ . + . 2]" 1
1058 1 56 ARG HA 1 56 ARG QG 3.890 . 3.890 2.963 2.827 3.091 . 0 0 "[ . 1 . 2]" 1
1059 1 56 ARG HA 1 57 LYS H 2.900 . 2.900 2.146 2.095 2.191 . 0 0 "[ . 1 . 2]" 1
1060 1 56 ARG HA 1 57 LYS HA 5.000 . 5.000 4.378 4.342 4.408 . 0 0 "[ . 1 . 2]" 1
1061 1 56 ARG HA 1 57 LYS HB2 5.200 . 5.200 4.549 4.301 4.839 . 0 0 "[ . 1 . 2]" 1
1062 1 56 ARG HA 1 57 LYS HB3 5.260 . 5.260 4.652 4.556 4.753 . 0 0 "[ . 1 . 2]" 1
1063 1 56 ARG HA 1 65 THR H 4.020 . 4.020 4.027 3.341 4.880 0.860 10 3 "[ . + . -*2]" 1
1064 1 56 ARG QB 1 57 LYS H 3.490 . 3.490 3.303 2.909 3.637 0.147 13 0 "[ . 1 . 2]" 1
1065 1 56 ARG QB 1 64 TRP HA 5.500 . 5.500 4.481 3.972 5.162 . 0 0 "[ . 1 . 2]" 1
1066 1 56 ARG QB 1 64 TRP QB 4.170 . 4.170 2.349 1.934 3.001 . 0 0 "[ . 1 . 2]" 1
1067 1 56 ARG QB 1 64 TRP HE3 3.630 . 3.630 2.358 2.192 2.765 . 0 0 "[ . 1 . 2]" 1
1068 1 56 ARG QB 1 65 THR H 3.670 . 3.670 3.882 3.179 5.045 1.375 18 4 "[ . 1- .* +*2]" 1
1069 1 56 ARG QD 1 57 LYS H 5.340 . 5.340 3.746 3.497 4.093 . 0 0 "[ . 1 . 2]" 1
1070 1 56 ARG QD 1 64 TRP H 5.340 . 5.340 5.450 4.792 6.542 1.202 10 4 "[ .* + - * 2]" 1
1071 1 56 ARG QD 1 64 TRP QB . . 3.610 2.660 1.919 3.464 . 0 0 "[ . 1 . 2]" 1
1072 1 56 ARG QD 1 64 TRP HE3 4.340 . 4.340 4.242 3.740 4.824 0.484 20 0 "[ . 1 . 2]" 1
1073 1 56 ARG QD 1 65 THR H . . 4.150 3.847 2.861 4.745 0.595 19 2 "[ . 1 . -+2]" 1
1074 1 56 ARG QG 1 57 LYS H 4.910 . 4.910 4.713 4.598 4.843 . 0 0 "[ . 1 . 2]" 1
1075 1 56 ARG QG 1 65 THR H 5.500 . 5.500 5.401 4.603 6.400 0.900 18 2 "[ . 1 . +-2]" 1
1076 1 57 LYS H 1 57 LYS HB2 3.330 . 3.330 2.880 2.672 3.167 . 0 0 "[ . 1 . 2]" 1
1077 1 57 LYS H 1 57 LYS HB3 3.200 . 3.200 2.588 2.425 2.744 . 0 0 "[ . 1 . 2]" 1
1078 1 57 LYS H 1 57 LYS QE 5.090 . 5.090 4.520 4.190 5.888 0.798 18 1 "[ . 1 . + 2]" 1
1079 1 57 LYS H 1 59 LEU QD 4.360 . 4.360 4.815 4.376 5.470 1.110 11 7 "[ .- *+ .****2]" 1
1080 1 57 LYS H 1 64 TRP HA 4.880 . 4.880 4.907 3.777 6.424 1.544 10 3 "[ - . + *. 2]" 1
1081 1 57 LYS H 1 64 TRP HE3 4.240 . 4.240 3.448 2.918 3.992 . 0 0 "[ . 1 . 2]" 1
1082 1 57 LYS H 1 65 THR H 3.220 . 3.220 3.174 2.552 4.603 1.383 10 2 "[ . + - . 2]" 1
1083 1 57 LYS H 1 65 THR HA 4.470 . 4.470 5.128 4.436 6.265 1.795 10 11 "[ ** . +* ****-**2]" 1
1084 1 57 LYS H 1 65 THR HB 3.920 . 3.920 4.387 3.608 5.712 1.792 18 7 "[ - . ** * * +*2]" 1
1085 1 57 LYS H 1 65 THR MG 3.570 . 3.570 3.140 2.256 5.055 1.485 19 3 "[ . 1- . *+2]" 1
1086 1 57 LYS HA 1 57 LYS HD2 4.870 . 4.870 4.577 2.305 4.802 . 0 0 "[ . 1 . 2]" 1
1087 1 57 LYS HA 1 57 LYS HD3 4.870 . 4.870 4.618 2.774 4.929 0.059 13 0 "[ . 1 . 2]" 1
1088 1 57 LYS HA 1 57 LYS QE 4.910 . 4.910 4.047 3.654 4.596 . 0 0 "[ . 1 . 2]" 1
1089 1 57 LYS HA 1 57 LYS QG 3.370 . 3.370 2.459 2.366 2.839 . 0 0 "[ . 1 . 2]" 1
1090 1 57 LYS HA 1 58 CYS H 2.700 . 2.700 2.167 2.123 2.221 . 0 0 "[ . 1 . 2]" 1
1091 1 57 LYS HA 1 58 CYS HA 4.990 . 4.990 4.348 4.254 4.401 . 0 0 "[ . 1 . 2]" 1
1092 1 57 LYS HA 1 58 CYS QB 4.780 . 4.780 4.084 4.006 4.125 . 0 0 "[ . 1 . 2]" 1
1093 1 57 LYS HA 1 64 TRP HE3 4.020 . 4.020 3.387 2.723 3.920 . 0 0 "[ . 1 . 2]" 1
1094 1 57 LYS HA 1 65 THR H 5.180 . 5.180 5.097 4.616 6.124 0.944 10 2 "[ . + - . 2]" 1
1095 1 57 LYS HA 1 65 THR MG 4.960 . 4.960 4.620 3.926 6.028 1.068 19 3 "[ * . 1 . -+2]" 1
1096 1 57 LYS HB2 1 57 LYS QE 3.350 . 3.350 2.202 1.773 3.721 0.371 18 0 "[ . 1 . 2]" 1
1097 1 57 LYS HB2 1 58 CYS H 4.650 . 4.650 4.250 4.052 4.450 . 0 0 "[ . 1 . 2]" 1
1098 1 57 LYS HB2 1 59 LEU QD 4.810 . 4.810 4.849 4.282 5.599 0.789 16 3 "[ . * .+ -]" 1
1099 1 57 LYS HB3 1 57 LYS QE 4.410 . 4.410 2.748 1.960 4.188 . 0 0 "[ . 1 . 2]" 1
1100 1 57 LYS HB3 1 58 CYS H 4.810 . 4.810 4.132 3.950 4.320 . 0 0 "[ . 1 . 2]" 1
1101 1 57 LYS HB3 1 59 LEU QD 3.330 . 3.330 3.589 3.049 4.250 0.920 16 3 "[ . * .+ -]" 1
1102 1 57 LYS HB3 1 65 THR H 5.120 . 5.120 4.309 3.284 6.061 0.941 10 1 "[ . + . 2]" 1
1103 1 57 LYS QD 1 59 LEU QD 4.110 . 4.110 3.496 2.233 5.174 1.064 10 1 "[ . + . 2]" 1
1104 1 57 LYS QE 1 57 LYS QG 3.240 . 3.240 2.431 2.126 2.809 . 0 0 "[ . 1 . 2]" 1
1105 1 57 LYS QE 1 59 LEU QD 4.420 . 4.420 4.308 2.636 5.704 1.284 16 6 "[ *. * 1 -*.+ *]" 1
1106 1 57 LYS QE 1 65 THR MG 4.230 . 4.230 4.132 2.758 6.048 1.818 18 5 "[ * . 1* - . +*2]" 1
1107 1 57 LYS QG 1 58 CYS H 3.330 . 3.330 2.774 2.359 3.304 . 0 0 "[ . 1 . 2]" 1
1108 1 57 LYS QG 1 59 LEU QD 4.370 . 4.370 3.164 2.196 4.044 . 0 0 "[ . 1 . 2]" 1
1109 1 58 CYS H 1 58 CYS QB . . 2.970 2.280 2.239 2.346 . 0 0 "[ . 1 . 2]" 1
1110 1 58 CYS H 1 59 LEU HA 5.490 . 5.490 5.359 5.074 5.491 0.001 10 0 "[ . 1 . 2]" 1
1111 1 58 CYS H 1 64 TRP HE3 3.900 . 3.900 3.326 2.979 3.972 0.072 10 0 "[ . 1 . 2]" 1
1112 1 58 CYS H 1 64 TRP HH2 4.800 . 4.800 4.787 4.320 5.211 0.411 11 0 "[ . 1 . 2]" 1
1113 1 58 CYS HA 1 59 LEU H 3.200 . 3.200 2.191 2.122 2.273 . 0 0 "[ . 1 . 2]" 1
1114 1 58 CYS HA 1 59 LEU QD 4.460 . 4.460 4.123 3.993 4.265 . 0 0 "[ . 1 . 2]" 1
1115 1 58 CYS HA 1 64 TRP HA 3.610 . 3.610 2.785 2.271 3.492 . 0 0 "[ . 1 . 2]" 1
1116 1 58 CYS HA 1 64 TRP HE3 4.190 . 4.190 3.135 2.769 3.684 . 0 0 "[ . 1 . 2]" 1
1117 1 58 CYS HA 1 65 THR H 4.580 . 4.580 4.087 3.555 4.918 0.338 13 0 "[ . 1 . 2]" 1
1118 1 58 CYS QB 1 59 LEU H 5.100 . 5.100 3.617 3.448 3.875 . 0 0 "[ . 1 . 2]" 1
1119 1 58 CYS QB 1 64 TRP HE3 . . 4.460 3.535 3.181 3.933 . 0 0 "[ . 1 . 2]" 1
1120 1 58 CYS QB 1 64 TRP HH2 5.040 . 5.040 3.370 3.108 3.763 . 0 0 "[ . 1 . 2]" 1
1121 1 59 LEU H 1 59 LEU QD 3.750 . 3.750 3.341 3.070 3.535 . 0 0 "[ . 1 . 2]" 1
1122 1 59 LEU H 1 59 LEU HG 3.900 . 3.900 2.805 2.566 3.109 . 0 0 "[ . 1 . 2]" 1
1123 1 59 LEU H 1 60 ALA H 4.760 . 4.760 4.444 4.393 4.500 . 0 0 "[ . 1 . 2]" 1
1124 1 59 LEU H 1 61 ASN H 4.540 . 4.540 4.053 3.635 4.510 . 0 0 "[ . 1 . 2]" 1
1125 1 59 LEU H 1 63 SER H 4.810 . 4.810 4.341 3.670 6.396 1.586 10 3 "[ . * + -. 2]" 1
1126 1 59 LEU H 1 64 TRP HA 3.960 . 3.960 3.413 2.954 4.247 0.287 11 0 "[ . 1 . 2]" 1
1127 1 59 LEU HA 1 59 LEU QD . . 2.830 2.017 1.901 2.078 . 0 0 "[ . 1 . 2]" 1
1128 1 59 LEU HA 1 59 LEU HG 3.830 . 3.830 3.148 3.016 3.353 . 0 0 "[ . 1 . 2]" 1
1129 1 59 LEU HA 1 60 ALA H 2.590 . 2.590 2.613 2.581 2.659 0.069 10 0 "[ . 1 . 2]" 1
1130 1 59 LEU HA 1 60 ALA HA 4.710 . 4.710 4.343 4.304 4.416 . 0 0 "[ . 1 . 2]" 1
1131 1 59 LEU HA 1 60 ALA MB 4.360 . 4.360 4.211 4.151 4.341 . 0 0 "[ . 1 . 2]" 1
1132 1 59 LEU QB 1 59 LEU QD . . 2.840 1.950 1.939 1.968 . 0 0 "[ . 1 . 2]" 1
1133 1 59 LEU QB 1 60 ALA H . . 3.340 2.035 1.939 2.098 . 0 0 "[ . 1 . 2]" 1
1134 1 59 LEU QB 1 60 ALA MB 4.660 . 4.660 3.646 3.395 3.738 . 0 0 "[ . 1 . 2]" 1
1135 1 59 LEU QB 1 61 ASN H . . 4.250 2.658 2.256 3.568 . 0 0 "[ . 1 . 2]" 1
1136 1 59 LEU QB 1 61 ASN HB2 5.190 . 5.190 4.775 4.041 5.243 0.053 17 0 "[ . 1 . 2]" 1
1137 1 59 LEU QB 1 61 ASN HB3 5.500 . 5.500 4.207 2.540 4.472 . 0 0 "[ . 1 . 2]" 1
1138 1 59 LEU QB 1 61 ASN QD 4.720 . 4.720 3.329 2.658 5.028 0.308 20 0 "[ . 1 . 2]" 1
1139 1 59 LEU QB 1 63 SER QB 5.340 . 5.340 4.867 3.680 5.769 0.429 5 0 "[ . 1 . 2]" 1
1140 1 59 LEU QD 1 60 ALA H . . 3.950 3.269 3.092 3.414 . 0 0 "[ . 1 . 2]" 1
1141 1 59 LEU QD 1 61 ASN QD . . 3.860 3.160 2.273 4.991 1.131 20 1 "[ . 1 . +]" 1
1142 1 59 LEU QD 1 63 SER QB 3.870 . 3.870 4.382 2.995 5.658 1.788 17 10 "[ * ** - ** * +**2]" 1
1143 1 59 LEU QD 1 64 TRP H 5.040 . 5.040 5.372 4.281 6.904 1.864 11 8 "[ * -* 1+ * ***2]" 1
1144 1 59 LEU QD 1 64 TRP HA 4.740 . 4.740 4.066 3.219 5.406 0.666 11 1 "[ . 1+ . 2]" 1
1145 1 59 LEU QD 1 65 THR H . . 3.960 3.800 3.265 4.669 0.709 11 1 "[ . 1+ . 2]" 1
1146 1 59 LEU QD 1 65 THR HA . . 3.220 2.671 1.866 4.628 1.408 19 3 "[ . 1- . *+2]" 1
1147 1 59 LEU QD 1 65 THR HB . . 4.620 3.906 3.383 4.630 0.010 2 0 "[ . 1 . 2]" 1
1148 1 59 LEU QD 1 65 THR MG . . 2.570 2.055 1.769 2.651 0.081 2 0 "[ . 1 . 2]" 1
1149 1 59 LEU QD 1 66 ASP H 3.990 . 3.990 5.227 4.587 6.474 2.484 11 20 [******-***+*********] 1
1150 1 59 LEU HG 1 63 SER H 5.500 . 5.500 5.812 4.920 7.319 1.819 10 6 "[ * . + *- * *2]" 1
1151 1 59 LEU HG 1 64 TRP HA 4.370 . 4.370 3.741 2.722 5.307 0.937 11 2 "[ . 1+ . -2]" 1
1152 1 59 LEU HG 1 65 THR H 3.940 . 3.940 3.734 3.260 4.442 0.502 11 1 "[ . 1+ . 2]" 1
1153 1 60 ALA H 1 60 ALA MB 2.400 . 2.400 2.257 2.232 2.274 . 0 0 "[ . 1 . 2]" 1
1154 1 60 ALA H 1 61 ASN H 3.960 . 3.960 2.829 2.409 3.548 . 0 0 "[ . 1 . 2]" 1
1155 1 60 ALA HA 1 61 ASN H 3.390 . 3.390 3.111 2.549 3.520 0.130 11 0 "[ . 1 . 2]" 1
1156 1 60 ALA MB 1 61 ASN H 3.710 . 3.710 3.288 2.633 3.709 . 0 0 "[ . 1 . 2]" 1
1157 1 60 ALA MB 1 61 ASN HA 4.460 . 4.460 4.213 3.976 4.412 . 0 0 "[ . 1 . 2]" 1
1158 1 60 ALA MB 1 61 ASN HB3 4.900 . 4.900 4.181 3.903 4.426 . 0 0 "[ . 1 . 2]" 1
1159 1 61 ASN H 1 61 ASN HB2 4.090 . 4.090 3.792 3.624 4.009 . 0 0 "[ . 1 . 2]" 1
1160 1 61 ASN H 1 61 ASN HB3 3.810 . 3.810 3.120 2.696 3.535 . 0 0 "[ . 1 . 2]" 1
1161 1 61 ASN H 1 62 GLY HA2 4.860 . 4.860 5.010 4.551 5.399 0.539 6 1 "[ .+ 1 . 2]" 1
1162 1 61 ASN H 1 63 SER H 4.530 . 4.530 4.249 3.792 5.096 0.566 10 1 "[ . + . 2]" 1
1163 1 61 ASN HA 1 61 ASN QD . . 4.360 3.902 2.858 4.008 . 0 0 "[ . 1 . 2]" 1
1164 1 61 ASN HA 1 62 GLY H 3.570 . 3.570 2.465 2.191 2.688 . 0 0 "[ . 1 . 2]" 1
1165 1 61 ASN HA 1 63 SER H 5.110 . 5.110 4.507 4.306 4.701 . 0 0 "[ . 1 . 2]" 1
1166 1 61 ASN HB2 1 62 GLY H 4.470 . 4.470 2.499 2.127 3.660 . 0 0 "[ . 1 . 2]" 1
1167 1 61 ASN HB2 1 63 SER H 4.480 . 4.480 4.017 3.127 4.968 0.488 20 0 "[ . 1 . 2]" 1
1168 1 61 ASN HB2 1 63 SER QB 5.340 . 5.340 4.492 4.019 5.616 0.276 7 0 "[ . 1 . 2]" 1
1169 1 61 ASN HB3 1 62 GLY H 4.460 . 4.460 3.792 3.643 4.084 . 0 0 "[ . 1 . 2]" 1
1170 1 61 ASN HB3 1 63 SER H 5.500 . 5.500 4.994 3.953 5.410 . 0 0 "[ . 1 . 2]" 1
1171 1 61 ASN QD 1 63 SER H 4.620 . 4.620 2.636 1.725 4.286 . 0 0 "[ . 1 . 2]" 1
1172 1 61 ASN QD 1 63 SER HA 5.240 . 5.240 4.186 3.805 5.591 0.351 20 0 "[ . 1 . 2]" 1
1173 1 61 ASN QD 1 63 SER QB . . 4.020 2.267 1.797 3.729 . 0 0 "[ . 1 . 2]" 1
1174 1 62 GLY HA2 1 63 SER H 3.550 . 3.550 2.795 2.517 3.515 . 0 0 "[ . 1 . 2]" 1
1175 1 63 SER H 1 63 SER QB 3.690 . 3.690 2.892 2.392 3.320 . 0 0 "[ . 1 . 2]" 1
1176 1 63 SER H 1 64 TRP H 4.400 . 4.400 4.320 4.155 4.560 0.160 7 0 "[ . 1 . 2]" 1
1177 1 63 SER HA 1 64 TRP H 2.670 . 2.670 2.320 2.189 2.504 . 0 0 "[ . 1 . 2]" 1
1178 1 63 SER HA 1 64 TRP HA 5.490 . 5.490 4.334 4.298 4.414 . 0 0 "[ . 1 . 2]" 1
1179 1 63 SER HA 1 64 TRP QB 4.910 . 4.910 4.515 4.436 4.597 . 0 0 "[ . 1 . 2]" 1
1180 1 63 SER HA 1 64 TRP HD1 4.240 . 4.240 3.427 2.865 3.931 . 0 0 "[ . 1 . 2]" 1
1181 1 63 SER HA 1 67 MET ME 4.980 . 4.980 4.191 2.175 6.028 1.048 7 7 "[- . + ** * * * 2]" 1
1182 1 63 SER QB 1 64 TRP H 3.340 . 3.340 2.882 2.389 3.455 0.115 6 0 "[ . 1 . 2]" 1
1183 1 63 SER QB 1 64 TRP HA 5.320 . 5.320 4.505 4.323 4.731 . 0 0 "[ . 1 . 2]" 1
1184 1 63 SER QB 1 64 TRP QB 5.340 . 5.340 4.628 4.335 5.116 . 0 0 "[ . 1 . 2]" 1
1185 1 63 SER QB 1 67 MET QB 4.700 . 4.700 4.803 3.878 5.725 1.025 3 6 "[ +*.* *1 * . - 2]" 1
1186 1 63 SER QB 1 67 MET ME 4.760 . 4.760 4.305 2.042 6.071 1.311 12 9 "[* . * **+* - * *]" 1
1187 1 63 SER QB 1 67 MET QG 5.010 . 5.010 4.807 3.200 5.698 0.688 18 4 "[ . * 1* - + 2]" 1
1188 1 64 TRP H 1 64 TRP QB 2.900 . 2.900 2.451 2.394 2.568 . 0 0 "[ . 1 . 2]" 1
1189 1 64 TRP H 1 64 TRP HD1 3.280 . 3.280 2.373 2.165 2.752 . 0 0 "[ . 1 . 2]" 1
1190 1 64 TRP H 1 64 TRP HE1 5.020 . 5.020 4.640 4.268 4.866 . 0 0 "[ . 1 . 2]" 1
1191 1 64 TRP H 1 64 TRP HE3 5.500 . 5.500 5.380 4.977 5.674 0.174 12 0 "[ . 1 . 2]" 1
1192 1 64 TRP H 1 65 THR H 4.610 . 4.610 4.525 4.441 4.590 . 0 0 "[ . 1 . 2]" 1
1193 1 64 TRP H 1 67 MET QB 4.100 . 4.100 4.313 2.884 5.542 1.442 3 10 "[ *+*.* *1 *.** -*]" 1
1194 1 64 TRP H 1 67 MET ME 4.020 . 4.020 3.448 1.543 5.536 1.516 13 6 "[* . * 1- + * * 2]" 1
1195 1 64 TRP H 1 67 MET QG . . 3.930 3.900 2.855 5.348 1.418 13 6 "[ . *- 1* + * * 2]" 1
1196 1 64 TRP HA 1 64 TRP HD1 5.000 . 5.000 4.074 3.809 4.390 . 0 0 "[ . 1 . 2]" 1
1197 1 64 TRP HA 1 64 TRP HE3 3.780 . 3.780 3.397 2.869 3.812 0.032 12 0 "[ . 1 . 2]" 1
1198 1 64 TRP HA 1 65 THR H 2.830 . 2.830 2.506 2.187 2.639 . 0 0 "[ . 1 . 2]" 1
1199 1 64 TRP HA 1 65 THR HA 4.650 . 4.650 4.263 4.214 4.294 . 0 0 "[ . 1 . 2]" 1
1200 1 64 TRP HA 1 65 THR MG 4.330 . 4.330 4.123 3.638 5.476 1.146 2 1 "[ + . 1 . 2]" 1
1201 1 64 TRP QB 1 64 TRP HD1 3.390 . 3.390 2.683 2.569 2.801 . 0 0 "[ . 1 . 2]" 1
1202 1 64 TRP QB 1 65 THR H 3.560 . 3.560 2.323 2.014 3.204 . 0 0 "[ . 1 . 2]" 1
1203 1 64 TRP QB 1 65 THR MG 5.500 . 5.500 4.296 3.910 4.936 . 0 0 "[ . 1 . 2]" 1
1204 1 64 TRP QB 1 67 MET H 4.860 . 4.860 4.593 3.349 5.600 0.740 14 3 "[ -. 1 +.* 2]" 1
1205 1 64 TRP QB 1 67 MET ME 4.180 . 4.180 3.488 1.904 5.133 0.953 13 6 "[* . * 1- + * * 2]" 1
1206 1 64 TRP QB 1 67 MET QG . . 4.270 3.152 1.901 5.175 0.905 13 1 "[ . 1 + . 2]" 1
1207 1 64 TRP HD1 1 65 THR H 5.480 . 5.480 5.701 5.507 6.162 0.682 11 3 "[ . 1+ . *-2]" 1
1208 1 64 TRP HD1 1 67 MET ME 3.730 . 3.730 3.009 1.756 4.262 0.532 7 1 "[ . + 1 . 2]" 1
1209 1 64 TRP HE1 1 67 MET ME 5.350 . 5.350 4.333 3.297 5.480 0.130 2 0 "[ . 1 . 2]" 1
1210 1 64 TRP HE3 1 65 THR H 3.660 . 3.660 3.633 3.287 4.369 0.709 18 2 "[ . 1 . +-2]" 1
1211 1 65 THR H 1 65 THR HB 3.790 . 3.790 3.518 2.794 3.597 . 0 0 "[ . 1 . 2]" 1
1212 1 65 THR H 1 65 THR MG 2.790 . 2.790 2.548 2.292 3.675 0.885 2 1 "[ + . 1 . 2]" 1
1213 1 65 THR H 1 66 ASP H 4.480 . 4.480 2.989 2.638 3.330 . 0 0 "[ . 1 . 2]" 1
1214 1 65 THR H 1 66 ASP QB 5.340 . 5.340 5.025 4.468 5.404 0.064 6 0 "[ . 1 . 2]" 1
1215 1 65 THR H 1 67 MET H 5.150 . 5.150 6.029 4.558 6.866 1.716 16 14 "[****.* ** ***-+* *]" 1
1216 1 65 THR H 1 67 MET QG 5.340 . 5.340 5.794 4.503 7.952 2.612 13 7 "[* . -* 1* + * * 2]" 1
1217 1 65 THR HA 1 65 THR MG 3.110 . 3.110 2.217 2.178 2.296 . 0 0 "[ . 1 . 2]" 1
1218 1 65 THR HA 1 66 ASP H 2.580 . 2.580 3.466 2.937 3.575 0.995 8 18 "[*******+**-****** *]" 1
1219 1 65 THR HB 1 66 ASP H 3.820 . 3.820 3.328 2.319 4.398 0.578 19 2 "[ . 1 . -+2]" 1
1220 1 65 THR MG 1 66 ASP H 3.940 . 3.940 4.054 3.586 4.447 0.507 19 2 "[ . 1- . +2]" 1
1221 1 66 ASP H 1 66 ASP HA 2.610 . 2.610 2.915 2.872 2.954 0.344 1 0 "[ . 1 . 2]" 1
1222 1 66 ASP H 1 66 ASP QB . . 3.390 2.717 2.464 2.897 . 0 0 "[ . 1 . 2]" 1
1223 1 66 ASP H 1 67 MET H 3.550 . 3.550 3.703 1.842 4.347 0.797 16 12 "[ ***.* ** ***.+- *]" 1
1224 1 66 ASP H 1 67 MET QB 4.350 . 4.350 4.779 3.241 5.536 1.186 9 11 "[ ***.* +* - *.** *]" 1
1225 1 66 ASP H 1 68 ASP H 5.320 . 5.320 5.488 5.008 5.994 0.674 16 4 "[ .* 1 *.+ -]" 1
1226 1 66 ASP QB 1 67 MET H 3.230 . 3.230 3.825 3.466 4.091 0.861 5 14 "[**- + ****** * ***2]" 1
1227 1 66 ASP QB 1 68 ASP H 4.580 . 4.580 4.008 3.394 4.479 . 0 0 "[ . 1 . 2]" 1
1228 1 66 ASP QB 1 69 THR H 4.560 . 4.560 6.541 5.887 6.957 2.397 19 20 [************-*****+*] 1
1229 1 66 ASP QB 1 69 THR HB 4.270 . 4.270 5.725 4.986 6.194 1.924 13 20 [*********-**+*******] 1
1230 1 66 ASP QB 1 69 THR MG . . 4.240 4.867 4.606 5.220 0.980 6 16 "[ ***-+**** * *.*****]" 1
1231 1 67 MET H 1 67 MET QB 3.250 . 3.250 2.538 2.221 2.785 . 0 0 "[ . 1 . 2]" 1
1232 1 67 MET H 1 67 MET QG 3.830 . 3.830 3.336 1.964 4.172 0.342 13 0 "[ . 1 . 2]" 1
1233 1 67 MET H 1 68 ASP H 2.760 . 2.760 3.456 3.172 3.816 1.056 19 15 "[* - ********* * **+2]" 1
1234 1 67 MET HA 1 67 MET ME 4.660 . 4.660 4.484 3.766 5.434 0.774 5 1 "[ + 1 . 2]" 1
1235 1 67 MET HA 1 67 MET QG 3.610 . 3.610 2.609 2.346 3.353 . 0 0 "[ . 1 . 2]" 1
1236 1 67 MET HA 1 68 ASP H 3.550 . 3.550 2.415 2.331 2.519 . 0 0 "[ . 1 . 2]" 1
1237 1 67 MET QB 1 68 ASP H 4.070 . 4.070 3.921 3.851 4.040 . 0 0 "[ . 1 . 2]" 1
1238 1 67 MET ME 1 67 MET QG 3.280 . 3.280 2.269 2.202 2.477 . 0 0 "[ . 1 . 2]" 1
1239 1 68 ASP H 1 68 ASP HB2 3.760 . 3.760 3.486 3.412 3.583 . 0 0 "[ . 1 . 2]" 1
1240 1 68 ASP H 1 68 ASP QB 3.000 . 3.000 2.944 2.906 2.986 . 0 0 "[ . 1 . 2]" 1
1241 1 68 ASP H 1 68 ASP HB3 3.760 . 3.760 3.176 3.121 3.240 . 0 0 "[ . 1 . 2]" 1
1242 1 68 ASP H 1 69 THR H 3.450 . 3.450 3.376 3.319 3.529 0.079 1 0 "[ . 1 . 2]" 1
1243 1 68 ASP H 1 69 THR HA 5.060 . 5.060 4.440 3.997 4.737 . 0 0 "[ . 1 . 2]" 1
1244 1 68 ASP H 1 69 THR HB 4.920 . 4.920 4.392 3.842 5.020 0.100 13 0 "[ . 1 . 2]" 1
1245 1 68 ASP H 1 69 THR MG 5.170 . 5.170 4.664 4.432 5.099 . 0 0 "[ . 1 . 2]" 1
1246 1 68 ASP HA 1 68 ASP QB 2.630 . 2.630 2.400 2.360 2.430 . 0 0 "[ . 1 . 2]" 1
1247 1 68 ASP HA 1 69 THR H 3.460 . 3.460 2.254 2.216 2.299 . 0 0 "[ . 1 . 2]" 1
1248 1 68 ASP HA 1 69 THR HB 5.430 . 5.430 5.024 4.816 5.153 . 0 0 "[ . 1 . 2]" 1
1249 1 68 ASP QB 1 69 THR H 4.190 . 4.190 4.022 3.995 4.045 . 0 0 "[ . 1 . 2]" 1
1250 1 69 THR H 1 69 THR HB 3.440 . 3.440 3.064 2.754 3.274 . 0 0 "[ . 1 . 2]" 1
1251 1 69 THR H 1 69 THR MG 4.110 . 4.110 4.011 3.875 4.048 . 0 0 "[ . 1 . 2]" 1
1252 1 69 THR H 1 70 PRO QB 5.060 . 5.060 5.477 5.090 5.931 0.871 11 10 "[ * *. *- 1+ * . ****]" 1
1253 1 69 THR H 1 70 PRO QD 4.190 . 4.190 3.706 3.029 4.048 . 0 0 "[ . 1 . 2]" 1
1254 1 69 THR HA 1 69 THR MG 3.150 . 3.150 2.269 2.189 2.412 . 0 0 "[ . 1 . 2]" 1
1255 1 69 THR HA 1 70 PRO QD 2.860 . 2.860 1.891 1.722 2.098 . 0 0 "[ . 1 . 2]" 1
1256 1 69 THR HA 1 70 PRO HG2 4.210 . 4.210 4.329 4.121 4.549 0.339 16 0 "[ . 1 . 2]" 1
1257 1 69 THR HA 1 70 PRO HG3 4.730 . 4.730 4.235 3.908 4.481 . 0 0 "[ . 1 . 2]" 1
1258 1 69 THR HB 1 70 PRO QD 4.930 . 4.930 4.159 3.836 4.330 . 0 0 "[ . 1 . 2]" 1
1259 1 69 THR MG 1 70 PRO HA 4.980 . 4.980 4.503 4.062 4.808 . 0 0 "[ . 1 . 2]" 1
1260 1 69 THR MG 1 70 PRO QD 3.420 . 3.420 2.746 2.168 3.390 . 0 0 "[ . 1 . 2]" 1
1261 1 69 THR MG 1 70 PRO HG3 5.500 . 5.500 5.047 4.435 5.603 0.103 16 0 "[ . 1 . 2]" 1
1262 1 69 THR MG 1 71 SER HA 4.930 . 4.930 3.939 3.019 4.339 . 0 0 "[ . 1 . 2]" 1
1263 1 70 PRO HA 1 71 SER H 2.800 . 2.800 2.326 2.162 2.825 0.025 13 0 "[ . 1 . 2]" 1
1264 1 70 PRO HA 1 71 SER HA 5.050 . 5.050 4.489 4.399 4.673 . 0 0 "[ . 1 . 2]" 1
1265 1 70 PRO QB 1 71 SER H . . 3.920 3.760 3.412 3.981 0.061 13 0 "[ . 1 . 2]" 1
1266 1 70 PRO QB 1 71 SER HA 5.440 . 5.440 4.517 4.183 4.735 . 0 0 "[ . 1 . 2]" 1
1267 1 70 PRO QD 1 71 SER H 5.500 . 5.500 4.496 3.407 4.894 . 0 0 "[ . 1 . 2]" 1
1268 1 71 SER H 1 71 SER QB . . 3.110 2.696 2.261 3.175 0.065 11 0 "[ . 1 . 2]" 1
1269 1 71 SER H 1 72 ARG H 4.610 . 4.610 4.376 4.173 4.557 . 0 0 "[ . 1 . 2]" 1
1270 1 71 SER HA 1 72 ARG H 2.670 . 2.670 2.156 2.108 2.245 . 0 0 "[ . 1 . 2]" 1
1271 1 71 SER HA 1 72 ARG QG 4.650 . 4.650 3.687 3.203 4.201 . 0 0 "[ . 1 . 2]" 1
1272 1 71 SER QB 1 72 ARG H . . 3.350 3.445 2.827 3.840 0.490 16 0 "[ . 1 . 2]" 1
1273 1 72 ARG H 1 72 ARG QB . . 3.430 2.760 2.505 3.121 . 0 0 "[ . 1 . 2]" 1
1274 1 72 ARG H 1 72 ARG QD 5.300 . 5.300 3.982 3.398 4.408 . 0 0 "[ . 1 . 2]" 1
1275 1 72 ARG H 1 72 ARG QG 3.230 . 3.230 1.981 1.713 2.322 . 0 0 "[ . 1 . 2]" 1
1276 1 72 ARG H 1 73 CYS H 4.720 . 4.720 4.445 4.152 4.550 . 0 0 "[ . 1 . 2]" 1
1277 1 72 ARG HA 1 73 CYS H 3.090 . 3.090 2.161 2.090 2.299 . 0 0 "[ . 1 . 2]" 1
1278 1 72 ARG QB 1 73 CYS H 3.770 . 3.770 3.166 2.759 3.652 . 0 0 "[ . 1 . 2]" 1
1279 1 72 ARG QB 1 74 VAL QG 3.230 . 3.230 3.140 2.380 4.230 1.000 13 4 "[ - *. 1 + . *]" 1
1280 1 72 ARG QD 1 74 VAL QG 3.480 . 3.480 2.927 2.192 3.885 0.405 5 0 "[ . 1 . 2]" 1
1281 1 72 ARG QG 1 73 CYS H 4.820 . 4.820 4.169 3.477 4.518 . 0 0 "[ . 1 . 2]" 1
1282 1 72 ARG QG 1 74 VAL H 5.500 . 5.500 4.325 3.300 6.437 0.937 5 1 "[ + 1 . 2]" 1
1283 1 73 CYS H 1 73 CYS HB2 4.000 . 4.000 2.821 2.454 3.635 . 0 0 "[ . 1 . 2]" 1
1284 1 73 CYS H 1 73 CYS QB 3.340 . 3.340 2.550 2.242 3.012 . 0 0 "[ . 1 . 2]" 1
1285 1 73 CYS H 1 73 CYS HB3 4.000 . 4.000 3.182 2.438 3.642 . 0 0 "[ . 1 . 2]" 1
1286 1 73 CYS H 1 74 VAL H 5.120 . 5.120 4.291 4.122 4.498 . 0 0 "[ . 1 . 2]" 1
1287 1 73 CYS H 1 74 VAL HB 5.500 . 5.500 5.347 4.670 6.321 0.821 10 4 "[ . + * *-2]" 1
1288 1 73 CYS H 1 74 VAL QG 4.930 . 4.930 4.225 3.657 4.917 . 0 0 "[ . 1 . 2]" 1
1289 1 73 CYS HA 1 74 VAL H 2.740 . 2.740 2.147 2.107 2.207 . 0 0 "[ . 1 . 2]" 1
1290 1 73 CYS HA 1 74 VAL HB 5.010 . 5.010 4.691 4.477 4.891 . 0 0 "[ . 1 . 2]" 1
1291 1 73 CYS QB 1 74 VAL H 3.680 . 3.680 3.625 3.268 3.972 0.292 7 0 "[ . 1 . 2]" 1
1292 1 73 CYS HB2 1 74 VAL H 4.500 . 4.500 4.223 3.434 4.492 . 0 0 "[ . 1 . 2]" 1
1293 1 73 CYS HB3 1 74 VAL H 4.500 . 4.500 4.025 3.403 4.429 . 0 0 "[ . 1 . 2]" 1
1294 1 74 VAL H 1 74 VAL HB 3.670 . 3.670 3.124 2.743 3.539 . 0 0 "[ . 1 . 2]" 1
1295 1 74 VAL H 1 74 VAL MG1 4.150 . 4.150 3.027 2.068 3.933 . 0 0 "[ . 1 . 2]" 1
1296 1 74 VAL H 1 74 VAL QG 3.190 . 3.190 2.574 2.060 2.893 . 0 0 "[ . 1 . 2]" 1
1297 1 74 VAL H 1 74 VAL MG2 4.150 . 4.150 3.539 2.671 4.096 . 0 0 "[ . 1 . 2]" 1
1298 1 74 VAL H 1 75 ARG H 4.250 . 4.250 3.990 2.070 4.479 0.229 2 0 "[ . 1 . 2]" 1
1299 1 74 VAL HA 1 74 VAL MG1 3.250 . 3.250 2.889 2.318 3.225 . 0 0 "[ . 1 . 2]" 1
1300 1 74 VAL HA 1 74 VAL MG2 3.250 . 3.250 2.389 2.297 2.503 . 0 0 "[ . 1 . 2]" 1
1301 1 74 VAL HA 1 75 ARG H 2.850 . 2.850 2.307 2.117 3.474 0.624 10 1 "[ . + . 2]" 1
1302 1 74 VAL HB 1 75 ARG H 4.330 . 4.330 4.058 1.609 4.432 0.102 18 0 "[ . 1 . 2]" 1
1303 1 74 VAL QG 1 75 ARG H 3.320 . 3.320 2.613 2.056 3.398 0.078 18 0 "[ . 1 . 2]" 1
1304 1 74 VAL QG 1 75 ARG HA 4.050 . 4.050 3.444 3.027 4.109 0.059 10 0 "[ . 1 . 2]" 1
1305 1 74 VAL QG 1 75 ARG QB 4.130 . 4.130 3.972 2.801 4.468 0.338 16 0 "[ . 1 . 2]" 1
1306 1 74 VAL QG 1 75 ARG QD 5.240 . 5.240 5.193 4.257 5.759 0.519 19 1 "[ . 1 . +2]" 1
1307 1 74 VAL MG1 1 75 ARG H 4.010 . 4.010 3.434 2.410 4.158 0.148 12 0 "[ . 1 . 2]" 1
1308 1 74 VAL MG2 1 75 ARG H 4.010 . 4.010 3.162 2.070 4.283 0.273 18 0 "[ . 1 . 2]" 1
1309 1 75 ARG H 1 75 ARG HB2 4.040 . 4.040 3.261 2.335 3.982 . 0 0 "[ . 1 . 2]" 1
1310 1 75 ARG H 1 75 ARG QB 3.480 . 3.480 2.815 2.282 3.312 . 0 0 "[ . 1 . 2]" 1
1311 1 75 ARG H 1 75 ARG HB3 4.040 . 4.040 3.204 2.548 3.716 . 0 0 "[ . 1 . 2]" 1
1312 1 75 ARG H 1 75 ARG QG 4.130 . 4.130 3.424 1.566 4.414 0.284 18 0 "[ . 1 . 2]" 1
1313 1 75 ARG QB 1 75 ARG QD 3.120 . 3.120 2.320 2.090 2.853 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 4:51:41 AM GMT (wattos1)