NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385038 |
1kun   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kun
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 601
_Distance_constraint_stats_list.Viol_count 3083
_Distance_constraint_stats_list.Viol_total 21117.217
_Distance_constraint_stats_list.Viol_max 2.896
_Distance_constraint_stats_list.Viol_rms 0.2807
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0878
_Distance_constraint_stats_list.Viol_average_violations_only 0.3425
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 17.696 0.734 20 15 "[****. * **-* *.****+]"
1 2 THR 34.499 0.935 11 19 [****.*****+*********]
1 3 ASP 5.397 0.935 11 3 "[ .* -1+ . 2]"
1 4 ILE 28.017 0.833 12 20 [******-****+********]
1 5 CYS 6.907 0.748 19 5 "[* . ** 1 - +2]"
1 6 LYS 3.109 0.474 10 0 "[ . 1 . 2]"
1 7 LEU 6.516 0.756 16 1 "[ . 1 .+ 2]"
1 8 PRO 10.019 1.570 18 8 "[ . * 1* *** -+ *]"
1 9 LYS 12.966 0.763 11 3 "[- * . 1+ . 2]"
1 10 ASP 3.657 0.257 18 0 "[ . 1 . 2]"
1 11 GLU 103.796 2.896 7 20 [******+*-***********]
1 12 GLY 8.754 0.706 17 5 "[ *** -1 . + 2]"
1 15 ARG 1.280 0.292 2 0 "[ . 1 . 2]"
1 16 ASP 1.361 0.102 14 0 "[ . 1 . 2]"
1 17 PHE 25.746 2.224 8 15 "[** ****+*- ***** * 2]"
1 18 ILE 70.616 2.375 2 20 [*+*************-****]
1 19 LEU 103.511 1.798 7 20 [******+-************]
1 20 LYS 31.766 1.710 15 17 "[*** ****** ***+-***2]"
1 21 TRP 50.998 1.371 13 20 [************+**-****]
1 22 TYR 166.589 2.728 4 20 [**-+****************]
1 23 TYR 163.278 2.374 2 20 [*+************-*****]
1 24 ASP 4.090 0.316 1 0 "[ . 1 . 2]"
1 25 PRO 67.853 2.007 3 19 "[**+***********- ****]"
1 26 ASN 0.994 0.216 17 0 "[ . 1 . 2]"
1 27 THR 7.511 0.550 9 2 "[ - +1 . 2]"
1 28 LYS 4.484 0.604 4 1 "[ +. 1 . 2]"
1 29 SER 35.674 1.214 14 20 [***********-*+******]
1 30 CYS 24.874 0.775 13 10 "[* *** *1 + * *-*2]"
1 31 ALA 67.425 2.728 4 20 [***+**********-*****]
1 32 ARG 67.378 1.563 9 20 [********+*-*********]
1 33 PHE 208.382 2.896 7 20 [**-***+*************]
1 34 TRP 40.441 1.798 7 15 "[***** + **-* *. ****]"
1 35 TYR 61.070 2.375 2 20 [*+****-*************]
1 36 GLY 0.257 0.138 3 0 "[ . 1 . 2]"
1 37 GLY 11.062 1.206 3 11 "[**+*. * -** .*** 2]"
1 39 GLY 0.518 0.175 13 0 "[ . 1 . 2]"
1 40 GLY 0.050 0.050 7 0 "[ . 1 . 2]"
1 41 ASN 3.478 0.472 11 0 "[ . 1 . 2]"
1 42 GLU 6.198 0.768 15 3 "[ . 1 +* -2]"
1 43 ASN 26.543 1.000 19 19 "[- ****************+*]"
1 44 LYS 28.180 1.510 10 20 [*********+**-*******]
1 45 PHE 157.981 1.667 9 20 [********+**********-]
1 46 GLY 4.833 0.385 2 0 "[ . 1 . 2]"
1 47 SER 17.889 0.611 9 9 "[* * . - +* .* ***]"
1 48 GLN 2.479 0.193 12 0 "[ . 1 . 2]"
1 49 LYS 4.667 0.723 7 1 "[ . + 1 . 2]"
1 50 GLU 30.978 1.502 8 13 "[** ***+** *** * -]"
1 51 CYS 3.031 0.253 1 0 "[ . 1 . 2]"
1 52 GLU 20.572 0.810 11 16 "[ * ** * **+****-****]"
1 53 LYS 7.409 0.910 7 7 "[ * .*+ 1 * * - *]"
1 54 VAL 31.454 0.929 8 20 [*******+*******-****]
1 55 CYS 0.021 0.014 10 0 "[ . 1 . 2]"
1 56 ALA 77.284 2.374 2 20 [-+******************]
1 57 PRO 11.762 1.212 6 7 "[* .+** 1 * .- * 2]"
1 58 VAL 2.643 0.626 16 1 "[ . 1 .+ 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 THR H 2.430 . 2.430 2.379 1.950 2.518 0.088 2 0 "[ . 1 . 2]" 1
2 1 1 GLU QB 1 2 THR H 3.700 3.700 13.690 3.487 3.106 4.036 0.594 2 7 "[*+ *. **- . *2]" 1
3 1 1 GLU QG 1 2 THR H 6.030 5.280 6.780 4.699 4.546 4.963 0.734 20 14 "[* **. - **** *.****+]" 1
4 1 2 THR H 1 2 THR MG 3.410 3.410 13.400 3.271 2.604 4.187 0.806 16 8 "[- *. * * *+* *]" 1
5 1 2 THR HA 1 2 THR MG 2.920 2.920 12.910 2.640 2.334 3.321 0.586 6 7 "[ * .+** 1* *. -2]" 1
6 1 2 THR HA 1 3 ASP H 2.350 2.240 2.460 2.451 2.207 2.581 0.121 10 0 "[ . 1 . 2]" 1
7 1 2 THR HA 1 4 ILE H 4.970 3.530 6.410 4.399 3.518 5.635 0.012 19 0 "[ . 1 . 2]" 1
8 1 2 THR MG 1 3 ASP H 4.250 3.430 5.070 3.834 2.495 4.244 0.935 11 3 "[ .* -1+ . 2]" 1
9 1 3 ASP H 1 3 ASP QB 2.380 2.380 12.370 2.604 2.002 2.955 0.378 2 0 "[ . 1 . 2]" 1
10 1 3 ASP H 1 4 ILE H 3.250 3.000 3.500 3.421 2.888 3.620 0.120 14 0 "[ . 1 . 2]" 1
11 1 3 ASP H 1 5 CYS H 4.450 3.550 5.350 4.819 3.540 5.408 0.058 11 0 "[ . 1 . 2]" 1
12 1 3 ASP HA 1 4 ILE H 3.250 . 3.250 2.734 2.248 3.389 0.139 9 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 4 ILE HA 2.720 . 2.720 2.764 2.724 2.810 0.090 3 0 "[ . 1 . 2]" 1
14 1 4 ILE H 1 4 ILE HB 2.620 2.620 12.610 3.365 2.600 3.701 0.020 1 0 "[ . 1 . 2]" 1
15 1 4 ILE H 1 4 ILE QG 3.590 2.160 5.020 2.868 2.139 4.076 0.021 6 0 "[ . 1 . 2]" 1
16 1 4 ILE H 1 4 ILE MG 2.890 2.670 3.110 1.944 1.837 2.208 0.833 12 19 "[******- ***+********]" 1
17 1 4 ILE H 1 5 CYS H 2.620 2.470 2.770 2.800 2.540 2.880 0.110 9 0 "[ . 1 . 2]" 1
18 1 4 ILE H 1 6 LYS H 5.030 3.080 6.980 4.399 4.132 4.636 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE HA 1 4 ILE HB 2.360 . 2.360 2.395 2.361 2.427 0.067 10 0 "[ . 1 . 2]" 1
20 1 4 ILE HA 1 5 CYS H 2.810 2.300 3.320 3.338 3.248 3.378 0.058 3 0 "[ . 1 . 2]" 1
21 1 4 ILE HA 1 6 LYS H 4.910 2.990 6.830 3.629 3.269 3.890 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE HA 1 7 LEU H 4.550 2.250 6.850 3.935 3.553 4.509 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HA 1 7 LEU QD 4.240 . 6.690 2.094 1.933 2.498 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE HA 1 7 LEU HG 2.320 . 2.320 2.317 2.151 2.363 0.043 6 0 "[ . 1 . 2]" 1
25 1 4 ILE HA 1 42 GLU HB3 4.630 2.330 6.930 5.409 4.235 6.613 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE HB 1 5 CYS H 4.820 2.810 6.830 3.895 3.609 4.192 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE HB 1 42 GLU HB3 4.010 2.440 5.580 3.775 2.587 5.354 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE MD 1 42 GLU HA 5.670 3.440 7.900 4.883 3.771 6.243 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE MD 1 42 GLU HB2 5.010 2.170 7.850 3.499 2.012 4.957 0.158 15 0 "[ . 1 . 2]" 1
30 1 4 ILE MD 1 42 GLU HB3 4.780 2.150 7.410 3.490 2.080 4.620 0.070 8 0 "[ . 1 . 2]" 1
31 1 4 ILE MD 1 42 GLU QG 5.680 3.760 7.600 4.614 2.992 5.596 0.768 15 1 "[ . 1 + 2]" 1
32 1 4 ILE MD 1 45 PHE HZ 3.190 2.670 3.710 2.572 2.101 3.098 0.569 5 2 "[ + 1 - 2]" 1
33 1 4 ILE QG 1 5 CYS H 2.970 . 4.140 2.620 1.999 3.642 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE QG 1 45 PHE HZ 4.860 . 7.810 3.989 2.143 5.364 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE MG 1 5 CYS H 5.000 3.020 6.980 3.435 2.272 4.061 0.748 19 5 "[* . ** 1 - +2]" 1
36 1 5 CYS H 1 5 CYS HA 2.580 2.220 2.940 2.874 2.783 2.969 0.029 6 0 "[ . 1 . 2]" 1
37 1 5 CYS H 1 5 CYS HB2 2.410 . 2.410 2.420 2.225 2.456 0.046 13 0 "[ . 1 . 2]" 1
38 1 5 CYS H 1 5 CYS HB3 2.780 2.780 12.770 3.544 3.451 3.628 . 0 0 "[ . 1 . 2]" 1
39 1 5 CYS H 1 6 LYS H 2.490 2.260 2.720 2.697 2.422 2.792 0.072 19 0 "[ . 1 . 2]" 1
40 1 5 CYS HA 1 5 CYS HB2 2.290 2.290 12.280 3.010 2.996 3.027 . 0 0 "[ . 1 . 2]" 1
41 1 5 CYS HA 1 5 CYS HB3 2.640 . 2.640 2.490 2.411 2.621 . 0 0 "[ . 1 . 2]" 1
42 1 5 CYS HA 1 6 LYS H 2.910 2.910 12.900 3.302 2.960 3.518 . 0 0 "[ . 1 . 2]" 1
43 1 5 CYS HA 1 7 LEU H 4.740 2.630 6.850 3.763 3.434 4.025 . 0 0 "[ . 1 . 2]" 1
44 1 5 CYS HA 1 23 TYR QB 4.520 2.390 6.650 2.929 2.342 4.064 0.048 13 0 "[ . 1 . 2]" 1
45 1 5 CYS HB2 1 6 LYS H 4.740 3.030 6.450 3.250 3.005 3.754 0.025 4 0 "[ . 1 . 2]" 1
46 1 5 CYS HB3 1 23 TYR QE 4.520 2.740 6.300 3.078 2.558 4.410 0.182 15 0 "[ . 1 . 2]" 1
47 1 6 LYS H 1 6 LYS HA 2.380 2.380 12.370 2.984 2.925 3.028 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS H 1 6 LYS QG 3.150 2.540 3.760 3.013 2.066 3.598 0.474 10 0 "[ . 1 . 2]" 1
49 1 6 LYS H 1 7 LEU H 2.320 2.050 2.590 2.400 2.029 2.617 0.027 2 0 "[ . 1 . 2]" 1
50 1 6 LYS HA 1 6 LYS QB 2.670 . 2.670 2.346 2.199 2.451 . 0 0 "[ . 1 . 2]" 1
51 1 6 LYS HA 1 6 LYS QG 2.630 2.630 12.620 2.714 2.282 3.229 0.348 2 0 "[ . 1 . 2]" 1
52 1 7 LEU H 1 7 LEU HA 2.760 . 2.760 2.884 2.844 2.901 0.141 14 0 "[ . 1 . 2]" 1
53 1 7 LEU H 1 7 LEU HB2 3.520 . 3.520 2.514 2.355 2.672 . 0 0 "[ . 1 . 2]" 1
54 1 7 LEU H 1 7 LEU HB3 2.340 2.340 12.330 3.636 3.546 3.702 . 0 0 "[ . 1 . 2]" 1
55 1 7 LEU H 1 7 LEU QD 4.640 . 7.490 3.160 3.017 3.239 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU H 1 7 LEU HG 2.430 . 2.430 2.417 2.239 2.486 0.056 6 0 "[ . 1 . 2]" 1
57 1 7 LEU H 1 43 ASN HB2 4.840 2.980 6.700 4.221 3.442 5.553 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU H 1 43 ASN HB3 4.630 2.430 6.830 5.039 4.157 6.315 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU H 1 43 ASN QD 4.480 2.470 6.490 3.595 2.734 5.715 . 0 0 "[ . 1 . 2]" 1
60 1 7 LEU HA 1 7 LEU QD 3.970 . 3.970 2.083 2.040 2.165 . 0 0 "[ . 1 . 2]" 1
61 1 7 LEU HA 1 41 ASN QD 4.510 2.130 6.890 4.719 3.871 6.011 . 0 0 "[ . 1 . 2]" 1
62 1 7 LEU HB2 1 41 ASN QD 4.760 . 7.720 3.677 2.258 4.750 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU HB2 1 43 ASN H 4.720 2.450 6.990 4.183 3.277 5.614 . 0 0 "[ . 1 . 2]" 1
64 1 7 LEU HB2 1 43 ASN HB2 5.130 . 5.130 2.827 2.085 3.947 . 0 0 "[ . 1 . 2]" 1
65 1 7 LEU HB2 1 43 ASN HB3 4.510 2.030 6.990 3.267 2.378 4.214 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU HB3 1 8 PRO QD 4.320 . 6.840 2.725 2.026 4.063 . 0 0 "[ . 1 . 2]" 1
67 1 7 LEU HB3 1 41 ASN QD 4.430 . 6.910 3.064 2.408 3.872 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU HB3 1 43 ASN HB2 4.460 2.150 6.770 4.210 3.638 5.422 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU HB3 1 43 ASN HB3 6.400 . 6.400 4.172 3.503 5.340 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU QD 1 8 PRO QD 5.240 . 8.680 2.883 2.407 3.308 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU QD 1 41 ASN HA 5.930 4.000 7.860 4.259 3.528 5.003 0.472 11 0 "[ . 1 . 2]" 1
72 1 7 LEU QD 1 41 ASN HB2 3.380 . 4.960 2.485 1.888 3.230 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU QD 1 41 ASN HB3 4.300 . 6.810 3.477 2.655 4.398 . 0 0 "[ . 1 . 2]" 1
74 1 7 LEU QD 1 42 GLU H 5.410 2.860 7.960 3.122 2.104 4.563 0.756 16 1 "[ . 1 .+ 2]" 1
75 1 7 LEU QD 1 43 ASN H 4.700 . 7.600 3.494 2.550 4.622 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU HG 1 43 ASN H 5.070 3.280 6.860 5.774 4.783 6.848 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU HG 1 43 ASN HB2 3.890 2.070 5.710 4.447 3.476 5.370 . 0 0 "[ . 1 . 2]" 1
78 1 8 PRO HA 1 9 LYS H 2.360 . 2.360 2.402 2.217 2.482 0.122 18 0 "[ . 1 . 2]" 1
79 1 8 PRO HA 1 22 TYR QD 5.680 4.410 6.950 4.095 2.840 5.383 1.570 18 8 "[ . * 1* *** -+ *]" 1
80 1 8 PRO QD 1 41 ASN QD 4.490 2.080 6.900 3.570 1.885 5.060 0.195 8 0 "[ . 1 . 2]" 1
81 1 8 PRO QG 1 41 ASN QD 4.540 2.190 6.890 3.771 2.254 5.244 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS H 1 9 LYS HA 2.320 2.320 12.310 2.904 2.796 2.999 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS H 1 9 LYS QB 2.520 2.520 12.510 2.388 2.117 2.754 0.403 20 0 "[ . 1 . 2]" 1
84 1 9 LYS H 1 9 LYS QG 4.090 2.250 5.930 3.144 1.834 4.170 0.416 11 0 "[ . 1 . 2]" 1
85 1 9 LYS H 1 22 TYR QE 4.370 3.400 5.340 3.787 2.637 4.809 0.763 11 1 "[ . 1+ . 2]" 1
86 1 9 LYS HA 1 9 LYS QB 2.430 2.430 12.420 2.413 2.259 2.599 0.171 2 0 "[ . 1 . 2]" 1
87 1 9 LYS HA 1 9 LYS QG 2.310 2.310 12.300 2.575 2.297 3.123 0.013 4 0 "[ . 1 . 2]" 1
88 1 9 LYS HA 1 10 ASP H 2.370 2.210 2.530 2.331 2.179 2.564 0.034 6 0 "[ . 1 . 2]" 1
89 1 9 LYS HA 1 10 ASP HA 5.140 3.390 6.890 4.495 4.393 4.609 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS HA 1 22 TYR QD 4.910 3.510 6.310 3.714 2.757 4.729 0.753 3 2 "[- + . 1 . 2]" 1
91 1 9 LYS HA 1 22 TYR QE 5.560 4.130 6.990 4.416 3.674 5.577 0.456 11 0 "[ . 1 . 2]" 1
92 1 9 LYS QB 1 10 ASP HA 3.910 2.210 5.610 4.550 4.036 5.016 . 0 0 "[ . 1 . 2]" 1
93 1 9 LYS QB 1 22 TYR QB 4.560 . 7.320 4.493 2.342 5.863 . 0 0 "[ . 1 . 2]" 1
94 1 9 LYS QB 1 22 TYR QD 4.420 . 6.950 4.236 2.295 5.403 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS QB 1 22 TYR QE 4.580 2.190 6.970 4.060 2.630 5.511 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS QB 1 33 PHE QD 4.800 2.620 6.980 3.590 2.137 5.164 0.483 14 0 "[ . 1 . 2]" 1
97 1 9 LYS QD 1 22 TYR QD 4.820 . 7.640 4.611 2.619 6.157 . 0 0 "[ . 1 . 2]" 1
98 1 9 LYS QD 1 22 TYR QE 4.430 . 6.970 4.193 2.354 5.784 . 0 0 "[ . 1 . 2]" 1
99 1 9 LYS QD 1 33 PHE QB 4.820 . 7.840 3.117 1.999 5.129 . 0 0 "[ . 1 . 2]" 1
100 1 9 LYS QD 1 33 PHE QD 4.550 2.140 6.960 3.641 2.087 5.604 0.053 1 0 "[ . 1 . 2]" 1
101 1 9 LYS QG 1 22 TYR QB 4.600 . 7.400 3.819 1.929 5.542 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS QG 1 22 TYR QE 4.910 2.840 6.980 3.411 2.474 4.591 0.366 18 0 "[ . 1 . 2]" 1
103 1 9 LYS QG 1 33 PHE QD 4.450 . 7.100 3.217 1.993 4.985 . 0 0 "[ . 1 . 2]" 1
104 1 10 ASP H 1 10 ASP QB 2.370 2.370 12.360 2.484 2.113 2.914 0.257 18 0 "[ . 1 . 2]" 1
105 1 10 ASP HA 1 11 GLU H 2.450 2.300 2.600 2.332 2.214 2.666 0.086 10 0 "[ . 1 . 2]" 1
106 1 10 ASP HA 1 12 GLY H 5.110 3.280 6.940 4.267 3.412 5.471 . 0 0 "[ . 1 . 2]" 1
107 1 10 ASP QB 1 11 GLU H 2.500 2.500 12.490 3.608 2.298 4.139 0.202 16 0 "[ . 1 . 2]" 1
108 1 10 ASP QB 1 40 GLY QA 4.100 . 6.400 3.396 1.750 4.595 0.050 7 0 "[ . 1 . 2]" 1
109 1 10 ASP QB 1 41 ASN QD 4.390 . 6.830 2.670 1.702 5.236 0.248 18 0 "[ . 1 . 2]" 1
110 1 11 GLU H 1 11 GLU QB 3.220 2.950 3.490 2.686 2.308 3.219 0.642 2 7 "[*+ . ** *-* 2]" 1
111 1 11 GLU H 1 11 GLU QG 3.340 2.040 4.640 2.693 1.840 4.201 0.200 4 0 "[ . 1 . 2]" 1
112 1 11 GLU H 1 12 GLY H 3.050 2.800 3.300 2.929 2.652 3.320 0.148 10 0 "[ . 1 . 2]" 1
113 1 11 GLU HA 1 11 GLU QB 2.670 2.670 12.660 2.399 2.334 2.500 0.336 3 0 "[ . 1 . 2]" 1
114 1 11 GLU HA 1 33 PHE QE 5.370 4.660 6.080 3.716 2.507 5.324 2.153 2 15 "[*+**.-***1****.* * *]" 1
115 1 11 GLU HA 1 35 TYR QD 3.960 2.860 5.060 3.627 2.323 4.892 0.537 14 1 "[ . 1 +. 2]" 1
116 1 11 GLU QB 1 12 GLY H 3.500 3.110 3.890 2.925 2.404 3.649 0.706 17 5 "[ *** -1 . + 2]" 1
117 1 11 GLU QB 1 17 PHE QE 5.160 4.310 6.010 3.238 2.086 4.788 2.224 8 15 "[** ****+*- ***** * 2]" 1
118 1 11 GLU QB 1 33 PHE QD 6.530 6.530 16.520 4.519 3.634 5.861 2.896 7 20 [****-*+*************] 1
119 1 12 GLY H 1 12 GLY QA 2.470 2.470 12.460 2.362 2.235 2.498 0.235 10 0 "[ . 1 . 2]" 1
120 1 15 ARG H 1 15 ARG HA 2.580 2.580 12.570 2.912 2.525 3.036 0.055 16 0 "[ . 1 . 2]" 1
121 1 15 ARG H 1 15 ARG QG 3.950 2.070 5.830 3.926 2.913 4.579 . 0 0 "[ . 1 . 2]" 1
122 1 15 ARG H 1 16 ASP H 2.870 2.540 3.200 2.637 2.438 3.267 0.102 14 0 "[ . 1 . 2]" 1
123 1 15 ARG HA 1 15 ARG QD 4.050 2.210 5.890 3.472 1.918 4.472 0.292 2 0 "[ . 1 . 2]" 1
124 1 15 ARG HA 1 16 ASP H 2.250 2.250 12.240 3.028 2.337 3.610 . 0 0 "[ . 1 . 2]" 1
125 1 15 ARG HA 1 17 PHE H 3.900 2.860 4.940 3.990 3.014 4.990 0.050 8 0 "[ . 1 . 2]" 1
126 1 15 ARG HA 1 17 PHE QD 4.750 2.800 6.700 3.803 2.892 4.662 . 0 0 "[ . 1 . 2]" 1
127 1 15 ARG HA 1 17 PHE QE 4.940 . 4.940 2.979 2.044 4.578 . 0 0 "[ . 1 . 2]" 1
128 1 15 ARG HA 1 17 PHE HZ 4.090 2.910 5.270 4.023 2.885 5.205 0.025 3 0 "[ . 1 . 2]" 1
129 1 15 ARG QB 1 17 PHE QE 4.330 . 6.860 4.364 2.503 5.665 . 0 0 "[ . 1 . 2]" 1
130 1 15 ARG QG 1 16 ASP H 4.410 2.150 6.670 4.316 2.978 4.755 . 0 0 "[ . 1 . 2]" 1
131 1 15 ARG QG 1 17 PHE QD 5.030 2.260 7.800 4.846 3.085 5.900 . 0 0 "[ . 1 . 2]" 1
132 1 16 ASP H 1 16 ASP HA 2.850 2.850 12.840 2.958 2.906 3.007 . 0 0 "[ . 1 . 2]" 1
133 1 16 ASP H 1 17 PHE H 3.440 2.530 4.350 3.227 2.477 4.138 0.053 12 0 "[ . 1 . 2]" 1
134 1 16 ASP HA 1 17 PHE H 2.550 2.280 2.820 2.581 2.247 2.920 0.100 16 0 "[ . 1 . 2]" 1
135 1 17 PHE H 1 17 PHE HB2 2.840 . 2.840 2.738 2.493 2.909 0.069 16 0 "[ . 1 . 2]" 1
136 1 17 PHE H 1 17 PHE HB3 2.550 2.550 12.540 3.704 3.515 3.906 . 0 0 "[ . 1 . 2]" 1
137 1 17 PHE H 1 18 ILE H 4.410 3.390 5.430 4.143 3.287 4.740 0.103 11 0 "[ . 1 . 2]" 1
138 1 17 PHE HA 1 17 PHE HB2 2.820 2.820 12.810 3.014 2.970 3.052 . 0 0 "[ . 1 . 2]" 1
139 1 17 PHE HA 1 17 PHE HB3 2.500 . 2.500 2.464 2.295 2.527 0.027 12 0 "[ . 1 . 2]" 1
140 1 17 PHE HA 1 18 ILE H 3.300 . 3.300 2.454 2.035 3.441 0.141 11 0 "[ . 1 . 2]" 1
141 1 17 PHE HA 1 36 GLY QA 3.880 . 5.760 2.906 1.935 5.019 0.065 14 0 "[ . 1 . 2]" 1
142 1 17 PHE HB2 1 34 TRP HE3 3.370 3.120 3.620 3.621 3.106 3.871 0.251 19 0 "[ . 1 . 2]" 1
143 1 17 PHE HB3 1 18 ILE H 3.980 2.750 5.210 3.330 2.500 4.182 0.250 19 0 "[ . 1 . 2]" 1
144 1 17 PHE QD 1 18 ILE H 3.860 2.820 4.900 4.231 3.650 4.682 . 0 0 "[ . 1 . 2]" 1
145 1 17 PHE QD 1 36 GLY QA 4.070 2.460 5.680 3.431 2.322 4.727 0.138 3 0 "[ . 1 . 2]" 1
146 1 18 ILE H 1 18 ILE HB 2.990 2.990 12.980 3.416 2.894 4.036 0.096 17 0 "[ . 1 . 2]" 1
147 1 18 ILE H 1 18 ILE QG 4.160 2.740 5.580 3.588 2.038 4.392 0.702 15 3 "[ .- 1 +* 2]" 1
148 1 18 ILE H 1 18 ILE MG 3.880 3.260 4.500 2.431 2.315 2.551 0.945 9 20 [********+*********-*] 1
149 1 18 ILE H 1 19 LEU H 5.000 3.690 6.310 4.535 4.245 4.786 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE H 1 34 TRP HA 5.350 3.880 6.820 4.541 3.868 5.539 0.012 10 0 "[ . 1 . 2]" 1
151 1 18 ILE H 1 34 TRP HE3 3.580 3.100 4.060 3.485 2.963 4.080 0.137 19 0 "[ . 1 . 2]" 1
152 1 18 ILE H 1 35 TYR H 3.930 3.180 4.680 3.813 3.132 4.730 0.050 12 0 "[ . 1 . 2]" 1
153 1 18 ILE HA 1 18 ILE HB 2.390 2.390 12.380 2.536 2.378 2.745 0.012 11 0 "[ . 1 . 2]" 1
154 1 18 ILE HA 1 18 ILE MD 3.800 3.130 4.470 3.546 3.244 3.822 . 0 0 "[ . 1 . 2]" 1
155 1 18 ILE HA 1 19 LEU H 3.460 . 3.460 2.366 1.943 2.618 . 0 0 "[ . 1 . 2]" 1
156 1 18 ILE HA 1 34 TRP HE3 2.990 2.770 3.210 3.194 2.950 3.315 0.105 17 0 "[ . 1 . 2]" 1
157 1 18 ILE HB 1 19 LEU H 3.610 2.970 4.250 3.603 2.908 4.256 0.062 2 0 "[ . 1 . 2]" 1
158 1 18 ILE MD 1 20 LYS QE 5.570 3.590 7.550 3.452 2.341 5.310 1.249 5 7 "[ + 1 ** * *-*2]" 1
159 1 18 ILE MD 1 35 TYR QD 5.390 3.300 7.480 3.939 1.981 5.637 1.319 12 4 "[ . * 1 + *.- 2]" 1
160 1 18 ILE MD 1 35 TYR QE 6.930 4.390 9.470 4.363 2.015 7.072 2.375 2 9 "[ +* ***- 1 * ** 2]" 1
161 1 18 ILE QG 1 19 LEU H 4.700 2.660 6.740 3.130 1.875 4.396 0.785 19 1 "[ . 1 . +2]" 1
162 1 18 ILE QG 1 19 LEU HA 3.850 2.010 5.690 4.662 3.989 5.003 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE MG 1 35 TYR H 5.720 3.960 7.480 4.450 3.123 6.008 0.837 4 2 "[ +. - 1 . 2]" 1
164 1 18 ILE MG 1 35 TYR QD 5.530 3.450 7.610 3.631 1.975 5.490 1.475 1 7 "[+ **. * 1 * . * -]" 1
165 1 18 ILE MG 1 35 TYR QE 5.540 3.810 7.270 4.213 2.103 5.402 1.707 3 4 "[* + . * - . 2]" 1
166 1 19 LEU H 1 19 LEU HA 2.810 2.810 12.800 2.923 2.753 2.989 0.057 9 0 "[ . 1 . 2]" 1
167 1 19 LEU H 1 19 LEU QB 3.040 2.320 3.760 2.206 2.009 2.338 0.311 8 0 "[ . 1 . 2]" 1
168 1 19 LEU H 1 19 LEU QD 5.890 4.390 7.390 3.580 2.834 3.797 1.556 12 20 [***********+***-****] 1
169 1 19 LEU H 1 19 LEU HG 3.600 3.200 4.000 3.480 3.118 4.120 0.120 18 0 "[ . 1 . 2]" 1
170 1 19 LEU H 1 34 TRP HE3 4.230 3.230 5.230 3.750 3.189 4.120 0.041 17 0 "[ . 1 . 2]" 1
171 1 19 LEU H 1 34 TRP HZ3 3.340 2.940 3.740 3.074 2.899 3.488 0.041 18 0 "[ . 1 . 2]" 1
172 1 19 LEU HA 1 19 LEU QD 3.130 3.130 13.120 2.324 1.976 3.517 1.154 11 16 "[ *** ****+ **-*****]" 1
173 1 19 LEU HA 1 19 LEU HG 3.030 3.030 13.020 3.190 2.909 3.781 0.121 16 0 "[ . 1 . 2]" 1
174 1 19 LEU HA 1 20 LYS H 2.180 . 2.180 2.126 2.040 2.219 0.039 19 0 "[ . 1 . 2]" 1
175 1 19 LEU HA 1 34 TRP HA 2.870 2.400 3.340 2.595 2.366 3.068 0.034 19 0 "[ . 1 . 2]" 1
176 1 19 LEU HA 1 34 TRP HE3 2.980 2.600 3.360 3.411 3.367 3.480 0.120 18 0 "[ . 1 . 2]" 1
177 1 19 LEU HA 1 34 TRP HZ3 5.430 3.940 6.920 4.349 3.932 4.615 0.008 2 0 "[ . 1 . 2]" 1
178 1 19 LEU HA 1 35 TYR H 4.810 2.760 6.860 3.648 2.952 4.963 . 0 0 "[ . 1 . 2]" 1
179 1 19 LEU QB 1 19 LEU HG 2.420 2.420 12.410 2.420 2.293 2.555 0.127 18 0 "[ . 1 . 2]" 1
180 1 19 LEU QB 1 20 LYS H 4.130 2.700 5.560 3.409 2.981 4.011 . 0 0 "[ . 1 . 2]" 1
181 1 19 LEU QB 1 33 PHE H 4.520 2.090 6.950 4.772 4.339 5.439 . 0 0 "[ . 1 . 2]" 1
182 1 19 LEU QD 1 20 LYS H 5.780 3.620 7.940 2.842 1.910 3.840 1.710 15 15 "[*** ** -** **+****2]" 1
183 1 19 LEU QD 1 21 TRP HA 6.320 3.090 9.550 5.113 4.032 5.869 . 0 0 "[ . 1 . 2]" 1
184 1 19 LEU QD 1 21 TRP HE1 5.800 3.630 7.970 5.073 2.333 5.932 1.297 2 1 "[ + . 1 . 2]" 1
185 1 19 LEU QD 1 32 ARG HA 6.410 3.380 9.440 3.908 3.188 4.895 0.192 2 0 "[ . 1 . 2]" 1
186 1 19 LEU QD 1 32 ARG HB3 4.220 . 6.640 2.662 1.901 3.939 . 0 0 "[ . 1 . 2]" 1
187 1 19 LEU QD 1 32 ARG QD 4.820 2.040 7.600 3.088 1.830 4.736 0.210 13 0 "[ . 1 . 2]" 1
188 1 19 LEU QD 1 32 ARG HE 5.970 4.060 7.880 3.943 2.497 5.562 1.563 9 7 "[** . -+* * *2]" 1
189 1 19 LEU QD 1 33 PHE H 5.720 3.560 7.880 3.154 2.337 4.493 1.223 18 8 "[ . **1 * **-+*2]" 1
190 1 19 LEU QD 1 34 TRP HA 5.770 3.800 7.740 3.246 2.002 5.267 1.798 7 11 "[ *** + **- *. ***]" 1
191 1 19 LEU QD 1 34 TRP HE1 5.950 4.040 7.860 4.016 3.349 5.697 0.691 10 4 "[ . +- *. *]" 1
192 1 19 LEU QD 1 34 TRP HZ2 5.770 3.610 7.930 3.541 2.852 4.573 0.758 11 2 "[ . -+ . 2]" 1
193 1 19 LEU QD 1 34 TRP HZ3 5.530 2.590 8.470 3.960 3.380 4.834 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU HG 1 20 LYS H 4.910 3.180 6.640 4.418 3.180 4.994 . 0 0 "[ . 1 . 2]" 1
195 1 19 LEU HG 1 34 TRP HZ2 5.530 4.070 6.990 5.063 4.031 7.005 0.039 16 0 "[ . 1 . 2]" 1
196 1 20 LYS H 1 20 LYS QG 4.310 . 6.820 3.397 2.751 4.296 . 0 0 "[ . 1 . 2]" 1
197 1 20 LYS H 1 21 TRP H 4.700 3.260 6.140 4.532 4.429 4.653 . 0 0 "[ . 1 . 2]" 1
198 1 20 LYS H 1 32 ARG HA 4.510 2.960 6.060 4.503 4.331 4.783 . 0 0 "[ . 1 . 2]" 1
199 1 20 LYS H 1 33 PHE H 2.560 2.250 2.870 2.918 2.871 2.985 0.115 8 0 "[ . 1 . 2]" 1
200 1 20 LYS H 1 33 PHE QD 5.070 3.580 6.560 3.842 2.661 4.374 0.919 15 1 "[ . 1 + 2]" 1
201 1 20 LYS H 1 34 TRP HA 5.110 3.270 6.950 3.702 3.307 4.059 . 0 0 "[ . 1 . 2]" 1
202 1 20 LYS H 1 34 TRP HE3 5.140 3.580 6.700 5.299 5.046 5.523 . 0 0 "[ . 1 . 2]" 1
203 1 20 LYS H 1 35 TYR H 4.850 2.990 6.710 3.979 2.966 5.406 0.024 7 0 "[ . 1 . 2]" 1
204 1 20 LYS HA 1 20 LYS QD 4.330 . 6.860 3.249 1.972 4.190 . 0 0 "[ . 1 . 2]" 1
205 1 20 LYS HA 1 20 LYS QG 2.300 2.300 12.290 2.518 2.093 3.102 0.207 17 0 "[ . 1 . 2]" 1
206 1 20 LYS HA 1 21 TRP H 2.650 2.650 12.640 2.636 2.583 2.815 0.067 11 0 "[ . 1 . 2]" 1
207 1 20 LYS HA 1 21 TRP HA 5.430 4.050 6.810 4.498 4.419 4.625 . 0 0 "[ . 1 . 2]" 1
208 1 20 LYS HA 1 21 TRP HD1 3.080 2.410 3.750 3.387 3.062 3.740 . 0 0 "[ . 1 . 2]" 1
209 1 20 LYS HA 1 46 GLY QA 4.620 3.390 5.850 3.633 3.005 4.353 0.385 2 0 "[ . 1 . 2]" 1
210 1 20 LYS QB 1 20 LYS QE 4.090 . 6.380 2.985 1.993 3.899 . 0 0 "[ . 1 . 2]" 1
211 1 20 LYS QB 1 21 TRP H 6.990 . 6.990 2.420 2.079 3.338 . 0 0 "[ . 1 . 2]" 1
212 1 20 LYS QB 1 33 PHE QD 4.640 2.520 6.760 3.560 2.984 4.022 . 0 0 "[ . 1 . 2]" 1
213 1 20 LYS QB 1 44 LYS HA 3.780 . 5.660 3.275 2.663 4.140 . 0 0 "[ . 1 . 2]" 1
214 1 20 LYS QB 1 45 PHE H 4.740 . 7.680 3.341 2.917 4.231 . 0 0 "[ . 1 . 2]" 1
215 1 20 LYS QD 1 35 TYR QE 4.200 . 6.610 3.976 2.471 5.315 . 0 0 "[ . 1 . 2]" 1
216 1 20 LYS QD 1 46 GLY QA 4.180 . 6.560 3.556 2.026 5.020 . 0 0 "[ . 1 . 2]" 1
217 1 20 LYS QG 1 21 TRP H 3.880 2.700 5.060 3.730 2.167 4.490 0.533 16 1 "[ . 1 .+ 2]" 1
218 1 20 LYS QG 1 35 TYR H 5.200 2.530 7.870 4.642 3.246 6.276 . 0 0 "[ . 1 . 2]" 1
219 1 20 LYS QG 1 35 TYR QD 4.390 2.700 6.080 3.239 2.115 5.122 0.585 5 2 "[ + - 1 . 2]" 1
220 1 20 LYS QG 1 44 LYS QD 4.700 . 7.600 4.539 2.357 5.936 . 0 0 "[ . 1 . 2]" 1
221 1 21 TRP H 1 21 TRP HA 2.240 2.240 12.230 2.990 2.961 3.008 . 0 0 "[ . 1 . 2]" 1
222 1 21 TRP H 1 21 TRP HB2 2.650 . 2.650 2.560 2.487 2.614 . 0 0 "[ . 1 . 2]" 1
223 1 21 TRP H 1 21 TRP HB3 2.840 2.840 12.830 3.738 3.690 3.785 . 0 0 "[ . 1 . 2]" 1
224 1 21 TRP H 1 21 TRP HD1 2.660 2.430 2.890 2.848 2.647 2.954 0.064 7 0 "[ . 1 . 2]" 1
225 1 21 TRP H 1 21 TRP HE1 4.930 4.050 5.810 5.150 4.974 5.311 . 0 0 "[ . 1 . 2]" 1
226 1 21 TRP H 1 22 TYR H 5.190 3.610 6.770 4.464 4.344 4.569 . 0 0 "[ . 1 . 2]" 1
227 1 21 TRP H 1 44 LYS HA 5.140 3.530 6.750 4.131 3.794 4.454 . 0 0 "[ . 1 . 2]" 1
228 1 21 TRP H 1 45 PHE H 2.580 2.350 2.810 2.888 2.832 2.982 0.172 4 0 "[ . 1 . 2]" 1
229 1 21 TRP H 1 45 PHE HB3 5.020 4.000 6.040 4.648 4.195 5.057 . 0 0 "[ . 1 . 2]" 1
230 1 21 TRP HA 1 21 TRP HB3 2.650 . 2.650 2.551 2.510 2.599 . 0 0 "[ . 1 . 2]" 1
231 1 21 TRP HA 1 21 TRP HD1 4.160 2.830 5.490 4.071 3.890 4.214 . 0 0 "[ . 1 . 2]" 1
232 1 21 TRP HA 1 21 TRP HE3 3.180 2.760 3.600 3.313 3.123 3.585 . 0 0 "[ . 1 . 2]" 1
233 1 21 TRP HA 1 22 TYR H 2.260 . 2.260 2.240 2.161 2.283 0.023 18 0 "[ . 1 . 2]" 1
234 1 21 TRP HA 1 22 TYR HA 5.290 3.900 6.680 4.508 4.459 4.551 . 0 0 "[ . 1 . 2]" 1
235 1 21 TRP HA 1 22 TYR QD 5.360 3.770 6.950 4.046 3.295 4.583 0.475 18 0 "[ . 1 . 2]" 1
236 1 21 TRP HA 1 31 ALA H 5.060 3.160 6.960 4.302 4.098 4.463 . 0 0 "[ . 1 . 2]" 1
237 1 21 TRP HA 1 31 ALA HA 5.590 4.190 6.990 4.893 4.666 5.235 . 0 0 "[ . 1 . 2]" 1
238 1 21 TRP HA 1 31 ALA MB 6.160 4.370 7.950 4.938 4.791 5.026 . 0 0 "[ . 1 . 2]" 1
239 1 21 TRP HA 1 32 ARG HA 2.500 . 2.500 2.297 2.096 2.532 0.032 2 0 "[ . 1 . 2]" 1
240 1 21 TRP HA 1 32 ARG HB2 4.510 2.680 6.340 4.870 4.036 5.389 . 0 0 "[ . 1 . 2]" 1
241 1 21 TRP HA 1 32 ARG HB3 5.240 3.650 6.830 4.791 4.103 5.238 . 0 0 "[ . 1 . 2]" 1
242 1 21 TRP HA 1 32 ARG QG 4.910 2.850 6.970 3.303 2.514 4.317 0.336 11 0 "[ . 1 . 2]" 1
243 1 21 TRP HA 1 33 PHE H 4.590 2.310 6.870 3.442 3.224 3.718 . 0 0 "[ . 1 . 2]" 1
244 1 21 TRP HA 1 33 PHE QD 5.140 4.160 6.120 3.307 2.830 4.148 1.330 13 17 "[****.****** +*.**-**]" 1
245 1 21 TRP HA 1 33 PHE QE 5.860 4.740 6.980 4.232 3.369 5.091 1.371 13 11 "[ * .** ** +*.-** *]" 1
246 1 21 TRP HA 1 45 PHE HB2 4.760 3.220 6.300 4.880 4.553 5.096 . 0 0 "[ . 1 . 2]" 1
247 1 21 TRP HA 1 45 PHE HB3 5.040 3.370 6.710 6.476 5.991 6.723 0.013 9 0 "[ . 1 . 2]" 1
248 1 21 TRP HB2 1 21 TRP HD1 3.320 . 3.320 2.753 2.696 2.856 . 0 0 "[ . 1 . 2]" 1
249 1 21 TRP HB2 1 21 TRP HE3 2.430 2.430 12.420 3.836 3.758 3.891 . 0 0 "[ . 1 . 2]" 1
250 1 21 TRP HB2 1 45 PHE HB3 6.920 . 6.920 3.642 3.086 3.964 . 0 0 "[ . 1 . 2]" 1
251 1 21 TRP HB3 1 21 TRP HD1 2.990 2.990 12.980 3.875 3.835 3.928 . 0 0 "[ . 1 . 2]" 1
252 1 21 TRP HB3 1 22 TYR H 3.260 2.460 4.060 3.044 2.673 3.236 . 0 0 "[ . 1 . 2]" 1
253 1 21 TRP HB3 1 45 PHE H 5.310 4.040 6.580 4.640 4.424 4.834 . 0 0 "[ . 1 . 2]" 1
254 1 21 TRP HD1 1 45 PHE H 5.370 3.850 6.890 5.222 5.047 5.485 . 0 0 "[ . 1 . 2]" 1
255 1 21 TRP HD1 1 46 GLY QA 5.040 3.200 6.880 3.302 3.085 3.837 0.115 16 0 "[ . 1 . 2]" 1
256 1 21 TRP HD1 1 47 SER H 3.130 2.880 3.380 3.467 3.425 3.516 0.136 13 0 "[ . 1 . 2]" 1
257 1 21 TRP HD1 1 47 SER HA 2.450 2.300 2.600 2.628 2.283 2.697 0.097 8 0 "[ . 1 . 2]" 1
258 1 21 TRP HD1 1 47 SER QB 5.420 3.870 6.970 4.462 4.081 4.611 . 0 0 "[ . 1 . 2]" 1
259 1 21 TRP HD1 1 48 GLN H 5.030 3.100 6.960 4.075 3.537 4.401 . 0 0 "[ . 1 . 2]" 1
260 1 21 TRP HE1 1 32 ARG QG 5.110 2.950 7.270 3.824 3.272 5.380 . 0 0 "[ . 1 . 2]" 1
261 1 21 TRP HE1 1 47 SER HA 2.990 2.670 3.310 2.595 2.566 2.627 0.104 14 0 "[ . 1 . 2]" 1
262 1 21 TRP HE1 1 47 SER QB 5.430 3.880 6.980 4.335 3.954 4.574 . 0 0 "[ . 1 . 2]" 1
263 1 21 TRP HE1 1 48 GLN H 3.410 3.030 3.790 3.541 3.048 3.829 0.039 18 0 "[ . 1 . 2]" 1
264 1 21 TRP HE1 1 48 GLN HB2 4.930 3.070 6.790 4.924 4.410 5.536 . 0 0 "[ . 1 . 2]" 1
265 1 21 TRP HE1 1 48 GLN HB3 5.110 3.300 6.920 5.864 5.060 6.412 . 0 0 "[ . 1 . 2]" 1
266 1 21 TRP HE3 1 22 TYR H 5.110 3.290 6.930 3.748 3.340 4.122 . 0 0 "[ . 1 . 2]" 1
267 1 21 TRP HE3 1 30 CYS HA 4.310 2.890 5.730 4.485 4.141 4.820 . 0 0 "[ . 1 . 2]" 1
268 1 21 TRP HE3 1 30 CYS HB2 2.820 2.160 3.480 3.184 2.147 3.515 0.035 14 0 "[ . 1 . 2]" 1
269 1 21 TRP HE3 1 31 ALA H 3.190 2.610 3.770 3.576 3.230 3.791 0.021 11 0 "[ . 1 . 2]" 1
270 1 21 TRP HE3 1 31 ALA HA 4.410 2.670 6.150 3.157 2.729 3.752 . 0 0 "[ . 1 . 2]" 1
271 1 21 TRP HE3 1 32 ARG HA 4.830 3.000 6.660 4.122 3.862 4.593 . 0 0 "[ . 1 . 2]" 1
272 1 21 TRP HE3 1 48 GLN HA 4.790 2.750 6.830 3.016 2.712 3.661 0.038 19 0 "[ . 1 . 2]" 1
273 1 21 TRP HE3 1 48 GLN HB2 4.340 2.280 6.400 3.330 2.747 4.489 . 0 0 "[ . 1 . 2]" 1
274 1 21 TRP HH2 1 32 ARG QG 4.830 2.010 7.650 3.974 3.032 5.935 . 0 0 "[ . 1 . 2]" 1
275 1 21 TRP HH2 1 48 GLN HB2 3.270 2.620 3.920 3.425 2.999 3.956 0.036 16 0 "[ . 1 . 2]" 1
276 1 21 TRP HZ2 1 32 ARG HB3 4.800 3.080 6.520 5.856 5.147 6.562 0.042 11 0 "[ . 1 . 2]" 1
277 1 21 TRP HZ2 1 32 ARG QD 5.180 3.420 6.940 2.991 2.532 4.568 0.888 19 14 "[-** ** * * ** * **+*]" 1
278 1 21 TRP HZ2 1 32 ARG HE 3.080 2.830 3.330 3.096 2.808 3.390 0.060 18 0 "[ . 1 . 2]" 1
279 1 21 TRP HZ2 1 32 ARG QG 4.910 2.830 6.990 3.751 2.742 5.371 0.088 2 0 "[ . 1 . 2]" 1
280 1 21 TRP HZ2 1 48 GLN HB2 3.730 2.770 4.690 3.954 3.431 4.640 . 0 0 "[ . 1 . 2]" 1
281 1 21 TRP HZ3 1 30 CYS HA 5.070 3.160 6.980 5.674 5.328 6.144 . 0 0 "[ . 1 . 2]" 1
282 1 21 TRP HZ3 1 30 CYS HB2 6.950 . 6.950 4.420 3.127 4.896 . 0 0 "[ . 1 . 2]" 1
283 1 21 TRP HZ3 1 31 ALA HA 2.860 2.240 3.480 2.810 2.237 3.485 0.005 16 0 "[ . 1 . 2]" 1
284 1 21 TRP HZ3 1 32 ARG HA 4.810 2.830 6.790 5.288 4.825 5.880 . 0 0 "[ . 1 . 2]" 1
285 1 21 TRP HZ3 1 48 GLN HB2 4.640 2.310 6.970 3.080 2.624 4.083 . 0 0 "[ . 1 . 2]" 1
286 1 21 TRP HZ3 1 48 GLN QG 4.490 2.140 6.840 3.278 2.632 4.221 . 0 0 "[ . 1 . 2]" 1
287 1 22 TYR H 1 22 TYR HA 2.380 2.380 12.370 3.002 2.968 3.032 . 0 0 "[ . 1 . 2]" 1
288 1 22 TYR H 1 22 TYR QD 3.470 . 3.470 2.561 2.251 3.252 . 0 0 "[ . 1 . 2]" 1
289 1 22 TYR H 1 22 TYR QE 4.660 3.350 5.970 4.640 4.135 5.059 . 0 0 "[ . 1 . 2]" 1
290 1 22 TYR H 1 23 TYR H 4.850 2.750 6.950 4.398 4.338 4.444 . 0 0 "[ . 1 . 2]" 1
291 1 22 TYR H 1 30 CYS HA 5.030 3.150 6.910 4.147 3.986 4.348 . 0 0 "[ . 1 . 2]" 1
292 1 22 TYR H 1 31 ALA H 2.670 . 2.670 2.712 2.686 2.743 0.073 9 0 "[ . 1 . 2]" 1
293 1 22 TYR H 1 31 ALA MB 5.930 3.970 7.890 3.996 3.830 4.309 0.140 16 0 "[ . 1 . 2]" 1
294 1 22 TYR H 1 32 ARG H 4.930 2.980 6.880 4.827 4.733 4.890 . 0 0 "[ . 1 . 2]" 1
295 1 22 TYR H 1 32 ARG HA 4.590 2.320 6.860 3.595 3.259 3.973 . 0 0 "[ . 1 . 2]" 1
296 1 22 TYR H 1 33 PHE QD 5.550 4.160 6.940 3.440 2.936 4.564 1.224 17 18 "[************-*.*+ **]" 1
297 1 22 TYR H 1 33 PHE QE 5.690 4.410 6.970 4.201 3.710 4.732 0.700 7 4 "[ - . + *1 . *]" 1
298 1 22 TYR HA 1 22 TYR QE 5.990 . 5.990 5.533 5.253 5.637 . 0 0 "[ . 1 . 2]" 1
299 1 22 TYR HA 1 23 TYR H 2.250 . 2.250 2.264 2.190 2.296 0.046 7 0 "[ . 1 . 2]" 1
300 1 22 TYR HA 1 23 TYR HA 4.930 3.160 6.700 4.376 4.326 4.445 . 0 0 "[ . 1 . 2]" 1
301 1 22 TYR HA 1 23 TYR QB 4.780 3.270 6.290 4.004 3.829 4.133 . 0 0 "[ . 1 . 2]" 1
302 1 22 TYR HA 1 31 ALA H 4.640 2.340 6.940 4.779 4.689 4.861 . 0 0 "[ . 1 . 2]" 1
303 1 22 TYR HA 1 33 PHE QD 5.570 4.150 6.990 4.742 4.283 5.502 . 0 0 "[ . 1 . 2]" 1
304 1 22 TYR HA 1 43 ASN QD 4.360 . 6.920 4.017 3.480 4.648 . 0 0 "[ . 1 . 2]" 1
305 1 22 TYR HA 1 44 LYS HA 3.160 2.720 3.600 3.512 2.955 3.710 0.110 7 0 "[ . 1 . 2]" 1
306 1 22 TYR HA 1 44 LYS QB 4.970 2.360 7.580 5.172 4.624 5.638 . 0 0 "[ . 1 . 2]" 1
307 1 22 TYR HA 1 45 PHE H 4.980 2.970 6.990 3.434 3.231 3.658 . 0 0 "[ . 1 . 2]" 1
308 1 22 TYR HA 1 45 PHE HB2 4.790 2.680 6.900 4.365 4.013 4.623 . 0 0 "[ . 1 . 2]" 1
309 1 22 TYR HA 1 45 PHE HB3 5.030 3.110 6.950 5.925 5.674 6.101 . 0 0 "[ . 1 . 2]" 1
310 1 22 TYR HA 1 45 PHE QD 4.180 3.800 4.560 2.583 2.397 2.798 1.403 10 20 [*********+-*********] 1
311 1 22 TYR HA 1 45 PHE QE 5.790 4.640 6.940 3.490 3.048 4.073 1.592 10 20 [*********+*********-] 1
312 1 22 TYR QB 1 23 TYR H 3.060 . 4.310 3.021 2.643 3.501 . 0 0 "[ . 1 . 2]" 1
313 1 22 TYR QB 1 33 PHE QD 4.900 2.860 6.940 2.536 2.035 3.419 0.825 4 7 "[* +* * 1-* . *]" 1
314 1 22 TYR QD 1 23 TYR H 4.860 2.740 6.980 3.213 2.363 3.712 0.377 15 0 "[ . 1 . 2]" 1
315 1 22 TYR QD 1 24 ASP HB2 4.980 3.340 6.620 3.998 3.348 4.409 . 0 0 "[ . 1 . 2]" 1
316 1 22 TYR QD 1 33 PHE H 5.280 4.420 6.140 4.446 3.704 5.177 0.716 5 3 "[ + 1 . *-2]" 1
317 1 22 TYR QD 1 33 PHE QB 3.780 2.520 5.040 3.119 2.513 3.875 0.007 19 0 "[ . 1 . 2]" 1
318 1 22 TYR QD 1 43 ASN QD 4.080 2.710 5.450 2.132 1.710 2.683 1.000 19 15 "[- *** * *********+2]" 1
319 1 22 TYR QE 1 23 TYR H 4.770 2.810 6.730 4.885 4.442 5.246 . 0 0 "[ . 1 . 2]" 1
320 1 22 TYR QE 1 24 ASP HA 3.470 . 3.470 2.795 1.912 3.594 0.124 17 0 "[ . 1 . 2]" 1
321 1 22 TYR QE 1 24 ASP HB2 2.900 . 2.900 2.756 1.938 3.216 0.316 1 0 "[ . 1 . 2]" 1
322 1 22 TYR QE 1 24 ASP HB3 6.910 . 6.910 4.145 3.330 4.603 . 0 0 "[ . 1 . 2]" 1
323 1 22 TYR QE 1 25 PRO QD 5.240 3.520 6.960 3.379 2.810 4.284 0.710 6 4 "[ .+ - * * 2]" 1
324 1 22 TYR QE 1 30 CYS HA 5.740 4.520 6.960 5.176 4.631 5.545 . 0 0 "[ . 1 . 2]" 1
325 1 22 TYR QE 1 31 ALA H 5.330 3.820 6.840 3.992 3.620 4.686 0.200 18 0 "[ . 1 . 2]" 1
326 1 22 TYR QE 1 31 ALA MB 5.200 4.740 5.660 2.376 2.012 2.923 2.728 4 20 [***+**********-*****] 1
327 1 22 TYR QE 1 33 PHE QB 4.920 3.080 6.760 3.875 2.880 5.038 0.200 18 0 "[ . 1 . 2]" 1
328 1 22 TYR QE 1 33 PHE QD 6.980 . 6.980 4.862 3.757 5.758 . 0 0 "[ . 1 . 2]" 1
329 1 22 TYR QE 1 43 ASN QD 5.510 3.140 7.880 3.362 2.383 4.057 0.757 16 2 "[ -. 1 .+ 2]" 1
330 1 23 TYR H 1 23 TYR QB . . 2.520 2.242 2.121 2.318 . 0 0 "[ . 1 . 2]" 1
331 1 23 TYR H 1 30 CYS HA 4.810 2.890 6.730 4.527 4.358 4.687 . 0 0 "[ . 1 . 2]" 1
332 1 23 TYR H 1 43 ASN QD 3.270 . 4.740 2.541 1.985 3.221 . 0 0 "[ . 1 . 2]" 1
333 1 23 TYR H 1 45 PHE QD 5.570 4.160 6.980 3.727 3.387 4.030 0.773 16 7 "[* *.*-* 1 .+ *]" 1
334 1 23 TYR H 1 45 PHE QE 5.290 4.660 5.920 3.227 2.993 3.471 1.667 9 20 [********+**********-] 1
335 1 23 TYR H 1 45 PHE HZ 4.410 2.530 6.290 5.563 5.232 5.877 . 0 0 "[ . 1 . 2]" 1
336 1 23 TYR H 1 55 CYS QB 4.710 2.450 6.970 5.179 4.664 5.754 . 0 0 "[ . 1 . 2]" 1
337 1 23 TYR HA 1 23 TYR QD 3.230 . 3.230 2.679 2.431 3.155 . 0 0 "[ . 1 . 2]" 1
338 1 23 TYR HA 1 23 TYR QE 5.980 . 5.980 4.494 4.305 4.813 . 0 0 "[ . 1 . 2]" 1
339 1 23 TYR HA 1 24 ASP H 2.290 . 2.290 2.082 2.004 2.219 . 0 0 "[ . 1 . 2]" 1
340 1 23 TYR HA 1 30 CYS HA 2.370 . 2.370 2.240 2.033 2.401 0.031 1 0 "[ . 1 . 2]" 1
341 1 23 TYR HA 1 31 ALA H 4.640 2.290 6.990 3.799 3.516 3.974 . 0 0 "[ . 1 . 2]" 1
342 1 23 TYR QB 1 24 ASP H 4.070 2.040 6.100 3.752 3.644 3.879 . 0 0 "[ . 1 . 2]" 1
343 1 23 TYR QB 1 30 CYS HA 4.360 2.660 6.150 4.287 4.022 4.533 . 0 0 "[ . 1 . 2]" 1
344 1 23 TYR QB 1 43 ASN QD 3.380 . 4.950 2.733 2.022 4.168 . 0 0 "[ . 1 . 2]" 1
345 1 23 TYR QD 1 25 PRO HA 5.250 3.650 6.850 4.178 3.701 4.923 . 0 0 "[ . 1 . 2]" 1
346 1 23 TYR QD 1 25 PRO QD 5.450 4.010 6.890 2.329 2.003 3.863 2.007 3 19 "[**+************ -***]" 1
347 1 23 TYR QD 1 30 CYS HA 4.900 2.850 6.950 3.972 3.636 4.679 . 0 0 "[ . 1 . 2]" 1
348 1 23 TYR QE 1 25 PRO HA 3.630 3.100 4.160 2.837 2.256 3.806 0.844 18 5 "[ ** - 1 . + *]" 1
349 1 23 TYR QE 1 25 PRO QB 5.110 3.330 6.890 3.250 2.521 3.778 0.809 8 2 "[ . + 1 . - 2]" 1
350 1 23 TYR QE 1 25 PRO QD 5.850 3.830 7.870 3.099 2.645 4.393 1.185 13 16 "[***** ***** +*- ***2]" 1
351 1 23 TYR QE 1 25 PRO QG 4.970 3.170 6.770 4.496 3.970 4.793 . 0 0 "[ . 1 . 2]" 1
352 1 23 TYR QE 1 28 LYS HA 4.390 . 4.390 3.120 2.879 3.636 . 0 0 "[ . 1 . 2]" 1
353 1 23 TYR QE 1 29 SER HA 4.020 3.390 4.650 2.678 2.176 3.313 1.214 14 16 "[ ***. *****-*+** ***]" 1
354 1 23 TYR QE 1 30 CYS HA 5.320 3.680 6.960 5.480 5.088 6.176 . 0 0 "[ . 1 . 2]" 1
355 1 23 TYR QE 1 55 CYS QB 4.780 . 7.760 3.456 2.733 5.297 . 0 0 "[ . 1 . 2]" 1
356 1 23 TYR QE 1 56 ALA HA 5.780 4.920 6.640 4.103 3.005 5.088 1.915 6 15 "[**- *+**** **** * *2]" 1
357 1 23 TYR QE 1 56 ALA MB 5.570 4.910 6.230 3.246 2.536 4.446 2.374 2 19 "[-+***** ************]" 1
358 1 23 TYR QE 1 57 PRO QD 5.490 4.060 6.920 4.991 3.296 5.821 0.764 8 1 "[ . + 1 . 2]" 1
359 1 24 ASP H 1 24 ASP HB2 2.680 . 2.680 2.736 2.686 2.769 0.089 17 0 "[ . 1 . 2]" 1
360 1 24 ASP H 1 30 CYS HA 4.440 2.190 6.690 2.658 2.262 2.869 . 0 0 "[ . 1 . 2]" 1
361 1 24 ASP H 1 31 ALA H 4.430 2.080 6.780 3.992 3.645 4.331 . 0 0 "[ . 1 . 2]" 1
362 1 24 ASP HA 1 24 ASP HB3 2.950 2.950 12.940 3.013 2.976 3.057 . 0 0 "[ . 1 . 2]" 1
363 1 24 ASP HA 1 26 ASN H 4.950 3.370 6.530 3.848 3.479 6.267 . 0 0 "[ . 1 . 2]" 1
364 1 24 ASP HB2 1 25 PRO QD 4.100 . 6.400 4.151 3.991 4.333 . 0 0 "[ . 1 . 2]" 1
365 1 24 ASP HB3 1 30 CYS HA 5.440 3.900 6.980 3.953 3.834 4.788 0.066 17 0 "[ . 1 . 2]" 1
366 1 25 PRO HA 1 28 LYS H 4.180 2.540 5.820 3.512 2.523 3.880 0.017 16 0 "[ . 1 . 2]" 1
367 1 25 PRO HA 1 28 LYS HA 2.520 2.070 2.970 2.800 2.159 3.012 0.042 12 0 "[ . 1 . 2]" 1
368 1 25 PRO HA 1 28 LYS QG 3.480 2.860 4.100 2.913 2.256 3.739 0.604 4 1 "[ +. 1 . 2]" 1
369 1 25 PRO QG 1 26 ASN H 4.100 . 4.100 3.102 2.773 3.640 . 0 0 "[ . 1 . 2]" 1
370 1 26 ASN H 1 26 ASN HA 2.490 2.490 12.480 2.878 2.479 3.006 0.011 17 0 "[ . 1 . 2]" 1
371 1 26 ASN H 1 27 THR H 2.230 . 2.470 2.455 2.039 2.686 0.216 17 0 "[ . 1 . 2]" 1
372 1 26 ASN H 1 28 LYS H 4.970 2.970 6.970 3.643 2.960 4.131 0.010 15 0 "[ . 1 . 2]" 1
373 1 26 ASN HA 1 27 THR H 3.300 3.300 13.290 3.425 3.269 3.507 0.031 17 0 "[ . 1 . 2]" 1
374 1 27 THR H 1 27 THR HA 2.510 2.510 12.500 3.019 2.997 3.044 . 0 0 "[ . 1 . 2]" 1
375 1 27 THR H 1 27 THR MG 3.080 2.590 3.570 2.270 2.040 2.509 0.550 9 2 "[ - +1 . 2]" 1
376 1 27 THR H 1 28 LYS H 2.270 . 2.270 2.078 1.848 2.311 0.041 5 0 "[ . 1 . 2]" 1
377 1 27 THR HA 1 28 LYS H 2.730 2.730 12.720 3.402 3.310 3.578 . 0 0 "[ . 1 . 2]" 1
378 1 28 LYS H 1 28 LYS QG 3.930 2.170 5.690 3.139 2.514 4.315 . 0 0 "[ . 1 . 2]" 1
379 1 28 LYS HA 1 28 LYS QD 4.430 2.090 6.770 4.209 4.035 4.415 . 0 0 "[ . 1 . 2]" 1
380 1 28 LYS HA 1 29 SER H 2.640 . 2.640 2.685 2.530 2.733 0.093 18 0 "[ . 1 . 2]" 1
381 1 29 SER H 1 30 CYS H 3.440 2.900 3.980 4.101 4.035 4.158 0.178 13 0 "[ . 1 . 2]" 1
382 1 29 SER HA 1 29 SER QB 2.540 2.400 2.680 2.362 2.281 2.450 0.119 13 0 "[ . 1 . 2]" 1
383 1 29 SER HA 1 30 CYS H 3.140 3.140 13.130 3.042 3.004 3.110 0.136 19 0 "[ . 1 . 2]" 1
384 1 29 SER HA 1 30 CYS HA 5.680 4.410 6.950 4.606 4.563 4.650 . 0 0 "[ . 1 . 2]" 1
385 1 29 SER QB 1 30 CYS H 3.750 3.010 4.490 2.486 2.235 2.893 0.775 13 10 "[* *** *1 + * *-*2]" 1
386 1 29 SER QB 1 30 CYS HA 5.870 4.880 6.860 4.656 4.421 4.821 0.459 12 0 "[ . 1 . 2]" 1
387 1 30 CYS H 1 30 CYS HA 2.380 2.380 12.370 2.988 2.944 3.012 . 0 0 "[ . 1 . 2]" 1
388 1 30 CYS H 1 30 CYS HB2 2.630 . 2.630 2.634 2.490 2.711 0.081 4 0 "[ . 1 . 2]" 1
389 1 30 CYS H 1 30 CYS HB3 2.620 2.620 12.610 3.765 3.643 3.804 . 0 0 "[ . 1 . 2]" 1
390 1 30 CYS H 1 31 ALA H 5.110 3.500 6.720 4.462 4.330 4.532 . 0 0 "[ . 1 . 2]" 1
391 1 30 CYS HA 1 30 CYS HB2 2.350 2.350 12.340 3.003 2.936 3.040 . 0 0 "[ . 1 . 2]" 1
392 1 30 CYS HA 1 31 ALA H 2.170 . 2.170 2.164 2.106 2.205 0.035 19 0 "[ . 1 . 2]" 1
393 1 30 CYS HA 1 31 ALA HA 5.410 3.890 6.930 4.461 4.412 4.482 . 0 0 "[ . 1 . 2]" 1
394 1 30 CYS HA 1 31 ALA MB 5.910 3.910 7.910 3.790 3.678 3.884 0.232 11 0 "[ . 1 . 2]" 1
395 1 30 CYS HA 1 48 GLN QG 5.280 2.740 7.820 4.624 3.983 6.134 . 0 0 "[ . 1 . 2]" 1
396 1 30 CYS HB2 1 31 ALA H 4.430 2.290 6.570 3.888 3.391 4.108 . 0 0 "[ . 1 . 2]" 1
397 1 30 CYS HB2 1 45 PHE HB2 5.780 . 5.780 5.815 5.680 5.872 0.092 3 0 "[ . 1 . 2]" 1
398 1 30 CYS HB2 1 48 GLN HA 4.150 2.860 5.440 2.869 2.768 3.526 0.092 18 0 "[ . 1 . 2]" 1
399 1 30 CYS HB2 1 48 GLN HB2 6.960 . 6.960 4.207 3.063 5.106 . 0 0 "[ . 1 . 2]" 1
400 1 30 CYS HB2 1 48 GLN QG 4.440 2.060 6.820 2.330 1.867 3.749 0.193 12 0 "[ . 1 . 2]" 1
401 1 30 CYS HB3 1 31 ALA H 3.910 2.360 5.460 2.846 2.470 3.203 . 0 0 "[ . 1 . 2]" 1
402 1 31 ALA H 1 31 ALA HA 2.750 2.750 12.740 2.980 2.963 2.997 . 0 0 "[ . 1 . 2]" 1
403 1 31 ALA H 1 31 ALA MB 3.110 2.820 3.400 2.474 2.415 2.593 0.405 17 0 "[ . 1 . 2]" 1
404 1 31 ALA H 1 32 ARG H 3.400 2.570 4.230 4.333 4.301 4.370 0.140 8 0 "[ . 1 . 2]" 1
405 1 31 ALA HA 1 32 ARG H 2.770 . 2.770 2.430 2.195 2.715 . 0 0 "[ . 1 . 2]" 1
406 1 31 ALA MB 1 32 ARG H 2.970 2.700 3.240 2.374 2.224 2.596 0.476 13 0 "[ . 1 . 2]" 1
407 1 32 ARG H 1 32 ARG HA 2.850 . 2.850 2.924 2.891 2.955 0.105 16 0 "[ . 1 . 2]" 1
408 1 32 ARG H 1 32 ARG HB2 2.210 . 2.210 2.270 2.209 2.336 0.126 4 0 "[ . 1 . 2]" 1
409 1 32 ARG H 1 32 ARG HB3 2.290 2.290 12.280 3.361 2.407 3.607 . 0 0 "[ . 1 . 2]" 1
410 1 32 ARG H 1 32 ARG HE 4.400 2.830 5.970 4.992 3.895 5.986 0.016 8 0 "[ . 1 . 2]" 1
411 1 32 ARG H 1 32 ARG QG 3.400 2.170 4.630 3.066 2.280 4.097 . 0 0 "[ . 1 . 2]" 1
412 1 32 ARG H 1 33 PHE H 4.700 2.420 6.980 4.536 4.447 4.617 . 0 0 "[ . 1 . 2]" 1
413 1 32 ARG HA 1 32 ARG HB2 2.410 2.410 12.400 2.879 2.483 3.018 . 0 0 "[ . 1 . 2]" 1
414 1 32 ARG HA 1 33 PHE H 2.280 . 2.280 2.146 2.038 2.263 . 0 0 "[ . 1 . 2]" 1
415 1 32 ARG HA 1 33 PHE QD 5.440 3.930 6.950 3.367 2.837 3.994 1.093 13 12 "[ -.****1* +*.*** *]" 1
416 1 32 ARG HB2 1 32 ARG HE 3.300 2.560 4.040 3.367 2.553 4.167 0.127 18 0 "[ . 1 . 2]" 1
417 1 32 ARG HB2 1 32 ARG QG 2.570 2.570 12.560 2.447 2.290 2.660 0.280 8 0 "[ . 1 . 2]" 1
418 1 32 ARG HB2 1 33 PHE H 4.510 2.150 6.870 4.158 3.907 4.312 . 0 0 "[ . 1 . 2]" 1
419 1 32 ARG HB3 1 32 ARG QD 3.250 3.250 13.240 2.891 2.642 3.488 0.608 5 9 "[ +* *1*** .-* *]" 1
420 1 32 ARG HB3 1 33 PHE H 2.900 . 3.800 3.270 2.842 3.847 0.047 7 0 "[ . 1 . 2]" 1
421 1 32 ARG QD 1 32 ARG QG 2.280 2.280 12.270 2.039 2.009 2.077 0.271 18 0 "[ . 1 . 2]" 1
422 1 32 ARG HE 1 32 ARG QG 2.890 2.890 12.880 2.630 2.277 3.440 0.613 9 4 "[ .* +1- .* 2]" 1
423 1 32 ARG QG 1 33 PHE H 4.660 . 7.520 3.394 2.146 4.258 . 0 0 "[ . 1 . 2]" 1
424 1 33 PHE H 1 33 PHE QD 3.070 3.070 13.060 2.356 1.791 2.847 1.279 18 15 "[ **.****1* ****-+**]" 1
425 1 33 PHE H 1 33 PHE QE 5.480 5.010 5.950 4.351 4.076 4.773 0.934 18 17 "[- **.****** *****+**]" 1
426 1 33 PHE H 1 34 TRP H 4.760 3.120 6.400 4.465 4.395 4.581 . 0 0 "[ . 1 . 2]" 1
427 1 33 PHE QB 1 34 TRP H 2.210 2.210 12.200 2.571 2.293 2.786 . 0 0 "[ . 1 . 2]" 1
428 1 33 PHE QD 1 34 TRP H 4.970 3.260 6.680 3.165 2.187 4.400 1.073 1 5 "[+* - 1 * . * 2]" 1
429 1 33 PHE QD 1 44 LYS HA 5.530 4.070 6.990 4.726 4.239 5.157 . 0 0 "[ . 1 . 2]" 1
430 1 33 PHE QE 1 35 TYR QB 4.360 . 6.920 2.927 1.893 4.904 . 0 0 "[ . 1 . 2]" 1
431 1 33 PHE QE 1 44 LYS HA 4.140 3.790 4.490 2.556 2.280 3.080 1.510 10 20 [*********+**-*******] 1
432 1 33 PHE QE 1 44 LYS QB 4.380 2.760 6.000 3.251 2.526 3.989 0.234 19 0 "[ . 1 . 2]" 1
433 1 33 PHE HZ 1 35 TYR QB 4.390 . 6.810 3.334 2.154 5.215 . 0 0 "[ . 1 . 2]" 1
434 1 33 PHE HZ 1 35 TYR QD 4.940 3.790 6.090 3.700 2.393 4.964 1.397 4 6 "[ +. - ** . **2]" 1
435 1 33 PHE HZ 1 44 LYS HA 3.550 2.910 4.190 3.340 2.945 4.198 0.008 12 0 "[ . 1 . 2]" 1
436 1 33 PHE HZ 1 44 LYS QB 4.010 2.080 5.940 2.631 1.964 4.058 0.116 6 0 "[ . 1 . 2]" 1
437 1 34 TRP H 1 34 TRP HA 2.920 2.920 12.910 2.969 2.917 3.006 0.003 7 0 "[ . 1 . 2]" 1
438 1 34 TRP H 1 34 TRP HB3 3.150 2.690 3.610 3.566 3.446 3.662 0.052 2 0 "[ . 1 . 2]" 1
439 1 34 TRP H 1 34 TRP HD1 3.290 2.930 3.650 3.326 2.904 3.680 0.030 10 0 "[ . 1 . 2]" 1
440 1 34 TRP H 1 35 TYR H 5.290 3.690 6.890 4.176 3.561 4.599 0.129 7 0 "[ . 1 . 2]" 1
441 1 34 TRP HA 1 34 TRP HB3 2.320 2.320 12.310 2.736 2.598 2.828 . 0 0 "[ . 1 . 2]" 1
442 1 34 TRP HA 1 34 TRP HE3 2.770 2.310 3.230 2.495 2.265 2.837 0.045 18 0 "[ . 1 . 2]" 1
443 1 34 TRP HA 1 35 TYR H 2.540 2.370 2.710 2.390 2.268 2.716 0.102 14 0 "[ . 1 . 2]" 1
444 1 34 TRP HB2 1 35 TYR H 4.700 3.010 6.390 4.408 3.428 4.725 . 0 0 "[ . 1 . 2]" 1
445 1 34 TRP HB3 1 34 TRP HD1 2.950 2.750 3.150 3.310 3.248 3.380 0.230 13 0 "[ . 1 . 2]" 1
446 1 34 TRP HB3 1 35 TYR H 3.300 2.400 4.200 3.809 2.346 4.303 0.103 10 0 "[ . 1 . 2]" 1
447 1 34 TRP HE3 1 35 TYR H 3.910 3.070 4.750 3.802 3.061 4.684 0.009 14 0 "[ . 1 . 2]" 1
448 1 35 TYR H 1 35 TYR QB 2.150 2.150 12.140 2.445 1.944 2.904 0.206 18 0 "[ . 1 . 2]" 1
449 1 35 TYR QD 1 37 GLY QA 4.280 3.030 5.530 3.860 2.393 4.786 0.637 18 1 "[ . 1 . + 2]" 1
450 1 35 TYR QD 1 40 GLY QA 5.560 . 9.320 4.157 2.468 7.009 . 0 0 "[ . 1 . 2]" 1
451 1 35 TYR QD 1 44 LYS QD 5.120 . 8.440 3.642 1.961 5.246 . 0 0 "[ . 1 . 2]" 1
452 1 35 TYR QD 1 44 LYS QE 3.640 . 5.480 3.766 2.532 4.711 . 0 0 "[ . 1 . 2]" 1
453 1 35 TYR QE 1 37 GLY QA 4.690 3.330 6.050 2.920 2.124 3.879 1.206 3 10 "[**+*. * -** .** 2]" 1
454 1 35 TYR QE 1 40 GLY QA 4.860 . 7.920 3.714 1.927 6.024 . 0 0 "[ . 1 . 2]" 1
455 1 35 TYR QE 1 44 LYS QD 4.680 . 7.560 3.200 2.174 4.389 . 0 0 "[ . 1 . 2]" 1
456 1 35 TYR QE 1 44 LYS QE 4.560 2.080 7.040 2.959 2.055 5.582 0.025 17 0 "[ . 1 . 2]" 1
457 1 39 GLY H 1 39 GLY QA 2.410 2.410 12.400 2.432 2.235 2.560 0.175 13 0 "[ . 1 . 2]" 1
458 1 41 ASN H 1 41 ASN HA 2.500 2.500 12.490 2.905 2.577 3.039 . 0 0 "[ . 1 . 2]" 1
459 1 41 ASN H 1 41 ASN HB2 2.870 2.870 12.860 3.644 3.500 3.874 . 0 0 "[ . 1 . 2]" 1
460 1 41 ASN H 1 41 ASN HB3 2.530 2.110 2.950 2.531 2.157 2.946 . 0 0 "[ . 1 . 2]" 1
461 1 41 ASN H 1 42 GLU H 4.840 2.730 6.950 4.539 3.973 4.781 . 0 0 "[ . 1 . 2]" 1
462 1 41 ASN HA 1 41 ASN HB2 2.480 . 2.480 2.426 2.362 2.499 0.019 5 0 "[ . 1 . 2]" 1
463 1 41 ASN HA 1 41 ASN QD 2.240 2.240 12.230 4.235 3.953 4.378 . 0 0 "[ . 1 . 2]" 1
464 1 41 ASN HA 1 42 GLU H 2.310 2.310 12.300 2.541 2.242 3.098 0.068 6 0 "[ . 1 . 2]" 1
465 1 41 ASN HB2 1 42 GLU H 2.550 . 2.550 2.325 1.867 2.566 0.016 4 0 "[ . 1 . 2]" 1
466 1 41 ASN HB3 1 42 GLU H 4.110 2.080 6.140 3.728 3.407 3.957 . 0 0 "[ . 1 . 2]" 1
467 1 42 GLU H 1 42 GLU HA 2.370 2.370 12.360 2.854 2.596 2.987 . 0 0 "[ . 1 . 2]" 1
468 1 42 GLU H 1 42 GLU HB2 2.980 . 2.980 2.579 2.182 3.015 0.035 15 0 "[ . 1 . 2]" 1
469 1 42 GLU H 1 42 GLU HB3 2.110 2.110 12.100 3.567 3.422 3.717 . 0 0 "[ . 1 . 2]" 1
470 1 42 GLU H 1 42 GLU QG 4.030 2.480 5.580 2.542 1.883 3.101 0.597 19 1 "[ . 1 . +2]" 1
471 1 42 GLU H 1 43 ASN H 4.340 2.180 6.500 2.999 2.472 3.340 . 0 0 "[ . 1 . 2]" 1
472 1 42 GLU HA 1 42 GLU HB3 2.530 . 2.530 2.439 2.315 2.545 0.015 7 0 "[ . 1 . 2]" 1
473 1 42 GLU HA 1 42 GLU QG 2.930 2.290 3.570 2.765 2.475 3.288 . 0 0 "[ . 1 . 2]" 1
474 1 42 GLU HA 1 43 ASN H 2.560 2.560 12.550 3.246 2.546 3.582 0.014 10 0 "[ . 1 . 2]" 1
475 1 42 GLU HA 1 44 LYS H 4.130 3.100 5.160 3.954 3.189 5.272 0.112 18 0 "[ . 1 . 2]" 1
476 1 42 GLU HB2 1 43 ASN H 4.380 2.160 6.600 3.309 2.094 4.189 0.066 15 0 "[ . 1 . 2]" 1
477 1 42 GLU HB3 1 43 ASN H 4.240 2.830 5.650 4.065 3.410 4.622 . 0 0 "[ . 1 . 2]" 1
478 1 43 ASN H 1 43 ASN HB2 2.400 2.400 12.390 2.582 2.319 2.994 0.081 20 0 "[ . 1 . 2]" 1
479 1 43 ASN H 1 43 ASN HB3 2.550 . 2.550 2.518 2.277 2.624 0.074 20 0 "[ . 1 . 2]" 1
480 1 43 ASN H 1 44 LYS H 4.850 3.140 6.560 3.363 3.002 4.244 0.138 18 0 "[ . 1 . 2]" 1
481 1 43 ASN HA 1 43 ASN HB2 2.590 . 2.590 2.469 2.268 2.569 . 0 0 "[ . 1 . 2]" 1
482 1 43 ASN HA 1 43 ASN HB3 2.800 2.800 12.790 3.061 3.010 3.111 . 0 0 "[ . 1 . 2]" 1
483 1 43 ASN HA 1 45 PHE QE 4.930 3.110 6.750 2.587 2.288 3.001 0.822 20 11 "[ ***- **1 * *.** +]" 1
484 1 43 ASN HA 1 45 PHE HZ 3.310 3.060 3.560 3.314 3.017 3.644 0.084 10 0 "[ . 1 . 2]" 1
485 1 43 ASN HB2 1 44 LYS H 3.370 2.410 4.330 4.353 3.524 4.412 0.082 19 0 "[ . 1 . 2]" 1
486 1 44 LYS H 1 44 LYS HA 2.700 2.700 12.690 2.943 2.632 3.002 0.068 18 0 "[ . 1 . 2]" 1
487 1 44 LYS H 1 44 LYS QE 4.480 2.270 6.690 4.836 3.730 5.450 . 0 0 "[ . 1 . 2]" 1
488 1 44 LYS H 1 45 PHE H 4.940 3.340 6.540 3.890 3.469 4.361 . 0 0 "[ . 1 . 2]" 1
489 1 44 LYS HA 1 44 LYS QD 3.240 . 4.620 4.055 3.402 4.231 . 0 0 "[ . 1 . 2]" 1
490 1 44 LYS HA 1 45 PHE H 2.410 . 2.410 2.166 2.015 2.383 . 0 0 "[ . 1 . 2]" 1
491 1 44 LYS HA 1 45 PHE QE 5.700 4.440 6.960 4.845 4.144 5.419 0.296 13 0 "[ . 1 . 2]" 1
492 1 44 LYS QB 1 45 PHE H 4.840 2.700 6.980 3.768 3.408 4.059 . 0 0 "[ . 1 . 2]" 1
493 1 45 PHE H 1 45 PHE HA 2.610 2.610 12.600 2.975 2.952 3.006 . 0 0 "[ . 1 . 2]" 1
494 1 45 PHE H 1 45 PHE HB2 2.580 2.200 2.960 2.523 2.381 2.687 . 0 0 "[ . 1 . 2]" 1
495 1 45 PHE H 1 45 PHE HB3 2.890 2.890 12.880 3.661 3.574 3.792 . 0 0 "[ . 1 . 2]" 1
496 1 45 PHE H 1 45 PHE QD 3.020 2.600 3.440 2.578 2.309 2.965 0.291 12 0 "[ . 1 . 2]" 1
497 1 45 PHE H 1 45 PHE QE 4.930 3.950 5.910 4.377 4.150 4.673 . 0 0 "[ . 1 . 2]" 1
498 1 45 PHE H 1 46 GLY H 5.270 3.720 6.820 4.517 4.436 4.654 . 0 0 "[ . 1 . 2]" 1
499 1 45 PHE HA 1 45 PHE HB2 2.470 2.470 12.460 3.046 2.980 3.091 . 0 0 "[ . 1 . 2]" 1
500 1 45 PHE HA 1 45 PHE HB3 2.490 . 2.490 2.453 2.319 2.509 0.019 20 0 "[ . 1 . 2]" 1
501 1 45 PHE HA 1 45 PHE QD 2.970 . 2.970 2.627 2.279 2.978 0.008 13 0 "[ . 1 . 2]" 1
502 1 45 PHE HA 1 45 PHE QE 5.890 . 5.890 4.507 4.300 4.676 . 0 0 "[ . 1 . 2]" 1
503 1 45 PHE HA 1 46 GLY H 2.310 . 2.310 2.305 2.218 2.363 0.053 12 0 "[ . 1 . 2]" 1
504 1 45 PHE HA 1 47 SER H 4.950 3.130 6.770 4.288 3.972 4.454 . 0 0 "[ . 1 . 2]" 1
505 1 45 PHE HA 1 54 VAL QG 6.100 2.840 9.360 5.249 4.889 5.749 . 0 0 "[ . 1 . 2]" 1
506 1 45 PHE HB2 1 46 GLY H 4.820 2.720 6.920 3.594 3.373 3.983 . 0 0 "[ . 1 . 2]" 1
507 1 45 PHE HB2 1 51 CYS H 4.480 2.310 6.650 3.215 2.891 3.960 . 0 0 "[ . 1 . 2]" 1
508 1 45 PHE HB3 1 46 GLY H 2.700 2.410 2.990 2.527 2.356 3.026 0.054 19 0 "[ . 1 . 2]" 1
509 1 45 PHE HB3 1 47 SER H 2.750 2.500 3.000 2.986 2.705 3.048 0.048 13 0 "[ . 1 . 2]" 1
510 1 45 PHE HB3 1 51 CYS H 4.280 2.390 6.170 2.877 2.458 3.162 . 0 0 "[ . 1 . 2]" 1
511 1 45 PHE QD 1 46 GLY H 5.190 3.430 6.950 3.751 3.252 4.073 0.178 20 0 "[ . 1 . 2]" 1
512 1 45 PHE QD 1 50 GLU QG 5.050 3.440 6.660 2.642 1.938 3.866 1.502 8 13 "[** ***+** *** * -]" 1
513 1 45 PHE QD 1 51 CYS HA 3.080 . 3.080 3.042 2.821 3.333 0.253 1 0 "[ . 1 . 2]" 1
514 1 45 PHE QD 1 51 CYS QB 4.770 2.130 7.410 2.277 2.062 2.562 0.068 3 0 "[ . 1 . 2]" 1
515 1 45 PHE QE 1 50 GLU QG 6.120 4.370 7.870 4.257 3.587 5.250 0.783 8 7 "[** .**+ 1 * -]" 1
516 1 45 PHE QE 1 51 CYS HA 4.570 2.540 6.600 3.188 2.754 3.577 . 0 0 "[ . 1 . 2]" 1
517 1 45 PHE QE 1 54 VAL HB 3.320 . 3.320 3.337 2.954 3.575 0.255 19 0 "[ . 1 . 2]" 1
518 1 45 PHE QE 1 54 VAL QG 4.680 2.670 6.690 1.962 1.834 2.184 0.836 13 18 "[***** *-****+*.*****]" 1
519 1 45 PHE HZ 1 51 CYS HA 3.680 3.200 4.160 3.796 3.261 4.172 0.012 11 0 "[ . 1 . 2]" 1
520 1 45 PHE HZ 1 54 VAL QG 3.200 2.820 3.580 2.109 1.891 2.277 0.929 8 20 [*******+*******-****] 1
521 1 46 GLY H 1 47 SER H 2.650 2.480 2.820 2.431 2.345 2.593 0.135 4 0 "[ . 1 . 2]" 1
522 1 46 GLY H 1 50 GLU QB 4.110 3.270 4.950 3.354 2.963 3.981 0.307 12 0 "[ . 1 . 2]" 1
523 1 46 GLY QA 1 47 SER H 2.530 2.530 12.520 2.694 2.523 2.781 0.007 13 0 "[ . 1 . 2]" 1
524 1 47 SER H 1 47 SER HA 2.580 2.580 12.570 2.978 2.938 3.003 . 0 0 "[ . 1 . 2]" 1
525 1 47 SER H 1 47 SER QB 3.310 3.310 13.300 2.868 2.699 3.124 0.611 9 9 "[* * . - +* .* ***]" 1
526 1 47 SER H 1 50 GLU QB 2.870 2.550 3.190 2.441 2.211 2.643 0.339 6 0 "[ . 1 . 2]" 1
527 1 47 SER HA 1 47 SER QB 2.560 . 2.560 2.314 2.157 2.431 . 0 0 "[ . 1 . 2]" 1
528 1 47 SER HA 1 48 GLN H 2.430 . 2.430 2.297 2.152 2.398 . 0 0 "[ . 1 . 2]" 1
529 1 47 SER HA 1 48 GLN HB2 5.110 3.240 6.980 4.624 4.387 4.844 . 0 0 "[ . 1 . 2]" 1
530 1 47 SER QB 1 48 GLN H 3.100 2.720 3.480 2.782 2.561 3.212 0.159 2 0 "[ . 1 . 2]" 1
531 1 47 SER QB 1 49 LYS H 3.410 2.920 3.900 3.100 2.731 3.486 0.189 12 0 "[ . 1 . 2]" 1
532 1 47 SER QB 1 49 LYS QB 4.620 2.330 6.910 3.351 2.603 3.755 . 0 0 "[ . 1 . 2]" 1
533 1 48 GLN H 1 48 GLN HA 2.320 2.320 12.310 2.816 2.730 2.886 . 0 0 "[ . 1 . 2]" 1
534 1 48 GLN H 1 48 GLN HB2 2.570 2.220 2.920 2.472 2.319 2.680 . 0 0 "[ . 1 . 2]" 1
535 1 48 GLN H 1 48 GLN HB3 2.700 2.200 3.200 2.647 2.438 2.921 . 0 0 "[ . 1 . 2]" 1
536 1 48 GLN H 1 48 GLN QG 4.340 2.770 5.910 4.049 3.950 4.125 . 0 0 "[ . 1 . 2]" 1
537 1 48 GLN H 1 49 LYS H 2.570 2.270 2.870 2.849 2.619 2.959 0.089 16 0 "[ . 1 . 2]" 1
538 1 48 GLN HA 1 48 GLN HB2 2.820 . 2.820 2.544 2.467 2.651 . 0 0 "[ . 1 . 2]" 1
539 1 48 GLN HA 1 48 GLN HB3 2.290 2.290 12.280 3.079 3.065 3.097 . 0 0 "[ . 1 . 2]" 1
540 1 48 GLN HA 1 49 LYS H 2.740 2.740 12.730 3.466 3.404 3.524 . 0 0 "[ . 1 . 2]" 1
541 1 48 GLN HA 1 51 CYS H 4.660 2.440 6.880 3.889 3.628 4.082 . 0 0 "[ . 1 . 2]" 1
542 1 48 GLN HA 1 51 CYS QB 4.160 . 6.520 2.970 2.327 4.308 . 0 0 "[ . 1 . 2]" 1
543 1 48 GLN HB2 1 49 LYS H 4.600 2.480 6.720 3.663 3.339 3.910 . 0 0 "[ . 1 . 2]" 1
544 1 48 GLN HB2 1 49 LYS HA 5.270 3.900 6.640 5.566 5.431 5.671 . 0 0 "[ . 1 . 2]" 1
545 1 48 GLN HB3 1 49 LYS H 2.530 2.010 3.050 2.361 2.005 2.822 0.005 19 0 "[ . 1 . 2]" 1
546 1 48 GLN QG 1 52 GLU QB 3.420 . 5.040 3.254 2.652 3.962 . 0 0 "[ . 1 . 2]" 1
547 1 49 LYS H 1 49 LYS HA 2.760 . 2.760 2.813 2.773 2.848 0.088 6 0 "[ . 1 . 2]" 1
548 1 49 LYS H 1 49 LYS QG 3.370 2.060 4.680 3.082 1.887 4.144 0.173 13 0 "[ . 1 . 2]" 1
549 1 49 LYS H 1 50 GLU H 2.560 2.050 3.070 2.971 2.625 3.104 0.034 12 0 "[ . 1 . 2]" 1
550 1 49 LYS H 1 51 CYS H 5.160 3.470 6.850 4.576 4.335 4.908 . 0 0 "[ . 1 . 2]" 1
551 1 49 LYS HA 1 49 LYS QB 2.290 2.290 12.280 2.475 2.277 2.620 0.013 12 0 "[ . 1 . 2]" 1
552 1 49 LYS HA 1 50 GLU H 2.830 2.830 12.820 3.528 3.195 3.643 . 0 0 "[ . 1 . 2]" 1
553 1 49 LYS HA 1 52 GLU H 2.780 2.330 3.230 3.312 3.247 3.395 0.165 7 0 "[ . 1 . 2]" 1
554 1 49 LYS HA 1 52 GLU QG 5.020 3.210 6.830 3.911 2.487 4.399 0.723 7 1 "[ . + 1 . 2]" 1
555 1 49 LYS HA 1 53 LYS H 3.540 2.980 4.100 3.630 3.460 4.149 0.049 1 0 "[ . 1 . 2]" 1
556 1 49 LYS QB 1 50 GLU H 5.840 . 5.840 2.766 2.026 3.816 . 0 0 "[ . 1 . 2]" 1
557 1 50 GLU H 1 50 GLU HA 2.710 . 2.710 2.778 2.743 2.868 0.158 7 0 "[ . 1 . 2]" 1
558 1 50 GLU H 1 50 GLU QB 2.690 . 2.690 2.057 1.855 2.168 . 0 0 "[ . 1 . 2]" 1
559 1 50 GLU H 1 50 GLU QG 3.900 2.020 5.780 3.695 2.676 4.090 . 0 0 "[ . 1 . 2]" 1
560 1 50 GLU H 1 51 CYS H 2.950 . 2.950 2.746 2.001 2.975 0.025 4 0 "[ . 1 . 2]" 1
561 1 50 GLU H 1 52 GLU H 4.510 2.100 6.920 4.231 3.518 4.539 . 0 0 "[ . 1 . 2]" 1
562 1 50 GLU H 1 53 LYS QB 4.740 . 7.680 4.730 4.473 4.958 . 0 0 "[ . 1 . 2]" 1
563 1 50 GLU HA 1 50 GLU QB 2.460 . 2.460 2.317 2.231 2.457 . 0 0 "[ . 1 . 2]" 1
564 1 50 GLU HA 1 50 GLU QG 2.320 2.320 12.310 2.554 2.101 3.211 0.219 4 0 "[ . 1 . 2]" 1
565 1 50 GLU HA 1 51 CYS H 2.440 2.440 12.430 3.455 3.383 3.555 . 0 0 "[ . 1 . 2]" 1
566 1 50 GLU HA 1 53 LYS H 4.300 2.760 5.840 3.844 3.518 4.197 . 0 0 "[ . 1 . 2]" 1
567 1 50 GLU HA 1 53 LYS QB 2.670 . 3.540 2.993 2.472 3.302 . 0 0 "[ . 1 . 2]" 1
568 1 50 GLU QB 1 51 CYS H 2.520 2.230 2.810 2.132 1.977 2.351 0.253 7 0 "[ . 1 . 2]" 1
569 1 50 GLU QG 1 54 VAL QG 4.010 . 6.220 3.362 2.642 3.678 . 0 0 "[ . 1 . 2]" 1
570 1 51 CYS H 1 52 GLU H 5.620 . 5.620 2.906 2.721 3.064 . 0 0 "[ . 1 . 2]" 1
571 1 51 CYS H 1 53 LYS H 4.540 2.100 6.980 4.329 3.978 4.619 . 0 0 "[ . 1 . 2]" 1
572 1 51 CYS HA 1 54 VAL H 3.850 . 3.850 3.644 3.349 3.866 0.016 5 0 "[ . 1 . 2]" 1
573 1 51 CYS QB 1 52 GLU H 4.360 . 6.930 2.311 2.144 2.544 . 0 0 "[ . 1 . 2]" 1
574 1 52 GLU H 1 52 GLU QG 3.850 . 5.900 3.809 1.951 4.051 . 0 0 "[ . 1 . 2]" 1
575 1 52 GLU H 1 53 LYS H 2.880 . 2.880 2.853 2.648 2.917 0.037 14 0 "[ . 1 . 2]" 1
576 1 52 GLU H 1 54 VAL H 4.590 2.350 6.830 4.165 3.933 4.403 . 0 0 "[ . 1 . 2]" 1
577 1 52 GLU HA 1 55 CYS H 4.890 3.110 6.670 3.679 3.266 4.145 . 0 0 "[ . 1 . 2]" 1
578 1 52 GLU HA 1 56 ALA H 2.500 2.200 2.800 2.846 2.551 2.930 0.130 15 0 "[ . 1 . 2]" 1
579 1 52 GLU HA 1 56 ALA MB 3.480 3.060 3.900 2.522 2.250 3.240 0.810 11 15 "[ * ** * *1+*******-*]" 1
580 1 52 GLU QB 1 53 LYS H 2.630 . 3.460 2.403 2.087 3.211 . 0 0 "[ . 1 . 2]" 1
581 1 52 GLU QG 1 56 ALA MB 4.930 2.480 7.380 2.321 1.869 3.450 0.611 17 5 "[ . * * *-+ 2]" 1
582 1 53 LYS H 1 53 LYS HA 2.300 2.300 12.290 2.864 2.782 2.984 . 0 0 "[ . 1 . 2]" 1
583 1 53 LYS HA 1 54 VAL H 2.640 2.640 12.630 3.360 3.198 3.624 . 0 0 "[ . 1 . 2]" 1
584 1 53 LYS HA 1 56 ALA MB 4.330 3.800 4.860 3.806 3.758 3.940 0.042 14 0 "[ . 1 . 2]" 1
585 1 53 LYS QB 1 53 LYS QE 4.450 2.920 5.980 2.888 2.010 3.988 0.910 7 7 "[ * .*+ 1 * * - *]" 1
586 1 53 LYS QB 1 54 VAL H 6.880 . 6.880 3.162 2.313 3.801 . 0 0 "[ . 1 . 2]" 1
587 1 54 VAL H 1 54 VAL HB 2.180 . 2.180 2.261 2.224 2.364 0.184 5 0 "[ . 1 . 2]" 1
588 1 54 VAL H 1 56 ALA H 4.410 2.820 6.000 3.628 2.932 4.710 . 0 0 "[ . 1 . 2]" 1
589 1 54 VAL HA 1 54 VAL HB 2.240 2.240 12.230 3.044 3.015 3.083 . 0 0 "[ . 1 . 2]" 1
590 1 54 VAL HA 1 55 CYS H 3.110 3.110 13.100 3.504 3.434 3.587 . 0 0 "[ . 1 . 2]" 1
591 1 54 VAL HB 1 55 CYS H 2.810 . 2.810 2.572 2.223 2.795 . 0 0 "[ . 1 . 2]" 1
592 1 55 CYS H 1 56 ALA H 2.250 2.010 2.490 2.343 2.019 2.504 0.014 10 0 "[ . 1 . 2]" 1
593 1 55 CYS QB 1 56 ALA H 4.260 2.400 6.120 2.881 2.464 3.443 . 0 0 "[ . 1 . 2]" 1
594 1 56 ALA H 1 56 ALA HA 2.580 2.580 12.570 2.891 2.467 3.012 0.113 1 0 "[ . 1 . 2]" 1
595 1 56 ALA H 1 56 ALA MB 3.290 . 3.290 2.333 2.202 2.802 . 0 0 "[ . 1 . 2]" 1
596 1 56 ALA H 1 57 PRO QD 4.730 2.470 6.990 3.918 2.401 4.498 0.069 4 0 "[ . 1 . 2]" 1
597 1 56 ALA HA 1 57 PRO QD 2.130 2.130 12.120 2.104 1.929 2.826 0.201 2 0 "[ . 1 . 2]" 1
598 1 56 ALA MB 1 57 PRO QD 3.170 3.170 13.160 3.008 1.958 3.630 1.212 6 6 "[* .+** 1 - . * 2]" 1
599 1 57 PRO HA 1 58 VAL H 2.460 2.330 2.590 2.457 2.289 2.617 0.041 12 0 "[ . 1 . 2]" 1
600 1 57 PRO QB 1 58 VAL H 3.110 3.110 13.100 3.711 2.484 4.051 0.626 16 1 "[ . 1 .+ 2]" 1
601 1 58 VAL HA 1 58 VAL HB 2.680 2.680 12.670 2.806 2.607 3.076 0.073 12 0 "[ . 1 . 2]" 1
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