Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437852 | 2k3r RC | 15776 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k3r
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 771
_Distance_constraint_stats_list.Viol_count 2117
_Distance_constraint_stats_list.Viol_total 13775.303
_Distance_constraint_stats_list.Viol_max 2.032
_Distance_constraint_stats_list.Viol_rms 0.1595
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0447
_Distance_constraint_stats_list.Viol_average_violations_only 0.3253
_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 17 ARG 7.307 0.570 3 1 "[ + . 1 . 2]"
1 18 ILE 5.637 0.570 3 1 "[ + . 1 . 2]"
1 19 ASP 4.634 0.815 5 2 "[ + -1 . 2]"
1 20 ILE 14.258 0.570 3 4 "[ + * 1 . * *2]"
1 21 LEU 12.416 0.514 3 1 "[ + . 1 . 2]"
1 22 PHE 10.908 0.570 3 4 "[ + * 1 . - *2]"
1 23 SER 5.227 0.494 17 0 "[ . 1 . 2]"
1 24 LEU 4.129 0.494 17 0 "[ . 1 . 2]"
1 25 ALA 14.808 0.799 10 13 "[* -******+ *** * 2]"
1 26 GLU 2.607 0.301 14 0 "[ . 1 . 2]"
1 27 ARG 30.053 0.997 5 17 "[ * *+ ********-*****]"
1 28 VAL 24.729 0.631 13 17 "[ * ** ******+*-*****]"
1 29 PHE 0.067 0.030 7 0 "[ . 1 . 2]"
1 30 PRO 0.985 0.235 5 0 "[ . 1 . 2]"
1 31 TYR 10.813 0.997 5 8 "[ * + * - * . ***]"
1 32 SER 7.686 0.554 7 3 "[ - . + 1 .* 2]"
1 33 PRO 9.487 0.554 7 3 "[ - . + 1 .* 2]"
1 34 GLU 1.201 0.169 11 0 "[ . 1 . 2]"
1 35 LEU 22.550 0.734 10 20 [*********+********-*]
1 36 ALA 22.821 0.799 10 20 [**-******+**********]
1 37 LYS 30.327 0.973 4 16 "[***+.-**** *******]"
1 38 ARG 14.319 0.973 4 8 "[ +.-* * .* ***]"
1 39 TYR 0.052 0.052 15 0 "[ . 1 . 2]"
1 40 VAL 17.673 0.636 14 7 "[ *- . * +* **]"
1 41 GLU 37.826 2.032 17 20 [*******-********+***]
1 42 LEU 37.863 2.032 17 20 [*******-********+***]
1 43 ALA 1.629 0.299 20 0 "[ . 1 . 2]"
1 44 LEU 15.989 0.600 7 16 "[****-*+ ***** ** **2]"
1 45 LEU 20.802 0.522 16 4 "[* - 1 * .+ 2]"
1 46 VAL 19.481 0.600 7 15 "[ *****+ ***-* ** **2]"
1 47 GLN 23.141 0.629 17 5 "[* *. - * + 2]"
1 48 GLN 17.792 0.934 15 12 "[ ** * * *- ***+ * *2]"
1 49 LYS 6.384 0.585 17 3 "[ . 1 -*. + 2]"
1 50 ALA 2.255 0.272 17 0 "[ . 1 . 2]"
1 51 LYS 15.209 0.934 15 12 "[ ** * * *- ***+ * *2]"
1 52 VAL 8.022 0.727 18 6 "[ *-* * 1 * + 2]"
1 53 LYS 0.393 0.311 17 0 "[ . 1 . 2]"
1 54 ILE 17.930 0.727 18 12 "[ ***-*** 1 ** *+*2]"
1 57 LYS 23.294 0.815 5 8 "[* *+ *-* * * 2]"
1 58 TRP 18.776 0.751 15 19 "[***** ******-*+*****]"
1 59 LYS 62.875 1.242 1 20 [+**********-********]
1 60 ARG 41.675 1.001 12 20 [***********+********]
1 61 ARG 17.914 0.746 18 14 "[* ***- 1*******+ *]"
1 62 TYR 55.081 1.242 1 20 [+***********-*******]
1 63 CYS 2.767 0.297 2 0 "[ . 1 . 2]"
1 64 LYS 0.141 0.132 17 0 "[ . 1 . 2]"
1 65 LYS 34.117 1.031 4 20 [***+**************-*]
1 66 CYS 43.323 1.318 15 20 [********-*****+*****]
1 67 HIS 2.731 0.296 2 0 "[ . 1 . 2]"
1 68 ALA 10.920 0.766 19 3 "[ . 1 . -*+2]"
1 69 PHE 18.223 0.725 19 7 "[ *- . * 1 * **+2]"
1 70 LEU 25.658 0.746 18 20 [*****-***********+**]
1 71 VAL 13.454 0.681 17 10 "[ ***. -* 1 ***. + *]"
1 72 PRO 11.986 0.523 9 1 "[ . +1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 30.254 1.112 3 20 [**+*****-***********]
1 75 ASN 11.141 0.725 19 7 "[ *- . * 1 * **+2]"
1 76 ALA 22.233 0.681 17 10 "[ ***. -* 1 ***. + *]"
1 77 ARG 31.034 1.112 3 20 [**+**-**************]
1 78 VAL 42.213 1.409 19 20 [***-**************+*]
1 79 ARG 34.983 1.130 17 20 [**************-*+***]
1 80 LEU 19.092 0.772 15 20 [***-**********+*****]
1 81 ARG 17.824 1.083 7 13 "[*** * + *1 ** -****2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 49.071 1.409 19 20 [******-***********+*]
1 89 VAL 14.411 0.454 1 0 "[ . 1 . 2]"
1 90 VAL 32.466 0.761 6 15 "[ ** .+** 1**-*******]"
1 91 LYS 27.278 0.509 6 1 "[ .+ 1 . 2]"
1 92 CYS 17.027 1.031 4 15 "[***+.********** -2]"
1 93 LEU 25.629 1.254 15 20 [*****-********+*****]
1 94 GLU 15.947 1.318 15 10 "[ * *. *- * * +** *2]"
1 95 CYS 11.944 0.771 16 4 "[ * . 1 * .+ - 2]"
1 96 GLY 23.771 1.254 15 20 [******-*******+*****]
1 97 HIS 8.295 0.394 17 0 "[ . 1 . 2]"
1 98 ILE 5.454 0.202 17 0 "[ . 1 . 2]"
1 99 MET 15.884 0.761 6 15 "[ ** .+** 1**-*******]"
1 100 ARG 0.099 0.062 10 0 "[ . 1 . 2]"
1 101 TYR 3.762 0.614 11 5 "[ * . -* 1+ *. 2]"
1 103 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ARG QD 1 18 ILE H 4.090 . 4.090 4.359 4.199 4.660 0.570 3 1 "[ + . 1 . 2]" 1
2 1 18 ILE H 1 18 ILE HB 4.330 . 4.330 2.451 2.340 2.574 . 0 0 "[ . 1 . 2]" 1
3 1 18 ILE HA 1 21 LEU HB2 4.430 . 4.430 2.897 2.286 3.699 . 0 0 "[ . 1 . 2]" 1
4 1 18 ILE MD 1 47 GLN HG3 4.980 . 4.980 2.382 2.049 2.828 . 0 0 "[ . 1 . 2]" 1
5 1 18 ILE MD 1 47 GLN HA 4.980 . 4.980 2.272 2.050 2.618 . 0 0 "[ . 1 . 2]" 1
6 1 18 ILE MG 1 19 ASP H 5.320 . 5.320 2.671 1.953 3.384 . 0 0 "[ . 1 . 2]" 1
7 1 18 ILE MD 1 52 VAL HB 5.190 . 5.190 4.022 2.405 5.059 . 0 0 "[ . 1 . 2]" 1
8 1 18 ILE MD 1 44 LEU HA 5.490 . 5.490 4.652 3.875 5.272 . 0 0 "[ . 1 . 2]" 1
9 1 18 ILE MD 1 54 ILE MD 5.540 . 5.540 2.653 1.924 3.605 . 0 0 "[ . 1 . 2]" 1
10 1 18 ILE MG 1 54 ILE MD 6.160 . 6.160 2.683 1.770 3.668 0.030 6 0 "[ . 1 . 2]" 1
11 1 18 ILE MD 1 47 GLN HB2 4.850 . 4.850 2.234 1.952 2.724 . 0 0 "[ . 1 . 2]" 1
12 1 18 ILE MD 1 50 ALA MB 6.280 . 6.280 3.456 2.587 4.128 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE MD 1 52 VAL H 6.320 . 6.320 4.581 4.008 5.324 . 0 0 "[ . 1 . 2]" 1
14 1 18 ILE MG 1 19 ASP HA 5.040 . 5.040 3.224 2.908 3.472 . 0 0 "[ . 1 . 2]" 1
15 1 18 ILE MD 1 47 GLN H 5.450 . 5.450 3.559 3.051 3.920 . 0 0 "[ . 1 . 2]" 1
16 1 18 ILE MD 1 19 ASP H 6.050 . 6.050 4.684 4.453 4.911 . 0 0 "[ . 1 . 2]" 1
17 1 18 ILE HA 1 18 ILE HG13 4.110 . 4.110 2.685 2.280 3.710 . 0 0 "[ . 1 . 2]" 1
18 1 18 ILE HA 1 19 ASP H 5.000 . 5.000 3.504 3.465 3.543 . 0 0 "[ . 1 . 2]" 1
19 1 18 ILE QG 1 19 ASP H 5.500 . 5.500 2.603 1.948 3.230 . 0 0 "[ . 1 . 2]" 1
20 1 18 ILE HB 1 19 ASP H 4.140 . 4.140 3.337 2.508 4.048 . 0 0 "[ . 1 . 2]" 1
21 1 17 ARG HA 1 19 ASP H 4.360 . 4.360 4.455 4.323 4.611 0.251 2 0 "[ . 1 . 2]" 1
22 1 19 ASP HA 1 22 PHE HB3 4.230 . 4.230 2.563 2.340 2.832 . 0 0 "[ . 1 . 2]" 1
23 1 19 ASP HA 1 20 ILE HA 4.780 . 4.780 4.820 4.790 4.848 0.068 20 0 "[ . 1 . 2]" 1
24 1 20 ILE HA 1 22 PHE HB3 4.550 . 4.550 4.981 4.843 5.120 0.570 3 4 "[ + * 1 . - *2]" 1
25 1 20 ILE HA 1 23 SER HB3 4.820 . 4.820 3.727 2.819 4.748 . 0 0 "[ . 1 . 2]" 1
26 1 20 ILE HA 1 23 SER H 4.640 . 4.640 3.536 3.389 3.686 . 0 0 "[ . 1 . 2]" 1
27 1 20 ILE H 1 20 ILE MD 5.540 . 5.540 3.362 2.933 3.494 . 0 0 "[ . 1 . 2]" 1
28 1 20 ILE HB 1 21 LEU H 3.880 . 3.880 2.532 2.356 2.657 . 0 0 "[ . 1 . 2]" 1
29 1 20 ILE HG12 1 21 LEU H 4.510 . 4.510 4.579 4.081 5.024 0.514 3 1 "[ + . 1 . 2]" 1
30 1 20 ILE MG 1 21 LEU H 5.300 . 5.300 3.258 3.165 3.447 . 0 0 "[ . 1 . 2]" 1
31 1 20 ILE HA 1 21 LEU H 4.250 . 4.250 3.541 3.503 3.568 . 0 0 "[ . 1 . 2]" 1
32 1 21 LEU HA 1 21 LEU MD1 4.740 . 4.740 2.822 2.034 3.812 . 0 0 "[ . 1 . 2]" 1
33 1 20 ILE HB 1 21 LEU HA 4.340 . 4.340 4.381 4.191 4.518 0.178 8 0 "[ . 1 . 2]" 1
34 1 21 LEU H 1 21 LEU MD1 5.550 . 5.550 3.379 1.934 4.221 . 0 0 "[ . 1 . 2]" 1
35 1 21 LEU HG 1 22 PHE H 4.810 . 4.810 4.464 3.755 5.053 0.243 19 0 "[ . 1 . 2]" 1
36 1 21 LEU MD1 1 22 PHE H 5.840 . 5.840 4.347 3.479 4.811 . 0 0 "[ . 1 . 2]" 1
37 1 22 PHE HA 1 25 ALA H 4.620 . 4.620 3.464 3.341 3.583 . 0 0 "[ . 1 . 2]" 1
38 1 21 LEU QB 1 22 PHE H 5.500 . 5.500 2.632 2.491 2.761 . 0 0 "[ . 1 . 2]" 1
39 1 22 PHE HA 1 69 PHE QE 5.500 . 5.500 5.131 4.439 5.780 0.280 2 0 "[ . 1 . 2]" 1
40 1 22 PHE HA 1 58 TRP HD1 5.500 . 5.500 5.410 5.022 5.577 0.077 12 0 "[ . 1 . 2]" 1
41 1 21 LEU HA 1 23 SER H 4.240 . 4.240 4.402 4.324 4.471 0.231 3 0 "[ . 1 . 2]" 1
42 1 23 SER H 1 26 GLU H 4.760 . 4.760 4.684 4.528 4.826 0.066 15 0 "[ . 1 . 2]" 1
43 1 22 PHE QB 1 23 SER H 5.500 . 5.500 2.495 2.341 2.599 . 0 0 "[ . 1 . 2]" 1
44 1 24 LEU H 1 24 LEU HB3 3.910 . 3.910 3.585 3.554 3.605 . 0 0 "[ . 1 . 2]" 1
45 1 24 LEU H 1 25 ALA H . . 3.980 2.706 2.512 2.803 . 0 0 "[ . 1 . 2]" 1
46 1 23 SER QB 1 24 LEU H 4.330 . 4.330 2.673 2.419 3.382 . 0 0 "[ . 1 . 2]" 1
47 1 24 LEU H 1 24 LEU HG 4.060 . 4.060 2.287 2.206 2.456 . 0 0 "[ . 1 . 2]" 1
48 1 24 LEU H 1 24 LEU MD1 . . 5.290 3.475 3.432 3.531 . 0 0 "[ . 1 . 2]" 1
49 1 23 SER HA 1 24 LEU H 4.120 . 4.120 3.552 3.503 3.579 . 0 0 "[ . 1 . 2]" 1
50 1 23 SER HB3 1 24 LEU HG 4.590 . 4.590 4.093 3.318 5.084 0.494 17 0 "[ . 1 . 2]" 1
51 1 24 LEU HA 1 24 LEU MD2 . . 4.560 2.152 2.070 2.202 . 0 0 "[ . 1 . 2]" 1
52 1 24 LEU HA 1 24 LEU HG 4.270 . 4.270 2.817 2.779 2.894 . 0 0 "[ . 1 . 2]" 1
53 1 24 LEU HA 1 27 ARG QB 4.670 . 4.670 3.077 2.591 3.496 . 0 0 "[ . 1 . 2]" 1
54 1 24 LEU HA 1 27 ARG H . . 4.050 3.532 3.299 3.746 . 0 0 "[ . 1 . 2]" 1
55 1 24 LEU MD2 1 39 TYR QE 6.940 . 6.940 4.914 3.614 5.525 . 0 0 "[ . 1 . 2]" 1
56 1 23 SER HA 1 25 ALA H 4.790 . 4.790 4.516 4.346 4.586 . 0 0 "[ . 1 . 2]" 1
57 1 25 ALA H 1 39 TYR QB 4.730 . 4.730 4.315 4.035 4.623 . 0 0 "[ . 1 . 2]" 1
58 1 24 LEU HG 1 25 ALA H 4.260 . 4.260 4.373 4.325 4.420 0.160 6 0 "[ . 1 . 2]" 1
59 1 24 LEU MD1 1 25 ALA H 5.360 . 5.360 4.420 4.328 4.503 . 0 0 "[ . 1 . 2]" 1
60 1 25 ALA H 1 36 ALA MB 5.710 . 5.710 6.217 5.932 6.509 0.799 10 13 "[* -******+ *** * 2]" 1
61 1 25 ALA HA 1 36 ALA MB . . 5.200 3.898 3.563 4.242 . 0 0 "[ . 1 . 2]" 1
62 1 25 ALA HA 1 36 ALA HA . . 4.280 3.758 3.608 3.919 . 0 0 "[ . 1 . 2]" 1
63 1 25 ALA MB 1 36 ALA HA 5.470 . 5.470 4.265 3.970 4.462 . 0 0 "[ . 1 . 2]" 1
64 1 25 ALA MB 1 40 VAL H 5.040 . 5.040 4.009 3.755 4.301 . 0 0 "[ . 1 . 2]" 1
65 1 25 ALA MB 1 26 GLU HA 5.180 . 5.180 3.784 3.611 3.869 . 0 0 "[ . 1 . 2]" 1
66 1 25 ALA MB 1 40 VAL MG2 6.420 . 6.420 2.209 1.949 2.746 . 0 0 "[ . 1 . 2]" 1
67 1 22 PHE HA 1 25 ALA MB 5.340 . 5.340 2.532 2.361 2.750 . 0 0 "[ . 1 . 2]" 1
68 1 24 LEU QD 1 25 ALA H 6.500 . 6.500 4.037 3.982 4.092 . 0 0 "[ . 1 . 2]" 1
69 1 25 ALA MB 1 69 PHE HA 6.500 . 6.500 5.118 4.638 5.582 . 0 0 "[ . 1 . 2]" 1
70 1 25 ALA MB 1 29 PHE QB 7.000 . 7.000 3.951 3.654 4.526 . 0 0 "[ . 1 . 2]" 1
71 1 25 ALA MB 1 39 TYR QD 7.000 . 7.000 4.549 3.965 4.892 . 0 0 "[ . 1 . 2]" 1
72 1 25 ALA MB 1 29 PHE QD 7.000 . 7.000 4.582 2.871 5.337 . 0 0 "[ . 1 . 2]" 1
73 1 25 ALA MB 1 26 GLU H 5.470 . 5.470 2.544 2.452 2.688 . 0 0 "[ . 1 . 2]" 1
74 1 26 GLU H 1 26 GLU HG3 4.300 . 4.300 4.404 4.379 4.430 0.130 7 0 "[ . 1 . 2]" 1
75 1 26 GLU HA 1 26 GLU HG3 4.180 . 4.180 2.481 2.441 2.525 . 0 0 "[ . 1 . 2]" 1
76 1 26 GLU HG3 1 71 VAL QG 5.570 . 5.570 4.619 3.960 5.237 . 0 0 "[ . 1 . 2]" 1
77 1 26 GLU HG3 1 69 PHE HZ 4.950 . 4.950 4.170 3.597 4.898 . 0 0 "[ . 1 . 2]" 1
78 1 25 ALA HA 1 26 GLU H 5.000 . 5.000 3.544 3.491 3.588 . 0 0 "[ . 1 . 2]" 1
79 1 26 GLU HA 1 71 VAL QG 6.500 . 6.500 5.351 4.345 5.950 . 0 0 "[ . 1 . 2]" 1
80 1 26 GLU H 1 69 PHE QE 5.500 . 5.500 4.465 3.635 5.801 0.301 14 0 "[ . 1 . 2]" 1
81 1 26 GLU HA 1 27 ARG H 3.980 . 3.980 3.586 3.565 3.606 . 0 0 "[ . 1 . 2]" 1
82 1 27 ARG H 1 28 VAL H 4.080 . 4.080 2.747 2.658 2.799 . 0 0 "[ . 1 . 2]" 1
83 1 27 ARG H 1 27 ARG QD 4.770 . 4.770 4.445 3.726 4.735 . 0 0 "[ . 1 . 2]" 1
84 1 27 ARG H 1 27 ARG HG2 4.090 . 4.090 4.289 3.542 4.486 0.396 10 0 "[ . 1 . 2]" 1
85 1 27 ARG H 1 28 VAL HB 4.600 . 4.600 5.125 4.551 5.231 0.631 13 17 "[ * ** ******+*-*****]" 1
86 1 27 ARG HA 1 31 TYR QB 4.800 . 4.800 5.275 4.894 5.797 0.997 5 8 "[ * + * - * . ***]" 1
87 1 27 ARG H 1 27 ARG HG3 4.660 . 4.660 4.045 2.297 4.491 . 0 0 "[ . 1 . 2]" 1
88 1 27 ARG HA 1 27 ARG QD 4.790 . 4.790 4.010 3.947 4.195 . 0 0 "[ . 1 . 2]" 1
89 1 28 VAL H 1 29 PHE H . . 4.100 2.560 2.480 2.622 . 0 0 "[ . 1 . 2]" 1
90 1 28 VAL H 1 28 VAL HB 4.340 . 4.340 2.517 2.106 2.578 . 0 0 "[ . 1 . 2]" 1
91 1 27 ARG QD 1 28 VAL H 5.000 . 5.000 4.564 4.298 5.122 0.122 20 0 "[ . 1 . 2]" 1
92 1 27 ARG HA 1 28 VAL H 4.350 . 4.350 3.557 3.530 3.581 . 0 0 "[ . 1 . 2]" 1
93 1 27 ARG HG2 1 28 VAL H 4.780 . 4.780 3.899 3.568 5.011 0.231 20 0 "[ . 1 . 2]" 1
94 1 27 ARG QB 1 28 VAL HA 4.150 . 4.150 4.066 3.774 4.196 0.046 6 0 "[ . 1 . 2]" 1
95 1 28 VAL MG1 1 36 ALA HA . . 4.830 2.012 1.907 2.109 . 0 0 "[ . 1 . 2]" 1
96 1 28 VAL MG1 1 36 ALA MB . . 5.500 2.122 1.937 2.326 . 0 0 "[ . 1 . 2]" 1
97 1 25 ALA HA 1 28 VAL MG1 4.920 . 4.920 2.053 1.925 3.572 . 0 0 "[ . 1 . 2]" 1
98 1 27 ARG QB 1 28 VAL HB 3.920 . 3.920 4.072 3.922 4.187 0.267 6 0 "[ . 1 . 2]" 1
99 1 28 VAL MG2 1 35 LEU HB3 4.830 . 4.830 2.051 1.917 2.621 . 0 0 "[ . 1 . 2]" 1
100 1 28 VAL MG2 1 35 LEU MD1 5.590 . 5.590 2.581 2.424 2.692 . 0 0 "[ . 1 . 2]" 1
101 1 27 ARG QB 1 28 VAL MG1 5.490 . 5.490 4.030 3.807 5.222 . 0 0 "[ . 1 . 2]" 1
102 1 28 VAL HA 1 35 LEU HB2 4.480 . 4.480 4.722 4.404 4.830 0.350 12 0 "[ . 1 . 2]" 1
103 1 28 VAL MG2 1 32 SER H 5.030 . 5.030 3.305 3.075 4.635 . 0 0 "[ . 1 . 2]" 1
104 1 28 VAL HA 1 35 LEU MD1 5.320 . 5.320 4.463 3.881 4.640 . 0 0 "[ . 1 . 2]" 1
105 1 28 VAL HA 1 35 LEU HB3 4.810 . 4.810 5.069 4.791 5.224 0.414 1 0 "[ . 1 . 2]" 1
106 1 28 VAL MG2 1 35 LEU H 5.580 . 5.580 3.838 3.650 5.212 . 0 0 "[ . 1 . 2]" 1
107 1 28 VAL MG1 1 39 TYR QE 7.100 . 7.100 3.936 3.163 4.644 . 0 0 "[ . 1 . 2]" 1
108 1 28 VAL MG1 1 29 PHE QD 7.370 . 7.370 4.128 2.937 4.668 . 0 0 "[ . 1 . 2]" 1
109 1 24 LEU HA 1 28 VAL QG 6.500 . 6.500 4.430 4.307 4.510 . 0 0 "[ . 1 . 2]" 1
110 1 28 VAL QG 1 35 LEU QD 8.000 . 8.000 2.502 2.297 2.593 . 0 0 "[ . 1 . 2]" 1
111 1 24 LEU QD 1 28 VAL QG 8.000 . 8.000 4.404 4.062 4.570 . 0 0 "[ . 1 . 2]" 1
112 1 28 VAL QG 1 36 ALA MB 8.000 . 8.000 2.056 1.863 2.242 . 0 0 "[ . 1 . 2]" 1
113 1 28 VAL H 1 35 LEU QD 6.500 . 6.500 6.205 5.703 6.308 . 0 0 "[ . 1 . 2]" 1
114 1 24 LEU QD 1 28 VAL H 6.500 . 6.500 4.910 4.742 5.150 . 0 0 "[ . 1 . 2]" 1
115 1 28 VAL HA 1 29 PHE H 4.210 . 4.210 3.467 3.429 3.504 . 0 0 "[ . 1 . 2]" 1
116 1 28 VAL HB 1 29 PHE H 4.380 . 4.380 3.881 2.842 3.992 . 0 0 "[ . 1 . 2]" 1
117 1 29 PHE H 1 30 PRO QG 4.520 . 4.520 4.354 4.278 4.444 . 0 0 "[ . 1 . 2]" 1
118 1 29 PHE H 1 36 ALA MB 5.500 . 5.500 3.245 3.047 3.457 . 0 0 "[ . 1 . 2]" 1
119 1 28 VAL MG1 1 29 PHE HA 5.230 . 5.230 2.963 2.836 3.189 . 0 0 "[ . 1 . 2]" 1
120 1 29 PHE HA 1 36 ALA MB . . 6.500 1.887 1.770 2.136 0.030 7 0 "[ . 1 . 2]" 1
121 1 28 VAL QG 1 29 PHE HA 6.500 . 6.500 2.856 2.776 3.058 . 0 0 "[ . 1 . 2]" 1
122 1 28 VAL QG 1 29 PHE H 6.500 . 6.500 2.155 1.982 2.868 . 0 0 "[ . 1 . 2]" 1
123 1 30 PRO HA 1 30 PRO HG2 3.920 . 3.920 3.875 3.852 3.896 . 0 0 "[ . 1 . 2]" 1
124 1 29 PHE HA 1 30 PRO QD 4.680 . 4.680 3.556 3.508 3.575 . 0 0 "[ . 1 . 2]" 1
125 1 30 PRO HB3 1 31 TYR H 4.240 . 4.240 4.212 4.131 4.277 0.037 5 0 "[ . 1 . 2]" 1
126 1 31 TYR H 1 31 TYR QB 3.850 . 3.850 2.267 2.191 2.398 . 0 0 "[ . 1 . 2]" 1
127 1 31 TYR H 1 32 SER H 3.770 . 3.770 2.614 2.534 2.739 . 0 0 "[ . 1 . 2]" 1
128 1 30 PRO HA 1 31 TYR H 4.200 . 4.200 3.529 3.503 3.565 . 0 0 "[ . 1 . 2]" 1
129 1 30 PRO QD 1 31 TYR H 4.700 . 4.700 2.718 2.546 2.918 . 0 0 "[ . 1 . 2]" 1
130 1 30 PRO QG 1 31 TYR H 4.560 . 4.560 2.527 2.395 2.619 . 0 0 "[ . 1 . 2]" 1
131 1 30 PRO HB2 1 31 TYR H 4.040 . 4.040 3.378 3.332 3.433 . 0 0 "[ . 1 . 2]" 1
132 1 31 TYR H 1 74 ILE MG 5.870 . 5.870 4.396 4.196 4.687 . 0 0 "[ . 1 . 2]" 1
133 1 30 PRO HG2 1 31 TYR HA 4.330 . 4.330 4.287 4.149 4.565 0.235 5 0 "[ . 1 . 2]" 1
134 1 31 TYR HA 1 31 TYR QD 4.470 . 4.470 2.558 2.293 2.831 . 0 0 "[ . 1 . 2]" 1
135 1 28 VAL QG 1 31 TYR H 6.500 . 6.500 4.008 3.865 4.171 . 0 0 "[ . 1 . 2]" 1
136 1 31 TYR HA 1 32 SER H 4.210 . 4.210 3.525 3.482 3.560 . 0 0 "[ . 1 . 2]" 1
137 1 32 SER H 1 32 SER HB3 4.240 . 4.240 3.436 2.891 4.049 . 0 0 "[ . 1 . 2]" 1
138 1 31 TYR HA 1 32 SER HA 4.640 . 4.640 4.667 4.604 4.719 0.079 4 0 "[ . 1 . 2]" 1
139 1 32 SER HA 1 33 PRO QD 4.440 . 4.440 1.999 1.963 2.039 . 0 0 "[ . 1 . 2]" 1
140 1 31 TYR QB 1 32 SER H 5.500 . 5.500 2.527 2.401 2.785 . 0 0 "[ . 1 . 2]" 1
141 1 33 PRO HA 1 36 ALA MB . . 4.900 2.709 2.481 2.936 . 0 0 "[ . 1 . 2]" 1
142 1 33 PRO HD3 1 75 ASN QB 4.560 . 4.560 4.670 4.527 4.801 0.241 14 0 "[ . 1 . 2]" 1
143 1 33 PRO HD2 1 34 GLU HB2 4.740 . 4.740 4.663 4.475 4.772 0.032 17 0 "[ . 1 . 2]" 1
144 1 32 SER H 1 33 PRO HG3 5.100 . 5.100 5.454 5.257 5.654 0.554 7 3 "[ - . + 1 .* 2]" 1
145 1 29 PHE QD 1 33 PRO HA 5.500 . 5.500 3.756 3.199 4.990 . 0 0 "[ . 1 . 2]" 1
146 1 29 PHE QE 1 33 PRO HA 5.500 . 5.500 4.560 4.317 4.954 . 0 0 "[ . 1 . 2]" 1
147 1 34 GLU H 1 34 GLU QG 4.640 . 4.640 2.822 2.130 3.996 . 0 0 "[ . 1 . 2]" 1
148 1 34 GLU H 1 35 LEU H 4.400 . 4.400 2.754 2.630 2.837 . 0 0 "[ . 1 . 2]" 1
149 1 34 GLU H 1 37 LYS QB 4.610 . 4.610 4.543 4.263 4.779 0.169 11 0 "[ . 1 . 2]" 1
150 1 34 GLU HG3 1 35 LEU H 4.640 . 4.640 4.458 3.612 4.763 0.123 19 0 "[ . 1 . 2]" 1
151 1 34 GLU QB 1 35 LEU H 4.510 . 4.510 2.578 2.448 2.715 . 0 0 "[ . 1 . 2]" 1
152 1 34 GLU QG 1 35 LEU H 4.720 . 4.720 3.945 3.478 4.187 . 0 0 "[ . 1 . 2]" 1
153 1 35 LEU H 1 35 LEU MD1 5.470 . 5.470 3.569 3.493 3.616 . 0 0 "[ . 1 . 2]" 1
154 1 35 LEU H 1 36 ALA HA 4.590 . 4.590 5.186 5.105 5.324 0.734 10 20 [*********+********-*] 1
155 1 35 LEU HA 1 35 LEU MD1 4.780 . 4.780 3.806 3.781 3.826 . 0 0 "[ . 1 . 2]" 1
156 1 35 LEU HG 1 36 ALA H 4.850 . 4.850 4.386 4.336 4.538 . 0 0 "[ . 1 . 2]" 1
157 1 28 VAL HB 1 35 LEU MD1 5.010 . 5.010 4.775 4.669 4.973 . 0 0 "[ . 1 . 2]" 1
158 1 31 TYR QB 1 35 LEU MD1 5.030 . 5.030 3.667 2.911 4.099 . 0 0 "[ . 1 . 2]" 1
159 1 32 SER HB3 1 35 LEU MD1 5.220 . 5.220 2.549 2.048 3.303 . 0 0 "[ . 1 . 2]" 1
160 1 36 ALA H 1 37 LYS QB 4.660 . 4.660 4.170 4.038 4.364 . 0 0 "[ . 1 . 2]" 1
161 1 36 ALA HA 1 37 LYS H 4.570 . 4.570 3.491 3.457 3.527 . 0 0 "[ . 1 . 2]" 1
162 1 28 VAL HB 1 36 ALA MB 5.220 . 5.220 4.569 3.996 4.784 . 0 0 "[ . 1 . 2]" 1
163 1 36 ALA MB 1 69 PHE HB3 5.370 . 5.370 4.254 3.573 4.793 . 0 0 "[ . 1 . 2]" 1
164 1 36 ALA MB 1 75 ASN QB 5.850 . 5.850 3.717 3.575 4.043 . 0 0 "[ . 1 . 2]" 1
165 1 29 PHE HB2 1 36 ALA MB 6.640 . 6.640 2.913 2.441 3.783 . 0 0 "[ . 1 . 2]" 1
166 1 36 ALA MB 1 69 PHE H . . 5.570 3.532 2.804 4.016 . 0 0 "[ . 1 . 2]" 1
167 1 36 ALA MB 1 39 TYR HA 6.500 . 6.500 6.317 6.087 6.552 0.052 15 0 "[ . 1 . 2]" 1
168 1 36 ALA MB 1 39 TYR QD 7.000 . 7.000 4.300 3.906 5.128 . 0 0 "[ . 1 . 2]" 1
169 1 25 ALA MB 1 36 ALA MB 8.000 . 8.000 3.759 3.482 3.968 . 0 0 "[ . 1 . 2]" 1
170 1 25 ALA MB 1 36 ALA H 6.500 . 6.500 6.508 6.312 6.582 0.082 10 0 "[ . 1 . 2]" 1
171 1 29 PHE QB 1 36 ALA MB 7.000 . 7.000 2.832 2.410 3.560 . 0 0 "[ . 1 . 2]" 1
172 1 36 ALA MB 1 69 PHE HA 6.500 . 6.500 5.785 5.154 6.272 . 0 0 "[ . 1 . 2]" 1
173 1 29 PHE QD 1 36 ALA MB 7.000 . 7.000 2.556 1.988 3.085 . 0 0 "[ . 1 . 2]" 1
174 1 37 LYS H 1 37 LYS QB 3.790 . 3.790 2.130 2.030 2.214 . 0 0 "[ . 1 . 2]" 1
175 1 37 LYS H 1 38 ARG H 3.940 . 3.940 2.786 2.652 2.957 . 0 0 "[ . 1 . 2]" 1
176 1 37 LYS H 1 40 VAL HB 4.920 . 4.920 5.309 4.445 5.556 0.636 14 7 "[ *- . * +* **]" 1
177 1 36 ALA MB 1 37 LYS H 5.160 . 5.160 2.637 2.569 2.716 . 0 0 "[ . 1 . 2]" 1
178 1 37 LYS H 1 37 LYS QG 4.540 . 4.540 3.916 3.787 3.996 . 0 0 "[ . 1 . 2]" 1
179 1 37 LYS QG 1 94 GLU HB3 4.420 . 4.420 2.619 1.926 3.690 . 0 0 "[ . 1 . 2]" 1
180 1 37 LYS HD2 1 38 ARG HA 4.160 . 4.160 4.287 3.564 5.133 0.973 4 8 "[ +.-* * .* ***]" 1
181 1 37 LYS HD3 1 66 CYS HA 4.560 . 4.560 4.358 2.901 5.246 0.686 17 4 "[* . *-1 . + 2]" 1
182 1 37 LYS HA 1 40 VAL HB 4.270 . 4.270 3.184 2.212 3.524 . 0 0 "[ . 1 . 2]" 1
183 1 37 LYS QB 1 94 GLU HA . . 4.410 4.533 4.085 4.847 0.437 10 0 "[ . 1 . 2]" 1
184 1 38 ARG H 1 39 TYR H 3.800 . 3.800 2.689 2.541 2.840 . 0 0 "[ . 1 . 2]" 1
185 1 37 LYS QB 1 38 ARG H 4.020 . 4.020 2.379 1.993 2.594 . 0 0 "[ . 1 . 2]" 1
186 1 38 ARG H 1 38 ARG HB3 3.800 . 3.800 3.346 2.475 3.595 . 0 0 "[ . 1 . 2]" 1
187 1 38 ARG H 1 38 ARG HD2 4.560 . 4.560 4.326 3.890 4.841 0.281 6 0 "[ . 1 . 2]" 1
188 1 38 ARG H 1 38 ARG QG 4.050 . 4.050 2.650 2.265 3.951 . 0 0 "[ . 1 . 2]" 1
189 1 38 ARG HA 1 40 VAL H 4.380 . 4.380 4.659 4.261 4.840 0.460 6 0 "[ . 1 . 2]" 1
190 1 38 ARG HA 1 38 ARG QD 4.720 . 4.720 3.792 1.942 4.202 . 0 0 "[ . 1 . 2]" 1
191 1 37 LYS HA 1 38 ARG H 5.000 . 5.000 3.573 3.530 3.617 . 0 0 "[ . 1 . 2]" 1
192 1 35 LEU QD 1 38 ARG H 6.500 . 6.500 4.846 4.716 5.059 . 0 0 "[ . 1 . 2]" 1
193 1 38 ARG HB3 1 39 TYR H 4.130 . 4.130 3.328 2.509 3.644 . 0 0 "[ . 1 . 2]" 1
194 1 38 ARG HA 1 39 TYR H 4.100 . 4.100 3.564 3.525 3.594 . 0 0 "[ . 1 . 2]" 1
195 1 37 LYS QB 1 39 TYR H 4.870 . 4.870 4.658 4.523 4.782 . 0 0 "[ . 1 . 2]" 1
196 1 25 ALA MB 1 39 TYR HA 6.500 . 6.500 5.194 4.716 5.643 . 0 0 "[ . 1 . 2]" 1
197 1 40 VAL H 1 41 GLU H . . 4.090 2.697 2.574 2.845 . 0 0 "[ . 1 . 2]" 1
198 1 40 VAL H 1 40 VAL HB 3.830 . 3.830 2.422 2.110 2.539 . 0 0 "[ . 1 . 2]" 1
199 1 40 VAL H 1 41 GLU HB2 4.860 . 4.860 4.927 4.732 5.101 0.241 20 0 "[ . 1 . 2]" 1
200 1 39 TYR QB 1 40 VAL H 4.720 . 4.720 2.638 2.551 2.740 . 0 0 "[ . 1 . 2]" 1
201 1 25 ALA HA 1 40 VAL H 4.950 . 4.950 5.031 4.878 5.284 0.334 18 0 "[ . 1 . 2]" 1
202 1 39 TYR HA 1 40 VAL H 4.090 . 4.090 3.549 3.487 3.577 . 0 0 "[ . 1 . 2]" 1
203 1 40 VAL MG1 1 68 ALA HA 4.920 . 4.920 2.539 2.098 3.236 . 0 0 "[ . 1 . 2]" 1
204 1 40 VAL MG1 1 41 GLU H 5.590 . 5.590 3.362 2.825 3.524 . 0 0 "[ . 1 . 2]" 1
205 1 40 VAL MG2 1 68 ALA HA 5.170 . 5.170 2.175 1.833 2.343 . 0 0 "[ . 1 . 2]" 1
206 1 40 VAL MG2 1 69 PHE HA 5.370 . 5.370 3.621 2.930 4.385 . 0 0 "[ . 1 . 2]" 1
207 1 40 VAL MG2 1 69 PHE HB2 5.460 . 5.460 3.002 2.488 3.695 . 0 0 "[ . 1 . 2]" 1
208 1 40 VAL MG1 1 41 GLU HB2 5.450 . 5.450 4.665 4.120 5.138 . 0 0 "[ . 1 . 2]" 1
209 1 40 VAL MG1 1 62 TYR HB3 5.350 . 5.350 3.649 2.858 4.416 . 0 0 "[ . 1 . 2]" 1
210 1 40 VAL MG2 1 62 TYR HB3 5.450 . 5.450 4.680 3.830 5.311 . 0 0 "[ . 1 . 2]" 1
211 1 40 VAL MG2 1 68 ALA MB 6.760 . 6.760 3.233 2.382 3.626 . 0 0 "[ . 1 . 2]" 1
212 1 40 VAL MG2 1 62 TYR HA 5.900 . 5.900 5.064 4.498 5.509 . 0 0 "[ . 1 . 2]" 1
213 1 40 VAL MG2 1 41 GLU HA 5.750 . 5.750 5.384 5.308 5.460 . 0 0 "[ . 1 . 2]" 1
214 1 40 VAL MG2 1 67 HIS HB3 5.620 . 5.620 5.049 4.559 5.492 . 0 0 "[ . 1 . 2]" 1
215 1 40 VAL MG2 1 41 GLU H 5.380 . 5.380 4.015 3.888 4.128 . 0 0 "[ . 1 . 2]" 1
216 1 40 VAL MG2 1 67 HIS HA 5.610 . 5.610 5.246 4.927 5.457 . 0 0 "[ . 1 . 2]" 1
217 1 40 VAL HA 1 43 ALA MB . . 6.000 2.288 2.056 2.502 . 0 0 "[ . 1 . 2]" 1
218 1 40 VAL MG2 1 62 TYR QD 7.010 . 7.010 5.285 4.307 5.868 . 0 0 "[ . 1 . 2]" 1
219 1 40 VAL QG 1 62 TYR H 6.500 . 6.500 5.840 5.372 6.489 . 0 0 "[ . 1 . 2]" 1
220 1 40 VAL QG 1 62 TYR QD 7.000 . 7.000 3.512 2.566 4.088 . 0 0 "[ . 1 . 2]" 1
221 1 40 VAL QG 1 62 TYR HA 6.500 . 6.500 4.257 3.792 4.811 . 0 0 "[ . 1 . 2]" 1
222 1 40 VAL QG 1 44 LEU QD 8.000 . 8.000 2.059 1.825 3.113 . 0 0 "[ . 1 . 2]" 1
223 1 40 VAL QG 1 66 CYS H 6.500 . 6.500 6.160 5.382 6.523 0.023 11 0 "[ . 1 . 2]" 1
224 1 40 VAL QG 1 68 ALA HA 6.500 . 6.500 2.047 1.724 2.287 0.076 18 0 "[ . 1 . 2]" 1
225 1 40 VAL QG 1 62 TYR QE 7.000 . 7.000 4.971 3.961 5.613 . 0 0 "[ . 1 . 2]" 1
226 1 40 VAL QG 1 41 GLU H 6.500 . 6.500 3.195 2.780 3.320 . 0 0 "[ . 1 . 2]" 1
227 1 40 VAL QG 1 68 ALA MB 8.000 . 8.000 3.054 2.215 3.404 . 0 0 "[ . 1 . 2]" 1
228 1 41 GLU H 1 41 GLU HB3 4.030 . 4.030 3.102 2.423 3.657 . 0 0 "[ . 1 . 2]" 1
229 1 40 VAL HB 1 41 GLU H 3.940 . 3.940 2.768 2.644 2.912 . 0 0 "[ . 1 . 2]" 1
230 1 41 GLU H 1 41 GLU HB2 4.020 . 4.020 2.469 2.377 2.616 . 0 0 "[ . 1 . 2]" 1
231 1 41 GLU H 1 42 LEU HG 4.610 . 4.610 6.417 6.222 6.642 2.032 17 20 [*******-********+***] 1
232 1 41 GLU H 1 43 ALA MB 5.750 . 5.750 4.651 4.454 4.847 . 0 0 "[ . 1 . 2]" 1
233 1 41 GLU HA 1 44 LEU QD 6.500 . 6.500 3.109 2.582 3.741 . 0 0 "[ . 1 . 2]" 1
234 1 42 LEU HG 1 43 ALA HA 4.240 . 4.240 3.432 3.261 3.549 . 0 0 "[ . 1 . 2]" 1
235 1 42 LEU H 1 42 LEU HG 4.420 . 4.420 4.352 4.305 4.434 0.014 7 0 "[ . 1 . 2]" 1
236 1 42 LEU MD1 1 43 ALA HA . . 5.100 4.412 4.221 4.656 . 0 0 "[ . 1 . 2]" 1
237 1 42 LEU H 1 42 LEU MD2 4.940 . 4.940 4.123 4.060 4.232 . 0 0 "[ . 1 . 2]" 1
238 1 42 LEU HA 1 42 LEU MD1 . . 4.580 2.088 1.997 2.245 . 0 0 "[ . 1 . 2]" 1
239 1 42 LEU H 1 42 LEU MD1 5.290 . 5.290 4.086 4.016 4.135 . 0 0 "[ . 1 . 2]" 1
240 1 21 LEU HG 1 42 LEU MD2 4.780 . 4.780 4.466 3.317 5.031 0.251 6 0 "[ . 1 . 2]" 1
241 1 39 TYR QE 1 42 LEU MD2 6.710 . 6.710 4.069 3.606 4.819 . 0 0 "[ . 1 . 2]" 1
242 1 41 GLU H 1 42 LEU H 5.000 . 5.000 2.473 2.313 2.644 . 0 0 "[ . 1 . 2]" 1
243 1 43 ALA H 1 44 LEU H 4.130 . 4.130 2.708 2.478 2.899 . 0 0 "[ . 1 . 2]" 1
244 1 43 ALA H 1 44 LEU HB2 4.840 . 4.840 4.681 4.478 4.831 . 0 0 "[ . 1 . 2]" 1
245 1 42 LEU HG 1 43 ALA H 3.840 . 3.840 3.472 3.286 3.700 . 0 0 "[ . 1 . 2]" 1
246 1 42 LEU MD1 1 43 ALA H 5.290 . 5.290 4.357 4.294 4.453 . 0 0 "[ . 1 . 2]" 1
247 1 40 VAL HA 1 43 ALA H 4.130 . 4.130 2.918 2.734 3.153 . 0 0 "[ . 1 . 2]" 1
248 1 42 LEU HA 1 43 ALA H 4.110 . 4.110 3.594 3.554 3.638 . 0 0 "[ . 1 . 2]" 1
249 1 43 ALA H 1 44 LEU MD2 5.940 . 5.940 4.907 3.591 6.070 0.130 17 0 "[ . 1 . 2]" 1
250 1 43 ALA MB 1 44 LEU HA 5.300 . 5.300 3.809 3.686 3.943 . 0 0 "[ . 1 . 2]" 1
251 1 21 LEU HB2 1 43 ALA HA 4.800 . 4.800 4.412 3.437 5.099 0.299 20 0 "[ . 1 . 2]" 1
252 1 43 ALA HA 1 46 VAL HB 4.440 . 4.440 2.385 2.087 2.676 . 0 0 "[ . 1 . 2]" 1
253 1 21 LEU MD1 1 43 ALA MB 5.800 . 5.800 3.408 2.105 4.619 . 0 0 "[ . 1 . 2]" 1
254 1 21 LEU HB2 1 43 ALA MB 5.290 . 5.290 3.658 2.870 4.856 . 0 0 "[ . 1 . 2]" 1
255 1 43 ALA MB 1 44 LEU MD1 . . 5.980 3.457 2.324 4.793 . 0 0 "[ . 1 . 2]" 1
256 1 21 LEU HG 1 43 ALA MB 5.590 . 5.590 3.785 2.576 4.826 . 0 0 "[ . 1 . 2]" 1
257 1 42 LEU MD1 1 43 ALA MB 5.790 . 5.790 5.028 4.916 5.209 . 0 0 "[ . 1 . 2]" 1
258 1 43 ALA HA 1 44 LEU H 4.330 . 4.330 3.555 3.518 3.588 . 0 0 "[ . 1 . 2]" 1
259 1 44 LEU H 1 45 LEU H 4.000 . 4.000 2.753 2.614 2.908 . 0 0 "[ . 1 . 2]" 1
260 1 44 LEU H 1 44 LEU HB2 4.020 . 4.020 2.278 2.213 2.543 . 0 0 "[ . 1 . 2]" 1
261 1 44 LEU H 1 45 LEU HB2 4.640 . 4.640 4.884 4.537 5.143 0.503 1 2 "[+ - 1 . 2]" 1
262 1 44 LEU H 1 44 LEU HB3 3.710 . 3.710 3.488 2.459 3.570 . 0 0 "[ . 1 . 2]" 1
263 1 43 ALA MB 1 44 LEU H 5.450 . 5.450 2.592 2.484 2.713 . 0 0 "[ . 1 . 2]" 1
264 1 44 LEU H 1 44 LEU MD1 . . 5.260 3.012 1.890 4.180 . 0 0 "[ . 1 . 2]" 1
265 1 44 LEU H 1 44 LEU MD2 5.470 . 5.470 3.050 1.933 4.239 . 0 0 "[ . 1 . 2]" 1
266 1 42 LEU MD1 1 44 LEU H 5.610 . 5.610 5.551 5.403 5.760 0.150 7 0 "[ . 1 . 2]" 1
267 1 44 LEU HA 1 44 LEU MD1 4.530 . 4.530 2.374 2.017 2.816 . 0 0 "[ . 1 . 2]" 1
268 1 44 LEU HA 1 47 GLN HB2 3.890 . 3.890 3.065 2.793 3.398 . 0 0 "[ . 1 . 2]" 1
269 1 44 LEU MD1 1 47 GLN HE22 5.790 . 5.790 4.595 3.957 5.137 . 0 0 "[ . 1 . 2]" 1
270 1 44 LEU MD2 1 67 HIS HB3 5.620 . 5.620 2.768 2.052 4.462 . 0 0 "[ . 1 . 2]" 1
271 1 44 LEU HA 1 46 VAL HB 4.480 . 4.480 5.014 4.914 5.080 0.600 7 15 "[ *****+ **-** ** **2]" 1
272 1 44 LEU MD1 1 58 TRP HB3 5.530 . 5.530 3.547 2.988 4.382 . 0 0 "[ . 1 . 2]" 1
273 1 43 ALA MB 1 44 LEU MD2 6.440 . 6.440 3.717 2.297 5.215 . 0 0 "[ . 1 . 2]" 1
274 1 44 LEU MD2 1 58 TRP HB3 5.440 . 5.440 4.136 3.154 4.958 . 0 0 "[ . 1 . 2]" 1
275 1 44 LEU MD2 1 45 LEU H 6.160 . 6.160 4.420 4.028 4.758 . 0 0 "[ . 1 . 2]" 1
276 1 44 LEU MD2 1 58 TRP HZ3 6.050 . 6.050 5.139 4.341 5.891 . 0 0 "[ . 1 . 2]" 1
277 1 44 LEU MD1 1 62 TYR QE 6.610 . 6.610 3.463 2.150 5.281 . 0 0 "[ . 1 . 2]" 1
278 1 44 LEU MD2 1 62 TYR QD 7.080 . 7.080 2.928 2.244 4.297 . 0 0 "[ . 1 . 2]" 1
279 1 43 ALA H 1 44 LEU QD 6.500 . 6.500 3.847 3.565 5.415 . 0 0 "[ . 1 . 2]" 1
280 1 44 LEU QD 1 47 GLN QE 7.000 . 7.000 4.114 3.624 4.592 . 0 0 "[ . 1 . 2]" 1
281 1 45 LEU H 1 45 LEU HB2 3.580 . 3.580 2.408 2.267 2.564 . 0 0 "[ . 1 . 2]" 1
282 1 45 LEU H 1 46 VAL HB 4.270 . 4.270 4.710 4.537 4.792 0.522 16 2 "[ . 1 - .+ 2]" 1
283 1 44 LEU HB2 1 45 LEU H 4.130 . 4.130 2.822 2.636 3.856 . 0 0 "[ . 1 . 2]" 1
284 1 45 LEU H 1 45 LEU MD2 5.180 . 5.180 3.955 3.521 4.328 . 0 0 "[ . 1 . 2]" 1
285 1 44 LEU MD1 1 45 LEU H 5.740 . 5.740 4.384 4.074 4.791 . 0 0 "[ . 1 . 2]" 1
286 1 45 LEU HA 1 48 GLN HB3 4.400 . 4.400 4.341 4.043 4.613 0.213 15 0 "[ . 1 . 2]" 1
287 1 45 LEU MD1 1 48 GLN HE22 5.600 . 5.600 3.832 2.484 5.045 . 0 0 "[ . 1 . 2]" 1
288 1 45 LEU HA 1 45 LEU HG 3.720 . 3.720 2.657 2.278 3.132 . 0 0 "[ . 1 . 2]" 1
289 1 45 LEU H 1 46 VAL H . . 4.150 2.703 2.584 2.787 . 0 0 "[ . 1 . 2]" 1
290 1 45 LEU HB2 1 46 VAL H 3.910 . 3.910 3.104 2.577 3.889 . 0 0 "[ . 1 . 2]" 1
291 1 45 LEU HA 1 46 VAL H 4.260 . 4.260 3.539 3.512 3.570 . 0 0 "[ . 1 . 2]" 1
292 1 46 VAL H 1 47 GLN H 4.140 . 4.140 2.714 2.641 2.797 . 0 0 "[ . 1 . 2]" 1
293 1 46 VAL H 1 46 VAL HB 3.970 . 3.970 2.397 2.364 2.438 . 0 0 "[ . 1 . 2]" 1
294 1 46 VAL H 1 46 VAL MG1 . . 4.800 3.735 3.720 3.761 . 0 0 "[ . 1 . 2]" 1
295 1 18 ILE HG13 1 46 VAL MG1 5.370 . 5.370 3.519 2.296 4.999 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU HB2 1 46 VAL MG1 5.280 . 5.280 4.476 3.947 4.874 . 0 0 "[ . 1 . 2]" 1
297 1 46 VAL HA 1 47 GLN H 4.260 . 4.260 3.554 3.515 3.577 . 0 0 "[ . 1 . 2]" 1
298 1 47 GLN H 1 47 GLN HB3 3.740 . 3.740 2.498 2.449 2.581 . 0 0 "[ . 1 . 2]" 1
299 1 45 LEU HA 1 47 GLN H 4.040 . 4.040 4.359 4.248 4.511 0.471 13 0 "[ . 1 . 2]" 1
300 1 47 GLN H 1 48 GLN QG 4.560 . 4.560 3.996 3.886 4.107 . 0 0 "[ . 1 . 2]" 1
301 1 47 GLN H 1 47 GLN QG 4.560 . 4.560 3.939 3.912 3.959 . 0 0 "[ . 1 . 2]" 1
302 1 46 VAL HB 1 47 GLN H 3.950 . 3.950 2.654 2.573 2.723 . 0 0 "[ . 1 . 2]" 1
303 1 45 LEU H 1 47 GLN H 4.440 . 4.440 4.050 3.876 4.198 . 0 0 "[ . 1 . 2]" 1
304 1 47 GLN HE22 1 57 LYS QB 4.910 . 4.910 5.160 3.973 5.403 0.493 15 0 "[ . 1 . 2]" 1
305 1 47 GLN HE21 1 57 LYS QB 4.850 . 4.850 5.225 4.181 5.479 0.629 17 5 "[* *. - * + 2]" 1
306 1 47 GLN HA 1 52 VAL MG2 . . 4.830 2.595 2.301 3.329 . 0 0 "[ . 1 . 2]" 1
307 1 47 GLN HA 1 50 ALA MB . . 5.340 2.780 2.550 3.033 . 0 0 "[ . 1 . 2]" 1
308 1 47 GLN HG2 1 48 GLN HA 4.700 . 4.700 3.652 3.470 3.807 . 0 0 "[ . 1 . 2]" 1
309 1 18 ILE MG 1 47 GLN HG3 5.900 . 5.900 4.179 3.779 4.565 . 0 0 "[ . 1 . 2]" 1
310 1 18 ILE HG12 1 47 GLN HG3 4.980 . 4.980 4.621 3.230 5.167 0.187 18 0 "[ . 1 . 2]" 1
311 1 47 GLN QG 1 52 VAL MG2 . . 6.260 2.309 1.900 3.698 . 0 0 "[ . 1 . 2]" 1
312 1 47 GLN QG 1 48 GLN H 5.040 . 5.040 3.461 3.372 3.524 . 0 0 "[ . 1 . 2]" 1
313 1 47 GLN H 1 52 VAL QG 6.500 . 6.500 4.800 4.489 5.470 . 0 0 "[ . 1 . 2]" 1
314 1 48 GLN H 1 48 GLN HB3 3.920 . 3.920 2.507 2.410 2.578 . 0 0 "[ . 1 . 2]" 1
315 1 47 GLN H 1 48 GLN H 4.350 . 4.350 2.827 2.727 2.959 . 0 0 "[ . 1 . 2]" 1
316 1 48 GLN H 1 48 GLN QG 4.140 . 4.140 2.132 2.015 2.233 . 0 0 "[ . 1 . 2]" 1
317 1 48 GLN HA 1 48 GLN QG . . 3.900 3.322 3.295 3.336 . 0 0 "[ . 1 . 2]" 1
318 1 48 GLN QG 1 49 LYS H 4.310 . 4.310 1.991 1.818 2.150 . 0 0 "[ . 1 . 2]" 1
319 1 48 GLN QG 1 49 LYS HB2 4.600 . 4.600 3.588 2.566 3.989 . 0 0 "[ . 1 . 2]" 1
320 1 48 GLN QG 1 49 LYS HA 4.340 . 4.340 3.234 3.049 3.382 . 0 0 "[ . 1 . 2]" 1
321 1 48 GLN QG 1 49 LYS HD3 4.540 . 4.540 4.230 3.167 5.125 0.585 17 3 "[ . 1 -*. + 2]" 1
322 1 47 GLN HB3 1 48 GLN HB3 4.080 . 4.080 4.166 4.070 4.248 0.168 2 0 "[ . 1 . 2]" 1
323 1 48 GLN HA 1 51 LYS HG3 5.010 . 5.010 4.621 3.837 5.944 0.934 15 3 "[ * . 1 - + 2]" 1
324 1 48 GLN HB3 1 49 LYS H 4.240 . 4.240 3.880 3.742 4.018 . 0 0 "[ . 1 . 2]" 1
325 1 49 LYS H 1 49 LYS HB3 4.020 . 4.020 3.401 2.378 3.609 . 0 0 "[ . 1 . 2]" 1
326 1 49 LYS H 1 49 LYS HG2 4.200 . 4.200 3.134 2.191 4.416 0.216 17 0 "[ . 1 . 2]" 1
327 1 49 LYS HB3 1 50 ALA MB 4.570 . 4.570 4.486 3.832 4.667 0.097 9 0 "[ . 1 . 2]" 1
328 1 49 LYS HB3 1 50 ALA HA 4.420 . 4.420 4.469 4.370 4.581 0.161 12 0 "[ . 1 . 2]" 1
329 1 50 ALA MB 1 52 VAL H 5.320 . 5.320 3.371 3.094 3.624 . 0 0 "[ . 1 . 2]" 1
330 1 50 ALA MB 1 52 VAL HA 5.500 . 5.500 4.811 4.548 4.997 . 0 0 "[ . 1 . 2]" 1
331 1 50 ALA MB 1 52 VAL MG1 5.440 . 5.440 2.693 2.347 3.899 . 0 0 "[ . 1 . 2]" 1
332 1 50 ALA MB 1 52 VAL HB 5.350 . 5.350 4.430 3.602 4.738 . 0 0 "[ . 1 . 2]" 1
333 1 49 LYS H 1 50 ALA MB 5.100 . 5.100 4.379 4.282 4.473 . 0 0 "[ . 1 . 2]" 1
334 1 50 ALA MB 1 52 VAL QG 8.000 . 8.000 2.015 1.775 2.198 0.025 2 0 "[ . 1 . 2]" 1
335 1 48 GLN HA 1 51 LYS QB 4.550 . 4.550 4.983 4.594 5.185 0.635 9 10 "[ * * * +- *** * *2]" 1
336 1 51 LYS HA 1 51 LYS HD2 . . 4.110 4.061 2.974 4.600 0.490 10 0 "[ . 1 . 2]" 1
337 1 51 LYS H 1 51 LYS HG2 4.570 . 4.570 4.308 2.636 4.743 0.173 11 0 "[ . 1 . 2]" 1
338 1 51 LYS HA 1 52 VAL MG2 . . 5.000 4.157 3.884 4.297 . 0 0 "[ . 1 . 2]" 1
339 1 51 LYS H 1 52 VAL H . . 4.370 2.986 2.865 3.222 . 0 0 "[ . 1 . 2]" 1
340 1 51 LYS QG 1 52 VAL QG 7.000 . 7.000 4.651 4.387 4.846 . 0 0 "[ . 1 . 2]" 1
341 1 48 GLN HA 1 52 VAL H 4.250 . 4.250 4.072 3.780 4.259 0.009 15 0 "[ . 1 . 2]" 1
342 1 52 VAL H 1 52 VAL HB 3.910 . 3.910 3.602 2.791 3.819 . 0 0 "[ . 1 . 2]" 1
343 1 50 ALA MB 1 52 VAL MG2 5.490 . 5.490 2.147 1.778 2.526 0.022 2 0 "[ . 1 . 2]" 1
344 1 52 VAL MG1 1 53 LYS H 5.410 . 5.410 3.632 2.392 3.940 . 0 0 "[ . 1 . 2]" 1
345 1 50 ALA HA 1 52 VAL MG2 5.890 . 5.890 4.487 3.522 4.953 . 0 0 "[ . 1 . 2]" 1
346 1 18 ILE HB 1 52 VAL MG2 5.650 . 5.650 3.470 2.469 4.375 . 0 0 "[ . 1 . 2]" 1
347 1 50 ALA HA 1 52 VAL MG1 5.840 . 5.840 4.448 3.938 6.112 0.272 17 0 "[ . 1 . 2]" 1
348 1 50 ALA H 1 52 VAL MG2 5.450 . 5.450 4.122 3.654 4.532 . 0 0 "[ . 1 . 2]" 1
349 1 47 GLN QB 1 52 VAL MG2 6.400 . 6.400 3.725 3.385 4.781 . 0 0 "[ . 1 . 2]" 1
350 1 51 LYS QG 1 52 VAL H 5.500 . 5.500 4.279 3.984 4.782 . 0 0 "[ . 1 . 2]" 1
351 1 51 LYS HA 1 52 VAL H 5.000 . 5.000 2.583 2.493 2.693 . 0 0 "[ . 1 . 2]" 1
352 1 50 ALA H 1 52 VAL QG 6.500 . 6.500 3.935 3.632 4.165 . 0 0 "[ . 1 . 2]" 1
353 1 51 LYS QB 1 52 VAL H 5.500 . 5.500 3.971 3.909 4.041 . 0 0 "[ . 1 . 2]" 1
354 1 47 GLN QG 1 52 VAL QG 7.000 . 7.000 2.279 1.898 3.467 . 0 0 "[ . 1 . 2]" 1
355 1 47 GLN HA 1 52 VAL QG 6.500 . 6.500 2.580 2.293 3.286 . 0 0 "[ . 1 . 2]" 1
356 1 47 GLN QG 1 52 VAL H 5.500 . 5.500 3.131 2.683 3.483 . 0 0 "[ . 1 . 2]" 1
357 1 48 GLN HA 1 52 VAL QG 6.500 . 6.500 4.746 4.278 5.273 . 0 0 "[ . 1 . 2]" 1
358 1 47 GLN HG2 1 53 LYS HA 4.990 . 4.990 4.783 4.446 5.301 0.311 17 0 "[ . 1 . 2]" 1
359 1 53 LYS HA 1 54 ILE H 4.330 . 4.330 2.141 2.097 2.187 . 0 0 "[ . 1 . 2]" 1
360 1 54 ILE H 1 54 ILE HB 4.190 . 4.190 3.249 2.486 3.838 . 0 0 "[ . 1 . 2]" 1
361 1 53 LYS HB3 1 54 ILE H 4.420 . 4.420 3.469 2.859 4.291 . 0 0 "[ . 1 . 2]" 1
362 1 54 ILE H 1 54 ILE HG13 4.250 . 4.250 2.943 2.092 4.123 . 0 0 "[ . 1 . 2]" 1
363 1 54 ILE H 1 54 ILE MD . . 5.640 3.628 2.474 4.415 . 0 0 "[ . 1 . 2]" 1
364 1 54 ILE HG12 1 58 TRP HB2 4.460 . 4.460 4.205 3.390 4.813 0.353 17 0 "[ . 1 . 2]" 1
365 1 54 ILE HA 1 54 ILE HG12 4.310 . 4.310 3.334 2.318 3.698 . 0 0 "[ . 1 . 2]" 1
366 1 47 GLN HE22 1 54 ILE MD 5.140 . 5.140 2.491 2.058 3.022 . 0 0 "[ . 1 . 2]" 1
367 1 52 VAL HB 1 54 ILE HG12 4.880 . 4.880 4.610 3.566 5.049 0.169 3 0 "[ . 1 . 2]" 1
368 1 47 GLN HE21 1 54 ILE MG 4.930 . 4.930 3.783 3.344 4.176 . 0 0 "[ . 1 . 2]" 1
369 1 47 GLN HG3 1 54 ILE MD 4.800 . 4.800 3.095 2.269 3.591 . 0 0 "[ . 1 . 2]" 1
370 1 52 VAL H 1 54 ILE MD 5.450 . 5.450 5.512 4.080 6.177 0.727 18 6 "[ *-* * 1 * + 2]" 1
371 1 18 ILE HG12 1 54 ILE MD 5.210 . 5.210 3.837 2.760 4.623 . 0 0 "[ . 1 . 2]" 1
372 1 54 ILE MD 1 59 LYS HB2 5.130 . 5.130 5.416 4.455 5.790 0.660 3 6 "[ *+ . * 1 *. * -2]" 1
373 1 54 ILE MG 1 57 LYS QB 4.890 . 4.890 2.409 1.823 3.611 . 0 0 "[ . 1 . 2]" 1
374 1 54 ILE MG 1 58 TRP H 5.360 . 5.360 3.352 1.561 4.981 0.239 4 0 "[ . 1 . 2]" 1
375 1 47 GLN QE 1 54 ILE QG 6.000 . 6.000 1.978 1.722 2.479 0.078 13 0 "[ . 1 . 2]" 1
376 1 44 LEU QD 1 54 ILE QG 7.000 . 7.000 5.259 4.848 5.726 . 0 0 "[ . 1 . 2]" 1
377 1 44 LEU QD 1 54 ILE MD 8.000 . 8.000 4.914 4.288 5.906 . 0 0 "[ . 1 . 2]" 1
378 1 47 GLN HA 1 54 ILE MD 6.500 . 6.500 4.865 4.203 5.371 . 0 0 "[ . 1 . 2]" 1
379 1 57 LYS HA 1 57 LYS HG2 4.070 . 4.070 2.515 2.356 3.032 . 0 0 "[ . 1 . 2]" 1
380 1 57 LYS HA 1 57 LYS QD 4.260 . 4.260 3.958 3.922 4.002 . 0 0 "[ . 1 . 2]" 1
381 1 57 LYS QB 1 57 LYS HE3 4.470 . 4.470 3.910 2.142 4.251 . 0 0 "[ . 1 . 2]" 1
382 1 57 LYS QB 1 58 TRP HB2 4.290 . 4.290 3.785 3.537 4.013 . 0 0 "[ . 1 . 2]" 1
383 1 57 LYS HA 1 60 ARG HB2 . . 4.570 4.926 4.770 5.101 0.531 11 2 "[ . -1+ . 2]" 1
384 1 19 ASP HA 1 57 LYS QD 4.710 . 4.710 4.557 4.090 5.525 0.815 5 2 "[ + -1 . 2]" 1
385 1 58 TRP H 1 59 LYS HA 4.890 . 4.890 4.617 4.454 4.752 . 0 0 "[ . 1 . 2]" 1
386 1 57 LYS HA 1 58 TRP H 4.280 . 4.280 3.579 3.521 3.632 . 0 0 "[ . 1 . 2]" 1
387 1 58 TRP H 1 59 LYS HB2 3.970 . 3.970 4.082 3.911 4.187 0.217 1 0 "[ . 1 . 2]" 1
388 1 57 LYS HG3 1 58 TRP H 4.870 . 4.870 4.532 4.427 4.617 . 0 0 "[ . 1 . 2]" 1
389 1 54 ILE HG13 1 58 TRP H 4.780 . 4.780 3.814 2.097 5.228 0.448 14 0 "[ . 1 . 2]" 1
390 1 54 ILE MD 1 58 TRP H 5.550 . 5.550 3.100 1.846 4.966 . 0 0 "[ . 1 . 2]" 1
391 1 58 TRP HA 1 61 ARG HB3 4.620 . 4.620 4.219 1.986 4.579 . 0 0 "[ . 1 . 2]" 1
392 1 58 TRP HA 1 59 LYS H 4.160 . 4.160 3.478 3.438 3.519 . 0 0 "[ . 1 . 2]" 1
393 1 57 LYS QG 1 58 TRP H 5.500 . 5.500 4.193 3.406 4.312 . 0 0 "[ . 1 . 2]" 1
394 1 57 LYS QB 1 58 TRP H 5.500 . 5.500 2.595 2.302 2.812 . 0 0 "[ . 1 . 2]" 1
395 1 59 LYS H 1 60 ARG HA 4.380 . 4.380 5.332 5.273 5.381 1.001 12 20 [***-*******+********] 1
396 1 59 LYS H 1 59 LYS HB2 3.650 . 3.650 2.424 2.277 2.528 . 0 0 "[ . 1 . 2]" 1
397 1 59 LYS H 1 60 ARG HG2 4.010 . 4.010 4.503 4.404 4.588 0.578 15 8 "[* *.* 1*- + **]" 1
398 1 54 ILE MD 1 59 LYS H 6.200 . 6.200 4.247 2.753 5.609 . 0 0 "[ . 1 . 2]" 1
399 1 59 LYS H 1 62 TYR H 4.920 . 4.920 5.982 5.762 6.162 1.242 1 20 [+***-***************] 1
400 1 59 LYS HA 1 60 ARG HG2 4.670 . 4.670 4.853 4.774 5.023 0.353 5 0 "[ . 1 . 2]" 1
401 1 57 LYS HA 1 59 LYS H 5.000 . 5.000 4.879 4.600 5.096 0.096 16 0 "[ . 1 . 2]" 1
402 1 60 ARG HA 1 60 ARG HG3 4.250 . 4.250 3.703 3.674 3.728 . 0 0 "[ . 1 . 2]" 1
403 1 60 ARG HA 1 60 ARG HG2 . . 3.940 2.906 2.834 2.971 . 0 0 "[ . 1 . 2]" 1
404 1 61 ARG H 1 62 TYR H . . 3.900 2.612 2.401 2.854 . 0 0 "[ . 1 . 2]" 1
405 1 61 ARG H 1 62 TYR HB3 4.870 . 4.870 4.127 3.613 4.626 . 0 0 "[ . 1 . 2]" 1
406 1 60 ARG HA 1 61 ARG H 3.670 . 3.670 3.277 3.243 3.378 . 0 0 "[ . 1 . 2]" 1
407 1 61 ARG H 1 61 ARG HG3 4.160 . 4.160 3.119 2.823 4.512 0.352 11 0 "[ . 1 . 2]" 1
408 1 61 ARG HA 1 70 LEU HG 4.740 . 4.740 5.280 4.946 5.486 0.746 18 14 "[* ***- 1*******+ *]" 1
409 1 61 ARG HA 1 70 LEU QB 5.110 . 5.110 3.168 2.791 3.881 . 0 0 "[ . 1 . 2]" 1
410 1 59 LYS QG 1 61 ARG H 5.500 . 5.500 5.193 4.926 5.433 . 0 0 "[ . 1 . 2]" 1
411 1 62 TYR H 1 63 CYS H . . 4.330 4.441 4.392 4.482 0.152 7 0 "[ . 1 . 2]" 1
412 1 61 ARG HA 1 62 TYR H 3.930 . 3.930 3.034 2.859 3.168 . 0 0 "[ . 1 . 2]" 1
413 1 60 ARG HA 1 62 TYR H 3.810 . 3.810 3.905 3.741 3.979 0.169 20 0 "[ . 1 . 2]" 1
414 1 62 TYR H 1 62 TYR HB3 3.970 . 3.970 3.183 2.936 3.457 . 0 0 "[ . 1 . 2]" 1
415 1 61 ARG HG3 1 62 TYR H 4.640 . 4.640 4.978 4.860 5.153 0.513 11 1 "[ . 1+ . 2]" 1
416 1 62 TYR H 1 70 LEU MD2 5.480 . 5.480 4.592 4.075 5.404 . 0 0 "[ . 1 . 2]" 1
417 1 58 TRP HZ3 1 62 TYR H 4.480 . 4.480 5.097 4.937 5.231 0.751 15 19 "[***** ******-*+*****]" 1
418 1 62 TYR HA 1 70 LEU HB2 4.710 . 4.710 2.567 2.140 2.992 . 0 0 "[ . 1 . 2]" 1
419 1 62 TYR HA 1 63 CYS H . . 4.540 2.290 2.174 2.364 . 0 0 "[ . 1 . 2]" 1
420 1 62 TYR HA 1 70 LEU HG 4.910 . 4.910 4.782 4.146 5.049 0.139 11 0 "[ . 1 . 2]" 1
421 1 40 VAL MG1 1 62 TYR HA 6.050 . 6.050 4.589 4.000 5.389 . 0 0 "[ . 1 . 2]" 1
422 1 44 LEU QD 1 62 TYR H 6.500 . 6.500 5.944 5.179 6.527 0.027 4 0 "[ . 1 . 2]" 1
423 1 61 ARG QB 1 62 TYR H 5.500 . 5.500 3.819 3.718 3.920 . 0 0 "[ . 1 . 2]" 1
424 1 62 TYR HB3 1 63 CYS H 4.210 . 4.210 3.848 3.491 4.071 . 0 0 "[ . 1 . 2]" 1
425 1 63 CYS H 1 68 ALA MB . . 5.550 3.699 3.107 4.049 . 0 0 "[ . 1 . 2]" 1
426 1 63 CYS H 1 70 LEU MD2 . . 5.580 2.960 2.096 3.575 . 0 0 "[ . 1 . 2]" 1
427 1 63 CYS HA 1 70 LEU MD2 . . 5.250 2.502 2.109 3.384 . 0 0 "[ . 1 . 2]" 1
428 1 63 CYS HA 1 64 LYS H . . 3.940 2.214 2.133 2.291 . 0 0 "[ . 1 . 2]" 1
429 1 63 CYS QB 1 66 CYS HA 4.870 . 4.870 3.984 3.805 4.362 . 0 0 "[ . 1 . 2]" 1
430 1 63 CYS QB 1 68 ALA MB . . 5.510 3.179 2.438 3.779 . 0 0 "[ . 1 . 2]" 1
431 1 64 LYS H 1 65 LYS H . . 4.250 2.791 2.627 2.908 . 0 0 "[ . 1 . 2]" 1
432 1 64 LYS H 1 64 LYS HB3 3.990 . 3.990 3.146 2.466 3.590 . 0 0 "[ . 1 . 2]" 1
433 1 63 CYS QB 1 64 LYS H 4.380 . 4.380 3.426 3.253 3.674 . 0 0 "[ . 1 . 2]" 1
434 1 64 LYS H 1 70 LEU MD2 5.920 . 5.920 4.223 3.861 4.934 . 0 0 "[ . 1 . 2]" 1
435 1 64 LYS H 1 99 MET ME 6.500 . 6.500 3.794 2.763 4.920 . 0 0 "[ . 1 . 2]" 1
436 1 65 LYS H 1 65 LYS HB3 3.920 . 3.920 2.669 2.532 3.665 . 0 0 "[ . 1 . 2]" 1
437 1 65 LYS H 1 66 CYS HA 4.260 . 4.260 4.989 4.750 5.201 0.941 3 19 "[ *+******-**********]" 1
438 1 65 LYS H 1 65 LYS QG 4.660 . 4.660 3.815 1.942 4.053 . 0 0 "[ . 1 . 2]" 1
439 1 65 LYS H 1 92 CYS QB 5.410 . 5.410 6.069 5.603 6.441 1.031 4 15 "[***+.********** -2]" 1
440 1 65 LYS H 1 66 CYS QB 4.920 . 4.920 4.709 4.243 5.105 0.185 6 0 "[ . 1 . 2]" 1
441 1 65 LYS QG 1 66 CYS HA 4.410 . 4.410 3.421 3.077 5.304 0.894 10 1 "[ . + . 2]" 1
442 1 65 LYS HA 1 65 LYS QD 4.870 . 4.870 3.937 3.851 4.192 . 0 0 "[ . 1 . 2]" 1
443 1 65 LYS QD 1 95 CYS HB3 4.420 . 4.420 2.556 1.987 4.003 . 0 0 "[ . 1 . 2]" 1
444 1 65 LYS QD 1 66 CYS HA 4.850 . 4.850 4.998 4.682 5.492 0.642 1 2 "[+ . - . 2]" 1
445 1 65 LYS HB3 1 66 CYS H 4.180 . 4.180 3.104 2.389 4.310 0.130 1 0 "[ . 1 . 2]" 1
446 1 66 CYS H 1 67 HIS H . . 4.210 2.368 1.995 2.609 . 0 0 "[ . 1 . 2]" 1
447 1 65 LYS HA 1 66 CYS H 4.220 . 4.220 3.539 3.447 3.636 . 0 0 "[ . 1 . 2]" 1
448 1 65 LYS QG 1 66 CYS H 4.980 . 4.980 3.674 2.794 4.070 . 0 0 "[ . 1 . 2]" 1
449 1 66 CYS HA 1 95 CYS HB3 4.900 . 4.900 5.031 4.149 5.671 0.771 16 4 "[ * . 1 * .+ - 2]" 1
450 1 65 LYS HA 1 67 HIS H 4.390 . 4.390 4.246 3.803 4.632 0.242 9 0 "[ . 1 . 2]" 1
451 1 66 CYS HA 1 67 HIS H 4.460 . 4.460 3.466 3.385 3.550 . 0 0 "[ . 1 . 2]" 1
452 1 66 CYS QB 1 67 HIS H 4.420 . 4.420 2.832 2.456 3.710 . 0 0 "[ . 1 . 2]" 1
453 1 67 HIS H 1 68 ALA H . . 4.260 2.561 2.380 2.770 . 0 0 "[ . 1 . 2]" 1
454 1 67 HIS H 1 67 HIS HB2 4.310 . 4.310 3.516 3.370 3.613 . 0 0 "[ . 1 . 2]" 1
455 1 67 HIS HA 1 68 ALA H 4.400 . 4.400 2.801 2.508 3.197 . 0 0 "[ . 1 . 2]" 1
456 1 67 HIS HB2 1 68 ALA H 4.120 . 4.120 4.087 3.652 4.416 0.296 2 0 "[ . 1 . 2]" 1
457 1 62 TYR HB3 1 68 ALA H 4.690 . 4.690 4.729 4.114 5.074 0.384 5 0 "[ . 1 . 2]" 1
458 1 63 CYS H 1 68 ALA H 4.320 . 4.320 2.563 1.503 3.356 0.297 2 0 "[ . 1 . 2]" 1
459 1 36 ALA MB 1 68 ALA HA 5.370 . 5.370 4.166 3.375 4.594 . 0 0 "[ . 1 . 2]" 1
460 1 37 LYS QB 1 68 ALA MB 5.560 . 5.560 3.309 2.832 4.013 . 0 0 "[ . 1 . 2]" 1
461 1 66 CYS QB 1 68 ALA MB 5.120 . 5.120 2.022 1.723 2.406 0.077 19 0 "[ . 1 . 2]" 1
462 1 68 ALA HA 1 69 PHE H . . 3.870 2.382 2.299 2.433 . 0 0 "[ . 1 . 2]" 1
463 1 36 ALA MB 1 68 ALA MB 6.210 . 6.210 3.044 2.166 3.794 . 0 0 "[ . 1 . 2]" 1
464 1 66 CYS HA 1 68 ALA MB 5.580 . 5.580 4.043 3.608 4.467 . 0 0 "[ . 1 . 2]" 1
465 1 68 ALA MB 1 94 GLU HB2 5.230 . 5.230 3.565 3.022 3.968 . 0 0 "[ . 1 . 2]" 1
466 1 68 ALA MB 1 70 LEU MD2 6.250 . 6.250 4.177 2.874 5.512 . 0 0 "[ . 1 . 2]" 1
467 1 37 LYS QB 1 68 ALA HA 5.010 . 5.010 5.162 4.704 5.776 0.766 19 3 "[ . 1 . -*+2]" 1
468 1 66 CYS QB 1 68 ALA HA 4.940 . 4.940 4.067 3.711 4.483 . 0 0 "[ . 1 . 2]" 1
469 1 68 ALA MB 1 94 GLU QG . . 5.210 2.754 1.947 3.828 . 0 0 "[ . 1 . 2]" 1
470 1 68 ALA MB 1 75 ASN QB 6.850 . 6.850 3.400 3.144 3.682 . 0 0 "[ . 1 . 2]" 1
471 1 68 ALA MB 1 69 PHE H . . 5.290 2.531 2.341 2.734 . 0 0 "[ . 1 . 2]" 1
472 1 62 TYR HA 1 68 ALA MB 6.500 . 6.500 4.587 3.991 4.892 . 0 0 "[ . 1 . 2]" 1
473 1 67 HIS H 1 68 ALA MB 6.500 . 6.500 4.136 3.694 4.432 . 0 0 "[ . 1 . 2]" 1
474 1 68 ALA MB 1 70 LEU QD 8.000 . 8.000 3.925 2.835 4.517 . 0 0 "[ . 1 . 2]" 1
475 1 68 ALA MB 1 70 LEU HA 6.500 . 6.500 4.701 3.873 5.026 . 0 0 "[ . 1 . 2]" 1
476 1 67 HIS QB 1 68 ALA H 5.500 . 5.500 3.751 3.471 3.918 . 0 0 "[ . 1 . 2]" 1
477 1 68 ALA H 1 69 PHE H 4.380 . 4.380 4.490 4.422 4.647 0.267 12 0 "[ . 1 . 2]" 1
478 1 69 PHE H 1 75 ASN QB . . 4.470 4.884 4.508 5.195 0.725 19 7 "[ *- . * 1 * **+2]" 1
479 1 69 PHE H 1 69 PHE HB3 3.980 . 3.980 2.720 2.280 2.898 . 0 0 "[ . 1 . 2]" 1
480 1 61 ARG HB3 1 69 PHE HA 4.620 . 4.620 3.856 3.389 4.519 . 0 0 "[ . 1 . 2]" 1
481 1 62 TYR H 1 69 PHE HA 4.650 . 4.650 4.965 4.785 5.101 0.451 2 0 "[ . 1 . 2]" 1
482 1 69 PHE H 1 70 LEU H 5.000 . 5.000 4.574 4.440 4.609 . 0 0 "[ . 1 . 2]" 1
483 1 29 PHE QD 1 69 PHE HA 5.500 . 5.500 5.281 5.090 5.484 . 0 0 "[ . 1 . 2]" 1
484 1 69 PHE HA 1 70 LEU QD 6.500 . 6.500 4.635 3.703 5.132 . 0 0 "[ . 1 . 2]" 1
485 1 62 TYR HB2 1 70 LEU H 4.910 . 4.910 4.767 4.099 5.297 0.387 11 0 "[ . 1 . 2]" 1
486 1 70 LEU H 1 71 VAL H 4.600 . 4.600 4.106 4.032 4.209 . 0 0 "[ . 1 . 2]" 1
487 1 69 PHE HA 1 70 LEU H 4.200 . 4.200 2.242 2.204 2.296 . 0 0 "[ . 1 . 2]" 1
488 1 70 LEU H 1 70 LEU MD2 . . 5.640 3.833 2.837 4.444 . 0 0 "[ . 1 . 2]" 1
489 1 70 LEU H 1 70 LEU HG 4.080 . 4.080 4.621 4.360 4.768 0.688 3 14 "[ -+ . ***** **.*****]" 1
490 1 61 ARG HA 1 70 LEU H 4.270 . 4.270 3.401 3.110 3.680 . 0 0 "[ . 1 . 2]" 1
491 1 69 PHE HB3 1 70 LEU H 4.170 . 4.170 4.022 3.879 4.380 0.210 11 0 "[ . 1 . 2]" 1
492 1 62 TYR HA 1 70 LEU H 4.320 . 4.320 2.561 2.064 3.154 . 0 0 "[ . 1 . 2]" 1
493 1 62 TYR H 1 70 LEU H 4.170 . 4.170 4.018 3.813 4.239 0.069 14 0 "[ . 1 . 2]" 1
494 1 70 LEU H 1 75 ASN QD 4.930 . 4.930 4.534 3.978 5.129 0.199 2 0 "[ . 1 . 2]" 1
495 1 63 CYS H 1 70 LEU H 4.930 . 4.930 4.427 3.938 5.075 0.145 11 0 "[ . 1 . 2]" 1
496 1 70 LEU H 1 70 LEU MD1 . . 5.310 4.201 4.130 4.333 . 0 0 "[ . 1 . 2]" 1
497 1 70 LEU HA 1 70 LEU MD1 4.790 . 4.790 2.287 2.038 2.925 . 0 0 "[ . 1 . 2]" 1
498 1 63 CYS QB 1 70 LEU MD2 . . 5.380 2.355 1.943 2.844 . 0 0 "[ . 1 . 2]" 1
499 1 70 LEU HA 1 76 ALA MB . . 4.990 3.756 3.499 4.167 . 0 0 "[ . 1 . 2]" 1
500 1 70 LEU HA 1 71 VAL H . . 4.130 2.116 1.995 2.240 . 0 0 "[ . 1 . 2]" 1
501 1 62 TYR HA 1 70 LEU MD2 5.240 . 5.240 3.432 2.150 4.118 . 0 0 "[ . 1 . 2]" 1
502 1 63 CYS HA 1 70 LEU MD1 5.590 . 5.590 4.740 4.016 5.018 . 0 0 "[ . 1 . 2]" 1
503 1 70 LEU MD1 1 78 VAL HB 5.460 . 5.460 5.132 4.639 5.916 0.456 15 0 "[ . 1 . 2]" 1
504 1 63 CYS QB 1 70 LEU MD1 5.640 . 5.640 4.365 2.865 4.936 . 0 0 "[ . 1 . 2]" 1
505 1 70 LEU MD2 1 76 ALA MB . . 5.760 2.932 2.331 3.550 . 0 0 "[ . 1 . 2]" 1
506 1 70 LEU MD1 1 71 VAL H . . 5.470 2.771 2.404 3.241 . 0 0 "[ . 1 . 2]" 1
507 1 70 LEU MD1 1 76 ALA MB . . 7.860 2.534 1.773 3.576 0.027 5 0 "[ . 1 . 2]" 1
508 1 70 LEU QD 1 71 VAL H 6.500 . 6.500 2.681 2.397 3.060 . 0 0 "[ . 1 . 2]" 1
509 1 70 LEU QD 1 99 MET ME 8.000 . 8.000 3.947 2.905 5.422 . 0 0 "[ . 1 . 2]" 1
510 1 70 LEU QD 1 78 VAL H 6.500 . 6.500 6.320 6.043 6.585 0.085 1 0 "[ . 1 . 2]" 1
511 1 68 ALA HA 1 70 LEU QD 6.500 . 6.500 5.745 4.758 6.349 . 0 0 "[ . 1 . 2]" 1
512 1 62 TYR HA 1 70 LEU QD 6.500 . 6.500 3.348 2.148 3.959 . 0 0 "[ . 1 . 2]" 1
513 1 63 CYS QB 1 70 LEU QD 7.000 . 7.000 2.330 1.940 2.826 . 0 0 "[ . 1 . 2]" 1
514 1 63 CYS H 1 70 LEU QD 6.500 . 6.500 2.919 2.093 3.497 . 0 0 "[ . 1 . 2]" 1
515 1 70 LEU QD 1 71 VAL QG 8.000 . 8.000 3.766 3.436 4.206 . 0 0 "[ . 1 . 2]" 1
516 1 69 PHE QB 1 70 LEU H 5.500 . 5.500 3.729 3.636 3.912 . 0 0 "[ . 1 . 2]" 1
517 1 71 VAL H 1 71 VAL HB 4.340 . 4.340 2.791 2.612 2.982 . 0 0 "[ . 1 . 2]" 1
518 1 71 VAL H 1 76 ALA MB . . 5.600 3.686 3.358 4.194 . 0 0 "[ . 1 . 2]" 1
519 1 71 VAL H 1 76 ALA H 4.370 . 4.370 4.867 4.734 5.051 0.681 17 10 "[ ***. -* 1 ***. + *]" 1
520 1 71 VAL H 1 75 ASN H 4.420 . 4.420 3.929 3.640 4.278 . 0 0 "[ . 1 . 2]" 1
521 1 71 VAL H 1 75 ASN QD 4.860 . 4.860 3.094 1.892 4.141 . 0 0 "[ . 1 . 2]" 1
522 1 71 VAL HA 1 72 PRO HG2 4.420 . 4.420 4.573 4.480 4.662 0.242 5 0 "[ . 1 . 2]" 1
523 1 71 VAL QG 1 72 PRO HD2 4.890 . 4.890 2.372 2.096 2.926 . 0 0 "[ . 1 . 2]" 1
524 1 71 VAL HA 1 72 PRO HG3 4.350 . 4.350 4.320 4.228 4.458 0.108 1 0 "[ . 1 . 2]" 1
525 1 71 VAL HA 1 72 PRO HD2 4.280 . 4.280 2.612 2.463 2.744 . 0 0 "[ . 1 . 2]" 1
526 1 71 VAL HB 1 74 ILE MD 5.290 . 5.290 2.697 2.018 3.941 . 0 0 "[ . 1 . 2]" 1
527 1 71 VAL HB 1 75 ASN H . . 4.600 4.368 3.515 4.683 0.083 17 0 "[ . 1 . 2]" 1
528 1 71 VAL QG 1 74 ILE QG 5.210 . 5.210 2.922 1.892 3.446 . 0 0 "[ . 1 . 2]" 1
529 1 71 VAL QG 1 74 ILE HB 5.670 . 5.670 3.551 2.979 3.890 . 0 0 "[ . 1 . 2]" 1
530 1 70 LEU H 1 71 VAL QG 5.170 . 5.170 3.782 3.407 4.034 . 0 0 "[ . 1 . 2]" 1
531 1 71 VAL QG 1 74 ILE MD . . 6.200 2.423 1.937 3.701 . 0 0 "[ . 1 . 2]" 1
532 1 69 PHE HA 1 71 VAL QG 5.280 . 5.280 4.733 4.012 5.216 . 0 0 "[ . 1 . 2]" 1
533 1 69 PHE HZ 1 71 VAL QG 5.670 . 5.670 3.745 2.873 4.076 . 0 0 "[ . 1 . 2]" 1
534 1 69 PHE HB3 1 71 VAL QG 5.590 . 5.590 3.874 2.381 4.657 . 0 0 "[ . 1 . 2]" 1
535 1 29 PHE QD 1 71 VAL QG 6.460 . 6.460 3.545 2.612 4.011 . 0 0 "[ . 1 . 2]" 1
536 1 69 PHE QE 1 71 VAL QG 7.000 . 7.000 2.261 2.040 2.670 . 0 0 "[ . 1 . 2]" 1
537 1 69 PHE QD 1 71 VAL QG 7.000 . 7.000 2.209 1.984 2.613 . 0 0 "[ . 1 . 2]" 1
538 1 26 GLU QB 1 71 VAL QG 7.000 . 7.000 5.623 5.009 6.123 . 0 0 "[ . 1 . 2]" 1
539 1 72 PRO HB3 1 72 PRO HD3 4.020 . 4.020 4.009 3.905 4.037 0.017 4 0 "[ . 1 . 2]" 1
540 1 72 PRO HB2 1 72 PRO HD2 4.280 . 4.280 3.101 3.035 3.285 . 0 0 "[ . 1 . 2]" 1
541 1 71 VAL QG 1 72 PRO HD3 5.270 . 5.270 3.186 2.992 3.501 . 0 0 "[ . 1 . 2]" 1
542 1 70 LEU MD1 1 72 PRO HA 5.670 . 5.670 4.053 3.776 4.365 . 0 0 "[ . 1 . 2]" 1
543 1 72 PRO HA 1 74 ILE QG 4.920 . 4.920 5.082 4.112 5.443 0.523 9 1 "[ . +1 . 2]" 1
544 1 71 VAL QG 1 72 PRO HB2 5.800 . 5.800 4.061 3.738 4.607 . 0 0 "[ . 1 . 2]" 1
545 1 72 PRO HA 1 76 ALA MB . . 6.360 3.058 2.872 3.218 . 0 0 "[ . 1 . 2]" 1
546 1 72 PRO HB3 1 73 GLY H 4.510 . 4.510 3.300 3.190 3.428 . 0 0 "[ . 1 . 2]" 1
547 1 72 PRO HA 1 73 GLY H 4.310 . 4.310 2.151 2.070 2.186 . 0 0 "[ . 1 . 2]" 1
548 1 73 GLY HA3 1 74 ILE H 3.810 . 3.810 3.270 3.164 3.423 . 0 0 "[ . 1 . 2]" 1
549 1 74 ILE H 1 77 ARG QG 4.430 . 4.430 5.433 5.314 5.542 1.112 3 20 [**+**-**************] 1
550 1 74 ILE H 1 74 ILE QG 3.980 . 3.980 2.767 2.533 2.933 . 0 0 "[ . 1 . 2]" 1
551 1 74 ILE H 1 76 ALA H 4.200 . 4.200 2.451 2.140 2.748 . 0 0 "[ . 1 . 2]" 1
552 1 30 PRO HA 1 74 ILE MD 5.460 . 5.460 3.427 3.103 3.822 . 0 0 "[ . 1 . 2]" 1
553 1 30 PRO HA 1 74 ILE HB 4.850 . 4.850 4.570 4.293 4.994 0.144 19 0 "[ . 1 . 2]" 1
554 1 29 PHE HB3 1 74 ILE MG 5.700 . 5.700 3.470 2.086 4.126 . 0 0 "[ . 1 . 2]" 1
555 1 29 PHE HB3 1 74 ILE MD 6.080 . 6.080 4.362 2.827 5.842 . 0 0 "[ . 1 . 2]" 1
556 1 73 GLY HA3 1 74 ILE MD 5.220 . 5.220 4.375 2.754 4.874 . 0 0 "[ . 1 . 2]" 1
557 1 30 PRO HA 1 74 ILE QG 4.830 . 4.830 3.490 2.697 4.684 . 0 0 "[ . 1 . 2]" 1
558 1 74 ILE H 1 74 ILE MD 5.420 . 5.420 3.802 3.435 3.975 . 0 0 "[ . 1 . 2]" 1
559 1 29 PHE QE 1 74 ILE MD . . 7.000 3.247 1.965 5.703 . 0 0 "[ . 1 . 2]" 1
560 1 29 PHE QD 1 74 ILE MD 6.880 . 6.880 3.239 2.232 4.726 . 0 0 "[ . 1 . 2]" 1
561 1 72 PRO QB 1 74 ILE H 5.500 . 5.500 4.709 4.552 4.790 . 0 0 "[ . 1 . 2]" 1
562 1 74 ILE HB 1 75 ASN H 3.950 . 3.950 2.006 1.789 2.184 0.011 12 0 "[ . 1 . 2]" 1
563 1 75 ASN H 1 76 ALA H . . 3.760 2.158 2.084 2.284 . 0 0 "[ . 1 . 2]" 1
564 1 74 ILE HA 1 75 ASN H 4.060 . 4.060 3.578 3.545 3.615 . 0 0 "[ . 1 . 2]" 1
565 1 74 ILE QG 1 75 ASN H 4.340 . 4.340 3.895 3.529 4.081 . 0 0 "[ . 1 . 2]" 1
566 1 74 ILE MG 1 75 ASN H 5.450 . 5.450 2.615 2.415 3.000 . 0 0 "[ . 1 . 2]" 1
567 1 75 ASN HA 1 93 LEU MD1 . . 4.800 2.795 2.262 3.443 . 0 0 "[ . 1 . 2]" 1
568 1 75 ASN HA 1 93 LEU HB2 4.240 . 4.240 3.374 2.514 3.830 . 0 0 "[ . 1 . 2]" 1
569 1 71 VAL QG 1 75 ASN H 6.500 . 6.500 4.608 4.091 4.882 . 0 0 "[ . 1 . 2]" 1
570 1 75 ASN QB 1 76 ALA H 4.590 . 4.590 3.830 3.775 3.922 . 0 0 "[ . 1 . 2]" 1
571 1 75 ASN HA 1 76 ALA H 4.240 . 4.240 3.174 3.110 3.259 . 0 0 "[ . 1 . 2]" 1
572 1 74 ILE HA 1 76 ALA H 4.020 . 4.020 4.178 4.097 4.308 0.288 7 0 "[ . 1 . 2]" 1
573 1 72 PRO HA 1 76 ALA H 4.810 . 4.810 4.105 3.786 4.226 . 0 0 "[ . 1 . 2]" 1
574 1 74 ILE HB 1 76 ALA H 4.030 . 4.030 3.661 3.449 3.793 . 0 0 "[ . 1 . 2]" 1
575 1 76 ALA H 1 77 ARG HB2 4.600 . 4.600 4.823 4.658 4.974 0.374 12 0 "[ . 1 . 2]" 1
576 1 76 ALA H 1 93 LEU MD1 5.390 . 5.390 4.099 3.191 4.757 . 0 0 "[ . 1 . 2]" 1
577 1 76 ALA HA 1 77 ARG HB2 4.340 . 4.340 4.238 4.108 4.339 . 0 0 "[ . 1 . 2]" 1
578 1 76 ALA HA 1 93 LEU HG 4.210 . 4.210 3.399 2.822 4.097 . 0 0 "[ . 1 . 2]" 1
579 1 76 ALA MB 1 77 ARG H . . 5.350 2.736 2.636 2.857 . 0 0 "[ . 1 . 2]" 1
580 1 76 ALA HA 1 77 ARG H . . 3.930 2.318 2.272 2.369 . 0 0 "[ . 1 . 2]" 1
581 1 74 ILE HB 1 76 ALA MB 5.590 . 5.590 4.869 4.437 5.108 . 0 0 "[ . 1 . 2]" 1
582 1 76 ALA HA 1 93 LEU MD1 . . 5.240 4.161 3.595 4.730 . 0 0 "[ . 1 . 2]" 1
583 1 70 LEU HG 1 76 ALA MB 4.930 . 4.930 4.645 3.679 5.012 0.082 19 0 "[ . 1 . 2]" 1
584 1 76 ALA MB 1 91 LYS HB3 5.540 . 5.540 5.750 5.525 5.837 0.297 14 0 "[ . 1 . 2]" 1
585 1 76 ALA HA 1 92 CYS HB3 5.150 . 5.150 4.384 3.578 5.142 . 0 0 "[ . 1 . 2]" 1
586 1 76 ALA MB 1 91 LYS QD 5.100 . 5.100 4.955 4.503 5.212 0.112 17 0 "[ . 1 . 2]" 1
587 1 70 LEU MD2 1 76 ALA HA 6.260 . 6.260 5.428 4.832 6.133 . 0 0 "[ . 1 . 2]" 1
588 1 76 ALA MB 1 77 ARG HA 6.850 . 6.850 4.032 3.962 4.090 . 0 0 "[ . 1 . 2]" 1
589 1 76 ALA H 1 77 ARG H 5.000 . 5.000 4.262 4.215 4.331 . 0 0 "[ . 1 . 2]" 1
590 1 77 ARG H 1 78 VAL HA 4.620 . 4.620 4.833 4.752 4.939 0.319 11 0 "[ . 1 . 2]" 1
591 1 77 ARG H 1 77 ARG HB2 3.840 . 3.840 3.045 2.955 3.266 . 0 0 "[ . 1 . 2]" 1
592 1 77 ARG H 1 77 ARG QG 4.490 . 4.490 4.095 4.051 4.125 . 0 0 "[ . 1 . 2]" 1
593 1 77 ARG HA 1 77 ARG QG . . 4.020 2.284 2.233 2.356 . 0 0 "[ . 1 . 2]" 1
594 1 77 ARG QG 1 78 VAL HA 4.300 . 4.300 3.898 3.623 4.048 . 0 0 "[ . 1 . 2]" 1
595 1 73 GLY HA2 1 77 ARG HA 4.100 . 4.100 3.351 3.066 3.514 . 0 0 "[ . 1 . 2]" 1
596 1 77 ARG HA 1 77 ARG HD3 4.470 . 4.470 4.497 4.234 4.775 0.305 16 0 "[ . 1 . 2]" 1
597 1 77 ARG HB3 1 91 LYS QG 4.180 . 4.180 2.623 2.055 3.281 . 0 0 "[ . 1 . 2]" 1
598 1 77 ARG QG 1 79 ARG H 4.990 . 4.990 4.577 4.205 4.744 . 0 0 "[ . 1 . 2]" 1
599 1 77 ARG HA 1 78 VAL MG1 . . 5.910 3.869 3.780 3.973 . 0 0 "[ . 1 . 2]" 1
600 1 77 ARG QG 1 78 VAL H 4.120 . 4.120 2.238 2.085 2.508 . 0 0 "[ . 1 . 2]" 1
601 1 78 VAL MG2 1 90 VAL HB 5.580 . 5.580 4.293 4.165 4.454 . 0 0 "[ . 1 . 2]" 1
602 1 78 VAL MG2 1 90 VAL HA 5.170 . 5.170 3.176 2.924 3.322 . 0 0 "[ . 1 . 2]" 1
603 1 78 VAL HB 1 80 LEU HG 4.900 . 4.900 5.570 5.461 5.672 0.772 15 20 [***-**********+*****] 1
604 1 72 PRO HA 1 78 VAL MG2 5.830 . 5.830 5.333 5.251 5.436 . 0 0 "[ . 1 . 2]" 1
605 1 78 VAL HB 1 88 ILE QG 4.500 . 4.500 5.632 5.482 5.909 1.409 19 20 [***-**************+*] 1
606 1 78 VAL MG2 1 88 ILE HB 5.670 . 5.670 2.014 1.884 2.202 . 0 0 "[ . 1 . 2]" 1
607 1 78 VAL HB 1 80 LEU MD1 5.800 . 5.800 4.653 4.383 4.924 . 0 0 "[ . 1 . 2]" 1
608 1 78 VAL MG2 1 80 LEU MD2 6.360 . 6.360 3.630 3.421 3.759 . 0 0 "[ . 1 . 2]" 1
609 1 78 VAL MG1 1 80 LEU MD2 6.150 . 6.150 3.314 3.093 3.434 . 0 0 "[ . 1 . 2]" 1
610 1 78 VAL MG1 1 88 ILE HB 5.090 . 5.090 3.961 3.708 4.224 . 0 0 "[ . 1 . 2]" 1
611 1 78 VAL MG2 1 90 VAL H 5.940 . 5.940 4.179 3.835 4.335 . 0 0 "[ . 1 . 2]" 1
612 1 78 VAL MG2 1 79 ARG H 5.260 . 5.260 2.522 2.330 2.740 . 0 0 "[ . 1 . 2]" 1
613 1 72 PRO HG2 1 78 VAL HB 4.060 . 4.060 3.884 3.386 4.201 0.141 3 0 "[ . 1 . 2]" 1
614 1 78 VAL QG 1 88 ILE H 6.500 . 6.500 4.947 4.852 5.146 . 0 0 "[ . 1 . 2]" 1
615 1 79 ARG HA 1 79 ARG HG2 3.760 . 3.760 2.773 2.431 3.079 . 0 0 "[ . 1 . 2]" 1
616 1 79 ARG HA 1 79 ARG QD 4.090 . 4.090 3.831 1.894 4.205 0.115 12 0 "[ . 1 . 2]" 1
617 1 79 ARG HA 1 88 ILE HB 4.610 . 4.610 5.618 5.387 5.740 1.130 17 20 [******-*********+***] 1
618 1 79 ARG H 1 79 ARG HG3 4.650 . 4.650 3.954 2.755 4.683 0.033 12 0 "[ . 1 . 2]" 1
619 1 79 ARG HA 1 89 VAL MG2 5.600 . 5.600 4.098 3.873 4.297 . 0 0 "[ . 1 . 2]" 1
620 1 79 ARG HG2 1 80 LEU H 4.540 . 4.540 3.532 2.667 4.842 0.302 6 0 "[ . 1 . 2]" 1
621 1 80 LEU H 1 81 ARG HA 4.710 . 4.710 4.904 4.680 5.100 0.390 16 0 "[ . 1 . 2]" 1
622 1 79 ARG HA 1 80 LEU MD1 5.050 . 5.050 2.656 2.558 2.774 . 0 0 "[ . 1 . 2]" 1
623 1 72 PRO HB3 1 80 LEU MD1 5.070 . 5.070 5.114 4.887 5.304 0.234 7 0 "[ . 1 . 2]" 1
624 1 78 VAL MG2 1 80 LEU MD1 6.360 . 6.360 2.859 2.509 3.131 . 0 0 "[ . 1 . 2]" 1
625 1 79 ARG QD 1 80 LEU MD1 6.120 . 6.120 5.402 3.630 5.792 . 0 0 "[ . 1 . 2]" 1
626 1 81 ARG H 1 88 ILE HA 3.870 . 3.870 3.161 2.944 3.564 . 0 0 "[ . 1 . 2]" 1
627 1 80 LEU HB3 1 81 ARG H 4.200 . 4.200 3.500 3.400 3.651 . 0 0 "[ . 1 . 2]" 1
628 1 81 ARG H 1 88 ILE MG 5.760 . 5.760 3.282 3.072 3.432 . 0 0 "[ . 1 . 2]" 1
629 1 79 ARG QB 1 81 ARG QB 4.770 . 4.770 5.286 4.859 5.853 1.083 7 11 "[*** . + *1 ** .-***2]" 1
630 1 79 ARG QD 1 81 ARG QG 4.030 . 4.030 3.806 2.808 4.691 0.661 5 2 "[ + 1 - 2]" 1
631 1 87 HIS H 1 88 ILE H 4.590 . 4.590 4.295 4.230 4.449 . 0 0 "[ . 1 . 2]" 1
632 1 86 PRO HA 1 87 HIS H 4.260 . 4.260 2.209 2.150 2.246 . 0 0 "[ . 1 . 2]" 1
633 1 86 PRO HB2 1 87 HIS H 4.250 . 4.250 3.783 3.534 3.932 . 0 0 "[ . 1 . 2]" 1
634 1 87 HIS HA 1 88 ILE MG . . 5.170 3.703 3.522 3.856 . 0 0 "[ . 1 . 2]" 1
635 1 87 HIS HB3 1 88 ILE H 4.420 . 4.420 3.558 2.997 4.385 . 0 0 "[ . 1 . 2]" 1
636 1 87 HIS HB2 1 88 ILE H 4.370 . 4.370 3.985 2.849 4.308 . 0 0 "[ . 1 . 2]" 1
637 1 88 ILE H 1 89 VAL HA 5.040 . 5.040 4.798 4.708 4.863 . 0 0 "[ . 1 . 2]" 1
638 1 87 HIS HA 1 88 ILE H 4.360 . 4.360 2.188 2.142 2.227 . 0 0 "[ . 1 . 2]" 1
639 1 88 ILE H 1 88 ILE QG 4.290 . 4.290 2.294 2.203 2.397 . 0 0 "[ . 1 . 2]" 1
640 1 88 ILE MD 1 101 TYR HB3 5.410 . 5.410 2.768 2.382 3.774 . 0 0 "[ . 1 . 2]" 1
641 1 88 ILE QG 1 101 TYR HB3 4.640 . 4.640 2.285 1.918 3.465 . 0 0 "[ . 1 . 2]" 1
642 1 86 PRO HB2 1 88 ILE MG 5.240 . 5.240 4.875 3.300 5.207 . 0 0 "[ . 1 . 2]" 1
643 1 78 VAL HB 1 88 ILE MD 5.940 . 5.940 4.274 4.101 4.660 . 0 0 "[ . 1 . 2]" 1
644 1 88 ILE MD 1 101 TYR HB2 5.890 . 5.890 3.078 2.482 3.351 . 0 0 "[ . 1 . 2]" 1
645 1 88 ILE MD 1 101 TYR H 5.520 . 5.520 4.509 4.109 4.773 . 0 0 "[ . 1 . 2]" 1
646 1 88 ILE MG 1 101 TYR QD 7.230 . 7.230 5.553 4.708 6.084 . 0 0 "[ . 1 . 2]" 1
647 1 88 ILE MD 1 101 TYR QD 6.930 . 6.930 3.604 3.195 4.158 . 0 0 "[ . 1 . 2]" 1
648 1 88 ILE QG 1 101 TYR QB 6.000 . 6.000 2.019 1.859 2.207 . 0 0 "[ . 1 . 2]" 1
649 1 88 ILE QG 1 101 TYR QD 6.000 . 6.000 3.695 3.115 4.087 . 0 0 "[ . 1 . 2]" 1
650 1 88 ILE QG 1 101 TYR HA 5.500 . 5.500 4.204 4.059 4.422 . 0 0 "[ . 1 . 2]" 1
651 1 89 VAL H 1 90 VAL HA 4.640 . 4.640 4.925 4.849 5.027 0.387 13 0 "[ . 1 . 2]" 1
652 1 89 VAL H 1 90 VAL H 4.410 . 4.410 4.419 4.375 4.466 0.056 2 0 "[ . 1 . 2]" 1
653 1 88 ILE HB 1 89 VAL H 4.180 . 4.180 2.957 2.870 3.295 . 0 0 "[ . 1 . 2]" 1
654 1 88 ILE QG 1 89 VAL H 4.190 . 4.190 3.897 3.842 4.019 . 0 0 "[ . 1 . 2]" 1
655 1 89 VAL HA 1 100 ARG HG3 4.660 . 4.660 4.314 3.234 4.722 0.062 10 0 "[ . 1 . 2]" 1
656 1 88 ILE QG 1 89 VAL HA . . 4.450 3.881 3.820 3.940 . 0 0 "[ . 1 . 2]" 1
657 1 89 VAL HA 1 90 VAL HA 3.970 . 3.970 4.387 4.345 4.424 0.454 1 0 "[ . 1 . 2]" 1
658 1 89 VAL HA 1 100 ARG HA 4.570 . 4.570 2.348 2.166 2.562 . 0 0 "[ . 1 . 2]" 1
659 1 89 VAL MG2 1 91 LYS HE2 5.310 . 5.310 4.255 3.929 4.621 . 0 0 "[ . 1 . 2]" 1
660 1 89 VAL MG2 1 91 LYS QD 4.850 . 4.850 3.434 2.837 3.592 . 0 0 "[ . 1 . 2]" 1
661 1 89 VAL MG1 1 100 ARG HA . . 5.470 2.684 2.323 3.129 . 0 0 "[ . 1 . 2]" 1
662 1 88 ILE HA 1 89 VAL MG1 5.090 . 5.090 3.835 3.421 4.019 . 0 0 "[ . 1 . 2]" 1
663 1 89 VAL MG1 1 98 ILE QG 5.350 . 5.350 3.603 3.076 4.100 . 0 0 "[ . 1 . 2]" 1
664 1 89 VAL MG1 1 100 ARG HD3 5.670 . 5.670 3.835 3.061 4.528 . 0 0 "[ . 1 . 2]" 1
665 1 79 ARG QD 1 89 VAL MG2 5.610 . 5.610 3.394 2.581 4.485 . 0 0 "[ . 1 . 2]" 1
666 1 79 ARG HG3 1 89 VAL MG2 5.310 . 5.310 3.896 3.035 4.485 . 0 0 "[ . 1 . 2]" 1
667 1 89 VAL MG2 1 90 VAL HA 5.780 . 5.780 4.309 4.067 4.469 . 0 0 "[ . 1 . 2]" 1
668 1 89 VAL MG2 1 90 VAL H 5.260 . 5.260 4.029 3.799 4.094 . 0 0 "[ . 1 . 2]" 1
669 1 88 ILE QG 1 90 VAL H 4.500 . 4.500 4.814 4.649 4.921 0.421 8 0 "[ . 1 . 2]" 1
670 1 89 VAL HA 1 90 VAL H 3.960 . 3.960 2.158 2.114 2.217 . 0 0 "[ . 1 . 2]" 1
671 1 90 VAL H 1 100 ARG HA 4.230 . 4.230 3.233 2.863 3.496 . 0 0 "[ . 1 . 2]" 1
672 1 90 VAL H 1 91 LYS H 4.280 . 4.280 4.314 4.254 4.361 0.081 17 0 "[ . 1 . 2]" 1
673 1 88 ILE QG 1 90 VAL MG2 4.560 . 4.560 3.023 2.827 3.163 . 0 0 "[ . 1 . 2]" 1
674 1 90 VAL HB 1 99 MET HA 4.690 . 4.690 5.242 5.025 5.451 0.761 6 15 "[ ** .+** 1**-*******]" 1
675 1 90 VAL HA 1 91 LYS H . . 4.340 2.147 2.116 2.186 . 0 0 "[ . 1 . 2]" 1
676 1 90 VAL MG1 1 91 LYS H 5.230 . 5.230 2.516 2.328 2.672 . 0 0 "[ . 1 . 2]" 1
677 1 89 VAL HA 1 90 VAL MG2 4.950 . 4.950 3.607 3.478 3.704 . 0 0 "[ . 1 . 2]" 1
678 1 90 VAL HB 1 99 MET ME 4.660 . 4.660 3.915 2.466 4.600 . 0 0 "[ . 1 . 2]" 1
679 1 78 VAL HB 1 90 VAL MG2 4.630 . 4.630 2.307 2.102 2.615 . 0 0 "[ . 1 . 2]" 1
680 1 89 VAL H 1 90 VAL MG2 5.670 . 5.670 4.137 3.988 4.248 . 0 0 "[ . 1 . 2]" 1
681 1 90 VAL MG2 1 101 TYR QD 6.850 . 6.850 3.735 2.265 4.792 . 0 0 "[ . 1 . 2]" 1
682 1 90 VAL HA 1 99 MET H 5.000 . 5.000 4.670 4.521 4.781 . 0 0 "[ . 1 . 2]" 1
683 1 90 VAL HB 1 99 MET H 5.000 . 5.000 3.640 3.426 3.839 . 0 0 "[ . 1 . 2]" 1
684 1 90 VAL QG 1 99 MET ME 8.000 . 8.000 3.449 2.515 4.269 . 0 0 "[ . 1 . 2]" 1
685 1 90 VAL H 1 99 MET H 5.000 . 5.000 3.183 2.844 3.545 . 0 0 "[ . 1 . 2]" 1
686 1 91 LYS H 1 91 LYS QD 4.040 . 4.040 1.950 1.837 2.204 . 0 0 "[ . 1 . 2]" 1
687 1 78 VAL HA 1 91 LYS H 4.010 . 4.010 3.863 3.598 4.119 0.109 15 0 "[ . 1 . 2]" 1
688 1 91 LYS H 1 91 LYS HB3 4.060 . 4.060 3.585 3.547 3.641 . 0 0 "[ . 1 . 2]" 1
689 1 76 ALA MB 1 91 LYS H 5.490 . 5.490 3.456 3.073 3.626 . 0 0 "[ . 1 . 2]" 1
690 1 77 ARG H 1 91 LYS H 4.370 . 4.370 2.637 2.521 2.728 . 0 0 "[ . 1 . 2]" 1
691 1 78 VAL HB 1 91 LYS H 4.950 . 4.950 4.907 4.749 5.001 0.051 10 0 "[ . 1 . 2]" 1
692 1 91 LYS HA 1 98 ILE QG 4.800 . 4.800 4.246 3.313 4.963 0.163 15 0 "[ . 1 . 2]" 1
693 1 91 LYS HA 1 92 CYS H . . 4.210 2.217 2.179 2.266 . 0 0 "[ . 1 . 2]" 1
694 1 90 VAL MG1 1 91 LYS HA 5.360 . 5.360 3.446 3.254 3.704 . 0 0 "[ . 1 . 2]" 1
695 1 91 LYS HA 1 91 LYS HE2 5.280 . 5.280 5.629 5.426 5.717 0.437 20 0 "[ . 1 . 2]" 1
696 1 90 VAL HA 1 91 LYS HA 4.410 . 4.410 4.409 4.375 4.438 0.028 3 0 "[ . 1 . 2]" 1
697 1 91 LYS HB3 1 92 CYS H 4.320 . 4.320 3.839 3.570 4.026 . 0 0 "[ . 1 . 2]" 1
698 1 91 LYS QD 1 92 CYS H 4.840 . 4.840 5.032 4.931 5.133 0.293 7 0 "[ . 1 . 2]" 1
699 1 90 VAL MG1 1 92 CYS H 5.720 . 5.720 4.076 3.679 4.395 . 0 0 "[ . 1 . 2]" 1
700 1 93 LEU H 1 94 GLU H . . 4.180 2.623 2.468 2.801 . 0 0 "[ . 1 . 2]" 1
701 1 92 CYS QB 1 93 LEU H 4.740 . 4.740 3.269 2.626 3.658 . 0 0 "[ . 1 . 2]" 1
702 1 93 LEU H 1 94 GLU QG 4.820 . 4.820 3.992 3.704 4.420 . 0 0 "[ . 1 . 2]" 1
703 1 93 LEU H 1 93 LEU HG 3.910 . 3.910 2.311 2.222 2.414 . 0 0 "[ . 1 . 2]" 1
704 1 93 LEU H 1 93 LEU MD1 5.280 . 5.280 3.438 3.383 3.579 . 0 0 "[ . 1 . 2]" 1
705 1 76 ALA HA 1 93 LEU H 4.450 . 4.450 2.960 2.393 3.358 . 0 0 "[ . 1 . 2]" 1
706 1 75 ASN QB 1 93 LEU H 4.980 . 4.980 3.908 3.646 4.298 . 0 0 "[ . 1 . 2]" 1
707 1 93 LEU HA 1 93 LEU MD2 . . 4.430 2.088 1.955 2.171 . 0 0 "[ . 1 . 2]" 1
708 1 91 LYS QG 1 93 LEU HG 4.760 . 4.760 5.069 4.821 5.269 0.509 6 1 "[ .+ 1 . 2]" 1
709 1 75 ASN QB 1 93 LEU MD1 5.690 . 5.690 4.137 3.848 4.727 . 0 0 "[ . 1 . 2]" 1
710 1 93 LEU H 1 93 LEU MD2 5.380 . 5.380 3.598 3.510 3.653 . 0 0 "[ . 1 . 2]" 1
711 1 93 LEU MD2 1 96 GLY HA3 5.650 . 5.650 5.307 4.788 5.894 0.244 17 0 "[ . 1 . 2]" 1
712 1 93 LEU MD2 1 94 GLU H 6.110 . 6.110 4.710 4.615 4.809 . 0 0 "[ . 1 . 2]" 1
713 1 92 CYS HA 1 93 LEU H 5.000 . 5.000 2.158 2.084 2.257 . 0 0 "[ . 1 . 2]" 1
714 1 93 LEU HB2 1 94 GLU H 4.370 . 4.370 2.764 2.587 3.100 . 0 0 "[ . 1 . 2]" 1
715 1 93 LEU HG 1 94 GLU H 4.700 . 4.700 4.435 4.242 4.553 . 0 0 "[ . 1 . 2]" 1
716 1 94 GLU H 1 94 GLU HB3 4.160 . 4.160 3.549 3.410 3.624 . 0 0 "[ . 1 . 2]" 1
717 1 94 GLU H 1 95 CYS H 4.060 . 4.060 2.742 2.393 2.993 . 0 0 "[ . 1 . 2]" 1
718 1 93 LEU MD1 1 94 GLU H 5.750 . 5.750 4.618 4.467 4.852 . 0 0 "[ . 1 . 2]" 1
719 1 93 LEU HB2 1 94 GLU QG 4.570 . 4.570 3.636 3.156 4.261 . 0 0 "[ . 1 . 2]" 1
720 1 37 LYS QB 1 94 GLU QG 4.050 . 4.050 2.564 2.139 2.905 . 0 0 "[ . 1 . 2]" 1
721 1 66 CYS HA 1 94 GLU QG 4.280 . 4.280 4.822 4.293 5.598 1.318 15 10 "[ * *. ** * * +*- *2]" 1
722 1 37 LYS HA 1 94 GLU QG 4.320 . 4.320 3.974 3.567 4.839 0.519 8 1 "[ . + 1 . 2]" 1
723 1 94 GLU H 1 94 GLU QG . . 4.530 2.067 1.800 2.376 . 0 0 "[ . 1 . 2]" 1
724 1 94 GLU QG 1 95 CYS H 4.630 . 4.630 3.747 2.925 4.251 . 0 0 "[ . 1 . 2]" 1
725 1 75 ASN QB 1 94 GLU QG 4.940 . 4.940 2.903 2.266 3.349 . 0 0 "[ . 1 . 2]" 1
726 1 37 LYS QG 1 94 GLU HA 4.770 . 4.770 4.325 3.806 5.057 0.287 6 0 "[ . 1 . 2]" 1
727 1 94 GLU H 1 96 GLY H 5.000 . 5.000 3.708 3.445 3.848 . 0 0 "[ . 1 . 2]" 1
728 1 94 GLU HB3 1 95 CYS H 4.420 . 4.420 3.834 3.315 4.257 . 0 0 "[ . 1 . 2]" 1
729 1 95 CYS H 1 96 GLY HA2 4.380 . 4.380 4.596 4.430 4.766 0.386 3 0 "[ . 1 . 2]" 1
730 1 95 CYS H 1 96 GLY H . . 3.940 2.306 2.150 2.467 . 0 0 "[ . 1 . 2]" 1
731 1 94 GLU HA 1 95 CYS H 4.090 . 4.090 3.558 3.507 3.637 . 0 0 "[ . 1 . 2]" 1
732 1 66 CYS QB 1 95 CYS H 4.330 . 4.330 4.140 3.331 4.804 0.474 3 0 "[ . 1 . 2]" 1
733 1 66 CYS HA 1 95 CYS HA 4.780 . 4.780 4.735 3.947 5.206 0.426 12 0 "[ . 1 . 2]" 1
734 1 95 CYS HA 1 96 GLY H 4.220 . 4.220 3.491 3.411 3.532 . 0 0 "[ . 1 . 2]" 1
735 1 96 GLY H 1 97 HIS H 4.240 . 4.240 2.470 2.360 2.646 . 0 0 "[ . 1 . 2]" 1
736 1 95 CYS HB2 1 96 GLY H 4.440 . 4.440 3.304 2.714 3.888 . 0 0 "[ . 1 . 2]" 1
737 1 93 LEU HG 1 96 GLY H 4.710 . 4.710 5.660 5.457 5.964 1.254 15 20 [******-*******+*****] 1
738 1 95 CYS H 1 96 GLY QA 5.500 . 5.500 4.242 4.111 4.382 . 0 0 "[ . 1 . 2]" 1
739 1 97 HIS H 1 97 HIS HB3 3.790 . 3.790 3.773 3.706 3.841 0.051 12 0 "[ . 1 . 2]" 1
740 1 97 HIS H 1 98 ILE H 4.310 . 4.310 4.445 4.397 4.477 0.167 5 0 "[ . 1 . 2]" 1
741 1 92 CYS H 1 97 HIS H 4.170 . 4.170 3.144 2.856 3.461 . 0 0 "[ . 1 . 2]" 1
742 1 92 CYS QB 1 97 HIS H 4.800 . 4.800 4.106 1.938 4.634 . 0 0 "[ . 1 . 2]" 1
743 1 91 LYS HB2 1 97 HIS H 4.950 . 4.950 4.720 4.122 5.212 0.262 17 0 "[ . 1 . 2]" 1
744 1 97 HIS HA 1 98 ILE H . . 3.860 2.207 2.160 2.275 . 0 0 "[ . 1 . 2]" 1
745 1 97 HIS HA 1 98 ILE HB 4.280 . 4.280 4.337 4.169 4.427 0.147 15 0 "[ . 1 . 2]" 1
746 1 91 LYS HB3 1 97 HIS HA 4.930 . 4.930 5.103 4.972 5.324 0.394 17 0 "[ . 1 . 2]" 1
747 1 97 HIS HB3 1 98 ILE H 4.210 . 4.210 2.695 2.611 2.766 . 0 0 "[ . 1 . 2]" 1
748 1 98 ILE H 1 99 MET H 4.350 . 4.350 4.396 4.335 4.448 0.098 4 0 "[ . 1 . 2]" 1
749 1 98 ILE H 1 98 ILE HB 3.920 . 3.920 2.901 2.653 3.089 . 0 0 "[ . 1 . 2]" 1
750 1 98 ILE H 1 98 ILE QG 4.600 . 4.600 4.025 3.953 4.083 . 0 0 "[ . 1 . 2]" 1
751 1 91 LYS HB3 1 98 ILE H 4.570 . 4.570 4.433 4.158 4.772 0.202 17 0 "[ . 1 . 2]" 1
752 1 91 LYS HA 1 98 ILE HA 4.110 . 4.110 2.157 2.041 2.435 . 0 0 "[ . 1 . 2]" 1
753 1 91 LYS HA 1 98 ILE MD 5.700 . 5.700 3.329 2.565 4.753 . 0 0 "[ . 1 . 2]" 1
754 1 98 ILE QG 1 99 MET HA 4.690 . 4.690 3.733 3.463 3.944 . 0 0 "[ . 1 . 2]" 1
755 1 98 ILE MG 1 99 MET HA 5.710 . 5.710 4.059 3.822 4.340 . 0 0 "[ . 1 . 2]" 1
756 1 98 ILE MD 1 99 MET HA 5.480 . 5.480 4.520 3.729 5.248 . 0 0 "[ . 1 . 2]" 1
757 1 91 LYS HE2 1 98 ILE MD 5.550 . 5.550 4.253 3.865 4.630 . 0 0 "[ . 1 . 2]" 1
758 1 98 ILE MD 1 100 ARG H 6.000 . 6.000 5.067 4.337 5.651 . 0 0 "[ . 1 . 2]" 1
759 1 98 ILE MD 1 99 MET H 5.240 . 5.240 2.892 2.033 4.276 . 0 0 "[ . 1 . 2]" 1
760 1 99 MET HA 1 99 MET ME 4.750 . 4.750 4.128 3.794 4.404 . 0 0 "[ . 1 . 2]" 1
761 1 99 MET ME 1 101 TYR QD 6.700 . 6.700 3.787 2.290 5.063 . 0 0 "[ . 1 . 2]" 1
762 1 90 VAL H 1 99 MET ME 6.500 . 6.500 5.338 4.125 5.878 . 0 0 "[ . 1 . 2]" 1
763 1 64 LYS HA 1 99 MET ME 6.500 . 6.500 5.694 4.769 6.632 0.132 17 0 "[ . 1 . 2]" 1
764 1 90 VAL QG 1 99 MET H 6.500 . 6.500 3.660 3.492 3.850 . 0 0 "[ . 1 . 2]" 1
765 1 99 MET HA 1 100 ARG H 3.570 . 3.570 2.198 2.138 2.289 . 0 0 "[ . 1 . 2]" 1
766 1 100 ARG HA 1 101 TYR H . . 4.320 2.176 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
767 1 100 ARG QB 1 101 TYR H 4.720 . 4.720 3.262 2.993 3.774 . 0 0 "[ . 1 . 2]" 1
768 1 90 VAL MG2 1 101 TYR H 5.820 . 5.820 4.274 3.917 4.594 . 0 0 "[ . 1 . 2]" 1
769 1 90 VAL MG2 1 101 TYR HA 6.170 . 6.170 5.655 5.291 5.815 . 0 0 "[ . 1 . 2]" 1
770 1 99 MET ME 1 101 TYR HA 6.500 . 6.500 5.990 4.707 7.114 0.614 11 5 "[ * . -* 1+ *. 2]" 1
771 1 103 TYR H 1 103 TYR HB3 4.170 . 4.170 3.089 2.646 3.841 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 218
_Distance_constraint_stats_list.Viol_total 1280.311
_Distance_constraint_stats_list.Viol_max 1.273
_Distance_constraint_stats_list.Viol_rms 0.1401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0471
_Distance_constraint_stats_list.Viol_average_violations_only 0.2936
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.869 0.277 13 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 1.398 0.277 13 0 "[ . 1 . 2]"
1 24 LEU 0.250 0.136 14 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 21.058 0.734 18 18 "[**************-* +*2]"
1 28 VAL 0.250 0.136 14 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TYR 20.529 0.734 18 18 "[**************-* +*2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.262 0.095 18 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.983 0.213 7 0 "[ . 1 . 2]"
1 38 ARG 0.237 0.082 18 0 "[ . 1 . 2]"
1 39 TYR 1.339 0.337 11 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.983 0.213 7 0 "[ . 1 . 2]"
1 42 LEU 0.237 0.082 18 0 "[ . 1 . 2]"
1 43 ALA 1.077 0.337 11 0 "[ . 1 . 2]"
1 44 LEU 0.025 0.025 17 0 "[ . 1 . 2]"
1 45 LEU 2.847 0.370 7 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.025 0.025 17 0 "[ . 1 . 2]"
1 49 LYS 2.847 0.370 7 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 0.174 0.119 15 0 "[ . 1 . 2]"
1 79 ARG 0.224 0.156 6 0 "[ . 1 . 2]"
1 81 ARG 18.571 1.273 2 6 "[ + -* * ** . 2]"
1 86 PRO 2.907 0.353 9 0 "[ . 1 . 2]"
1 87 HIS 18.571 1.273 2 6 "[ + -* * ** . 2]"
1 88 ILE 0.110 0.071 13 0 "[ . 1 . 2]"
1 89 VAL 0.224 0.156 6 0 "[ . 1 . 2]"
1 90 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.174 0.119 15 0 "[ . 1 . 2]"
1 92 CYS 14.423 0.747 15 7 "[* *-. * *+ * 2]"
1 97 HIS 14.423 0.747 15 7 "[* *-. * *+ * 2]"
1 99 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 TYR 0.110 0.071 13 0 "[ . 1 . 2]"
1 103 TYR 2.907 0.353 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 ILE O 1 22 PHE H 1.800 . 2.300 1.856 1.714 2.081 . 0 0 "[ . 1 . 2]" 2
2 1 18 ILE O 1 22 PHE N 2.800 2.400 3.300 2.769 2.609 3.004 . 0 0 "[ . 1 . 2]" 2
3 1 19 ASP O 1 23 SER H 1.800 . 2.300 2.224 1.999 2.577 0.277 13 0 "[ . 1 . 2]" 2
4 1 19 ASP O 1 23 SER N 2.800 2.400 3.300 3.123 2.908 3.454 0.154 13 0 "[ . 1 . 2]" 2
5 1 21 LEU O 1 25 ALA H 1.800 . 2.300 1.842 1.716 2.003 . 0 0 "[ . 1 . 2]" 2
6 1 21 LEU O 1 25 ALA N 2.800 2.400 3.300 2.778 2.657 2.943 . 0 0 "[ . 1 . 2]" 2
7 1 22 PHE O 1 26 GLU H 1.800 . 2.300 2.023 1.851 2.207 . 0 0 "[ . 1 . 2]" 2
8 1 22 PHE O 1 26 GLU N 2.800 2.400 3.300 2.944 2.742 3.139 . 0 0 "[ . 1 . 2]" 2
9 1 23 SER O 1 27 ARG H 1.800 . 2.300 2.220 1.918 2.490 0.190 8 0 "[ . 1 . 2]" 2
10 1 23 SER O 1 27 ARG N 2.800 2.400 3.300 3.153 2.865 3.428 0.128 8 0 "[ . 1 . 2]" 2
11 1 24 LEU O 1 28 VAL H 1.800 . 2.300 2.146 1.953 2.436 0.136 14 0 "[ . 1 . 2]" 2
12 1 24 LEU O 1 28 VAL N 2.800 2.400 3.300 3.119 2.923 3.413 0.113 14 0 "[ . 1 . 2]" 2
13 1 25 ALA O 1 29 PHE H 1.800 . 2.300 2.173 1.814 2.296 . 0 0 "[ . 1 . 2]" 2
14 1 25 ALA O 1 29 PHE N 2.800 2.400 3.300 2.995 2.675 3.115 . 0 0 "[ . 1 . 2]" 2
15 1 27 ARG O 1 31 TYR H 1.800 . 2.300 2.887 2.788 3.034 0.734 18 18 "[**************-* +*2]" 2
16 1 27 ARG O 1 31 TYR N 2.800 2.400 3.300 3.740 3.638 3.910 0.610 19 3 "[ - . 1 . *+2]" 2
17 1 28 VAL O 1 32 SER H 1.800 . 2.300 1.842 1.776 1.924 . 0 0 "[ . 1 . 2]" 2
18 1 28 VAL O 1 32 SER N 2.800 2.400 3.300 2.788 2.714 2.875 . 0 0 "[ . 1 . 2]" 2
19 1 35 LEU O 1 39 TYR H 1.800 . 2.300 2.176 2.020 2.395 0.095 18 0 "[ . 1 . 2]" 2
20 1 35 LEU O 1 39 TYR N 2.800 2.400 3.300 3.126 2.961 3.352 0.052 20 0 "[ . 1 . 2]" 2
21 1 36 ALA O 1 40 VAL H 1.800 . 2.300 1.876 1.689 2.088 . 0 0 "[ . 1 . 2]" 2
22 1 36 ALA O 1 40 VAL N 2.800 2.400 3.300 2.835 2.637 3.049 . 0 0 "[ . 1 . 2]" 2
23 1 37 LYS O 1 41 GLU H 1.800 . 2.300 2.246 2.044 2.513 0.213 7 0 "[ . 1 . 2]" 2
24 1 37 LYS O 1 41 GLU N 2.800 2.400 3.300 3.141 2.917 3.422 0.122 7 0 "[ . 1 . 2]" 2
25 1 38 ARG O 1 42 LEU H 1.800 . 2.300 2.165 1.968 2.382 0.082 18 0 "[ . 1 . 2]" 2
26 1 38 ARG O 1 42 LEU N 2.800 2.400 3.300 3.123 2.899 3.342 0.042 18 0 "[ . 1 . 2]" 2
27 1 39 TYR O 1 43 ALA H 1.800 . 2.300 2.249 1.884 2.637 0.337 11 0 "[ . 1 . 2]" 2
28 1 39 TYR O 1 43 ALA N 2.800 2.400 3.300 3.050 2.758 3.386 0.086 11 0 "[ . 1 . 2]" 2
29 1 40 VAL O 1 44 LEU H 1.800 . 2.300 1.843 1.616 2.094 . 0 0 "[ . 1 . 2]" 2
30 1 40 VAL O 1 44 LEU N 2.800 2.400 3.300 2.772 2.533 3.010 . 0 0 "[ . 1 . 2]" 2
31 1 41 GLU O 1 45 LEU H 1.800 . 2.300 2.050 1.725 2.299 . 0 0 "[ . 1 . 2]" 2
32 1 41 GLU O 1 45 LEU N 2.800 2.400 3.300 3.006 2.696 3.247 . 0 0 "[ . 1 . 2]" 2
33 1 42 LEU O 1 46 VAL H 1.800 . 2.300 1.897 1.650 2.120 . 0 0 "[ . 1 . 2]" 2
34 1 42 LEU O 1 46 VAL N 2.800 2.400 3.300 2.845 2.613 3.082 . 0 0 "[ . 1 . 2]" 2
35 1 43 ALA O 1 47 GLN H 1.800 . 2.300 1.892 1.782 2.089 . 0 0 "[ . 1 . 2]" 2
36 1 43 ALA O 1 47 GLN N 2.800 2.400 3.300 2.754 2.614 2.953 . 0 0 "[ . 1 . 2]" 2
37 1 44 LEU O 1 48 GLN H 1.800 . 2.300 2.146 1.984 2.325 0.025 17 0 "[ . 1 . 2]" 2
38 1 44 LEU O 1 48 GLN N 2.800 2.400 3.300 3.120 2.960 3.280 . 0 0 "[ . 1 . 2]" 2
39 1 45 LEU O 1 49 LYS H 1.800 . 2.300 2.331 2.066 2.670 0.370 7 0 "[ . 1 . 2]" 2
40 1 45 LEU O 1 49 LYS N 2.800 2.400 3.300 3.259 3.029 3.571 0.271 7 0 "[ . 1 . 2]" 2
41 1 46 VAL O 1 50 ALA H 1.800 . 2.300 1.744 1.566 1.923 . 0 0 "[ . 1 . 2]" 2
42 1 46 VAL O 1 50 ALA N 2.800 2.400 3.300 2.700 2.512 2.900 . 0 0 "[ . 1 . 2]" 2
43 1 77 ARG O 1 91 LYS H 1.800 . 2.300 2.095 1.785 2.419 0.119 15 0 "[ . 1 . 2]" 2
44 1 77 ARG O 1 91 LYS N 2.800 2.400 3.300 3.011 2.736 3.311 0.011 15 0 "[ . 1 . 2]" 2
45 1 79 ARG O 1 89 VAL H 1.800 . 2.300 2.056 1.900 2.249 . 0 0 "[ . 1 . 2]" 2
46 1 79 ARG O 1 89 VAL N 2.800 2.400 3.300 2.989 2.846 3.164 . 0 0 "[ . 1 . 2]" 2
47 1 81 ARG O 1 87 HIS H 1.800 . 2.300 2.813 2.605 3.573 1.273 2 6 "[ + -* * ** . 2]" 2
48 1 81 ARG O 1 87 HIS N 2.800 2.400 3.300 3.716 3.500 4.542 1.242 2 2 "[ + .- 1 . 2]" 2
49 1 86 PRO O 1 103 TYR N 2.800 2.400 3.300 2.945 2.611 3.234 . 0 0 "[ . 1 . 2]" 2
50 1 81 ARG H 1 87 HIS O 1.800 . 2.300 1.982 1.734 2.168 . 0 0 "[ . 1 . 2]" 2
51 1 81 ARG N 1 87 HIS O 2.800 2.400 3.300 2.943 2.683 3.128 . 0 0 "[ . 1 . 2]" 2
52 1 88 ILE O 1 101 TYR H 1.800 . 2.300 1.911 1.711 2.069 . 0 0 "[ . 1 . 2]" 2
53 1 88 ILE O 1 101 TYR N 2.800 2.400 3.300 2.866 2.636 3.031 . 0 0 "[ . 1 . 2]" 2
54 1 79 ARG H 1 89 VAL O 1.800 . 2.300 2.146 1.925 2.456 0.156 6 0 "[ . 1 . 2]" 2
55 1 79 ARG N 1 89 VAL O 2.800 2.400 3.300 3.072 2.864 3.356 0.056 6 0 "[ . 1 . 2]" 2
56 1 90 VAL O 1 99 MET H 1.800 . 2.300 1.628 1.552 1.685 . 0 0 "[ . 1 . 2]" 2
57 1 90 VAL O 1 99 MET N 2.800 2.400 3.300 2.590 2.525 2.655 . 0 0 "[ . 1 . 2]" 2
58 1 77 ARG H 1 91 LYS O 1.800 . 2.300 1.941 1.771 2.138 . 0 0 "[ . 1 . 2]" 2
59 1 77 ARG N 1 91 LYS O 2.800 2.400 3.300 2.843 2.696 3.023 . 0 0 "[ . 1 . 2]" 2
60 1 92 CYS O 1 97 HIS H 1.800 . 2.300 2.758 2.563 3.047 0.747 15 7 "[* *-. * *+ * 2]" 2
61 1 92 CYS O 1 97 HIS N 2.800 2.400 3.300 3.526 3.359 3.702 0.402 14 0 "[ . 1 . 2]" 2
62 1 92 CYS H 1 97 HIS O 1.800 . 2.300 2.195 1.730 2.627 0.327 15 0 "[ . 1 . 2]" 2
63 1 92 CYS N 1 97 HIS O 2.800 2.400 3.300 3.113 2.702 3.450 0.150 15 0 "[ . 1 . 2]" 2
64 1 90 VAL H 1 99 MET O 1.800 . 2.300 1.697 1.581 1.829 . 0 0 "[ . 1 . 2]" 2
65 1 90 VAL N 1 99 MET O 2.800 2.400 3.300 2.657 2.559 2.788 . 0 0 "[ . 1 . 2]" 2
66 1 88 ILE H 1 101 TYR O 1.800 . 2.300 2.063 1.784 2.371 0.071 13 0 "[ . 1 . 2]" 2
67 1 88 ILE N 1 101 TYR O 2.800 2.400 3.300 3.022 2.761 3.338 0.038 13 0 "[ . 1 . 2]" 2
68 1 86 PRO N 1 103 TYR O 2.800 2.400 3.300 3.414 2.687 3.653 0.353 9 0 "[ . 1 . 2]" 2
stop_
save_