NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562044 |
2m7o   |
19198 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7o
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 884
_Distance_constraint_stats_list.Viol_count 1945
_Distance_constraint_stats_list.Viol_total 5608.970
_Distance_constraint_stats_list.Viol_max 1.689
_Distance_constraint_stats_list.Viol_rms 0.0821
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.1442
_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 3 ASP 1.185 0.401 18 0 "[ . 1 . 2]"
1 4 ARG 0.886 0.336 6 0 "[ . 1 . 2]"
1 5 LYS 7.998 1.225 7 4 "[ * + 1 - . * 2]"
1 6 LEU 13.086 1.225 7 11 "[ ****+ *1** *- * 2]"
1 7 MET 17.582 0.711 4 9 "[ *+.-* *1* ** * 2]"
1 8 LYS 3.311 0.123 20 0 "[ . 1 . 2]"
1 9 THR 5.839 0.346 18 0 "[ . 1 . 2]"
1 10 GLN 12.293 0.468 1 0 "[ . 1 . 2]"
1 11 GLU 4.722 0.468 1 0 "[ . 1 . 2]"
1 12 GLU 0.911 0.078 16 0 "[ . 1 . 2]"
1 13 LEU 9.257 0.891 1 1 "[+ . 1 . 2]"
1 14 THR 2.462 0.572 18 1 "[ . 1 . + 2]"
1 15 GLU 6.193 1.479 18 5 "[ .* 1 * . -+ *]"
1 16 ILE 1.465 0.101 3 0 "[ . 1 . 2]"
1 17 VAL 10.039 1.304 20 9 "[* * *** **. -+]"
1 18 ARG 13.192 1.479 18 5 "[ .* 1 * . *+ *]"
1 19 ASP 5.097 1.094 6 4 "[ .+ 1 . ** -]"
1 20 HIS 1.547 0.099 8 0 "[ . 1 . 2]"
1 21 PHE 24.817 1.304 20 14 "[* -*** *** **.* **+]"
1 22 SER 0.656 0.098 8 0 "[ . 1 . 2]"
1 23 ASP 5.792 0.491 5 0 "[ . 1 . 2]"
1 24 MET 0.745 0.098 19 0 "[ . 1 . 2]"
1 25 GLY 0.563 0.079 6 0 "[ . 1 . 2]"
1 26 GLU 1.294 0.182 20 0 "[ . 1 . 2]"
1 27 ILE 5.343 0.346 10 0 "[ . 1 . 2]"
1 28 ALA 2.763 0.309 20 0 "[ . 1 . 2]"
1 29 THR 2.378 0.113 3 0 "[ . 1 . 2]"
1 30 LEU 7.270 0.908 20 4 "[- .* 1 . *+]"
1 31 TYR 15.843 0.427 17 0 "[ . 1 . 2]"
1 32 VAL 12.700 0.427 17 0 "[ . 1 . 2]"
1 33 GLN 17.509 0.645 19 4 "[ * . - 1 *. +2]"
1 34 VAL 8.850 0.645 19 4 "[ * . - 1 *. +2]"
1 35 TYR 6.856 0.507 2 1 "[ + . 1 . 2]"
1 36 GLU 11.062 1.272 1 5 "[+ .- 1 *. * *2]"
1 37 SER 2.900 0.507 2 1 "[ + . 1 . 2]"
1 38 SER 0.606 0.085 11 0 "[ . 1 . 2]"
1 39 LEU 20.322 1.272 1 10 "[+* **- 1 * *.** *2]"
1 40 GLU 4.446 0.835 1 1 "[+ . 1 . 2]"
1 41 SER 12.501 0.906 12 7 "[ * *** 1 + .-* 2]"
1 42 LEU 8.058 0.345 13 0 "[ . 1 . 2]"
1 43 VAL 2.115 0.111 6 0 "[ . 1 . 2]"
1 44 GLY 0.553 0.259 7 0 "[ . 1 . 2]"
1 45 GLY 3.788 0.330 14 0 "[ . 1 . 2]"
1 46 VAL 8.842 0.908 20 4 "[- .* 1 . *+]"
1 47 ILE 20.517 1.056 12 13 "[**- *** ** + .** **]"
1 48 PHE 10.563 1.689 6 6 "[ *.+ ** - . * 2]"
1 49 GLU 2.002 0.093 15 0 "[ . 1 . 2]"
1 50 ASP 3.339 0.442 15 0 "[ . 1 . 2]"
1 51 GLY 2.431 0.096 2 0 "[ . 1 . 2]"
1 52 ARG 11.055 1.689 6 6 "[ *.+ ** - . * 2]"
1 53 HIS 21.321 1.056 12 13 "[**- *** ** + .** **]"
1 54 TYR 8.876 0.673 14 3 "[ * . - 1 +. 2]"
1 55 THR 7.467 0.922 7 2 "[ - . + 1 . 2]"
1 56 PHE 12.125 1.083 5 11 "[* -+** ** **.* * 2]"
1 57 VAL 0.935 0.080 3 0 "[ . 1 . 2]"
1 58 TYR 31.794 1.602 10 15 "[*** ** * + -**** ***]"
1 59 GLU 2.623 0.320 13 0 "[ . 1 . 2]"
1 60 ASN 2.304 0.165 15 0 "[ . 1 . 2]"
1 61 GLU 3.892 0.320 13 0 "[ . 1 . 2]"
1 62 ASP 1.025 0.113 11 0 "[ . 1 . 2]"
1 63 LEU 29.869 1.602 10 15 "[*** ** * + -**** ***]"
1 64 VAL 1.097 0.112 9 0 "[ . 1 . 2]"
1 65 TYR 15.348 1.326 5 11 "[** *+** *1 *.-** 2]"
1 66 GLU 13.798 1.326 5 10 "[** *+** *1 .-** 2]"
1 67 GLU 6.598 0.408 4 0 "[ . 1 . 2]"
1 68 GLU 2.906 1.121 4 1 "[ +. 1 . 2]"
1 69 VAL 0.997 0.510 4 1 "[ +. 1 . 2]"
1 70 LEU 2.366 1.121 4 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 3 ASP H 1 3 ASP HB3 . . 3.760 3.121 2.258 4.161 0.401 18 0 "[ . 1 . 2]" 1
2 1 3 ASP H 1 4 ARG H . . 3.730 2.964 1.678 3.798 0.068 9 0 "[ . 1 . 2]" 1
3 1 3 ASP H 1 4 ARG HB3 . . 5.500 4.976 3.870 5.836 0.336 6 0 "[ . 1 . 2]" 1
4 1 3 ASP HB3 1 4 ARG H . . 4.690 3.928 2.112 4.626 . 0 0 "[ . 1 . 2]" 1
5 1 4 ARG H 1 4 ARG HB3 . . 3.770 3.352 2.659 3.881 0.111 17 0 "[ . 1 . 2]" 1
6 1 5 LYS H 1 5 LYS HA . . 2.780 2.861 2.834 2.877 0.097 18 0 "[ . 1 . 2]" 1
7 1 5 LYS H 1 5 LYS HB3 . . 3.460 2.863 2.395 3.469 0.009 7 0 "[ . 1 . 2]" 1
8 1 5 LYS H 1 5 LYS HG3 . . 5.500 4.319 2.483 4.757 . 0 0 "[ . 1 . 2]" 1
9 1 5 LYS HA 1 5 LYS HG3 . . 3.590 2.718 2.227 3.761 0.171 4 0 "[ . 1 . 2]" 1
10 1 5 LYS HA 1 6 LEU H . . 2.780 2.339 2.139 2.852 0.072 13 0 "[ . 1 . 2]" 1
11 1 5 LYS HA 1 6 LEU HG . . 4.110 4.007 3.465 4.194 0.084 6 0 "[ . 1 . 2]" 1
12 1 5 LYS HB3 1 6 LEU QD . . 4.780 4.613 3.881 5.010 0.230 4 0 "[ . 1 . 2]" 1
13 1 5 LYS HG3 1 6 LEU H . . 4.390 3.683 2.114 4.459 0.069 3 0 "[ . 1 . 2]" 1
14 1 5 LYS HG3 1 6 LEU HA . . 5.240 5.171 3.637 6.465 1.225 7 4 "[ * + 1 - . * 2]" 1
15 1 6 LEU H 1 6 LEU QD . . 4.070 3.220 1.884 3.588 . 0 0 "[ . 1 . 2]" 1
16 1 6 LEU H 1 6 LEU HG . . 3.000 2.830 2.383 3.084 0.084 12 0 "[ . 1 . 2]" 1
17 1 6 LEU H 1 7 MET HA . . 5.500 4.960 4.407 5.323 . 0 0 "[ . 1 . 2]" 1
18 1 6 LEU HA 1 6 LEU QD . . 3.250 2.315 2.101 3.224 . 0 0 "[ . 1 . 2]" 1
19 1 6 LEU HA 1 6 LEU HG . . 4.110 3.311 3.013 3.810 . 0 0 "[ . 1 . 2]" 1
20 1 6 LEU HA 1 7 MET H . . 2.530 2.353 2.190 2.551 0.021 4 0 "[ . 1 . 2]" 1
21 1 6 LEU HA 1 7 MET HB3 . . 5.140 5.222 4.141 5.851 0.711 4 9 "[ *+.** *1* *- * 2]" 1
22 1 7 MET H 1 7 MET HB3 . . 3.120 3.289 2.707 3.690 0.570 18 2 "[ .- 1 . + 2]" 1
23 1 7 MET H 1 7 MET ME . . 5.170 4.512 4.101 4.813 . 0 0 "[ . 1 . 2]" 1
24 1 7 MET H 1 7 MET HG3 . . 3.530 3.273 1.755 3.853 0.323 4 0 "[ . 1 . 2]" 1
25 1 7 MET H 1 8 LYS H . . 4.410 4.457 4.234 4.502 0.092 6 0 "[ . 1 . 2]" 1
26 1 7 MET HA 1 7 MET HG3 . . 4.150 3.743 3.597 3.795 . 0 0 "[ . 1 . 2]" 1
27 1 7 MET HA 1 8 LYS H . . 2.660 2.478 2.270 2.725 0.065 1 0 "[ . 1 . 2]" 1
28 1 7 MET HA 1 40 GLU HG3 . . 4.970 4.516 3.372 5.038 0.068 10 0 "[ . 1 . 2]" 1
29 1 7 MET HB3 1 8 LYS H . . 4.130 2.894 2.073 3.760 . 0 0 "[ . 1 . 2]" 1
30 1 7 MET ME 1 8 LYS H . . 5.320 2.850 2.038 3.561 . 0 0 "[ . 1 . 2]" 1
31 1 7 MET ME 1 8 LYS HA . . 5.070 4.944 4.241 5.193 0.123 20 0 "[ . 1 . 2]" 1
32 1 7 MET ME 1 38 SER HA . . 4.150 3.619 2.804 4.234 0.084 8 0 "[ . 1 . 2]" 1
33 1 7 MET ME 1 39 LEU QD . . 4.950 3.882 2.824 4.755 . 0 0 "[ . 1 . 2]" 1
34 1 7 MET ME 1 40 GLU H . . 4.840 4.308 3.412 4.925 0.085 12 0 "[ . 1 . 2]" 1
35 1 7 MET HG3 1 8 LYS H . . 4.950 4.238 3.210 5.009 0.059 18 0 "[ . 1 . 2]" 1
36 1 8 LYS H 1 8 LYS HG3 . . 3.940 2.683 2.101 3.692 . 0 0 "[ . 1 . 2]" 1
37 1 8 LYS H 1 9 THR H . . 5.060 4.621 4.506 4.699 . 0 0 "[ . 1 . 2]" 1
38 1 8 LYS H 1 13 LEU QD . . 5.500 4.173 3.813 4.592 . 0 0 "[ . 1 . 2]" 1
39 1 8 LYS H 1 40 GLU HG3 . . 4.380 2.862 1.866 3.750 . 0 0 "[ . 1 . 2]" 1
40 1 8 LYS HA 1 8 LYS HG3 . . 3.830 3.236 2.855 3.760 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS HA 1 9 THR H . . 2.710 2.525 2.222 2.758 0.048 1 0 "[ . 1 . 2]" 1
42 1 8 LYS HA 1 13 LEU QD . . 4.800 4.360 3.920 4.670 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS HG3 1 9 THR H . . 4.930 4.858 4.540 5.000 0.070 19 0 "[ . 1 . 2]" 1
44 1 8 LYS HG3 1 13 LEU QD . . 4.650 3.583 2.133 4.079 . 0 0 "[ . 1 . 2]" 1
45 1 8 LYS HG3 1 40 GLU HA . . 5.000 4.789 3.828 5.076 0.076 12 0 "[ . 1 . 2]" 1
46 1 9 THR H 1 9 THR MG . . 3.050 2.881 2.267 3.160 0.110 3 0 "[ . 1 . 2]" 1
47 1 9 THR H 1 12 GLU H . . 4.000 3.157 2.896 3.382 . 0 0 "[ . 1 . 2]" 1
48 1 9 THR H 1 12 GLU HA . . 5.190 4.910 4.553 5.231 0.041 8 0 "[ . 1 . 2]" 1
49 1 9 THR H 1 12 GLU HB3 . . 4.560 3.699 3.080 4.080 . 0 0 "[ . 1 . 2]" 1
50 1 9 THR H 1 12 GLU HG3 . . 4.710 2.789 1.985 3.349 . 0 0 "[ . 1 . 2]" 1
51 1 9 THR H 1 13 LEU H . . 4.520 3.819 2.993 4.384 . 0 0 "[ . 1 . 2]" 1
52 1 9 THR H 1 13 LEU QD . . 5.500 3.730 2.976 4.854 . 0 0 "[ . 1 . 2]" 1
53 1 9 THR HA 1 9 THR HB . . 2.870 2.520 2.378 2.601 . 0 0 "[ . 1 . 2]" 1
54 1 9 THR HA 1 9 THR MG . . 3.110 2.310 2.214 2.422 . 0 0 "[ . 1 . 2]" 1
55 1 9 THR HA 1 10 GLN H . . 2.830 2.481 2.383 2.605 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR HA 1 10 GLN HA . . 4.540 4.392 4.289 4.521 . 0 0 "[ . 1 . 2]" 1
57 1 9 THR HA 1 10 GLN HB3 . . 4.990 5.168 4.850 5.336 0.346 18 0 "[ . 1 . 2]" 1
58 1 9 THR HA 1 11 GLU H . . 4.480 4.314 4.057 4.537 0.057 17 0 "[ . 1 . 2]" 1
59 1 9 THR HA 1 35 TYR QE . . 4.630 3.548 2.859 4.649 0.019 19 0 "[ . 1 . 2]" 1
60 1 9 THR HB 1 10 GLN H . . 3.180 2.346 2.083 2.597 . 0 0 "[ . 1 . 2]" 1
61 1 9 THR HB 1 11 GLU H . . 3.020 2.690 2.305 3.091 0.071 13 0 "[ . 1 . 2]" 1
62 1 9 THR MG 1 10 GLN H . . 3.950 3.581 3.315 3.848 . 0 0 "[ . 1 . 2]" 1
63 1 9 THR MG 1 11 GLU H . . 4.280 4.237 3.965 4.378 0.098 5 0 "[ . 1 . 2]" 1
64 1 9 THR MG 1 12 GLU H . . 4.600 4.285 3.824 4.678 0.078 16 0 "[ . 1 . 2]" 1
65 1 10 GLN H 1 10 GLN HB3 . . 3.260 2.701 2.414 2.909 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLN H 1 10 GLN HG3 . . 4.450 4.422 4.226 4.568 0.118 20 0 "[ . 1 . 2]" 1
67 1 10 GLN H 1 11 GLU H . . 3.650 2.700 2.475 3.032 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLN H 1 11 GLU HA . . 5.420 5.293 5.114 5.471 0.051 17 0 "[ . 1 . 2]" 1
69 1 10 GLN H 1 12 GLU H . . 4.720 4.470 4.225 4.761 0.041 17 0 "[ . 1 . 2]" 1
70 1 10 GLN H 1 35 TYR QD . . 5.500 4.724 4.336 5.551 0.051 19 0 "[ . 1 . 2]" 1
71 1 10 GLN H 1 35 TYR QE . . 4.580 3.347 2.991 3.987 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLN HA 1 10 GLN HG3 . . 3.590 3.473 2.278 3.814 0.224 4 0 "[ . 1 . 2]" 1
73 1 10 GLN HA 1 12 GLU H . . 5.320 4.707 4.516 4.970 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLN HA 1 13 LEU H . . 4.090 3.733 3.465 3.980 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLN HA 1 13 LEU HB3 . . 4.670 4.528 4.101 4.753 0.083 4 0 "[ . 1 . 2]" 1
76 1 10 GLN HA 1 13 LEU QD . . 4.410 3.097 2.484 3.672 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLN HA 1 14 THR H . . 5.040 4.040 3.790 4.454 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLN HA 1 35 TYR QD . . 4.530 2.966 2.419 3.474 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLN HA 1 35 TYR QE . . 4.350 2.715 2.162 3.299 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLN HB3 1 11 GLU H . . 4.140 2.725 2.447 3.090 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLN HB3 1 35 TYR QD . . 4.870 4.889 4.400 5.314 0.444 12 0 "[ . 1 . 2]" 1
82 1 10 GLN HE21 1 32 VAL HB . . 4.430 3.512 2.180 4.542 0.112 11 0 "[ . 1 . 2]" 1
83 1 10 GLN HE21 1 32 VAL QG . . 3.640 2.231 1.987 2.551 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLN HE22 1 32 VAL HB . . 4.470 3.884 2.293 4.550 0.080 15 0 "[ . 1 . 2]" 1
85 1 10 GLN HE22 1 32 VAL QG . . 4.160 2.458 2.081 3.538 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLN HG3 1 11 GLU H . . 5.030 5.035 4.028 5.498 0.468 1 0 "[ . 1 . 2]" 1
87 1 10 GLN HG3 1 32 VAL QG . . 4.430 4.152 2.624 4.814 0.384 7 0 "[ . 1 . 2]" 1
88 1 10 GLN HG3 1 35 TYR QD . . 5.330 3.744 2.936 4.710 . 0 0 "[ . 1 . 2]" 1
89 1 10 GLN HG3 1 35 TYR QE . . 5.330 4.415 3.558 5.213 . 0 0 "[ . 1 . 2]" 1
90 1 11 GLU H 1 11 GLU HB3 . . 3.470 3.151 2.730 3.530 0.060 5 0 "[ . 1 . 2]" 1
91 1 11 GLU H 1 11 GLU HG3 . . 3.980 3.603 2.625 4.056 0.076 1 0 "[ . 1 . 2]" 1
92 1 11 GLU H 1 12 GLU H . . 3.460 2.896 2.685 3.130 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLU H 1 13 LEU H . . 4.850 4.446 4.257 4.631 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLU H 1 14 THR H . . 5.500 4.860 4.717 5.049 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLU H 1 14 THR HB . . 5.330 5.186 4.892 5.397 0.067 1 0 "[ . 1 . 2]" 1
96 1 11 GLU HA 1 11 GLU HG3 . . 3.420 2.509 2.154 3.494 0.074 1 0 "[ . 1 . 2]" 1
97 1 11 GLU HA 1 14 THR H . . 4.230 3.812 3.529 4.117 . 0 0 "[ . 1 . 2]" 1
98 1 11 GLU HA 1 14 THR HB . . 3.260 2.972 2.667 3.329 0.069 5 0 "[ . 1 . 2]" 1
99 1 11 GLU HA 1 14 THR MG . . 4.560 4.203 3.836 4.634 0.074 14 0 "[ . 1 . 2]" 1
100 1 11 GLU HA 1 15 GLU H . . 4.500 3.974 3.737 4.139 . 0 0 "[ . 1 . 2]" 1
101 1 11 GLU HB3 1 12 GLU H . . 3.820 2.636 2.261 3.085 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU H 1 12 GLU HB3 . . 3.710 3.557 3.411 3.617 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU H 1 12 GLU HG3 . . 3.890 2.725 2.007 3.630 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU H 1 13 LEU H . . 3.230 2.888 2.750 3.033 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU H 1 14 THR H . . 4.420 4.305 4.128 4.459 0.039 4 0 "[ . 1 . 2]" 1
106 1 12 GLU H 1 14 THR HB . . 5.500 5.345 5.101 5.568 0.068 18 0 "[ . 1 . 2]" 1
107 1 12 GLU HA 1 12 GLU HG3 . . 3.560 3.329 2.993 3.631 0.071 2 0 "[ . 1 . 2]" 1
108 1 12 GLU HA 1 16 ILE MD . . 5.500 4.064 3.628 4.521 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLU HB3 1 13 LEU H . . 3.600 3.295 2.789 3.629 0.029 7 0 "[ . 1 . 2]" 1
110 1 12 GLU HB3 1 13 LEU QD . . 4.180 3.446 2.777 4.155 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLU HG3 1 13 LEU H . . 4.910 4.552 4.143 4.759 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU H 1 13 LEU HB3 . . 3.630 3.584 3.483 3.667 0.037 20 0 "[ . 1 . 2]" 1
113 1 13 LEU H 1 13 LEU QD . . 3.690 2.641 1.961 3.182 . 0 0 "[ . 1 . 2]" 1
114 1 13 LEU H 1 14 THR HA . . 5.490 5.396 5.251 5.474 . 0 0 "[ . 1 . 2]" 1
115 1 13 LEU H 1 14 THR HB . . 5.390 4.942 4.668 5.235 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU H 1 15 GLU H . . 4.500 4.232 3.975 4.452 . 0 0 "[ . 1 . 2]" 1
117 1 13 LEU H 1 16 ILE MD . . 4.630 3.914 3.619 4.264 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU H 1 35 TYR QE . . 5.500 4.652 3.667 5.397 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU HA 1 13 LEU QD . . 2.930 2.116 2.028 2.314 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU HA 1 13 LEU HG . . 4.140 3.112 2.825 3.595 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU HA 1 16 ILE H . . 3.920 3.711 3.554 3.887 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU HA 1 16 ILE HB . . 3.500 3.010 2.589 3.273 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU HA 1 16 ILE MD . . 3.410 2.114 2.001 2.245 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU HA 1 16 ILE HG13 . . 4.820 3.943 3.773 4.065 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU HA 1 16 ILE MG . . 4.440 4.237 3.720 4.510 0.070 19 0 "[ . 1 . 2]" 1
126 1 13 LEU HA 1 17 VAL H . . 4.870 4.284 4.031 4.482 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HA 1 17 VAL QG . . 5.500 3.986 3.512 4.207 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU HA 1 58 TYR QE . . 5.500 4.603 3.446 5.459 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU HB3 1 13 LEU QD . . 3.270 2.372 2.161 2.619 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU HB3 1 14 THR H . . 3.600 3.562 3.253 3.673 0.073 18 0 "[ . 1 . 2]" 1
131 1 13 LEU HB3 1 17 VAL QG . . 4.220 4.148 3.815 4.250 0.030 2 0 "[ . 1 . 2]" 1
132 1 13 LEU HB3 1 35 TYR QD . . 5.110 4.253 3.539 4.915 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU HB3 1 36 GLU H . . 5.380 5.450 5.386 5.467 0.087 12 0 "[ . 1 . 2]" 1
134 1 13 LEU HB3 1 42 LEU HA . . 3.720 3.796 3.773 3.811 0.091 20 0 "[ . 1 . 2]" 1
135 1 13 LEU HB3 1 42 LEU HB3 . . 3.610 3.761 3.613 3.825 0.215 10 0 "[ . 1 . 2]" 1
136 1 13 LEU HB3 1 42 LEU QD . . 2.640 2.103 2.009 2.305 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU HB3 1 42 LEU HG . . 3.450 3.243 2.416 3.536 0.086 20 0 "[ . 1 . 2]" 1
138 1 13 LEU QD 1 14 THR H . . 5.130 4.065 3.858 4.254 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU QD 1 16 ILE H . . 5.360 4.926 4.754 5.211 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU QD 1 35 TYR HA . . 5.500 3.780 3.220 4.398 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU QD 1 35 TYR QD . . 3.980 2.346 2.048 2.631 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU QD 1 35 TYR QE . . 3.150 2.202 2.006 2.408 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU QD 1 36 GLU HB3 . . 4.130 4.005 3.601 5.021 0.891 1 1 "[+ . 1 . 2]" 1
144 1 13 LEU QD 1 40 GLU HA . . 3.460 1.991 1.820 2.201 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU QD 1 40 GLU HB3 . . 4.310 2.148 2.093 2.223 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU QD 1 41 SER H . . 4.850 2.357 2.029 2.781 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU QD 1 41 SER HA . . 5.130 3.721 3.301 4.128 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU QD 1 58 TYR QD . . 4.040 3.445 2.681 4.016 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU QD 1 58 TYR QE . . 3.690 3.369 2.894 3.748 0.058 8 0 "[ . 1 . 2]" 1
150 1 13 LEU HG 1 35 TYR QE . . 5.260 4.354 2.489 5.337 0.077 5 0 "[ . 1 . 2]" 1
151 1 14 THR H 1 14 THR HB . . 3.180 2.456 2.197 2.657 . 0 0 "[ . 1 . 2]" 1
152 1 14 THR H 1 14 THR MG . . 3.810 3.751 3.682 3.798 . 0 0 "[ . 1 . 2]" 1
153 1 14 THR H 1 15 GLU H . . 3.430 2.702 2.505 2.893 . 0 0 "[ . 1 . 2]" 1
154 1 14 THR H 1 16 ILE H . . 4.850 4.290 4.059 4.508 . 0 0 "[ . 1 . 2]" 1
155 1 14 THR H 1 42 LEU QD . . 4.270 3.298 2.973 3.795 . 0 0 "[ . 1 . 2]" 1
156 1 14 THR HA 1 14 THR MG . . 3.160 2.459 2.319 2.675 . 0 0 "[ . 1 . 2]" 1
157 1 14 THR HA 1 17 VAL H . . 4.550 3.686 3.345 4.017 . 0 0 "[ . 1 . 2]" 1
158 1 14 THR HA 1 17 VAL HB . . 3.540 3.004 2.596 3.610 0.070 17 0 "[ . 1 . 2]" 1
159 1 14 THR HA 1 17 VAL QG . . 3.800 3.542 3.368 3.756 . 0 0 "[ . 1 . 2]" 1
160 1 14 THR HA 1 30 LEU QD . . 5.500 3.554 2.772 4.172 . 0 0 "[ . 1 . 2]" 1
161 1 14 THR HA 1 42 LEU QD . . 3.490 2.539 2.055 3.172 . 0 0 "[ . 1 . 2]" 1
162 1 14 THR HB 1 15 GLU H . . 3.460 2.712 2.461 2.946 . 0 0 "[ . 1 . 2]" 1
163 1 14 THR HB 1 30 LEU QD . . 5.440 4.525 4.140 4.950 . 0 0 "[ . 1 . 2]" 1
164 1 14 THR MG 1 15 GLU H . . 4.010 3.529 2.893 3.905 . 0 0 "[ . 1 . 2]" 1
165 1 14 THR MG 1 15 GLU HA . . 5.430 3.626 2.980 4.028 . 0 0 "[ . 1 . 2]" 1
166 1 14 THR MG 1 17 VAL QG . . 5.500 4.239 3.760 4.718 . 0 0 "[ . 1 . 2]" 1
167 1 14 THR MG 1 18 ARG H . . 4.790 4.019 3.872 4.318 . 0 0 "[ . 1 . 2]" 1
168 1 14 THR MG 1 18 ARG HB3 . . 4.990 4.231 3.863 4.641 . 0 0 "[ . 1 . 2]" 1
169 1 14 THR MG 1 18 ARG HD3 . . 5.210 4.734 3.900 5.782 0.572 18 1 "[ . 1 . + 2]" 1
170 1 14 THR MG 1 30 LEU QD . . 3.060 2.152 1.896 2.522 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLU H 1 15 GLU HG3 . . 3.880 3.666 2.378 3.949 0.069 13 0 "[ . 1 . 2]" 1
172 1 15 GLU H 1 16 ILE H . . 3.110 2.765 2.525 2.899 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLU HA 1 15 GLU HG3 . . 3.760 3.685 2.946 3.829 0.069 17 0 "[ . 1 . 2]" 1
174 1 15 GLU HA 1 18 ARG H . . 3.850 3.439 3.079 3.655 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLU HA 1 18 ARG HA . . 5.500 5.277 4.955 5.534 0.034 6 0 "[ . 1 . 2]" 1
176 1 15 GLU HA 1 18 ARG HB3 . . 2.830 2.592 2.306 2.907 0.077 7 0 "[ . 1 . 2]" 1
177 1 15 GLU HA 1 18 ARG HD3 . . 4.400 4.013 2.915 5.879 1.479 18 5 "[ .* 1 * . -+ *]" 1
178 1 15 GLU HA 1 19 ASP H . . 4.550 3.673 3.389 3.935 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE H 1 16 ILE HB . . 3.120 2.432 2.301 2.541 . 0 0 "[ . 1 . 2]" 1
180 1 16 ILE H 1 16 ILE MD . . 3.900 3.270 3.141 3.392 . 0 0 "[ . 1 . 2]" 1
181 1 16 ILE H 1 16 ILE HG13 . . 3.880 2.238 2.053 2.389 . 0 0 "[ . 1 . 2]" 1
182 1 16 ILE H 1 16 ILE MG . . 4.640 3.764 3.689 3.812 . 0 0 "[ . 1 . 2]" 1
183 1 16 ILE H 1 17 VAL H . . 3.570 2.885 2.803 2.985 . 0 0 "[ . 1 . 2]" 1
184 1 16 ILE H 1 17 VAL QG . . 5.500 4.308 4.048 4.523 . 0 0 "[ . 1 . 2]" 1
185 1 16 ILE H 1 18 ARG H . . 4.870 4.133 3.853 4.339 . 0 0 "[ . 1 . 2]" 1
186 1 16 ILE HA 1 16 ILE MD . . 4.220 3.948 3.894 4.009 . 0 0 "[ . 1 . 2]" 1
187 1 16 ILE HA 1 16 ILE HG13 . . 3.280 2.802 2.718 2.933 . 0 0 "[ . 1 . 2]" 1
188 1 16 ILE HA 1 16 ILE MG . . 3.310 2.502 2.346 2.568 . 0 0 "[ . 1 . 2]" 1
189 1 16 ILE HA 1 18 ARG H . . 5.500 4.537 4.269 4.804 . 0 0 "[ . 1 . 2]" 1
190 1 16 ILE HA 1 19 ASP H . . 4.170 3.807 3.549 3.951 . 0 0 "[ . 1 . 2]" 1
191 1 16 ILE HA 1 19 ASP HB3 . . 3.920 3.180 2.733 3.942 0.022 11 0 "[ . 1 . 2]" 1
192 1 16 ILE HA 1 20 HIS H . . 5.200 4.470 3.976 5.212 0.012 14 0 "[ . 1 . 2]" 1
193 1 16 ILE HB 1 17 VAL H . . 3.340 2.357 2.135 2.574 . 0 0 "[ . 1 . 2]" 1
194 1 16 ILE HB 1 17 VAL QG . . 4.790 2.986 2.735 3.387 . 0 0 "[ . 1 . 2]" 1
195 1 16 ILE MD 1 17 VAL H . . 5.230 4.235 3.901 4.458 . 0 0 "[ . 1 . 2]" 1
196 1 16 ILE HG13 1 16 ILE MG . . 3.700 3.200 3.171 3.224 . 0 0 "[ . 1 . 2]" 1
197 1 16 ILE MG 1 17 VAL H . . 3.900 3.073 2.845 3.309 . 0 0 "[ . 1 . 2]" 1
198 1 16 ILE MG 1 17 VAL HA . . 4.870 3.217 2.947 3.555 . 0 0 "[ . 1 . 2]" 1
199 1 16 ILE MG 1 19 ASP H . . 5.060 5.082 4.896 5.161 0.101 3 0 "[ . 1 . 2]" 1
200 1 16 ILE MG 1 20 HIS H . . 5.350 4.607 4.243 5.276 . 0 0 "[ . 1 . 2]" 1
201 1 16 ILE MG 1 20 HIS HD2 . . 5.120 3.127 2.128 4.433 . 0 0 "[ . 1 . 2]" 1
202 1 16 ILE MG 1 20 HIS HE1 . . 4.830 4.299 2.990 4.929 0.099 8 0 "[ . 1 . 2]" 1
203 1 17 VAL H 1 17 VAL HB . . 2.990 2.366 2.188 2.705 . 0 0 "[ . 1 . 2]" 1
204 1 17 VAL H 1 17 VAL QG . . 3.360 2.177 1.943 2.434 . 0 0 "[ . 1 . 2]" 1
205 1 17 VAL H 1 18 ARG H . . 3.310 2.733 2.615 2.932 . 0 0 "[ . 1 . 2]" 1
206 1 17 VAL HA 1 19 ASP H . . 5.280 4.682 4.404 4.957 . 0 0 "[ . 1 . 2]" 1
207 1 17 VAL HA 1 20 HIS HD2 . . 5.500 3.927 2.348 5.253 . 0 0 "[ . 1 . 2]" 1
208 1 17 VAL HB 1 18 ARG H . . 3.480 2.919 2.644 3.139 . 0 0 "[ . 1 . 2]" 1
209 1 17 VAL HB 1 30 LEU QD . . 4.680 3.534 2.818 4.280 . 0 0 "[ . 1 . 2]" 1
210 1 17 VAL QG 1 18 ARG H . . 4.440 3.316 3.038 3.569 . 0 0 "[ . 1 . 2]" 1
211 1 17 VAL QG 1 18 ARG HA . . 4.610 3.663 3.230 4.099 . 0 0 "[ . 1 . 2]" 1
212 1 17 VAL QG 1 20 HIS H . . 5.500 4.440 4.080 4.855 . 0 0 "[ . 1 . 2]" 1
213 1 17 VAL QG 1 21 PHE H . . 5.260 4.343 3.370 4.861 . 0 0 "[ . 1 . 2]" 1
214 1 17 VAL QG 1 21 PHE HB3 . . 4.130 4.513 3.176 5.434 1.304 20 9 "[* * *** **. -+]" 1
215 1 17 VAL QG 1 21 PHE QD . . 3.640 3.487 2.636 3.746 0.106 17 0 "[ . 1 . 2]" 1
216 1 17 VAL QG 1 42 LEU QD . . 3.820 2.015 1.739 2.785 . 0 0 "[ . 1 . 2]" 1
217 1 17 VAL QG 1 42 LEU HG . . 5.500 2.914 2.103 4.267 . 0 0 "[ . 1 . 2]" 1
218 1 17 VAL QG 1 56 PHE QE . . 3.660 2.638 2.026 3.618 . 0 0 "[ . 1 . 2]" 1
219 1 17 VAL QG 1 58 TYR H . . 5.500 4.135 3.729 4.748 . 0 0 "[ . 1 . 2]" 1
220 1 17 VAL QG 1 58 TYR HB3 . . 3.990 3.175 2.775 3.794 . 0 0 "[ . 1 . 2]" 1
221 1 17 VAL QG 1 58 TYR QD . . 3.900 3.402 2.519 3.929 0.029 19 0 "[ . 1 . 2]" 1
222 1 17 VAL QG 1 58 TYR QE . . 5.500 4.406 3.239 5.002 . 0 0 "[ . 1 . 2]" 1
223 1 17 VAL QG 1 63 LEU QD . . 4.060 2.564 1.752 3.224 . 0 0 "[ . 1 . 2]" 1
224 1 18 ARG H 1 18 ARG HB3 . . 3.460 2.623 2.417 3.056 . 0 0 "[ . 1 . 2]" 1
225 1 18 ARG H 1 18 ARG HG3 . . 4.750 4.325 3.700 4.472 . 0 0 "[ . 1 . 2]" 1
226 1 18 ARG H 1 19 ASP H . . 3.630 2.753 2.596 2.918 . 0 0 "[ . 1 . 2]" 1
227 1 18 ARG H 1 30 LEU QD . . 4.240 3.604 3.051 3.941 . 0 0 "[ . 1 . 2]" 1
228 1 18 ARG HA 1 20 HIS H . . 4.590 4.143 3.727 4.543 . 0 0 "[ . 1 . 2]" 1
229 1 18 ARG HA 1 21 PHE H . . 4.370 3.581 3.343 3.810 . 0 0 "[ . 1 . 2]" 1
230 1 18 ARG HA 1 21 PHE HB3 . . 3.910 3.832 2.902 4.753 0.843 20 1 "[ . 1 . +]" 1
231 1 18 ARG HA 1 22 SER H . . 5.080 4.052 3.536 4.654 . 0 0 "[ . 1 . 2]" 1
232 1 18 ARG HA 1 27 ILE MD . . 3.800 3.710 2.996 3.913 0.113 7 0 "[ . 1 . 2]" 1
233 1 18 ARG HA 1 30 LEU QD . . 3.640 2.800 2.046 3.396 . 0 0 "[ . 1 . 2]" 1
234 1 18 ARG HB3 1 18 ARG HD3 . . 3.930 2.736 2.268 3.753 . 0 0 "[ . 1 . 2]" 1
235 1 18 ARG HB3 1 19 ASP H . . 3.350 2.347 2.127 2.662 . 0 0 "[ . 1 . 2]" 1
236 1 18 ARG HD3 1 19 ASP H . . 4.840 4.730 3.779 5.934 1.094 6 4 "[ .+ 1 . ** -]" 1
237 1 18 ARG HG3 1 30 LEU QD . . 3.820 2.981 2.215 3.617 . 0 0 "[ . 1 . 2]" 1
238 1 19 ASP H 1 19 ASP HB3 . . 3.250 2.601 2.385 3.094 . 0 0 "[ . 1 . 2]" 1
239 1 19 ASP H 1 20 HIS H . . 3.490 2.710 2.558 2.952 . 0 0 "[ . 1 . 2]" 1
240 1 19 ASP HA 1 19 ASP HB3 . . 3.020 3.037 3.017 3.052 0.032 18 0 "[ . 1 . 2]" 1
241 1 19 ASP HA 1 22 SER H . . 4.060 3.651 3.157 4.066 0.006 6 0 "[ . 1 . 2]" 1
242 1 20 HIS H 1 20 HIS HB3 . . 3.640 3.585 3.373 3.716 0.076 17 0 "[ . 1 . 2]" 1
243 1 20 HIS H 1 20 HIS HD2 . . 5.240 3.502 2.359 5.089 . 0 0 "[ . 1 . 2]" 1
244 1 20 HIS H 1 21 PHE H . . 3.300 2.531 1.887 2.811 . 0 0 "[ . 1 . 2]" 1
245 1 20 HIS H 1 21 PHE HA . . 5.500 5.146 4.509 5.421 . 0 0 "[ . 1 . 2]" 1
246 1 20 HIS H 1 22 SER H . . 4.810 4.003 3.424 4.506 . 0 0 "[ . 1 . 2]" 1
247 1 20 HIS H 1 63 LEU QD . . 5.500 4.990 4.538 5.375 . 0 0 "[ . 1 . 2]" 1
248 1 20 HIS HA 1 22 SER H . . 5.380 4.613 4.256 4.946 . 0 0 "[ . 1 . 2]" 1
249 1 20 HIS HA 1 23 ASP H . . 4.770 4.674 3.984 4.849 0.079 2 0 "[ . 1 . 2]" 1
250 1 20 HIS HA 1 63 LEU QD . . 5.280 4.928 4.359 5.301 0.021 9 0 "[ . 1 . 2]" 1
251 1 20 HIS HB3 1 21 PHE H . . 4.170 3.584 3.025 4.243 0.073 2 0 "[ . 1 . 2]" 1
252 1 20 HIS HB3 1 63 LEU QD . . 4.400 3.019 2.383 3.445 . 0 0 "[ . 1 . 2]" 1
253 1 20 HIS HD2 1 21 PHE H . . 5.500 5.183 4.867 5.563 0.063 19 0 "[ . 1 . 2]" 1
254 1 20 HIS HD2 1 63 LEU QD . . 5.140 3.901 2.026 5.065 . 0 0 "[ . 1 . 2]" 1
255 1 21 PHE H 1 21 PHE HB3 . . 3.170 2.993 2.545 3.309 0.139 20 0 "[ . 1 . 2]" 1
256 1 21 PHE H 1 21 PHE QD . . 4.120 4.121 3.861 4.225 0.105 8 0 "[ . 1 . 2]" 1
257 1 21 PHE H 1 22 SER H . . 3.430 2.427 1.948 2.768 . 0 0 "[ . 1 . 2]" 1
258 1 21 PHE H 1 27 ILE MD . . 4.780 4.287 3.977 4.635 . 0 0 "[ . 1 . 2]" 1
259 1 21 PHE H 1 63 LEU QD . . 5.500 5.036 3.771 5.424 . 0 0 "[ . 1 . 2]" 1
260 1 21 PHE HA 1 21 PHE QD . . 3.410 2.321 1.976 2.752 . 0 0 "[ . 1 . 2]" 1
261 1 21 PHE HA 1 24 MET HB3 . . 5.020 4.448 2.402 5.091 0.071 16 0 "[ . 1 . 2]" 1
262 1 21 PHE HA 1 24 MET HG3 . . 5.090 3.401 2.236 5.188 0.098 19 0 "[ . 1 . 2]" 1
263 1 21 PHE HA 1 56 PHE HZ . . 4.660 4.440 3.790 4.739 0.079 4 0 "[ . 1 . 2]" 1
264 1 21 PHE HB3 1 22 SER H . . 4.000 3.350 2.938 3.651 . 0 0 "[ . 1 . 2]" 1
265 1 21 PHE HB3 1 27 ILE MD . . 3.620 2.160 2.001 2.446 . 0 0 "[ . 1 . 2]" 1
266 1 21 PHE HB3 1 27 ILE HG13 . . 5.500 3.891 3.135 4.741 . 0 0 "[ . 1 . 2]" 1
267 1 21 PHE HB3 1 30 LEU QD . . 5.500 3.849 2.888 4.974 . 0 0 "[ . 1 . 2]" 1
268 1 21 PHE HB3 1 56 PHE HZ . . 4.980 5.089 2.402 6.063 1.083 5 11 "[* -+** ** **.* * 2]" 1
269 1 21 PHE QD 1 23 ASP H . . 4.690 4.773 4.678 4.795 0.105 2 0 "[ . 1 . 2]" 1
270 1 21 PHE QD 1 24 MET H . . 4.450 3.619 3.222 4.401 . 0 0 "[ . 1 . 2]" 1
271 1 21 PHE QD 1 24 MET ME . . 4.620 2.652 2.128 3.071 . 0 0 "[ . 1 . 2]" 1
272 1 21 PHE QD 1 30 LEU QD . . 4.330 3.869 2.632 4.344 0.014 7 0 "[ . 1 . 2]" 1
273 1 21 PHE QD 1 46 VAL HB . . 5.500 4.299 3.430 5.052 . 0 0 "[ . 1 . 2]" 1
274 1 21 PHE QD 1 46 VAL QG . . 3.450 2.518 2.097 3.020 . 0 0 "[ . 1 . 2]" 1
275 1 21 PHE QD 1 63 LEU QD . . 5.500 4.293 2.521 4.742 . 0 0 "[ . 1 . 2]" 1
276 1 21 PHE QE 1 24 MET ME . . 4.590 2.948 2.392 3.886 . 0 0 "[ . 1 . 2]" 1
277 1 21 PHE QE 1 30 LEU QD . . 5.500 5.157 3.901 5.520 0.020 8 0 "[ . 1 . 2]" 1
278 1 21 PHE QE 1 46 VAL HB . . 5.280 4.251 2.243 5.357 0.077 9 0 "[ . 1 . 2]" 1
279 1 21 PHE QE 1 46 VAL QG . . 3.850 2.157 1.894 3.107 . 0 0 "[ . 1 . 2]" 1
280 1 21 PHE QE 1 63 LEU QD . . 5.250 4.641 3.653 4.970 . 0 0 "[ . 1 . 2]" 1
281 1 22 SER H 1 22 SER HB3 . . 3.600 2.712 2.326 3.579 . 0 0 "[ . 1 . 2]" 1
282 1 22 SER H 1 23 ASP H . . 3.750 2.771 2.569 2.981 . 0 0 "[ . 1 . 2]" 1
283 1 22 SER H 1 27 ILE MD . . 4.330 3.535 3.132 4.191 . 0 0 "[ . 1 . 2]" 1
284 1 22 SER HA 1 24 MET H . . 3.900 3.739 3.293 3.966 0.066 4 0 "[ . 1 . 2]" 1
285 1 22 SER HA 1 27 ILE MD . . 3.610 2.728 2.400 3.302 . 0 0 "[ . 1 . 2]" 1
286 1 22 SER HB3 1 23 ASP H . . 4.810 3.938 3.013 4.344 . 0 0 "[ . 1 . 2]" 1
287 1 22 SER HB3 1 27 ILE MD . . 4.730 4.046 2.828 4.828 0.098 8 0 "[ . 1 . 2]" 1
288 1 23 ASP H 1 23 ASP HB3 . . 3.180 3.104 2.453 3.671 0.491 5 0 "[ . 1 . 2]" 1
289 1 23 ASP H 1 24 MET H . . 3.390 2.468 2.244 2.782 . 0 0 "[ . 1 . 2]" 1
290 1 23 ASP H 1 25 GLY H . . 5.210 4.392 4.051 5.246 0.036 12 0 "[ . 1 . 2]" 1
291 1 24 MET H 1 24 MET HB3 . . 3.980 3.684 2.101 3.853 . 0 0 "[ . 1 . 2]" 1
292 1 24 MET H 1 24 MET ME . . 4.730 4.238 3.878 4.638 . 0 0 "[ . 1 . 2]" 1
293 1 24 MET H 1 24 MET HG3 . . 4.190 3.070 2.515 4.259 0.069 3 0 "[ . 1 . 2]" 1
294 1 24 MET H 1 25 GLY H . . 3.110 2.324 1.982 2.911 . 0 0 "[ . 1 . 2]" 1
295 1 24 MET H 1 25 GLY QA . . 5.010 4.285 4.089 4.542 . 0 0 "[ . 1 . 2]" 1
296 1 24 MET HA 1 24 MET ME . . 5.430 4.580 4.312 4.869 . 0 0 "[ . 1 . 2]" 1
297 1 24 MET HA 1 24 MET HG3 . . 3.620 3.131 2.292 3.516 . 0 0 "[ . 1 . 2]" 1
298 1 24 MET HA 1 25 GLY HA3 . . 4.920 4.596 4.410 4.795 . 0 0 "[ . 1 . 2]" 1
299 1 24 MET HB3 1 25 GLY H . . 4.720 4.449 4.154 4.586 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLY H 1 26 GLU H . . 4.680 4.441 4.299 4.597 . 0 0 "[ . 1 . 2]" 1
301 1 25 GLY QA 1 26 GLU H . . 2.910 2.224 2.133 2.311 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLY QA 1 27 ILE H . . 5.500 5.000 4.456 5.524 0.024 1 0 "[ . 1 . 2]" 1
303 1 25 GLY HA2 1 26 GLU H . . 3.200 2.943 2.673 3.256 0.056 3 0 "[ . 1 . 2]" 1
304 1 25 GLY HA2 1 26 GLU HA . . 4.780 4.487 4.265 4.715 . 0 0 "[ . 1 . 2]" 1
305 1 25 GLY HA3 1 26 GLU H . . 3.230 2.313 2.174 2.513 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLY HA3 1 48 PHE QD . . 4.320 4.095 3.330 4.399 0.079 6 0 "[ . 1 . 2]" 1
307 1 26 GLU H 1 27 ILE H . . 4.780 4.045 3.718 4.398 . 0 0 "[ . 1 . 2]" 1
308 1 26 GLU H 1 48 PHE HA . . 5.500 5.307 4.678 5.578 0.078 12 0 "[ . 1 . 2]" 1
309 1 26 GLU H 1 48 PHE HB3 . . 5.500 4.996 4.239 5.556 0.056 6 0 "[ . 1 . 2]" 1
310 1 26 GLU H 1 48 PHE QD . . 4.140 3.454 2.508 4.207 0.067 13 0 "[ . 1 . 2]" 1
311 1 26 GLU H 1 49 GLU H . . 4.940 4.773 4.125 5.007 0.067 1 0 "[ . 1 . 2]" 1
312 1 26 GLU HA 1 27 ILE H . . 2.650 2.062 1.924 2.143 . 0 0 "[ . 1 . 2]" 1
313 1 26 GLU HA 1 27 ILE HA . . 5.020 4.433 4.344 4.495 . 0 0 "[ . 1 . 2]" 1
314 1 26 GLU HA 1 27 ILE HB . . 4.710 4.432 3.983 4.768 0.058 10 0 "[ . 1 . 2]" 1
315 1 26 GLU HB3 1 27 ILE H . . 4.120 3.729 3.121 4.302 0.182 20 0 "[ . 1 . 2]" 1
316 1 27 ILE H 1 27 ILE HB . . 2.810 2.468 2.023 2.763 . 0 0 "[ . 1 . 2]" 1
317 1 27 ILE H 1 27 ILE MD . . 4.090 2.440 1.829 3.580 . 0 0 "[ . 1 . 2]" 1
318 1 27 ILE H 1 27 ILE HG13 . . 3.970 2.792 1.976 3.493 . 0 0 "[ . 1 . 2]" 1
319 1 27 ILE H 1 27 ILE MG . . 4.240 3.733 3.501 3.836 . 0 0 "[ . 1 . 2]" 1
320 1 27 ILE H 1 28 ALA H . . 4.720 4.541 4.443 4.665 . 0 0 "[ . 1 . 2]" 1
321 1 27 ILE H 1 28 ALA HA . . 5.410 5.423 5.305 5.485 0.075 2 0 "[ . 1 . 2]" 1
322 1 27 ILE H 1 48 PHE HA . . 5.500 4.791 4.474 5.101 . 0 0 "[ . 1 . 2]" 1
323 1 27 ILE H 1 48 PHE QD . . 4.960 4.840 4.347 5.037 0.077 11 0 "[ . 1 . 2]" 1
324 1 27 ILE H 1 49 GLU H . . 5.500 5.154 4.800 5.547 0.047 13 0 "[ . 1 . 2]" 1
325 1 27 ILE HA 1 27 ILE MD . . 4.700 3.704 3.210 4.087 . 0 0 "[ . 1 . 2]" 1
326 1 27 ILE HA 1 27 ILE HG13 . . 3.590 2.644 2.228 3.194 . 0 0 "[ . 1 . 2]" 1
327 1 27 ILE HA 1 27 ILE MG . . 3.290 2.356 2.220 2.729 . 0 0 "[ . 1 . 2]" 1
328 1 27 ILE HA 1 28 ALA H . . 2.930 2.203 2.079 2.328 . 0 0 "[ . 1 . 2]" 1
329 1 27 ILE HA 1 28 ALA MB . . 4.370 4.081 3.995 4.184 . 0 0 "[ . 1 . 2]" 1
330 1 27 ILE HA 1 29 THR H . . 4.280 4.098 3.644 4.355 0.075 17 0 "[ . 1 . 2]" 1
331 1 27 ILE HA 1 48 PHE HA . . 3.080 2.257 2.063 2.853 . 0 0 "[ . 1 . 2]" 1
332 1 27 ILE HA 1 48 PHE QD . . 4.100 2.893 2.168 3.674 . 0 0 "[ . 1 . 2]" 1
333 1 27 ILE HA 1 49 GLU H . . 4.230 3.693 3.198 4.240 0.010 15 0 "[ . 1 . 2]" 1
334 1 27 ILE HB 1 27 ILE MD . . 3.600 2.276 2.152 2.348 . 0 0 "[ . 1 . 2]" 1
335 1 27 ILE HB 1 28 ALA H . . 4.380 4.099 3.692 4.450 0.070 20 0 "[ . 1 . 2]" 1
336 1 27 ILE MD 1 27 ILE MG . . 3.290 2.794 2.099 3.241 . 0 0 "[ . 1 . 2]" 1
337 1 27 ILE HG13 1 28 ALA H . . 5.080 4.655 4.108 5.144 0.064 4 0 "[ . 1 . 2]" 1
338 1 27 ILE HG13 1 46 VAL HB . . 5.500 5.339 4.133 5.586 0.086 20 0 "[ . 1 . 2]" 1
339 1 27 ILE HG13 1 48 PHE HA . . 5.340 4.531 3.770 5.313 . 0 0 "[ . 1 . 2]" 1
340 1 27 ILE HG13 1 48 PHE QD . . 4.640 3.626 2.485 4.522 . 0 0 "[ . 1 . 2]" 1
341 1 27 ILE MG 1 28 ALA H . . 3.410 2.566 2.219 3.047 . 0 0 "[ . 1 . 2]" 1
342 1 27 ILE MG 1 28 ALA HA . . 4.710 4.016 3.627 4.291 . 0 0 "[ . 1 . 2]" 1
343 1 27 ILE MG 1 28 ALA MB . . 4.740 3.828 3.644 4.231 . 0 0 "[ . 1 . 2]" 1
344 1 27 ILE MG 1 29 THR H . . 3.430 2.614 2.201 3.288 . 0 0 "[ . 1 . 2]" 1
345 1 27 ILE MG 1 29 THR HA . . 4.140 3.530 3.065 4.119 . 0 0 "[ . 1 . 2]" 1
346 1 27 ILE MG 1 29 THR HB . . 5.500 4.401 4.134 5.134 . 0 0 "[ . 1 . 2]" 1
347 1 27 ILE MG 1 30 LEU H . . 4.290 3.089 2.432 3.801 . 0 0 "[ . 1 . 2]" 1
348 1 27 ILE MG 1 30 LEU HA . . 4.530 3.005 2.570 3.476 . 0 0 "[ . 1 . 2]" 1
349 1 27 ILE MG 1 30 LEU HB3 . . 3.500 3.469 2.769 3.846 0.346 10 0 "[ . 1 . 2]" 1
350 1 27 ILE MG 1 46 VAL QG . . 3.480 2.272 1.876 3.509 0.029 15 0 "[ . 1 . 2]" 1
351 1 27 ILE MG 1 47 ILE H . . 4.490 3.187 2.654 4.346 . 0 0 "[ . 1 . 2]" 1
352 1 27 ILE MG 1 49 GLU H . . 5.500 5.133 4.608 5.593 0.093 15 0 "[ . 1 . 2]" 1
353 1 28 ALA H 1 28 ALA MB . . 3.120 2.334 2.274 2.421 . 0 0 "[ . 1 . 2]" 1
354 1 28 ALA H 1 29 THR H . . 3.180 2.337 1.990 2.638 . 0 0 "[ . 1 . 2]" 1
355 1 28 ALA H 1 46 VAL QG . . 5.500 4.507 3.920 5.296 . 0 0 "[ . 1 . 2]" 1
356 1 28 ALA H 1 47 ILE HB . . 5.170 4.246 3.943 4.571 . 0 0 "[ . 1 . 2]" 1
357 1 28 ALA H 1 47 ILE MG . . 5.220 4.083 3.699 4.397 . 0 0 "[ . 1 . 2]" 1
358 1 28 ALA H 1 48 PHE HA . . 3.400 2.201 1.889 2.466 . 0 0 "[ . 1 . 2]" 1
359 1 28 ALA H 1 48 PHE HB3 . . 5.030 4.814 4.502 5.082 0.052 17 0 "[ . 1 . 2]" 1
360 1 28 ALA H 1 48 PHE QD . . 5.210 3.962 3.235 4.569 . 0 0 "[ . 1 . 2]" 1
361 1 28 ALA H 1 49 GLU HA . . 5.500 4.680 4.217 5.543 0.043 3 0 "[ . 1 . 2]" 1
362 1 28 ALA HA 1 49 GLU H . . 5.500 4.360 4.120 4.601 . 0 0 "[ . 1 . 2]" 1
363 1 28 ALA HA 1 49 GLU HG3 . . 4.260 3.578 2.523 4.318 0.058 20 0 "[ . 1 . 2]" 1
364 1 28 ALA MB 1 29 THR H . . 3.150 2.324 1.938 2.891 . 0 0 "[ . 1 . 2]" 1
365 1 28 ALA MB 1 29 THR HB . . 4.680 3.692 3.431 3.943 . 0 0 "[ . 1 . 2]" 1
366 1 28 ALA MB 1 47 ILE H . . 5.080 4.514 4.235 4.844 . 0 0 "[ . 1 . 2]" 1
367 1 28 ALA MB 1 47 ILE HG13 . . 5.500 5.536 5.284 5.809 0.309 20 0 "[ . 1 . 2]" 1
368 1 28 ALA MB 1 47 ILE MG . . 3.530 2.521 2.149 2.922 . 0 0 "[ . 1 . 2]" 1
369 1 28 ALA MB 1 48 PHE HA . . 4.100 3.230 2.759 3.555 . 0 0 "[ . 1 . 2]" 1
370 1 28 ALA MB 1 49 GLU H . . 4.380 3.028 2.773 3.312 . 0 0 "[ . 1 . 2]" 1
371 1 28 ALA MB 1 49 GLU HA . . 3.170 2.296 2.049 2.919 . 0 0 "[ . 1 . 2]" 1
372 1 28 ALA MB 1 49 GLU HB3 . . 4.490 4.223 3.904 4.552 0.062 3 0 "[ . 1 . 2]" 1
373 1 28 ALA MB 1 49 GLU HG3 . . 3.990 3.301 2.210 4.066 0.076 19 0 "[ . 1 . 2]" 1
374 1 28 ALA MB 1 50 ASP H . . 5.500 4.671 4.292 5.014 . 0 0 "[ . 1 . 2]" 1
375 1 28 ALA MB 1 51 GLY H . . 5.500 4.754 4.224 5.307 . 0 0 "[ . 1 . 2]" 1
376 1 29 THR H 1 29 THR HB . . 3.740 2.710 2.413 2.998 . 0 0 "[ . 1 . 2]" 1
377 1 29 THR H 1 29 THR MG . . 4.100 3.921 3.833 4.003 . 0 0 "[ . 1 . 2]" 1
378 1 29 THR H 1 30 LEU H . . 4.800 4.063 3.467 4.331 . 0 0 "[ . 1 . 2]" 1
379 1 29 THR H 1 46 VAL QG . . 5.500 4.432 3.737 5.203 . 0 0 "[ . 1 . 2]" 1
380 1 29 THR H 1 47 ILE H . . 3.930 3.258 2.885 3.898 . 0 0 "[ . 1 . 2]" 1
381 1 29 THR H 1 47 ILE HB . . 3.600 2.751 2.451 3.201 . 0 0 "[ . 1 . 2]" 1
382 1 29 THR H 1 47 ILE MD . . 5.380 4.014 3.718 4.290 . 0 0 "[ . 1 . 2]" 1
383 1 29 THR H 1 47 ILE MG . . 4.730 3.636 3.236 4.117 . 0 0 "[ . 1 . 2]" 1
384 1 29 THR H 1 48 PHE HA . . 5.160 4.167 3.864 4.536 . 0 0 "[ . 1 . 2]" 1
385 1 29 THR HA 1 29 THR MG . . 3.390 2.445 2.320 2.655 . 0 0 "[ . 1 . 2]" 1
386 1 29 THR HA 1 30 LEU H . . 2.590 2.152 2.088 2.251 . 0 0 "[ . 1 . 2]" 1
387 1 29 THR HA 1 30 LEU HB3 . . 4.900 4.667 4.399 4.768 . 0 0 "[ . 1 . 2]" 1
388 1 29 THR HB 1 31 TYR HD1 . . 5.360 5.264 4.701 5.425 0.065 1 0 "[ . 1 . 2]" 1
389 1 29 THR HB 1 47 ILE H . . 4.410 3.474 2.577 4.338 . 0 0 "[ . 1 . 2]" 1
390 1 29 THR HB 1 47 ILE HB . . 3.260 2.185 2.033 2.372 . 0 0 "[ . 1 . 2]" 1
391 1 29 THR HB 1 47 ILE MD . . 3.810 2.224 2.079 2.504 . 0 0 "[ . 1 . 2]" 1
392 1 29 THR HB 1 47 ILE HG13 . . 5.280 4.392 3.816 4.913 . 0 0 "[ . 1 . 2]" 1
393 1 29 THR HB 1 47 ILE MG . . 4.240 3.471 2.857 3.926 . 0 0 "[ . 1 . 2]" 1
394 1 29 THR MG 1 30 LEU H . . 3.550 3.207 2.682 3.572 0.022 6 0 "[ . 1 . 2]" 1
395 1 29 THR MG 1 30 LEU HA . . 4.400 3.968 3.560 4.411 0.011 13 0 "[ . 1 . 2]" 1
396 1 29 THR MG 1 31 TYR HA . . 5.230 4.810 4.293 5.337 0.107 13 0 "[ . 1 . 2]" 1
397 1 29 THR MG 1 31 TYR HB3 . . 4.630 3.023 2.412 3.496 . 0 0 "[ . 1 . 2]" 1
398 1 29 THR MG 1 31 TYR HD1 . . 3.470 3.470 3.169 3.583 0.113 3 0 "[ . 1 . 2]" 1
399 1 29 THR MG 1 31 TYR QE . . 4.500 4.105 3.823 4.372 . 0 0 "[ . 1 . 2]" 1
400 1 29 THR MG 1 47 ILE HB . . 3.850 3.776 3.474 3.924 0.074 9 0 "[ . 1 . 2]" 1
401 1 29 THR MG 1 47 ILE MD . . 3.410 2.560 2.125 2.888 . 0 0 "[ . 1 . 2]" 1
402 1 30 LEU H 1 30 LEU HB3 . . 3.760 2.597 2.318 2.860 . 0 0 "[ . 1 . 2]" 1
403 1 30 LEU H 1 30 LEU QD . . 4.710 3.811 3.692 3.992 . 0 0 "[ . 1 . 2]" 1
404 1 30 LEU H 1 30 LEU HG . . 4.820 4.615 4.421 4.833 0.013 13 0 "[ . 1 . 2]" 1
405 1 30 LEU H 1 31 TYR H . . 4.980 4.330 3.921 4.537 . 0 0 "[ . 1 . 2]" 1
406 1 30 LEU H 1 31 TYR HD1 . . 5.500 5.393 5.075 5.582 0.082 11 0 "[ . 1 . 2]" 1
407 1 30 LEU H 1 46 VAL QG . . 5.500 4.653 3.832 5.476 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU HA 1 30 LEU QD . . 3.930 2.508 2.041 3.084 . 0 0 "[ . 1 . 2]" 1
409 1 30 LEU HA 1 31 TYR H . . 2.870 2.263 2.177 2.506 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU HA 1 31 TYR HD1 . . 4.420 3.745 3.352 4.065 . 0 0 "[ . 1 . 2]" 1
411 1 30 LEU HB3 1 30 LEU QD . . 3.060 2.228 2.123 2.361 . 0 0 "[ . 1 . 2]" 1
412 1 30 LEU HB3 1 31 TYR H . . 4.800 4.239 3.873 4.482 . 0 0 "[ . 1 . 2]" 1
413 1 30 LEU HB3 1 46 VAL QG . . 4.400 4.550 3.834 5.308 0.908 20 4 "[- .* 1 . *+]" 1
414 1 30 LEU QD 1 31 TYR H . . 3.690 2.882 2.100 3.631 . 0 0 "[ . 1 . 2]" 1
415 1 30 LEU QD 1 31 TYR HA . . 4.350 3.047 2.467 3.805 . 0 0 "[ . 1 . 2]" 1
416 1 30 LEU QD 1 32 VAL QG . . 3.620 3.432 3.028 3.670 0.050 17 0 "[ . 1 . 2]" 1
417 1 30 LEU QD 1 46 VAL HB . . 3.790 3.357 2.497 3.848 0.058 15 0 "[ . 1 . 2]" 1
418 1 30 LEU QD 1 46 VAL QG . . 3.330 2.184 1.869 2.939 . 0 0 "[ . 1 . 2]" 1
419 1 30 LEU HG 1 46 VAL QG . . 4.100 3.582 2.198 4.150 0.050 5 0 "[ . 1 . 2]" 1
420 1 31 TYR H 1 31 TYR HD1 . . 3.600 2.170 2.037 2.329 . 0 0 "[ . 1 . 2]" 1
421 1 31 TYR H 1 31 TYR QE . . 4.360 4.416 4.315 4.456 0.096 12 0 "[ . 1 . 2]" 1
422 1 31 TYR H 1 32 VAL HA . . 4.940 4.508 4.376 4.692 . 0 0 "[ . 1 . 2]" 1
423 1 31 TYR H 1 44 GLY QA . . 5.250 5.061 4.512 5.173 . 0 0 "[ . 1 . 2]" 1
424 1 31 TYR H 1 46 VAL QG . . 5.250 3.872 2.242 5.029 . 0 0 "[ . 1 . 2]" 1
425 1 31 TYR HA 1 31 TYR HD1 . . 4.140 3.926 3.842 4.022 . 0 0 "[ . 1 . 2]" 1
426 1 31 TYR HA 1 32 VAL H . . 2.680 2.522 2.003 2.740 0.060 3 0 "[ . 1 . 2]" 1
427 1 31 TYR HA 1 32 VAL HB . . 4.720 4.784 4.671 4.807 0.087 19 0 "[ . 1 . 2]" 1
428 1 31 TYR HA 1 32 VAL QG . . 4.300 3.201 2.915 3.436 . 0 0 "[ . 1 . 2]" 1
429 1 31 TYR HB3 1 32 VAL H . . 3.520 3.786 3.585 3.947 0.427 17 0 "[ . 1 . 2]" 1
430 1 31 TYR HB3 1 32 VAL QG . . 5.500 5.018 4.773 5.213 . 0 0 "[ . 1 . 2]" 1
431 1 31 TYR HD1 1 32 VAL H . . 4.680 4.438 4.169 4.652 . 0 0 "[ . 1 . 2]" 1
432 1 31 TYR HD1 1 32 VAL HA . . 4.460 4.514 4.349 4.547 0.087 19 0 "[ . 1 . 2]" 1
433 1 31 TYR HD1 1 33 GLN H . . 5.500 5.495 5.181 5.580 0.080 5 0 "[ . 1 . 2]" 1
434 1 31 TYR HD1 1 44 GLY QA . . 4.550 4.309 3.736 4.461 . 0 0 "[ . 1 . 2]" 1
435 1 31 TYR HD1 1 47 ILE H . . 5.500 5.132 4.503 5.579 0.079 9 0 "[ . 1 . 2]" 1
436 1 31 TYR HD1 1 47 ILE MD . . 4.220 3.681 3.112 4.306 0.086 10 0 "[ . 1 . 2]" 1
437 1 31 TYR QE 1 33 GLN HA . . 5.140 4.309 2.957 5.116 . 0 0 "[ . 1 . 2]" 1
438 1 31 TYR QE 1 33 GLN HB3 . . 5.100 4.633 2.554 5.365 0.265 4 0 "[ . 1 . 2]" 1
439 1 31 TYR QE 1 33 GLN HE21 . . 5.160 4.155 3.163 5.248 0.088 2 0 "[ . 1 . 2]" 1
440 1 31 TYR QE 1 33 GLN HE22 . . 5.150 4.660 3.798 5.251 0.101 20 0 "[ . 1 . 2]" 1
441 1 31 TYR QE 1 33 GLN HG3 . . 4.340 3.563 2.961 4.756 0.416 14 0 "[ . 1 . 2]" 1
442 1 31 TYR QE 1 44 GLY QA . . 4.400 3.962 3.680 4.160 . 0 0 "[ . 1 . 2]" 1
443 1 31 TYR QE 1 47 ILE MD . . 3.680 2.952 2.299 3.784 0.104 8 0 "[ . 1 . 2]" 1
444 1 31 TYR QE 1 47 ILE HG13 . . 4.960 4.851 3.889 5.049 0.089 4 0 "[ . 1 . 2]" 1
445 1 32 VAL H 1 32 VAL HB . . 3.020 2.817 2.555 3.112 0.092 11 0 "[ . 1 . 2]" 1
446 1 32 VAL H 1 32 VAL QG . . 3.490 2.471 1.855 2.873 . 0 0 "[ . 1 . 2]" 1
447 1 32 VAL H 1 33 GLN H . . 5.040 4.323 4.189 4.443 . 0 0 "[ . 1 . 2]" 1
448 1 32 VAL HA 1 32 VAL QG . . 3.070 2.274 2.121 2.556 . 0 0 "[ . 1 . 2]" 1
449 1 32 VAL HA 1 33 GLN H . . 2.870 2.208 2.006 2.412 . 0 0 "[ . 1 . 2]" 1
450 1 32 VAL HA 1 33 GLN HG3 . . 5.290 4.161 3.513 4.461 . 0 0 "[ . 1 . 2]" 1
451 1 32 VAL HA 1 34 VAL H . . 3.760 3.487 3.164 3.780 0.020 9 0 "[ . 1 . 2]" 1
452 1 32 VAL HA 1 44 GLY QA . . 3.620 2.625 2.378 3.014 . 0 0 "[ . 1 . 2]" 1
453 1 32 VAL HB 1 33 GLN H . . 4.890 3.930 3.650 4.130 . 0 0 "[ . 1 . 2]" 1
454 1 32 VAL HB 1 34 VAL H . . 3.490 3.586 3.572 3.609 0.119 11 0 "[ . 1 . 2]" 1
455 1 32 VAL HB 1 35 TYR HA . . 5.200 4.975 4.453 5.286 0.086 1 0 "[ . 1 . 2]" 1
456 1 32 VAL QG 1 33 GLN H . . 3.500 2.658 2.254 2.841 . 0 0 "[ . 1 . 2]" 1
457 1 32 VAL QG 1 33 GLN HA . . 4.150 3.890 3.132 4.140 . 0 0 "[ . 1 . 2]" 1
458 1 32 VAL QG 1 34 VAL H . . 3.520 1.647 1.546 1.753 . 0 0 "[ . 1 . 2]" 1
459 1 32 VAL QG 1 34 VAL HA . . 4.840 3.632 3.181 3.933 . 0 0 "[ . 1 . 2]" 1
460 1 32 VAL QG 1 35 TYR HA . . 4.070 2.755 2.393 3.151 . 0 0 "[ . 1 . 2]" 1
461 1 32 VAL QG 1 35 TYR HB3 . . 4.050 3.678 3.066 4.045 . 0 0 "[ . 1 . 2]" 1
462 1 32 VAL QG 1 35 TYR QD . . 5.300 3.655 3.214 4.334 . 0 0 "[ . 1 . 2]" 1
463 1 32 VAL QG 1 42 LEU HA . . 4.510 3.081 2.659 3.368 . 0 0 "[ . 1 . 2]" 1
464 1 32 VAL QG 1 42 LEU HG . . 3.600 3.120 1.935 3.561 . 0 0 "[ . 1 . 2]" 1
465 1 32 VAL QG 1 43 VAL H . . 4.550 2.698 2.259 3.109 . 0 0 "[ . 1 . 2]" 1
466 1 32 VAL QG 1 44 GLY QA . . 5.380 3.594 3.182 3.885 . 0 0 "[ . 1 . 2]" 1
467 1 33 GLN H 1 33 GLN HB3 . . 3.420 3.679 3.508 3.732 0.312 5 0 "[ . 1 . 2]" 1
468 1 33 GLN H 1 33 GLN HG3 . . 4.170 2.793 2.218 3.133 . 0 0 "[ . 1 . 2]" 1
469 1 33 GLN H 1 34 VAL H . . 3.080 2.253 1.961 2.512 . 0 0 "[ . 1 . 2]" 1
470 1 33 GLN H 1 34 VAL HA . . 5.270 4.910 4.602 5.173 . 0 0 "[ . 1 . 2]" 1
471 1 33 GLN H 1 34 VAL QG . . 4.660 3.114 2.845 3.381 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLN H 1 43 VAL H . . 4.870 4.433 3.710 4.880 0.010 7 0 "[ . 1 . 2]" 1
473 1 33 GLN H 1 43 VAL HB . . 5.040 4.999 4.697 5.135 0.095 18 0 "[ . 1 . 2]" 1
474 1 33 GLN H 1 43 VAL QG . . 4.600 4.446 2.798 4.711 0.111 6 0 "[ . 1 . 2]" 1
475 1 33 GLN H 1 44 GLY H . . 5.020 4.517 4.279 4.945 . 0 0 "[ . 1 . 2]" 1
476 1 33 GLN H 1 44 GLY QA . . 3.390 2.170 1.823 2.482 . 0 0 "[ . 1 . 2]" 1
477 1 33 GLN HA 1 33 GLN HG3 . . 3.750 3.354 3.007 3.811 0.061 19 0 "[ . 1 . 2]" 1
478 1 33 GLN HB3 1 34 VAL H . . 4.080 4.405 4.195 4.725 0.645 19 4 "[ * . - 1 *. +2]" 1
479 1 33 GLN HB3 1 34 VAL QG . . 3.990 3.469 2.854 4.255 0.265 19 0 "[ . 1 . 2]" 1
480 1 33 GLN HB3 1 44 GLY QA . . 4.290 3.980 3.634 4.549 0.259 7 0 "[ . 1 . 2]" 1
481 1 33 GLN HE21 1 44 GLY QA . . 4.700 3.163 2.554 4.160 . 0 0 "[ . 1 . 2]" 1
482 1 33 GLN HE22 1 33 GLN HG3 . . 3.960 3.709 3.507 4.139 0.179 20 0 "[ . 1 . 2]" 1
483 1 33 GLN HG3 1 34 VAL QG . . 4.720 4.099 2.224 4.736 0.016 11 0 "[ . 1 . 2]" 1
484 1 33 GLN HG3 1 44 GLY QA . . 4.270 2.334 1.952 2.689 . 0 0 "[ . 1 . 2]" 1
485 1 34 VAL H 1 34 VAL HB . . 3.930 3.613 2.706 3.862 . 0 0 "[ . 1 . 2]" 1
486 1 34 VAL H 1 34 VAL QG . . 3.560 2.598 2.339 3.006 . 0 0 "[ . 1 . 2]" 1
487 1 34 VAL H 1 35 TYR H . . 4.610 3.710 3.008 4.115 . 0 0 "[ . 1 . 2]" 1
488 1 34 VAL H 1 35 TYR HA . . 4.990 4.470 4.291 4.669 . 0 0 "[ . 1 . 2]" 1
489 1 34 VAL H 1 43 VAL H . . 4.320 3.861 3.458 4.295 . 0 0 "[ . 1 . 2]" 1
490 1 34 VAL H 1 44 GLY QA . . 4.840 4.008 3.564 4.344 . 0 0 "[ . 1 . 2]" 1
491 1 34 VAL HA 1 34 VAL QG . . 3.080 2.286 2.150 2.490 . 0 0 "[ . 1 . 2]" 1
492 1 34 VAL HA 1 35 TYR H . . 2.570 2.204 2.044 2.649 0.079 19 0 "[ . 1 . 2]" 1
493 1 34 VAL HA 1 35 TYR HA . . 4.950 4.507 4.438 4.705 . 0 0 "[ . 1 . 2]" 1
494 1 34 VAL HB 1 35 TYR H . . 4.480 4.102 3.294 4.447 . 0 0 "[ . 1 . 2]" 1
495 1 34 VAL QG 1 43 VAL H . . 4.750 2.826 2.168 3.732 . 0 0 "[ . 1 . 2]" 1
496 1 34 VAL QG 1 44 GLY QA . . 3.750 3.344 2.815 3.664 . 0 0 "[ . 1 . 2]" 1
497 1 35 TYR H 1 35 TYR HB3 . . 3.400 2.370 2.161 2.650 . 0 0 "[ . 1 . 2]" 1
498 1 35 TYR H 1 35 TYR QD . . 4.410 4.116 3.895 4.269 . 0 0 "[ . 1 . 2]" 1
499 1 35 TYR H 1 36 GLU H . . 5.340 4.327 4.076 4.634 . 0 0 "[ . 1 . 2]" 1
500 1 35 TYR HA 1 35 TYR QD . . 3.240 2.540 2.178 2.832 . 0 0 "[ . 1 . 2]" 1
501 1 35 TYR HA 1 35 TYR QE . . 4.810 4.703 4.443 4.842 0.032 8 0 "[ . 1 . 2]" 1
502 1 35 TYR HA 1 36 GLU H . . 2.890 2.197 1.938 2.377 . 0 0 "[ . 1 . 2]" 1
503 1 35 TYR HA 1 41 SER H . . 5.330 5.362 5.014 5.429 0.099 10 0 "[ . 1 . 2]" 1
504 1 35 TYR HA 1 43 VAL H . . 5.180 4.464 3.695 5.183 0.003 18 0 "[ . 1 . 2]" 1
505 1 35 TYR HB3 1 36 GLU H . . 4.710 4.448 4.096 4.606 . 0 0 "[ . 1 . 2]" 1
506 1 35 TYR QD 1 36 GLU H . . 3.760 2.947 2.430 3.774 0.014 11 0 "[ . 1 . 2]" 1
507 1 35 TYR QD 1 37 SER H . . 5.380 4.276 3.618 5.106 . 0 0 "[ . 1 . 2]" 1
508 1 35 TYR QD 1 37 SER HA . . 5.040 4.083 3.288 4.816 . 0 0 "[ . 1 . 2]" 1
509 1 35 TYR QD 1 37 SER HB3 . . 4.250 3.690 2.467 4.757 0.507 2 1 "[ + . 1 . 2]" 1
510 1 35 TYR QD 1 42 LEU QD . . 4.470 3.817 2.668 4.462 . 0 0 "[ . 1 . 2]" 1
511 1 35 TYR QE 1 36 GLU H . . 5.400 4.364 3.862 4.857 . 0 0 "[ . 1 . 2]" 1
512 1 35 TYR QE 1 37 SER H . . 4.950 4.429 3.967 4.952 0.002 6 0 "[ . 1 . 2]" 1
513 1 35 TYR QE 1 37 SER HA . . 3.730 2.880 2.305 3.531 . 0 0 "[ . 1 . 2]" 1
514 1 35 TYR QE 1 37 SER HB3 . . 3.870 3.007 2.321 4.036 0.166 14 0 "[ . 1 . 2]" 1
515 1 35 TYR QE 1 41 SER H . . 5.500 5.283 4.857 5.595 0.095 18 0 "[ . 1 . 2]" 1
516 1 36 GLU H 1 36 GLU HB3 . . 3.870 3.236 2.692 3.442 . 0 0 "[ . 1 . 2]" 1
517 1 36 GLU H 1 37 SER H . . 4.730 4.305 4.057 4.558 . 0 0 "[ . 1 . 2]" 1
518 1 36 GLU H 1 41 SER H . . 4.290 3.624 3.476 3.981 . 0 0 "[ . 1 . 2]" 1
519 1 36 GLU H 1 41 SER HB3 . . 5.160 3.816 3.370 4.776 . 0 0 "[ . 1 . 2]" 1
520 1 36 GLU H 1 42 LEU HA . . 4.330 4.242 3.778 4.412 0.082 1 0 "[ . 1 . 2]" 1
521 1 36 GLU H 1 43 VAL H . . 5.500 5.322 4.746 5.570 0.070 12 0 "[ . 1 . 2]" 1
522 1 36 GLU HA 1 37 SER H . . 2.710 2.208 2.107 2.319 . 0 0 "[ . 1 . 2]" 1
523 1 36 GLU HA 1 37 SER HA . . 4.560 4.472 4.420 4.524 . 0 0 "[ . 1 . 2]" 1
524 1 36 GLU HA 1 38 SER H . . 4.240 3.447 2.920 3.765 . 0 0 "[ . 1 . 2]" 1
525 1 36 GLU HB3 1 37 SER H . . 4.500 4.021 3.460 4.404 . 0 0 "[ . 1 . 2]" 1
526 1 36 GLU HB3 1 39 LEU H . . 4.310 2.572 2.045 3.848 . 0 0 "[ . 1 . 2]" 1
527 1 36 GLU HB3 1 39 LEU HB3 . . 3.460 3.806 3.419 4.732 1.272 1 5 "[+ .- 1 *. * *2]" 1
528 1 36 GLU HB3 1 39 LEU QD . . 4.270 3.729 2.662 4.174 . 0 0 "[ . 1 . 2]" 1
529 1 36 GLU HB3 1 40 GLU HA . . 5.090 4.400 3.678 5.925 0.835 1 1 "[+ . 1 . 2]" 1
530 1 36 GLU HB3 1 41 SER H . . 4.590 3.107 2.582 4.419 . 0 0 "[ . 1 . 2]" 1
531 1 36 GLU HB3 1 41 SER HB3 . . 4.410 3.480 2.082 4.488 0.078 2 0 "[ . 1 . 2]" 1
532 1 37 SER H 1 37 SER HB3 . . 3.080 2.708 2.238 3.131 0.051 8 0 "[ . 1 . 2]" 1
533 1 37 SER H 1 38 SER HA . . 5.330 5.222 4.684 5.415 0.085 11 0 "[ . 1 . 2]" 1
534 1 37 SER H 1 39 LEU H . . 5.500 4.134 3.152 4.465 . 0 0 "[ . 1 . 2]" 1
535 1 38 SER H 1 39 LEU H . . 3.420 2.144 1.757 2.469 . 0 0 "[ . 1 . 2]" 1
536 1 38 SER H 1 39 LEU QD . . 5.460 4.290 2.683 4.788 . 0 0 "[ . 1 . 2]" 1
537 1 38 SER H 1 39 LEU HG . . 5.500 4.376 3.692 5.546 0.046 10 0 "[ . 1 . 2]" 1
538 1 39 LEU H 1 39 LEU HB3 . . 3.590 3.820 3.637 3.896 0.306 14 0 "[ . 1 . 2]" 1
539 1 39 LEU H 1 39 LEU QD . . 4.280 3.548 1.912 3.861 . 0 0 "[ . 1 . 2]" 1
540 1 39 LEU H 1 39 LEU HG . . 3.900 3.507 3.041 3.992 0.092 10 0 "[ . 1 . 2]" 1
541 1 39 LEU H 1 41 SER H . . 5.460 4.583 3.896 5.096 . 0 0 "[ . 1 . 2]" 1
542 1 39 LEU HA 1 39 LEU QD . . 2.880 2.227 2.083 2.857 . 0 0 "[ . 1 . 2]" 1
543 1 39 LEU HA 1 39 LEU HG . . 4.000 3.039 2.178 3.769 . 0 0 "[ . 1 . 2]" 1
544 1 39 LEU HA 1 40 GLU HA . . 4.520 4.476 4.267 4.591 0.071 4 0 "[ . 1 . 2]" 1
545 1 39 LEU HA 1 41 SER H . . 5.430 5.223 4.543 5.499 0.069 18 0 "[ . 1 . 2]" 1
546 1 39 LEU HB3 1 40 GLU H . . 4.140 2.105 1.875 2.703 . 0 0 "[ . 1 . 2]" 1
547 1 39 LEU HB3 1 41 SER H . . 4.410 4.335 3.453 4.830 0.420 13 0 "[ . 1 . 2]" 1
548 1 39 LEU HB3 1 41 SER HB3 . . 4.550 4.745 3.886 5.456 0.906 12 7 "[ * *** 1 + .-* 2]" 1
549 1 39 LEU QD 1 40 GLU H . . 4.590 3.363 2.948 3.778 . 0 0 "[ . 1 . 2]" 1
550 1 40 GLU H 1 40 GLU HA . . 2.870 2.934 2.869 2.948 0.078 4 0 "[ . 1 . 2]" 1
551 1 40 GLU H 1 40 GLU HB3 . . 4.170 3.773 3.537 3.903 . 0 0 "[ . 1 . 2]" 1
552 1 40 GLU H 1 40 GLU HG3 . . 4.200 3.566 3.109 3.863 . 0 0 "[ . 1 . 2]" 1
553 1 40 GLU H 1 41 SER H . . 3.450 3.459 2.928 3.542 0.092 19 0 "[ . 1 . 2]" 1
554 1 40 GLU H 1 41 SER HA . . 5.500 4.709 4.348 4.965 . 0 0 "[ . 1 . 2]" 1
555 1 40 GLU HA 1 40 GLU HG3 . . 3.040 2.620 2.381 3.032 . 0 0 "[ . 1 . 2]" 1
556 1 40 GLU HA 1 41 SER H . . 3.180 2.411 2.168 2.826 . 0 0 "[ . 1 . 2]" 1
557 1 40 GLU HA 1 41 SER HA . . 4.900 4.516 4.413 4.707 . 0 0 "[ . 1 . 2]" 1
558 1 40 GLU HB3 1 41 SER H . . 5.120 4.273 4.027 4.546 . 0 0 "[ . 1 . 2]" 1
559 1 40 GLU HB3 1 58 TYR QE . . 5.340 4.235 2.796 5.176 . 0 0 "[ . 1 . 2]" 1
560 1 41 SER H 1 42 LEU H . . 5.190 4.405 4.210 4.554 . 0 0 "[ . 1 . 2]" 1
561 1 41 SER HA 1 42 LEU H . . 2.960 2.271 2.122 2.525 . 0 0 "[ . 1 . 2]" 1
562 1 41 SER HA 1 42 LEU HB3 . . 5.080 4.696 4.314 4.975 . 0 0 "[ . 1 . 2]" 1
563 1 41 SER HA 1 58 TYR H . . 5.280 4.897 4.398 5.330 0.050 5 0 "[ . 1 . 2]" 1
564 1 41 SER HA 1 58 TYR QD . . 4.460 3.415 2.433 4.202 . 0 0 "[ . 1 . 2]" 1
565 1 41 SER HA 1 59 GLU HA . . 3.990 3.535 2.745 4.071 0.081 10 0 "[ . 1 . 2]" 1
566 1 41 SER HB3 1 42 LEU H . . 3.930 3.703 2.807 4.275 0.345 13 0 "[ . 1 . 2]" 1
567 1 42 LEU H 1 42 LEU HB3 . . 4.100 2.958 2.700 3.304 . 0 0 "[ . 1 . 2]" 1
568 1 42 LEU H 1 42 LEU QD . . 4.850 3.899 3.833 4.051 . 0 0 "[ . 1 . 2]" 1
569 1 42 LEU H 1 42 LEU HG . . 5.310 4.987 4.588 5.318 0.008 19 0 "[ . 1 . 2]" 1
570 1 42 LEU H 1 43 VAL QG . . 5.310 3.273 2.822 4.694 . 0 0 "[ . 1 . 2]" 1
571 1 42 LEU H 1 57 VAL HA . . 5.150 4.731 4.060 5.200 0.050 14 0 "[ . 1 . 2]" 1
572 1 42 LEU H 1 58 TYR H . . 3.990 3.168 2.865 3.585 . 0 0 "[ . 1 . 2]" 1
573 1 42 LEU H 1 58 TYR HB3 . . 4.460 2.672 2.169 3.030 . 0 0 "[ . 1 . 2]" 1
574 1 42 LEU H 1 58 TYR QD . . 4.590 3.555 2.920 4.261 . 0 0 "[ . 1 . 2]" 1
575 1 42 LEU H 1 59 GLU HA . . 4.920 4.506 3.997 4.994 0.074 9 0 "[ . 1 . 2]" 1
576 1 42 LEU HA 1 42 LEU QD . . 3.830 2.325 1.937 2.961 . 0 0 "[ . 1 . 2]" 1
577 1 42 LEU HA 1 42 LEU HG . . 4.010 3.276 2.165 3.844 . 0 0 "[ . 1 . 2]" 1
578 1 42 LEU HA 1 43 VAL H . . 2.760 2.260 2.174 2.342 . 0 0 "[ . 1 . 2]" 1
579 1 42 LEU HA 1 43 VAL HB . . 4.800 4.765 4.433 4.875 0.075 14 0 "[ . 1 . 2]" 1
580 1 42 LEU HA 1 43 VAL QG . . 4.160 3.810 3.564 4.268 0.108 18 0 "[ . 1 . 2]" 1
581 1 42 LEU HB3 1 43 VAL H . . 4.760 4.336 4.244 4.428 . 0 0 "[ . 1 . 2]" 1
582 1 42 LEU HB3 1 58 TYR H . . 5.500 3.773 3.179 4.241 . 0 0 "[ . 1 . 2]" 1
583 1 42 LEU HB3 1 58 TYR HB3 . . 5.040 2.588 2.233 2.947 . 0 0 "[ . 1 . 2]" 1
584 1 43 VAL H 1 43 VAL HB . . 3.230 2.753 2.566 2.950 . 0 0 "[ . 1 . 2]" 1
585 1 43 VAL H 1 43 VAL QG . . 3.410 2.820 2.637 3.020 . 0 0 "[ . 1 . 2]" 1
586 1 43 VAL H 1 44 GLY H . . 4.760 4.424 4.349 4.487 . 0 0 "[ . 1 . 2]" 1
587 1 43 VAL H 1 44 GLY QA . . 5.500 4.535 4.285 4.717 . 0 0 "[ . 1 . 2]" 1
588 1 43 VAL HA 1 43 VAL QG . . 2.850 2.168 2.129 2.220 . 0 0 "[ . 1 . 2]" 1
589 1 43 VAL HA 1 44 GLY H . . 2.870 2.329 2.127 2.477 . 0 0 "[ . 1 . 2]" 1
590 1 43 VAL HB 1 44 GLY H . . 4.430 3.852 3.579 4.175 . 0 0 "[ . 1 . 2]" 1
591 1 43 VAL QG 1 44 GLY H . . 3.320 2.223 2.027 2.516 . 0 0 "[ . 1 . 2]" 1
592 1 43 VAL QG 1 44 GLY QA . . 4.200 2.998 2.187 3.313 . 0 0 "[ . 1 . 2]" 1
593 1 43 VAL QG 1 45 GLY H . . 5.500 3.382 2.821 4.048 . 0 0 "[ . 1 . 2]" 1
594 1 43 VAL QG 1 58 TYR H . . 4.300 2.813 2.252 4.037 . 0 0 "[ . 1 . 2]" 1
595 1 44 GLY H 1 45 GLY H . . 3.830 2.061 1.867 3.029 . 0 0 "[ . 1 . 2]" 1
596 1 44 GLY H 1 55 THR HA . . 5.110 4.665 4.316 5.175 0.065 14 0 "[ . 1 . 2]" 1
597 1 45 GLY H 1 46 VAL H . . 5.500 4.502 4.120 4.672 . 0 0 "[ . 1 . 2]" 1
598 1 45 GLY H 1 55 THR HA . . 2.930 2.994 2.810 3.021 0.091 13 0 "[ . 1 . 2]" 1
599 1 45 GLY H 1 55 THR HB . . 4.470 4.466 4.282 4.547 0.077 20 0 "[ . 1 . 2]" 1
600 1 45 GLY H 1 55 THR MG . . 5.070 4.213 3.815 5.155 0.085 14 0 "[ . 1 . 2]" 1
601 1 45 GLY H 1 56 PHE HA . . 5.210 5.175 4.574 5.308 0.098 18 0 "[ . 1 . 2]" 1
602 1 45 GLY H 1 56 PHE HB3 . . 5.400 4.461 3.745 5.075 . 0 0 "[ . 1 . 2]" 1
603 1 45 GLY HA2 1 46 VAL H . . 3.440 2.536 2.124 2.856 . 0 0 "[ . 1 . 2]" 1
604 1 45 GLY HA2 1 46 VAL QG . . 5.500 3.290 2.863 3.847 . 0 0 "[ . 1 . 2]" 1
605 1 45 GLY HA2 1 55 THR HA . . 3.490 2.119 1.835 2.525 . 0 0 "[ . 1 . 2]" 1
606 1 45 GLY HA2 1 55 THR MG . . 4.580 3.846 3.302 4.910 0.330 14 0 "[ . 1 . 2]" 1
607 1 45 GLY HA3 1 46 VAL H . . 3.450 2.583 2.332 2.966 . 0 0 "[ . 1 . 2]" 1
608 1 45 GLY HA3 1 55 THR HA . . 3.310 2.853 1.896 3.378 0.068 15 0 "[ . 1 . 2]" 1
609 1 45 GLY HA3 1 55 THR MG . . 4.820 3.738 3.094 4.917 0.097 18 0 "[ . 1 . 2]" 1
610 1 46 VAL H 1 46 VAL HB . . 3.920 3.612 3.305 3.959 0.039 3 0 "[ . 1 . 2]" 1
611 1 46 VAL H 1 46 VAL QG . . 4.270 2.411 2.029 2.627 . 0 0 "[ . 1 . 2]" 1
612 1 46 VAL H 1 53 HIS HA . . 5.500 4.095 3.749 5.039 . 0 0 "[ . 1 . 2]" 1
613 1 46 VAL H 1 53 HIS HD2 . . 4.650 2.452 1.888 3.726 . 0 0 "[ . 1 . 2]" 1
614 1 46 VAL H 1 54 TYR H . . 4.230 2.756 2.520 3.370 . 0 0 "[ . 1 . 2]" 1
615 1 46 VAL H 1 55 THR HA . . 4.530 3.964 3.478 4.410 . 0 0 "[ . 1 . 2]" 1
616 1 46 VAL H 1 55 THR MG . . 5.500 4.948 4.533 5.596 0.096 14 0 "[ . 1 . 2]" 1
617 1 46 VAL HA 1 47 ILE H . . 2.970 2.215 2.061 2.363 . 0 0 "[ . 1 . 2]" 1
618 1 46 VAL HA 1 47 ILE MD . . 4.140 3.167 2.352 4.229 0.089 9 0 "[ . 1 . 2]" 1
619 1 46 VAL HA 1 53 HIS HD2 . . 4.130 4.201 4.139 4.218 0.088 9 0 "[ . 1 . 2]" 1
620 1 46 VAL HB 1 54 TYR H . . 5.450 5.135 4.330 5.520 0.070 1 0 "[ . 1 . 2]" 1
621 1 46 VAL QG 1 47 ILE H . . 3.870 2.916 2.324 3.551 . 0 0 "[ . 1 . 2]" 1
622 1 46 VAL QG 1 48 PHE QD . . 4.290 2.970 2.143 4.119 . 0 0 "[ . 1 . 2]" 1
623 1 46 VAL QG 1 54 TYR H . . 4.040 2.941 2.224 3.528 . 0 0 "[ . 1 . 2]" 1
624 1 46 VAL QG 1 54 TYR HB3 . . 3.990 3.679 3.149 4.024 0.034 12 0 "[ . 1 . 2]" 1
625 1 46 VAL QG 1 54 TYR QD . . 3.740 3.223 1.978 3.738 . 0 0 "[ . 1 . 2]" 1
626 1 46 VAL QG 1 54 TYR QE . . 5.500 4.898 2.999 5.428 . 0 0 "[ . 1 . 2]" 1
627 1 47 ILE H 1 47 ILE HB . . 3.410 2.505 2.351 2.758 . 0 0 "[ . 1 . 2]" 1
628 1 47 ILE H 1 47 ILE MD . . 4.880 2.598 1.986 3.453 . 0 0 "[ . 1 . 2]" 1
629 1 47 ILE H 1 47 ILE HG13 . . 4.550 3.202 2.737 3.778 . 0 0 "[ . 1 . 2]" 1
630 1 47 ILE H 1 47 ILE MG . . 4.200 3.813 3.758 3.919 . 0 0 "[ . 1 . 2]" 1
631 1 47 ILE H 1 48 PHE H . . 5.500 4.350 4.078 4.559 . 0 0 "[ . 1 . 2]" 1
632 1 47 ILE H 1 48 PHE QD . . 5.500 4.597 4.228 5.104 . 0 0 "[ . 1 . 2]" 1
633 1 47 ILE H 1 53 HIS HA . . 5.500 4.866 4.682 5.079 . 0 0 "[ . 1 . 2]" 1
634 1 47 ILE H 1 54 TYR H . . 5.500 5.240 4.993 5.568 0.068 12 0 "[ . 1 . 2]" 1
635 1 47 ILE HA 1 47 ILE HG13 . . 3.820 2.600 2.393 2.874 . 0 0 "[ . 1 . 2]" 1
636 1 47 ILE HA 1 47 ILE MG . . 3.440 2.426 2.324 2.600 . 0 0 "[ . 1 . 2]" 1
637 1 47 ILE HA 1 48 PHE H . . 3.280 2.208 2.112 2.292 . 0 0 "[ . 1 . 2]" 1
638 1 47 ILE HA 1 53 HIS HA . . 3.620 2.492 2.188 2.894 . 0 0 "[ . 1 . 2]" 1
639 1 47 ILE HA 1 54 TYR H . . 5.410 3.971 3.525 4.433 . 0 0 "[ . 1 . 2]" 1
640 1 47 ILE HB 1 47 ILE MD . . 3.610 2.290 2.164 2.468 . 0 0 "[ . 1 . 2]" 1
641 1 47 ILE MD 1 48 PHE H . . 5.310 5.272 5.102 5.422 0.112 20 0 "[ . 1 . 2]" 1
642 1 47 ILE MD 1 53 HIS HB3 . . 5.500 5.986 5.315 6.556 1.056 12 10 "[* - ** *1 + .** **]" 1
643 1 47 ILE MD 1 53 HIS HD2 . . 5.500 3.862 2.848 4.558 . 0 0 "[ . 1 . 2]" 1
644 1 47 ILE MD 1 53 HIS HE1 . . 5.060 4.092 3.142 5.017 . 0 0 "[ . 1 . 2]" 1
645 1 47 ILE HG13 1 48 PHE H . . 5.500 4.717 4.501 4.982 . 0 0 "[ . 1 . 2]" 1
646 1 47 ILE HG13 1 53 HIS HA . . 4.700 3.753 3.251 4.178 . 0 0 "[ . 1 . 2]" 1
647 1 47 ILE HG13 1 53 HIS HB3 . . 4.880 5.098 4.459 5.574 0.694 2 5 "[ + . * *- . *]" 1
648 1 47 ILE HG13 1 53 HIS HD2 . . 5.150 2.892 2.227 3.551 . 0 0 "[ . 1 . 2]" 1
649 1 47 ILE HG13 1 54 TYR H . . 5.080 4.767 4.152 5.145 0.065 12 0 "[ . 1 . 2]" 1
650 1 47 ILE MG 1 48 PHE H . . 3.710 2.898 2.393 3.275 . 0 0 "[ . 1 . 2]" 1
651 1 47 ILE MG 1 48 PHE QD . . 5.480 5.043 4.624 5.280 . 0 0 "[ . 1 . 2]" 1
652 1 47 ILE MG 1 49 GLU H . . 5.500 5.036 4.659 5.357 . 0 0 "[ . 1 . 2]" 1
653 1 47 ILE MG 1 49 GLU HA . . 4.920 4.531 3.969 4.984 0.064 12 0 "[ . 1 . 2]" 1
654 1 47 ILE MG 1 51 GLY H . . 5.140 4.451 3.703 4.918 . 0 0 "[ . 1 . 2]" 1
655 1 47 ILE MG 1 51 GLY HA2 . . 4.640 3.900 2.972 4.374 . 0 0 "[ . 1 . 2]" 1
656 1 47 ILE MG 1 52 ARG H . . 5.500 4.169 3.244 5.525 0.025 6 0 "[ . 1 . 2]" 1
657 1 47 ILE MG 1 53 HIS H . . 5.500 4.951 4.265 5.600 0.100 16 0 "[ . 1 . 2]" 1
658 1 47 ILE MG 1 53 HIS HA . . 5.500 3.935 3.399 4.443 . 0 0 "[ . 1 . 2]" 1
659 1 47 ILE MG 1 53 HIS HB3 . . 5.220 4.981 4.055 5.560 0.340 16 0 "[ . 1 . 2]" 1
660 1 48 PHE H 1 48 PHE HB3 . . 4.170 3.438 3.178 3.592 . 0 0 "[ . 1 . 2]" 1
661 1 48 PHE H 1 48 PHE QD . . 3.910 3.149 2.560 3.906 . 0 0 "[ . 1 . 2]" 1
662 1 48 PHE H 1 50 ASP H . . 5.500 5.028 4.381 5.378 . 0 0 "[ . 1 . 2]" 1
663 1 48 PHE H 1 51 GLY H . . 5.040 4.407 3.889 5.083 0.043 16 0 "[ . 1 . 2]" 1
664 1 48 PHE H 1 52 ARG H . . 4.450 2.931 2.331 4.192 . 0 0 "[ . 1 . 2]" 1
665 1 48 PHE H 1 53 HIS H . . 5.350 4.699 4.336 5.064 . 0 0 "[ . 1 . 2]" 1
666 1 48 PHE H 1 53 HIS HA . . 4.770 3.497 3.027 4.041 . 0 0 "[ . 1 . 2]" 1
667 1 48 PHE HA 1 48 PHE QD . . 4.200 2.615 2.163 3.119 . 0 0 "[ . 1 . 2]" 1
668 1 48 PHE HA 1 49 GLU H . . 3.150 2.339 2.251 2.480 . 0 0 "[ . 1 . 2]" 1
669 1 48 PHE HA 1 49 GLU HA . . 4.910 4.416 4.283 4.534 . 0 0 "[ . 1 . 2]" 1
670 1 48 PHE HA 1 50 ASP H . . 4.470 4.109 3.793 4.363 . 0 0 "[ . 1 . 2]" 1
671 1 48 PHE HA 1 52 ARG H . . 5.500 4.763 4.330 5.556 0.056 6 0 "[ . 1 . 2]" 1
672 1 48 PHE HB3 1 49 GLU H . . 3.340 2.698 2.418 3.021 . 0 0 "[ . 1 . 2]" 1
673 1 48 PHE HB3 1 50 ASP H . . 3.300 2.247 1.837 2.728 . 0 0 "[ . 1 . 2]" 1
674 1 48 PHE HB3 1 52 ARG H . . 3.850 3.264 2.688 3.916 0.066 20 0 "[ . 1 . 2]" 1
675 1 48 PHE QD 1 49 GLU H . . 4.510 3.718 2.945 4.067 . 0 0 "[ . 1 . 2]" 1
676 1 48 PHE QD 1 50 ASP H . . 5.060 3.505 3.055 4.072 . 0 0 "[ . 1 . 2]" 1
677 1 48 PHE QD 1 50 ASP HB3 . . 5.500 4.086 2.350 5.942 0.442 15 0 "[ . 1 . 2]" 1
678 1 48 PHE QD 1 52 ARG H . . 4.780 4.408 3.976 4.799 0.019 13 0 "[ . 1 . 2]" 1
679 1 48 PHE HZ 1 52 ARG HD3 . . 5.500 5.807 4.869 7.189 1.689 6 6 "[ *.+ ** - . * 2]" 1
680 1 49 GLU H 1 49 GLU HB3 . . 3.440 3.421 3.177 3.513 0.073 2 0 "[ . 1 . 2]" 1
681 1 49 GLU H 1 50 ASP H . . 3.390 2.628 2.349 2.819 . 0 0 "[ . 1 . 2]" 1
682 1 49 GLU HA 1 49 GLU HG3 . . 3.890 3.289 2.251 3.699 . 0 0 "[ . 1 . 2]" 1
683 1 49 GLU HA 1 51 GLY H . . 4.310 3.758 3.482 4.354 0.044 14 0 "[ . 1 . 2]" 1
684 1 49 GLU HB3 1 50 ASP H . . 3.770 3.455 2.928 3.843 0.073 14 0 "[ . 1 . 2]" 1
685 1 49 GLU HB3 1 50 ASP HA . . 4.900 4.239 3.680 4.748 . 0 0 "[ . 1 . 2]" 1
686 1 49 GLU HG3 1 50 ASP H . . 5.500 4.980 4.416 5.559 0.059 18 0 "[ . 1 . 2]" 1
687 1 50 ASP H 1 50 ASP HB3 . . 3.500 3.050 2.428 3.756 0.256 15 0 "[ . 1 . 2]" 1
688 1 50 ASP H 1 51 GLY H . . 3.390 2.774 2.409 3.077 . 0 0 "[ . 1 . 2]" 1
689 1 50 ASP H 1 51 GLY HA2 . . 4.880 4.932 4.690 4.964 0.084 10 0 "[ . 1 . 2]" 1
690 1 50 ASP H 1 52 ARG H . . 4.660 4.161 3.316 4.697 0.037 12 0 "[ . 1 . 2]" 1
691 1 50 ASP HA 1 50 ASP HB3 . . 2.940 2.855 2.461 3.016 0.076 10 0 "[ . 1 . 2]" 1
692 1 50 ASP HB3 1 51 GLY H . . 5.440 4.033 3.649 4.489 . 0 0 "[ . 1 . 2]" 1
693 1 51 GLY H 1 52 ARG HG3 . . 5.500 3.934 3.238 5.136 . 0 0 "[ . 1 . 2]" 1
694 1 51 GLY HA3 1 53 HIS H . . 5.500 5.465 4.934 5.596 0.096 2 0 "[ . 1 . 2]" 1
695 1 52 ARG H 1 52 ARG HD3 . . 5.500 4.771 3.960 5.693 0.193 12 0 "[ . 1 . 2]" 1
696 1 52 ARG H 1 52 ARG HG3 . . 3.340 2.731 1.964 3.276 . 0 0 "[ . 1 . 2]" 1
697 1 52 ARG H 1 53 HIS H . . 4.950 3.816 3.331 4.503 . 0 0 "[ . 1 . 2]" 1
698 1 52 ARG H 1 54 TYR QE . . 5.500 5.361 4.640 5.598 0.098 10 0 "[ . 1 . 2]" 1
699 1 52 ARG HA 1 52 ARG HD3 . . 5.500 4.627 4.265 4.820 . 0 0 "[ . 1 . 2]" 1
700 1 52 ARG HA 1 52 ARG HG3 . . 3.220 3.252 2.856 3.658 0.438 11 0 "[ . 1 . 2]" 1
701 1 52 ARG HA 1 53 HIS H . . 2.780 2.241 2.097 2.360 . 0 0 "[ . 1 . 2]" 1
702 1 52 ARG HA 1 53 HIS HB3 . . 4.840 4.832 4.663 5.036 0.196 9 0 "[ . 1 . 2]" 1
703 1 52 ARG HA 1 54 TYR QD . . 5.120 4.842 3.627 5.213 0.093 15 0 "[ . 1 . 2]" 1
704 1 52 ARG HB3 1 53 HIS H . . 4.260 3.989 3.453 4.213 . 0 0 "[ . 1 . 2]" 1
705 1 52 ARG HB3 1 54 TYR QD . . 4.350 3.825 2.948 4.389 0.039 20 0 "[ . 1 . 2]" 1
706 1 52 ARG HB3 1 54 TYR QE . . 3.510 2.390 2.055 2.833 . 0 0 "[ . 1 . 2]" 1
707 1 53 HIS H 1 53 HIS HB3 . . 3.740 2.606 2.441 2.795 . 0 0 "[ . 1 . 2]" 1
708 1 53 HIS H 1 53 HIS HD2 . . 5.420 5.052 4.956 5.156 . 0 0 "[ . 1 . 2]" 1
709 1 53 HIS H 1 54 TYR QD . . 4.910 4.705 3.688 5.003 0.093 7 0 "[ . 1 . 2]" 1
710 1 53 HIS H 1 67 GLU HA . . 5.500 5.394 4.829 5.591 0.091 2 0 "[ . 1 . 2]" 1
711 1 53 HIS HA 1 53 HIS HD2 . . 4.600 2.456 2.244 2.775 . 0 0 "[ . 1 . 2]" 1
712 1 53 HIS HA 1 54 TYR H . . 3.120 2.204 2.155 2.332 . 0 0 "[ . 1 . 2]" 1
713 1 53 HIS HA 1 54 TYR QD . . 5.020 4.088 3.056 4.769 . 0 0 "[ . 1 . 2]" 1
714 1 53 HIS HB3 1 54 TYR H . . 5.110 4.183 3.625 4.356 . 0 0 "[ . 1 . 2]" 1
715 1 53 HIS HB3 1 68 GLU H . . 5.500 3.473 2.898 3.988 . 0 0 "[ . 1 . 2]" 1
716 1 53 HIS HB3 1 68 GLU HB3 . . 4.520 2.616 2.137 3.196 . 0 0 "[ . 1 . 2]" 1
717 1 53 HIS HD2 1 54 TYR H . . 4.210 2.334 1.998 2.727 . 0 0 "[ . 1 . 2]" 1
718 1 53 HIS HD2 1 54 TYR QD . . 5.420 5.264 4.054 5.521 0.101 4 0 "[ . 1 . 2]" 1
719 1 54 TYR H 1 54 TYR QD . . 4.010 3.334 2.872 3.691 . 0 0 "[ . 1 . 2]" 1
720 1 54 TYR H 1 54 TYR QE . . 5.500 5.201 4.912 5.410 . 0 0 "[ . 1 . 2]" 1
721 1 54 TYR H 1 55 THR MG . . 5.500 4.979 4.339 5.549 0.049 18 0 "[ . 1 . 2]" 1
722 1 54 TYR H 1 68 GLU H . . 4.990 4.735 4.136 5.056 0.066 4 0 "[ . 1 . 2]" 1
723 1 54 TYR HA 1 54 TYR QD . . 4.180 2.599 2.139 3.160 . 0 0 "[ . 1 . 2]" 1
724 1 54 TYR HA 1 55 THR H . . 2.820 2.291 2.164 2.625 . 0 0 "[ . 1 . 2]" 1
725 1 54 TYR HA 1 55 THR MG . . 4.780 3.743 3.289 4.089 . 0 0 "[ . 1 . 2]" 1
726 1 54 TYR HA 1 66 GLU H . . 5.500 4.254 3.736 5.054 . 0 0 "[ . 1 . 2]" 1
727 1 54 TYR HA 1 67 GLU HA . . 3.130 2.387 2.092 3.015 . 0 0 "[ . 1 . 2]" 1
728 1 54 TYR HA 1 68 GLU H . . 3.390 2.953 2.333 3.468 0.078 17 0 "[ . 1 . 2]" 1
729 1 54 TYR HB3 1 55 THR H . . 3.640 3.011 2.300 3.421 . 0 0 "[ . 1 . 2]" 1
730 1 54 TYR HB3 1 55 THR MG . . 5.500 5.055 4.272 5.389 . 0 0 "[ . 1 . 2]" 1
731 1 54 TYR HB3 1 66 GLU H . . 4.160 3.709 2.920 4.242 0.082 9 0 "[ . 1 . 2]" 1
732 1 54 TYR QD 1 55 THR H . . 4.950 3.886 3.466 4.232 . 0 0 "[ . 1 . 2]" 1
733 1 54 TYR QD 1 55 THR MG . . 5.500 5.375 4.387 5.620 0.120 16 0 "[ . 1 . 2]" 1
734 1 54 TYR QD 1 65 TYR HB3 . . 5.500 5.273 4.151 6.173 0.673 14 3 "[ * . - 1 +. 2]" 1
735 1 54 TYR QD 1 66 GLU H . . 5.500 3.950 2.448 5.324 . 0 0 "[ . 1 . 2]" 1
736 1 54 TYR QD 1 67 GLU H . . 5.500 3.959 3.459 4.597 . 0 0 "[ . 1 . 2]" 1
737 1 54 TYR QD 1 67 GLU HA . . 3.980 2.297 1.922 3.368 . 0 0 "[ . 1 . 2]" 1
738 1 54 TYR QD 1 68 GLU H . . 5.500 4.124 3.366 4.699 . 0 0 "[ . 1 . 2]" 1
739 1 54 TYR QE 1 67 GLU H . . 5.500 4.900 3.679 5.594 0.094 10 0 "[ . 1 . 2]" 1
740 1 54 TYR QE 1 67 GLU HA . . 4.650 3.461 2.232 4.008 . 0 0 "[ . 1 . 2]" 1
741 1 54 TYR QE 1 67 GLU HB3 . . 4.600 4.263 2.419 5.008 0.408 4 0 "[ . 1 . 2]" 1
742 1 54 TYR QE 1 67 GLU HG3 . . 5.260 3.794 2.734 5.349 0.089 13 0 "[ . 1 . 2]" 1
743 1 55 THR H 1 55 THR HB . . 4.030 3.502 2.946 3.711 . 0 0 "[ . 1 . 2]" 1
744 1 55 THR H 1 55 THR MG . . 3.810 2.603 1.746 3.037 . 0 0 "[ . 1 . 2]" 1
745 1 55 THR H 1 65 TYR HA . . 5.500 4.377 3.473 5.560 0.060 9 0 "[ . 1 . 2]" 1
746 1 55 THR H 1 65 TYR HB3 . . 5.500 4.946 3.168 6.422 0.922 7 2 "[ - . + 1 . 2]" 1
747 1 55 THR H 1 66 GLU H . . 4.720 3.001 2.482 4.005 . 0 0 "[ . 1 . 2]" 1
748 1 55 THR H 1 66 GLU HA . . 5.500 5.218 4.562 5.590 0.090 8 0 "[ . 1 . 2]" 1
749 1 55 THR H 1 67 GLU H . . 5.500 4.401 3.230 5.567 0.067 16 0 "[ . 1 . 2]" 1
750 1 55 THR H 1 67 GLU HA . . 4.250 3.703 3.058 4.320 0.070 8 0 "[ . 1 . 2]" 1
751 1 55 THR H 1 68 GLU H . . 4.880 4.293 3.279 4.950 0.070 13 0 "[ . 1 . 2]" 1
752 1 55 THR HA 1 55 THR MG . . 3.290 2.382 2.202 3.225 . 0 0 "[ . 1 . 2]" 1
753 1 55 THR MG 1 68 GLU H . . 5.500 4.116 3.522 4.986 . 0 0 "[ . 1 . 2]" 1
754 1 55 THR MG 1 68 GLU HG3 . . 4.560 3.027 2.126 4.681 0.121 4 0 "[ . 1 . 2]" 1
755 1 56 PHE HA 1 57 VAL H . . 2.950 2.124 1.990 2.242 . 0 0 "[ . 1 . 2]" 1
756 1 56 PHE HA 1 57 VAL HB . . 4.690 4.661 4.304 4.770 0.080 3 0 "[ . 1 . 2]" 1
757 1 56 PHE HA 1 57 VAL QG . . 4.700 3.656 3.361 4.010 . 0 0 "[ . 1 . 2]" 1
758 1 56 PHE HA 1 58 TYR H . . 5.500 5.508 4.743 5.587 0.087 7 0 "[ . 1 . 2]" 1
759 1 56 PHE HB3 1 57 VAL H . . 4.640 3.557 2.539 4.042 . 0 0 "[ . 1 . 2]" 1
760 1 56 PHE HB3 1 63 LEU QD . . 4.440 3.409 2.681 3.963 . 0 0 "[ . 1 . 2]" 1
761 1 56 PHE QD 1 63 LEU QD . . 5.420 2.497 2.066 2.805 . 0 0 "[ . 1 . 2]" 1
762 1 56 PHE QE 1 63 LEU QD . . 5.500 2.340 2.095 2.741 . 0 0 "[ . 1 . 2]" 1
763 1 57 VAL H 1 57 VAL HB . . 3.650 3.207 2.470 3.553 . 0 0 "[ . 1 . 2]" 1
764 1 57 VAL H 1 57 VAL QG . . 4.110 2.443 2.123 2.957 . 0 0 "[ . 1 . 2]" 1
765 1 57 VAL H 1 58 TYR H . . 5.500 3.946 3.094 4.189 . 0 0 "[ . 1 . 2]" 1
766 1 57 VAL HA 1 58 TYR H . . 3.120 2.112 1.978 2.267 . 0 0 "[ . 1 . 2]" 1
767 1 57 VAL HB 1 58 TYR H . . 4.450 4.306 4.055 4.512 0.062 12 0 "[ . 1 . 2]" 1
768 1 57 VAL QG 1 58 TYR H . . 3.620 3.017 2.670 3.478 . 0 0 "[ . 1 . 2]" 1
769 1 57 VAL QG 1 58 TYR HA . . 5.100 3.722 3.488 4.050 . 0 0 "[ . 1 . 2]" 1
770 1 57 VAL QG 1 59 GLU H . . 5.070 3.795 2.862 4.315 . 0 0 "[ . 1 . 2]" 1
771 1 58 TYR H 1 58 TYR HB3 . . 4.000 2.555 2.348 2.702 . 0 0 "[ . 1 . 2]" 1
772 1 58 TYR H 1 58 TYR QD . . 5.370 4.319 4.230 4.400 . 0 0 "[ . 1 . 2]" 1
773 1 58 TYR H 1 59 GLU H . . 5.420 4.324 3.993 4.550 . 0 0 "[ . 1 . 2]" 1
774 1 58 TYR HA 1 58 TYR QD . . 3.890 2.358 2.142 2.690 . 0 0 "[ . 1 . 2]" 1
775 1 58 TYR HA 1 58 TYR QE . . 5.140 4.489 4.322 4.686 . 0 0 "[ . 1 . 2]" 1
776 1 58 TYR HA 1 59 GLU H . . 3.010 2.202 2.147 2.312 . 0 0 "[ . 1 . 2]" 1
777 1 58 TYR HA 1 62 ASP H . . 4.990 4.719 4.106 5.054 0.064 19 0 "[ . 1 . 2]" 1
778 1 58 TYR HA 1 63 LEU HA . . 3.430 2.439 2.223 2.787 . 0 0 "[ . 1 . 2]" 1
779 1 58 TYR HA 1 63 LEU QD . . 4.240 3.068 2.382 3.657 . 0 0 "[ . 1 . 2]" 1
780 1 58 TYR HA 1 64 VAL H . . 4.240 3.734 3.268 4.337 0.097 9 0 "[ . 1 . 2]" 1
781 1 58 TYR HB3 1 59 GLU H . . 4.620 4.308 4.042 4.485 . 0 0 "[ . 1 . 2]" 1
782 1 58 TYR HB3 1 63 LEU QD . . 3.940 4.081 3.501 4.501 0.561 15 1 "[ . 1 + 2]" 1
783 1 58 TYR QD 1 59 GLU H . . 4.260 3.350 2.763 3.994 . 0 0 "[ . 1 . 2]" 1
784 1 58 TYR QD 1 59 GLU HA . . 5.080 4.562 3.373 5.162 0.082 14 0 "[ . 1 . 2]" 1
785 1 58 TYR QD 1 61 GLU H . . 5.500 4.959 4.539 5.254 . 0 0 "[ . 1 . 2]" 1
786 1 58 TYR QD 1 61 GLU HA . . 5.460 4.521 3.846 4.983 . 0 0 "[ . 1 . 2]" 1
787 1 58 TYR QD 1 62 ASP HA . . 5.480 4.755 3.676 5.517 0.037 19 0 "[ . 1 . 2]" 1
788 1 58 TYR QD 1 63 LEU H . . 4.880 4.071 3.072 4.767 . 0 0 "[ . 1 . 2]" 1
789 1 58 TYR QD 1 63 LEU HA . . 3.890 2.797 2.303 3.373 . 0 0 "[ . 1 . 2]" 1
790 1 58 TYR QD 1 63 LEU HB3 . . 3.560 3.962 3.127 4.582 1.022 10 7 "[*- * + * . **2]" 1
791 1 58 TYR QD 1 63 LEU QD . . 3.770 3.031 2.365 3.456 . 0 0 "[ . 1 . 2]" 1
792 1 58 TYR QE 1 59 GLU H . . 5.500 4.685 4.278 5.392 . 0 0 "[ . 1 . 2]" 1
793 1 58 TYR QE 1 61 GLU H . . 4.530 4.413 4.080 4.614 0.084 10 0 "[ . 1 . 2]" 1
794 1 58 TYR QE 1 61 GLU HA . . 4.100 2.824 2.357 3.269 . 0 0 "[ . 1 . 2]" 1
795 1 58 TYR QE 1 61 GLU HB3 . . 5.500 4.775 4.039 5.370 . 0 0 "[ . 1 . 2]" 1
796 1 58 TYR QE 1 62 ASP H . . 5.500 4.111 3.343 4.981 . 0 0 "[ . 1 . 2]" 1
797 1 58 TYR QE 1 63 LEU H . . 4.910 4.586 3.395 5.005 0.095 8 0 "[ . 1 . 2]" 1
798 1 58 TYR QE 1 63 LEU HB3 . . 4.020 4.804 3.880 5.622 1.602 10 14 "[*** ** * + -**.* ***]" 1
799 1 59 GLU H 1 59 GLU HG3 . . 5.250 3.136 2.137 4.306 . 0 0 "[ . 1 . 2]" 1
800 1 59 GLU H 1 60 ASN H . . 5.500 3.995 3.670 4.370 . 0 0 "[ . 1 . 2]" 1
801 1 59 GLU H 1 61 GLU H . . 5.090 4.013 3.261 4.511 . 0 0 "[ . 1 . 2]" 1
802 1 59 GLU H 1 62 ASP H . . 3.620 3.212 2.771 3.465 . 0 0 "[ . 1 . 2]" 1
803 1 59 GLU H 1 63 LEU HA . . 4.770 3.696 3.335 4.060 . 0 0 "[ . 1 . 2]" 1
804 1 59 GLU HA 1 60 ASN H . . 2.930 2.192 2.049 2.973 0.043 10 0 "[ . 1 . 2]" 1
805 1 59 GLU HA 1 61 GLU H . . 5.270 4.661 4.259 5.012 . 0 0 "[ . 1 . 2]" 1
806 1 59 GLU HA 1 62 ASP H . . 5.260 4.877 4.666 5.014 . 0 0 "[ . 1 . 2]" 1
807 1 59 GLU HG3 1 60 ASN H . . 4.890 4.442 3.260 5.055 0.165 15 0 "[ . 1 . 2]" 1
808 1 59 GLU HG3 1 61 GLU H . . 3.900 3.923 2.906 4.220 0.320 13 0 "[ . 1 . 2]" 1
809 1 59 GLU HG3 1 62 ASP H . . 4.340 3.450 1.890 4.405 0.065 17 0 "[ . 1 . 2]" 1
810 1 60 ASN H 1 60 ASN HA . . 2.820 2.225 2.148 2.744 . 0 0 "[ . 1 . 2]" 1
811 1 60 ASN H 1 60 ASN HD21 . . 5.500 5.007 3.845 5.577 0.077 7 0 "[ . 1 . 2]" 1
812 1 60 ASN H 1 61 GLU H . . 4.270 3.704 2.966 4.047 . 0 0 "[ . 1 . 2]" 1
813 1 60 ASN H 1 62 ASP H . . 5.410 4.626 3.964 4.835 . 0 0 "[ . 1 . 2]" 1
814 1 60 ASN HA 1 60 ASN HD22 . . 5.500 3.919 3.405 4.492 . 0 0 "[ . 1 . 2]" 1
815 1 60 ASN HA 1 61 GLU H . . 3.480 3.537 3.510 3.562 0.082 2 0 "[ . 1 . 2]" 1
816 1 60 ASN HA 1 62 ASP H . . 5.230 5.014 4.795 5.173 . 0 0 "[ . 1 . 2]" 1
817 1 60 ASN HB3 1 60 ASN HD21 . . 3.620 2.805 2.230 3.671 0.051 16 0 "[ . 1 . 2]" 1
818 1 60 ASN HB3 1 61 GLU H . . 4.660 2.292 1.989 2.600 . 0 0 "[ . 1 . 2]" 1
819 1 60 ASN HD22 1 61 GLU H . . 5.500 5.260 4.754 5.582 0.082 3 0 "[ . 1 . 2]" 1
820 1 61 GLU H 1 61 GLU HG3 . . 4.070 3.353 3.053 3.945 . 0 0 "[ . 1 . 2]" 1
821 1 61 GLU H 1 62 ASP H . . 3.530 1.754 1.599 2.037 . 0 0 "[ . 1 . 2]" 1
822 1 61 GLU HA 1 61 GLU HG3 . . 3.710 3.529 2.988 3.803 0.093 9 0 "[ . 1 . 2]" 1
823 1 61 GLU HB3 1 62 ASP H . . 5.280 4.458 4.122 4.774 . 0 0 "[ . 1 . 2]" 1
824 1 61 GLU HG3 1 62 ASP H . . 5.360 4.222 2.931 5.125 . 0 0 "[ . 1 . 2]" 1
825 1 62 ASP H 1 62 ASP HB3 . . 3.640 3.237 2.545 3.580 . 0 0 "[ . 1 . 2]" 1
826 1 62 ASP H 1 63 LEU H . . 4.790 4.371 3.616 4.599 . 0 0 "[ . 1 . 2]" 1
827 1 62 ASP H 1 64 VAL QG . . 5.500 5.295 4.736 5.612 0.112 9 0 "[ . 1 . 2]" 1
828 1 62 ASP HA 1 63 LEU H . . 2.950 2.255 2.081 2.428 . 0 0 "[ . 1 . 2]" 1
829 1 62 ASP HA 1 63 LEU HB3 . . 5.450 4.786 4.188 5.504 0.054 5 0 "[ . 1 . 2]" 1
830 1 62 ASP HB3 1 63 LEU H . . 4.150 3.607 2.860 4.263 0.113 11 0 "[ . 1 . 2]" 1
831 1 62 ASP HB3 1 64 VAL QG . . 4.980 3.002 2.166 4.053 . 0 0 "[ . 1 . 2]" 1
832 1 63 LEU H 1 63 LEU HB3 . . 3.550 2.805 2.289 3.275 . 0 0 "[ . 1 . 2]" 1
833 1 63 LEU H 1 63 LEU QD . . 5.060 3.949 3.725 4.108 . 0 0 "[ . 1 . 2]" 1
834 1 63 LEU H 1 64 VAL H . . 5.200 4.143 3.808 4.498 . 0 0 "[ . 1 . 2]" 1
835 1 63 LEU H 1 64 VAL QG . . 5.000 3.644 2.670 4.703 . 0 0 "[ . 1 . 2]" 1
836 1 63 LEU HA 1 63 LEU QD . . 3.680 2.213 2.059 2.438 . 0 0 "[ . 1 . 2]" 1
837 1 63 LEU HA 1 64 VAL H . . 3.260 2.200 2.104 2.250 . 0 0 "[ . 1 . 2]" 1
838 1 63 LEU HA 1 64 VAL HB . . 4.910 4.788 4.571 4.976 0.066 6 0 "[ . 1 . 2]" 1
839 1 63 LEU HB3 1 64 VAL H . . 5.190 4.317 3.936 4.593 . 0 0 "[ . 1 . 2]" 1
840 1 63 LEU QD 1 64 VAL H . . 3.960 2.576 2.045 3.129 . 0 0 "[ . 1 . 2]" 1
841 1 63 LEU QD 1 65 TYR QD . . 4.440 3.115 2.117 3.919 . 0 0 "[ . 1 . 2]" 1
842 1 63 LEU QD 1 65 TYR QE . . 4.670 3.942 3.019 4.618 . 0 0 "[ . 1 . 2]" 1
843 1 64 VAL H 1 64 VAL HB . . 3.640 2.806 2.374 3.209 . 0 0 "[ . 1 . 2]" 1
844 1 64 VAL H 1 64 VAL QG . . 3.570 2.523 2.051 2.876 . 0 0 "[ . 1 . 2]" 1
845 1 64 VAL H 1 65 TYR H . . 4.690 4.477 4.230 4.604 . 0 0 "[ . 1 . 2]" 1
846 1 64 VAL HA 1 64 VAL QG . . 3.240 2.183 2.091 2.436 . 0 0 "[ . 1 . 2]" 1
847 1 64 VAL HA 1 65 TYR H . . 3.050 2.339 2.152 2.560 . 0 0 "[ . 1 . 2]" 1
848 1 64 VAL HA 1 65 TYR QD . . 5.500 3.934 3.142 5.051 . 0 0 "[ . 1 . 2]" 1
849 1 64 VAL HB 1 65 TYR H . . 4.000 3.767 3.298 4.070 0.070 9 0 "[ . 1 . 2]" 1
850 1 64 VAL QG 1 65 TYR H . . 3.510 2.231 1.905 2.680 . 0 0 "[ . 1 . 2]" 1
851 1 64 VAL QG 1 65 TYR HA . . 5.500 3.608 3.336 3.994 . 0 0 "[ . 1 . 2]" 1
852 1 64 VAL QG 1 66 GLU H . . 5.500 4.885 4.479 5.366 . 0 0 "[ . 1 . 2]" 1
853 1 65 TYR H 1 65 TYR QD . . 4.430 3.306 2.640 4.291 . 0 0 "[ . 1 . 2]" 1
854 1 65 TYR HA 1 66 GLU H . . 3.360 2.424 2.114 2.686 . 0 0 "[ . 1 . 2]" 1
855 1 65 TYR HB3 1 66 GLU H . . 4.270 3.684 2.035 4.033 . 0 0 "[ . 1 . 2]" 1
856 1 65 TYR QD 1 66 GLU H . . 5.500 3.408 2.292 4.453 . 0 0 "[ . 1 . 2]" 1
857 1 65 TYR QD 1 66 GLU HB3 . . 4.730 5.241 4.362 6.056 1.326 5 10 "[** *+** *1 .-** 2]" 1
858 1 66 GLU HA 1 67 GLU H . . 3.520 3.104 2.241 3.599 0.079 15 0 "[ . 1 . 2]" 1
859 1 66 GLU HA 1 67 GLU HB3 . . 4.990 4.819 3.637 5.190 0.200 8 0 "[ . 1 . 2]" 1
860 1 66 GLU HB3 1 67 GLU H . . 4.270 2.865 1.992 3.920 . 0 0 "[ . 1 . 2]" 1
861 1 67 GLU H 1 67 GLU HB3 . . 3.630 2.685 2.276 3.075 . 0 0 "[ . 1 . 2]" 1
862 1 67 GLU H 1 67 GLU HG3 . . 4.490 4.432 3.673 4.794 0.304 17 0 "[ . 1 . 2]" 1
863 1 67 GLU HA 1 67 GLU HG3 . . 3.890 2.657 2.267 3.718 . 0 0 "[ . 1 . 2]" 1
864 1 67 GLU HA 1 68 GLU H . . 3.140 2.308 2.179 2.448 . 0 0 "[ . 1 . 2]" 1
865 1 67 GLU HB3 1 69 VAL QG . . 4.630 3.149 2.315 4.569 . 0 0 "[ . 1 . 2]" 1
866 1 67 GLU HG3 1 68 GLU H . . 3.890 2.815 1.816 3.635 . 0 0 "[ . 1 . 2]" 1
867 1 68 GLU H 1 68 GLU HB3 . . 3.770 2.894 2.176 3.605 . 0 0 "[ . 1 . 2]" 1
868 1 68 GLU HA 1 68 GLU HG3 . . 4.110 3.020 2.179 3.684 . 0 0 "[ . 1 . 2]" 1
869 1 68 GLU HA 1 69 VAL H . . 3.040 2.239 2.077 2.796 . 0 0 "[ . 1 . 2]" 1
870 1 68 GLU HA 1 70 LEU H . . 5.410 4.950 3.643 5.483 0.073 14 0 "[ . 1 . 2]" 1
871 1 68 GLU HB3 1 69 VAL H . . 5.380 4.226 3.727 4.507 . 0 0 "[ . 1 . 2]" 1
872 1 68 GLU HB3 1 69 VAL HA . . 5.330 4.717 4.100 5.840 0.510 4 1 "[ +. 1 . 2]" 1
873 1 68 GLU HB3 1 70 LEU H . . 5.500 5.136 4.228 6.621 1.121 4 1 "[ +. 1 . 2]" 1
874 1 69 VAL H 1 69 VAL HB . . 3.740 3.181 2.536 3.794 0.054 16 0 "[ . 1 . 2]" 1
875 1 69 VAL H 1 69 VAL QG . . 4.010 2.523 1.917 3.026 . 0 0 "[ . 1 . 2]" 1
876 1 69 VAL H 1 70 LEU H . . 4.340 3.620 2.152 4.408 0.068 17 0 "[ . 1 . 2]" 1
877 1 69 VAL H 1 70 LEU QD . . 4.800 3.938 2.521 4.748 . 0 0 "[ . 1 . 2]" 1
878 1 69 VAL HA 1 69 VAL QG . . 3.330 2.204 2.090 2.390 . 0 0 "[ . 1 . 2]" 1
879 1 69 VAL HA 1 70 LEU H . . 2.790 2.262 1.986 2.864 0.074 16 0 "[ . 1 . 2]" 1
880 1 69 VAL HB 1 70 LEU H . . 4.720 4.312 3.556 4.631 . 0 0 "[ . 1 . 2]" 1
881 1 69 VAL QG 1 70 LEU H . . 4.290 3.355 2.677 3.809 . 0 0 "[ . 1 . 2]" 1
882 1 70 LEU H 1 70 LEU HG . . 4.070 3.512 2.740 4.137 0.067 18 0 "[ . 1 . 2]" 1
883 1 70 LEU HA 1 70 LEU QD . . 3.630 2.714 2.021 3.450 . 0 0 "[ . 1 . 2]" 1
884 1 70 LEU HA 1 70 LEU HG . . 4.250 3.241 2.262 4.264 0.014 3 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 4:57:24 AM GMT (wattos1)