NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
643496 |
6k4i   |
25689 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6k4i
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 1129
_Distance_constraint_stats_list.Viol_count 1765
_Distance_constraint_stats_list.Viol_total 10314.418
_Distance_constraint_stats_list.Viol_max 2.858
_Distance_constraint_stats_list.Viol_rms 0.1160
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0228
_Distance_constraint_stats_list.Viol_average_violations_only 0.2922
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 15.995 0.903 2 16 "[*+* *****1** **- ***]"
1 2 GLN 28.439 2.858 4 17 "[***+****-1** *** ***]"
1 3 ILE 81.334 1.589 19 20 [*-****************+*]
1 4 PHE 41.037 0.980 19 20 [**-***************+*]
1 5 VAL 6.175 0.423 11 0 "[ . 1 . 2]"
1 6 LYS 30.903 1.451 12 13 "[*** * 1*+*-*****2]"
1 7 THR 4.785 0.328 12 0 "[ . 1 . 2]"
1 8 LEU 18.329 0.643 2 1 "[ + . 1 . 2]"
1 9 THR 11.195 0.416 18 0 "[ . 1 . 2]"
1 10 GLY 3.296 0.396 16 0 "[ . 1 . 2]"
1 11 LYS 34.584 1.485 18 16 "[-** ** *********+*2]"
1 12 THR 31.798 1.485 18 14 "[ * .* ******-.**+**]"
1 13 ILE 38.586 0.780 17 20 [******-*********+***]
1 14 THR 81.121 2.858 4 20 [***+*************-**]
1 15 LEU 22.162 0.905 6 7 "[ *.+* -1 * ** 2]"
1 16 GLU 0.121 0.037 6 0 "[ . 1 . 2]"
1 17 VAL 1.570 0.375 7 0 "[ . 1 . 2]"
1 18 GLU 23.281 1.057 13 20 [**********-*+*******]
1 19 PRO 0.902 0.136 8 0 "[ . 1 . 2]"
1 20 SER 8.309 0.501 11 1 "[ . 1+ . 2]"
1 21 ASP 34.567 1.057 13 20 [**********-*+*******]
1 22 THR 0.659 0.188 18 0 "[ . 1 . 2]"
1 23 ILE 41.060 1.276 4 19 "[** +***********-****]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 5.859 0.628 3 3 "[* + .- 1 . 2]"
1 26 VAL 12.854 0.904 2 16 "[*+ ******-* **** **]"
1 27 LYS 1.336 0.159 9 0 "[ . 1 . 2]"
1 28 ALA 4.821 1.022 2 1 "[ + . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 16.733 1.207 3 11 "[**+*. - *1* * ** * 2]"
1 31 GLN 15.568 1.207 3 7 "[**+-* 1* .* 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 1.310 0.531 4 1 "[ +. 1 . 2]"
1 34 GLU 5.458 0.537 16 3 "[ *. 1 .+ -]"
1 35 GLY 0.014 0.014 15 0 "[ . 1 . 2]"
1 36 ILE 4.723 0.781 5 2 "[ + 1 .- 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 1.608 0.516 2 1 "[ + . 1 . 2]"
1 39 ASP 1.092 0.078 13 0 "[ . 1 . 2]"
1 40 GLN 2.804 0.584 2 1 "[ + . 1 . 2]"
1 41 ASN 3.411 0.431 17 0 "[ . 1 . 2]"
1 42 ARG 6.423 0.889 17 4 "[ . ** .-+ 2]"
1 43 LEU 0.297 0.184 4 0 "[ . 1 . 2]"
1 44 ILE 13.729 0.706 8 5 "[ *. + 1 * .- * 2]"
1 45 PHE 2.595 0.330 12 0 "[ . 1 . 2]"
1 46 ALA 4.810 0.468 12 0 "[ . 1 . 2]"
1 47 GLY 1.913 0.112 18 0 "[ . 1 . 2]"
1 48 LYS 36.157 2.466 16 18 "[*- ************+** *]"
1 49 GLN 28.337 2.466 16 17 "[* ************+*- *]"
1 50 LEU 8.185 0.547 2 1 "[ + . 1 . 2]"
1 51 GLU 0.597 0.225 5 0 "[ . 1 . 2]"
1 52 ASP 1.164 0.242 13 0 "[ . 1 . 2]"
1 54 ARG 28.260 1.276 4 17 "[** +**********.-***2]"
1 55 THR 16.855 0.721 3 14 "[**+ -****1 * ** ***2]"
1 56 LEU 4.631 0.706 6 3 "[ .+ 1 .- *2]"
1 57 SER 2.693 0.256 1 0 "[ . 1 . 2]"
1 58 ASP 0.228 0.104 3 0 "[ . 1 . 2]"
1 59 TYR 12.888 0.721 3 14 "[**+ -****1 * ** ***2]"
1 60 ASN 8.804 0.466 6 0 "[ . 1 . 2]"
1 61 ILE 18.706 0.773 16 6 "[ *. -** * .+ 2]"
1 62 GLN 0.632 0.345 12 0 "[ . 1 . 2]"
1 63 LYS 14.378 0.903 2 6 "[ + .** *1 *. - 2]"
1 64 GLU 22.208 1.010 20 20 [*-*****************+]
1 65 SER 2.293 0.239 8 0 "[ . 1 . 2]"
1 66 THR 7.111 1.029 16 5 "[ * . 1** *+ 2]"
1 67 LEU 2.786 0.468 12 0 "[ . 1 . 2]"
1 68 HIS 8.560 0.753 12 2 "[ . -1 + . 2]"
1 69 LEU 3.661 0.431 17 0 "[ . 1 . 2]"
1 70 VAL 15.936 0.889 17 9 "[ *. ***** .-+* 2]"
1 71 LEU 17.400 0.976 18 6 "[ - .* *1 ** + 2]"
1 72 ARG 14.009 1.126 11 8 "[ * .* 1+ -*.*** 2]"
1 73 LEU 17.754 1.126 11 10 "[ * .* *1+ -***** 2]"
1 74 ARG 8.414 0.679 17 3 "[ - . 1 * . + 2]"
1 75 GLY 8.182 0.679 17 3 "[ - . 1 * . + 2]"
1 76 GLY 0.043 0.043 10 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 28 ALA HA 1 31 GLN QB . . 4.030 3.430 3.110 3.576 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 63 LYS HB2 . . 4.390 2.960 2.440 3.920 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 17 VAL QG . . 4.580 3.877 3.410 4.545 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 63 LYS HB2 . . 3.760 3.857 3.125 4.663 0.903 2 4 "[ + .*- 1 *. 2]" 1
5 1 1 MET QG 1 63 LYS HB2 . . 3.720 2.541 2.163 2.923 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QG 1 18 GLU HA . . 4.900 3.661 3.022 4.283 . 0 0 "[ . 1 . 2]" 1
7 1 72 ARG H 1 72 ARG HB3 . . 4.000 3.227 2.833 3.632 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN QG 1 14 THR MG . . 4.400 3.645 2.216 4.588 0.188 4 0 "[ . 1 . 2]" 1
9 1 3 ILE HA 1 64 GLU HA . . 4.120 2.703 2.459 2.898 . 0 0 "[ . 1 . 2]" 1
10 1 3 ILE HB 1 3 ILE MD . . 3.430 2.378 2.281 2.441 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE MG 1 56 LEU QD . . 3.390 2.451 2.198 2.913 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE MG 1 61 ILE HB . . 4.420 4.810 4.456 5.193 0.773 16 6 "[ *. -** * .+ 2]" 1
13 1 3 ILE MD 1 17 VAL QG . . 2.740 2.094 1.983 2.833 0.093 2 0 "[ . 1 . 2]" 1
14 1 3 ILE MD 1 67 LEU HB2 . . 4.450 3.938 3.549 4.601 0.151 4 0 "[ . 1 . 2]" 1
15 1 3 ILE MD 1 14 THR HA . . 4.690 5.881 3.734 6.279 1.589 19 19 "[* ************-***+*]" 1
16 1 4 PHE HA 1 14 THR HA . . 3.970 2.585 2.363 2.791 . 0 0 "[ . 1 . 2]" 1
17 1 4 PHE HA 1 4 PHE HD1 . . 4.190 2.839 2.461 3.164 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL MG1 1 69 LEU HG . . 5.490 2.240 2.022 2.588 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL HA 1 5 VAL MG1 . . 3.660 2.282 2.208 2.366 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL MG1 1 68 HIS HA . . 4.660 3.484 3.224 3.713 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL MG1 1 69 LEU HA . . 5.170 4.328 4.133 4.546 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL MG1 1 69 LEU MD1 . . 3.400 2.118 1.960 2.713 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL MG1 1 69 LEU MD2 . . 3.400 2.903 2.183 3.712 0.312 2 0 "[ . 1 . 2]" 1
24 1 5 VAL MG2 1 30 ILE MG . . 3.310 2.460 2.160 2.716 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL MG2 1 69 LEU HG . . 5.500 4.510 4.224 4.927 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL MG2 1 67 LEU HB2 . . 3.830 2.325 2.118 2.934 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL HA 1 5 VAL MG2 . . 3.670 2.577 2.447 2.709 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL MG2 1 6 LYS H . . 4.510 4.245 4.130 4.401 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL MG2 1 67 LEU H . . 4.680 3.420 3.274 3.612 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS HB3 1 12 THR HA . . 5.500 5.490 5.263 5.636 0.136 5 0 "[ . 1 . 2]" 1
31 1 6 LYS H 1 6 LYS QG . . 4.750 4.067 3.944 4.175 . 0 0 "[ . 1 . 2]" 1
32 1 6 LYS HD2 1 12 THR HA . . 4.960 4.783 2.768 5.754 0.794 16 3 "[ . 1 * -.+ 2]" 1
33 1 6 LYS HD3 1 12 THR HA . . 4.960 3.409 2.414 4.445 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS QE 1 66 THR MG . . 4.100 3.712 3.041 4.609 0.509 16 1 "[ . 1 .+ 2]" 1
35 1 7 THR HA 1 7 THR MG . . 3.640 2.451 2.366 2.502 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU HA 1 8 LEU MD1 . . 4.200 4.096 4.034 4.135 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU HA 1 8 LEU MD2 . . 4.200 3.692 3.634 3.759 . 0 0 "[ . 1 . 2]" 1
38 1 70 VAL HA 1 71 LEU QD . . 5.130 3.256 2.910 4.003 . 0 0 "[ . 1 . 2]" 1
39 1 9 THR HA 1 9 THR MG . . 3.210 2.311 2.170 2.696 . 0 0 "[ . 1 . 2]" 1
40 1 40 GLN HA 1 71 LEU HB2 . . 3.630 2.840 2.292 3.364 . 0 0 "[ . 1 . 2]" 1
41 1 11 LYS H 1 11 LYS HB3 . . 3.850 3.437 3.084 3.659 . 0 0 "[ . 1 . 2]" 1
42 1 4 PHE HB2 1 12 THR MG . . 3.770 3.974 3.563 4.662 0.892 8 2 "[ - . + 1 . 2]" 1
43 1 4 PHE HB3 1 12 THR MG . . 3.770 2.642 2.266 3.254 . 0 0 "[ . 1 . 2]" 1
44 1 12 THR HA 1 12 THR MG . . 2.970 2.371 2.186 2.621 . 0 0 "[ . 1 . 2]" 1
45 1 4 PHE HD1 1 12 THR MG . . 3.560 2.884 2.591 3.667 0.107 18 0 "[ . 1 . 2]" 1
46 1 30 ILE HG12 1 30 ILE MG . . 3.320 2.386 2.282 2.454 . 0 0 "[ . 1 . 2]" 1
47 1 13 ILE MG 1 15 LEU HG . . 4.330 2.292 2.125 2.534 . 0 0 "[ . 1 . 2]" 1
48 1 13 ILE HA 1 13 ILE MG . . 3.300 2.373 2.315 2.528 . 0 0 "[ . 1 . 2]" 1
49 1 7 THR MG 1 13 ILE MD . . 3.560 2.326 2.064 3.265 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL HB 1 13 ILE MD . . 5.080 4.624 4.344 5.252 0.172 16 0 "[ . 1 . 2]" 1
51 1 11 LYS HB3 1 13 ILE MD . . 5.430 2.821 2.536 3.485 . 0 0 "[ . 1 . 2]" 1
52 1 13 ILE HB 1 13 ILE MD . . 3.540 3.282 3.265 3.302 . 0 0 "[ . 1 . 2]" 1
53 1 13 ILE MD 1 34 GLU HG2 . . 5.330 3.355 2.776 3.871 . 0 0 "[ . 1 . 2]" 1
54 1 13 ILE MD 1 34 GLU HG3 . . 5.330 4.456 3.915 4.775 . 0 0 "[ . 1 . 2]" 1
55 1 13 ILE MD 1 30 ILE HA . . 4.070 4.568 4.377 4.788 0.718 2 8 "[*+ *. - *1 * * * 2]" 1
56 1 13 ILE HA 1 13 ILE MD . . 4.340 2.384 2.209 2.495 . 0 0 "[ . 1 . 2]" 1
57 1 2 GLN HB2 1 14 THR MG . . 4.120 2.834 2.412 4.266 0.146 10 0 "[ . 1 . 2]" 1
58 1 4 PHE QE 1 14 THR MG . . 3.980 2.971 2.507 4.437 0.457 4 0 "[ . 1 . 2]" 1
59 1 14 THR H 1 14 THR MG . . 3.340 3.880 3.679 3.944 0.604 16 17 "[ ** ***********+*- *]" 1
60 1 15 LEU QD 1 29 LYS HB2 . . 4.340 2.183 2.000 2.304 . 0 0 "[ . 1 . 2]" 1
61 1 15 LEU QD 1 30 ILE HA . . 4.090 2.748 2.150 3.439 . 0 0 "[ . 1 . 2]" 1
62 1 15 LEU HA 1 15 LEU QD . . 3.350 2.155 2.017 2.249 . 0 0 "[ . 1 . 2]" 1
63 1 15 LEU QD 1 33 LYS HD2 . . 4.600 2.971 2.106 4.473 . 0 0 "[ . 1 . 2]" 1
64 1 15 LEU QD 1 33 LYS HD3 . . 4.600 3.746 2.308 4.571 . 0 0 "[ . 1 . 2]" 1
65 1 14 THR H 1 15 LEU QD . . 4.970 3.950 3.683 4.329 . 0 0 "[ . 1 . 2]" 1
66 1 15 LEU H 1 15 LEU QD . . 5.120 3.726 3.563 3.895 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU HB2 1 17 VAL QG . . 3.770 2.888 2.624 3.135 . 0 0 "[ . 1 . 2]" 1
68 1 15 LEU HB3 1 17 VAL QG . . 4.110 2.600 2.204 2.887 . 0 0 "[ . 1 . 2]" 1
69 1 3 ILE HB 1 17 VAL QG . . 5.480 3.981 3.743 4.495 . 0 0 "[ . 1 . 2]" 1
70 1 17 VAL HA 1 17 VAL QG . . 3.340 2.376 2.269 2.536 . 0 0 "[ . 1 . 2]" 1
71 1 17 VAL QG 1 18 GLU H . . 3.640 2.701 2.143 3.051 . 0 0 "[ . 1 . 2]" 1
72 1 17 VAL QG 1 56 LEU QD . . 3.060 1.942 1.790 2.115 . 0 0 "[ . 1 . 2]" 1
73 1 17 VAL QG 1 56 LEU HG . . 4.190 3.968 3.754 4.279 0.089 11 0 "[ . 1 . 2]" 1
74 1 1 MET QG 1 17 VAL QG . . 3.890 2.693 2.215 4.265 0.375 7 0 "[ . 1 . 2]" 1
75 1 16 GLU HA 1 17 VAL QG . . 4.500 3.368 3.256 3.637 . 0 0 "[ . 1 . 2]" 1
76 1 17 VAL QG 1 18 GLU HA . . 4.430 3.560 3.469 3.776 . 0 0 "[ . 1 . 2]" 1
77 1 18 GLU QB 1 19 PRO HA . . 5.120 4.813 4.650 4.879 . 0 0 "[ . 1 . 2]" 1
78 1 19 PRO HA 1 56 LEU HG . . 5.500 4.932 4.686 5.250 . 0 0 "[ . 1 . 2]" 1
79 1 19 PRO HA 1 56 LEU HB2 . . 4.080 2.446 2.095 3.055 . 0 0 "[ . 1 . 2]" 1
80 1 18 GLU HA 1 19 PRO HD2 . . 3.990 3.196 3.046 3.301 . 0 0 "[ . 1 . 2]" 1
81 1 18 GLU HA 1 19 PRO HD3 . . 3.990 2.172 2.113 2.245 . 0 0 "[ . 1 . 2]" 1
82 1 20 SER H 1 20 SER HB3 . . 4.190 3.605 2.763 3.733 . 0 0 "[ . 1 . 2]" 1
83 1 21 ASP QB 1 26 VAL MG2 . . 4.360 2.851 2.512 3.455 . 0 0 "[ . 1 . 2]" 1
84 1 18 GLU H 1 21 ASP QB . . 4.380 2.040 1.815 2.486 . 0 0 "[ . 1 . 2]" 1
85 1 22 THR MG 1 55 THR MG . . 2.990 2.097 2.012 2.264 . 0 0 "[ . 1 . 2]" 1
86 1 22 THR HA 1 22 THR MG . . 3.480 2.321 2.262 2.501 . 0 0 "[ . 1 . 2]" 1
87 1 21 ASP HA 1 22 THR MG . . 4.290 4.090 3.765 4.466 0.176 5 0 "[ . 1 . 2]" 1
88 1 22 THR MG 1 55 THR HA . . 4.350 3.526 3.216 3.819 . 0 0 "[ . 1 . 2]" 1
89 1 23 ILE HA 1 26 VAL HB . . 4.090 2.420 2.165 2.570 . 0 0 "[ . 1 . 2]" 1
90 1 54 ARG QG 1 59 TYR QE . . 5.220 4.031 2.942 4.370 . 0 0 "[ . 1 . 2]" 1
91 1 23 ILE MD 1 23 ILE MG . . 3.240 2.184 2.095 2.266 . 0 0 "[ . 1 . 2]" 1
92 1 23 ILE HA 1 23 ILE MG . . 3.660 2.509 2.397 2.602 . 0 0 "[ . 1 . 2]" 1
93 1 23 ILE MG 1 52 ASP HA . . 3.610 3.462 3.106 3.852 0.242 13 0 "[ . 1 . 2]" 1
94 1 23 ILE MG 1 51 GLU HA . . 3.810 2.594 2.221 2.921 . 0 0 "[ . 1 . 2]" 1
95 1 23 ILE MG 1 50 LEU HB3 . . 4.210 2.869 2.425 3.321 . 0 0 "[ . 1 . 2]" 1
96 1 23 ILE HA 1 23 ILE MD . . 3.310 2.134 2.090 2.182 . 0 0 "[ . 1 . 2]" 1
97 1 23 ILE MD 1 56 LEU HA . . 4.000 3.502 2.875 4.057 0.057 6 0 "[ . 1 . 2]" 1
98 1 23 ILE MD 1 59 TYR QE . . 4.350 3.162 2.649 3.585 . 0 0 "[ . 1 . 2]" 1
99 1 23 ILE MD 1 59 TYR QD . . 3.990 2.632 2.343 2.819 . 0 0 "[ . 1 . 2]" 1
100 1 23 ILE MD 1 50 LEU MD2 . . 4.370 3.411 2.981 4.269 . 0 0 "[ . 1 . 2]" 1
101 1 30 ILE HG13 1 31 GLN HA . . 4.040 3.781 3.590 3.960 . 0 0 "[ . 1 . 2]" 1
102 1 25 ASN HA 1 28 ALA MB . . 3.560 2.593 2.408 2.746 . 0 0 "[ . 1 . 2]" 1
103 1 26 VAL HA 1 26 VAL MG1 . . 3.580 2.411 2.281 2.488 . 0 0 "[ . 1 . 2]" 1
104 1 23 ILE HA 1 26 VAL MG1 . . 4.470 3.907 3.609 4.094 . 0 0 "[ . 1 . 2]" 1
105 1 17 VAL QG 1 26 VAL MG2 . . 3.120 2.096 1.958 2.263 . 0 0 "[ . 1 . 2]" 1
106 1 26 VAL HA 1 26 VAL MG2 . . 3.440 2.414 2.278 2.558 . 0 0 "[ . 1 . 2]" 1
107 1 23 ILE HA 1 26 VAL MG2 . . 3.920 2.908 2.489 3.380 . 0 0 "[ . 1 . 2]" 1
108 1 63 LYS H 1 63 LYS HD2 . . 4.680 4.800 4.656 4.941 0.261 1 0 "[ . 1 . 2]" 1
109 1 63 LYS H 1 63 LYS HD3 . . 4.680 4.046 3.838 4.390 . 0 0 "[ . 1 . 2]" 1
110 1 28 ALA MB 1 31 GLN QB . . 4.450 4.144 3.965 4.302 . 0 0 "[ . 1 . 2]" 1
111 1 28 ALA MB 1 31 GLN QG . . 3.840 4.010 3.847 4.862 1.022 2 1 "[ + . 1 . 2]" 1
112 1 27 LYS H 1 28 ALA MB . . 4.430 4.279 4.152 4.373 . 0 0 "[ . 1 . 2]" 1
113 1 29 LYS HA 1 29 LYS HG2 . . 4.110 2.556 2.331 2.831 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU QD 1 29 LYS HB3 . . 4.340 1.983 1.902 2.043 . 0 0 "[ . 1 . 2]" 1
115 1 13 ILE MG 1 33 LYS HB2 . . 4.280 2.799 2.360 3.668 . 0 0 "[ . 1 . 2]" 1
116 1 13 ILE MG 1 33 LYS HB3 . . 4.280 2.799 2.138 3.708 . 0 0 "[ . 1 . 2]" 1
117 1 30 ILE HA 1 30 ILE HG12 . . 4.230 3.755 3.707 3.787 . 0 0 "[ . 1 . 2]" 1
118 1 13 ILE MD 1 30 ILE HB . . 4.970 4.640 4.341 5.180 0.210 16 0 "[ . 1 . 2]" 1
119 1 33 LYS HB3 1 34 GLU H . . 4.530 4.005 3.236 4.426 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU QD 1 30 ILE HG13 . . 4.980 4.845 4.595 5.501 0.521 16 1 "[ . 1 .+ 2]" 1
121 1 30 ILE HA 1 30 ILE MG . . 3.580 2.257 2.211 2.348 . 0 0 "[ . 1 . 2]" 1
122 1 13 ILE MG 1 14 THR HA . . 4.110 3.863 3.725 3.982 . 0 0 "[ . 1 . 2]" 1
123 1 27 LYS HA 1 30 ILE MD . . 3.660 2.452 2.243 2.759 . 0 0 "[ . 1 . 2]" 1
124 1 40 GLN HG2 1 71 LEU QD . . 5.500 4.064 2.558 4.434 . 0 0 "[ . 1 . 2]" 1
125 1 23 ILE HB 1 52 ASP HA . . 3.980 2.311 2.074 2.552 . 0 0 "[ . 1 . 2]" 1
126 1 29 LYS HA 1 32 ASP HB2 . . 4.540 3.995 3.109 4.261 . 0 0 "[ . 1 . 2]" 1
127 1 29 LYS HA 1 32 ASP HB3 . . 4.540 2.840 2.617 3.024 . 0 0 "[ . 1 . 2]" 1
128 1 33 LYS H 1 33 LYS HB3 . . 4.070 3.542 2.612 3.864 . 0 0 "[ . 1 . 2]" 1
129 1 17 VAL QG 1 29 LYS HE3 . . 4.380 2.644 1.941 3.434 . 0 0 "[ . 1 . 2]" 1
130 1 36 ILE HA 1 37 PRO HD3 . . 3.740 2.183 2.003 2.527 . 0 0 "[ . 1 . 2]" 1
131 1 36 ILE HA 1 37 PRO HD2 . . 3.740 2.474 2.079 2.719 . 0 0 "[ . 1 . 2]" 1
132 1 36 ILE MG 1 37 PRO HD3 . . 4.620 3.900 3.689 4.277 . 0 0 "[ . 1 . 2]" 1
133 1 36 ILE HA 1 36 ILE MG . . 3.580 2.144 2.095 2.192 . 0 0 "[ . 1 . 2]" 1
134 1 7 THR MG 1 36 ILE MD . . 3.990 2.716 2.178 3.416 . 0 0 "[ . 1 . 2]" 1
135 1 34 GLU HB2 1 36 ILE MD . . 5.500 3.913 3.623 4.188 . 0 0 "[ . 1 . 2]" 1
136 1 34 GLU HB3 1 36 ILE MD . . 5.500 2.769 2.534 2.978 . 0 0 "[ . 1 . 2]" 1
137 1 31 GLN QG 1 36 ILE MD . . 3.770 3.729 3.067 4.551 0.781 5 2 "[ + 1 .- 2]" 1
138 1 36 ILE HA 1 36 ILE MD . . 4.270 4.215 4.195 4.236 . 0 0 "[ . 1 . 2]" 1
139 1 36 ILE MG 1 37 PRO HD2 . . 4.620 3.770 3.443 4.045 . 0 0 "[ . 1 . 2]" 1
140 1 52 ASP H 1 52 ASP HB3 . . 3.720 2.552 2.214 2.880 . 0 0 "[ . 1 . 2]" 1
141 1 40 GLN HG3 1 71 LEU QD . . 5.500 3.066 2.588 3.481 . 0 0 "[ . 1 . 2]" 1
142 1 43 LEU HA 1 43 LEU MD1 . . 3.930 2.179 2.125 2.251 . 0 0 "[ . 1 . 2]" 1
143 1 43 LEU HB2 1 43 LEU MD2 . . 3.660 2.390 2.341 2.437 . 0 0 "[ . 1 . 2]" 1
144 1 43 LEU HA 1 43 LEU MD2 . . 3.930 3.809 2.193 3.916 . 0 0 "[ . 1 . 2]" 1
145 1 43 LEU MD2 1 44 ILE H . . 4.830 4.381 3.936 4.521 . 0 0 "[ . 1 . 2]" 1
146 1 44 ILE MG 1 70 VAL MG2 . . 3.850 3.716 3.550 3.901 0.051 8 0 "[ . 1 . 2]" 1
147 1 44 ILE MG 1 68 HIS HB2 . . 4.420 3.640 3.225 4.317 . 0 0 "[ . 1 . 2]" 1
148 1 44 ILE MG 1 47 GLY HA3 . . 4.210 3.701 3.591 3.888 . 0 0 "[ . 1 . 2]" 1
149 1 44 ILE MG 1 47 GLY HA2 . . 4.210 2.439 2.307 2.646 . 0 0 "[ . 1 . 2]" 1
150 1 44 ILE MG 1 49 GLN HA . . 3.980 2.639 2.285 3.298 . 0 0 "[ . 1 . 2]" 1
151 1 44 ILE HA 1 44 ILE MG . . 3.670 2.388 2.339 2.442 . 0 0 "[ . 1 . 2]" 1
152 1 44 ILE MG 1 45 PHE HA . . 4.170 3.783 3.548 4.025 . 0 0 "[ . 1 . 2]" 1
153 1 42 ARG QD 1 44 ILE MD . . 4.070 2.652 2.184 3.507 . 0 0 "[ . 1 . 2]" 1
154 1 44 ILE MD 1 49 GLN HA . . 3.380 2.059 1.950 2.200 . 0 0 "[ . 1 . 2]" 1
155 1 44 ILE HA 1 44 ILE MD . . 3.750 2.517 2.371 2.606 . 0 0 "[ . 1 . 2]" 1
156 1 45 PHE HB3 1 50 LEU MD1 . . 4.130 2.450 2.287 2.724 . 0 0 "[ . 1 . 2]" 1
157 1 45 PHE QD 1 46 ALA MB . . 4.060 3.434 3.064 3.751 . 0 0 "[ . 1 . 2]" 1
158 1 45 PHE QE 1 46 ALA MB . . 4.160 3.473 2.990 3.951 . 0 0 "[ . 1 . 2]" 1
159 1 48 LYS HB2 1 49 GLN H . . 4.590 4.292 4.136 4.559 . 0 0 "[ . 1 . 2]" 1
160 1 48 LYS H 1 48 LYS HB3 . . 3.960 2.531 2.329 3.286 . 0 0 "[ . 1 . 2]" 1
161 1 48 LYS HB3 1 49 GLN H . . 4.430 4.171 3.513 4.430 . 0 0 "[ . 1 . 2]" 1
162 1 30 ILE HG13 1 31 GLN QG . . 3.560 2.512 2.364 2.705 . 0 0 "[ . 1 . 2]" 1
163 1 44 ILE MD 1 49 GLN HG3 . . 4.640 2.209 2.075 2.540 . 0 0 "[ . 1 . 2]" 1
164 1 49 GLN H 1 49 GLN HG3 . . 4.370 3.191 2.799 4.138 . 0 0 "[ . 1 . 2]" 1
165 1 43 LEU HB3 1 50 LEU MD1 . . 4.000 3.058 2.163 3.833 . 0 0 "[ . 1 . 2]" 1
166 1 50 LEU MD1 1 67 LEU HG . . 5.220 3.540 2.967 3.907 . 0 0 "[ . 1 . 2]" 1
167 1 45 PHE HB2 1 50 LEU MD1 . . 4.040 2.195 2.093 2.327 . 0 0 "[ . 1 . 2]" 1
168 1 50 LEU HA 1 50 LEU MD1 . . 4.630 3.941 3.871 4.040 . 0 0 "[ . 1 . 2]" 1
169 1 45 PHE QD 1 50 LEU MD1 . . 4.630 3.789 3.083 4.035 . 0 0 "[ . 1 . 2]" 1
170 1 44 ILE HA 1 50 LEU MD1 . . 4.690 3.575 3.260 3.884 . 0 0 "[ . 1 . 2]" 1
171 1 45 PHE HA 1 50 LEU MD1 . . 4.820 4.021 3.764 4.261 . 0 0 "[ . 1 . 2]" 1
172 1 50 LEU HB3 1 50 LEU MD2 . . 3.640 2.479 2.413 2.576 . 0 0 "[ . 1 . 2]" 1
173 1 48 LYS HB3 1 50 LEU MD2 . . 4.560 2.997 2.594 3.335 . 0 0 "[ . 1 . 2]" 1
174 1 45 PHE HB3 1 50 LEU MD2 . . 3.690 2.357 2.118 2.830 . 0 0 "[ . 1 . 2]" 1
175 1 45 PHE HB2 1 50 LEU MD2 . . 3.970 3.465 3.188 3.760 . 0 0 "[ . 1 . 2]" 1
176 1 50 LEU HA 1 50 LEU MD2 . . 3.360 2.388 2.216 2.526 . 0 0 "[ . 1 . 2]" 1
177 1 50 LEU MD2 1 59 TYR QE . . 4.350 2.958 2.623 3.119 . 0 0 "[ . 1 . 2]" 1
178 1 50 LEU MD2 1 59 TYR QD . . 3.900 2.662 2.492 2.866 . 0 0 "[ . 1 . 2]" 1
179 1 45 PHE HA 1 50 LEU MD2 . . 5.010 4.771 4.327 5.340 0.330 12 0 "[ . 1 . 2]" 1
180 1 51 GLU QG 1 52 ASP HA . . 4.900 4.665 4.364 5.125 0.225 5 0 "[ . 1 . 2]" 1
181 1 54 ARG HA 1 54 ARG QD . . 4.240 3.726 2.207 3.921 . 0 0 "[ . 1 . 2]" 1
182 1 54 ARG QD 1 59 TYR QE . . 5.060 3.307 2.763 4.739 . 0 0 "[ . 1 . 2]" 1
183 1 22 THR HA 1 55 THR HA . . 3.730 2.112 2.014 2.242 . 0 0 "[ . 1 . 2]" 1
184 1 55 THR HA 1 55 THR MG . . 3.540 2.445 2.378 2.524 . 0 0 "[ . 1 . 2]" 1
185 1 20 SER HA 1 55 THR MG . . 3.910 2.796 2.364 3.412 . 0 0 "[ . 1 . 2]" 1
186 1 22 THR HA 1 55 THR MG . . 3.970 2.390 2.206 2.847 . 0 0 "[ . 1 . 2]" 1
187 1 26 VAL MG2 1 56 LEU QD . . 3.580 2.095 1.965 2.472 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL HB 1 56 LEU QD . . 3.760 2.720 2.222 3.375 . 0 0 "[ . 1 . 2]" 1
189 1 19 PRO HA 1 56 LEU QD . . 4.320 3.042 2.801 3.409 . 0 0 "[ . 1 . 2]" 1
190 1 56 LEU HA 1 56 LEU QD . . 3.360 2.764 2.434 2.913 . 0 0 "[ . 1 . 2]" 1
191 1 19 PRO QB 1 57 SER HB2 . . 4.350 2.847 2.231 4.237 . 0 0 "[ . 1 . 2]" 1
192 1 19 PRO QB 1 57 SER HB3 . . 4.850 4.121 3.750 4.603 . 0 0 "[ . 1 . 2]" 1
193 1 58 ASP HB2 1 59 TYR HA . . 4.620 4.403 4.177 4.617 . 0 0 "[ . 1 . 2]" 1
194 1 55 THR H 1 58 ASP HB3 . . 4.430 3.901 3.692 4.180 . 0 0 "[ . 1 . 2]" 1
195 1 59 TYR HA 1 59 TYR QD . . 3.520 2.527 2.356 2.683 . 0 0 "[ . 1 . 2]" 1
196 1 56 LEU QD 1 61 ILE MG . . 2.980 2.268 2.091 2.711 . 0 0 "[ . 1 . 2]" 1
197 1 56 LEU HG 1 61 ILE MG . . 4.010 2.671 2.414 3.088 . 0 0 "[ . 1 . 2]" 1
198 1 61 ILE HA 1 61 ILE MG . . 3.660 2.481 2.270 2.539 . 0 0 "[ . 1 . 2]" 1
199 1 61 ILE MG 1 65 SER HB2 . . 3.830 2.948 2.332 3.228 . 0 0 "[ . 1 . 2]" 1
200 1 61 ILE MG 1 65 SER HB3 . . 4.100 3.135 2.762 3.462 . 0 0 "[ . 1 . 2]" 1
201 1 50 LEU MD2 1 61 ILE MD . . 3.800 2.611 2.124 3.094 . 0 0 "[ . 1 . 2]" 1
202 1 59 TYR HB3 1 61 ILE MD . . 3.940 2.685 2.405 2.949 . 0 0 "[ . 1 . 2]" 1
203 1 45 PHE HB3 1 61 ILE MD . . 4.320 3.343 2.969 3.918 . 0 0 "[ . 1 . 2]" 1
204 1 45 PHE HB2 1 61 ILE MD . . 4.270 3.182 2.744 3.892 . 0 0 "[ . 1 . 2]" 1
205 1 59 TYR HB2 1 61 ILE MD . . 4.170 2.349 2.196 2.556 . 0 0 "[ . 1 . 2]" 1
206 1 56 LEU HA 1 61 ILE MD . . 3.780 2.252 2.119 2.778 . 0 0 "[ . 1 . 2]" 1
207 1 45 PHE QD 1 61 ILE MD . . 3.820 3.456 3.150 3.824 0.004 10 0 "[ . 1 . 2]" 1
208 1 62 GLN HB2 1 63 LYS H . . 4.080 3.351 3.101 3.537 . 0 0 "[ . 1 . 2]" 1
209 1 62 GLN HA 1 62 GLN HG2 . . 4.190 3.312 3.097 3.438 . 0 0 "[ . 1 . 2]" 1
210 1 62 GLN HA 1 62 GLN HG3 . . 4.190 3.748 3.687 3.845 . 0 0 "[ . 1 . 2]" 1
211 1 56 LEU QD 1 63 LYS HA . . 4.760 4.359 3.951 4.742 . 0 0 "[ . 1 . 2]" 1
212 1 29 LYS HE2 1 29 LYS HG2 . . 4.140 3.148 2.571 3.590 . 0 0 "[ . 1 . 2]" 1
213 1 4 PHE QE 1 64 GLU HA . . 4.100 3.370 2.838 4.600 0.500 19 0 "[ . 1 . 2]" 1
214 1 4 PHE QE 1 64 GLU HB3 . . 4.300 2.876 2.232 3.671 . 0 0 "[ . 1 . 2]" 1
215 1 4 PHE QE 1 64 GLU HB2 . . 4.850 4.554 3.933 5.349 0.499 19 0 "[ . 1 . 2]" 1
216 1 4 PHE QE 1 64 GLU HG2 . . 4.980 3.941 3.220 4.959 . 0 0 "[ . 1 . 2]" 1
217 1 4 PHE QE 1 64 GLU HG3 . . 4.980 3.384 2.421 4.663 . 0 0 "[ . 1 . 2]" 1
218 1 45 PHE QE 1 65 SER HB3 . . 4.530 3.097 2.421 3.608 . 0 0 "[ . 1 . 2]" 1
219 1 6 LYS HB2 1 66 THR MG . . 3.790 3.126 2.839 3.621 . 0 0 "[ . 1 . 2]" 1
220 1 66 THR HA 1 66 THR MG . . 3.480 2.321 2.161 2.452 . 0 0 "[ . 1 . 2]" 1
221 1 4 PHE HD2 1 66 THR MG . . 5.110 4.091 3.364 4.640 . 0 0 "[ . 1 . 2]" 1
222 1 67 LEU HA 1 67 LEU MD1 . . 4.060 3.174 2.901 3.345 . 0 0 "[ . 1 . 2]" 1
223 1 45 PHE HB2 1 67 LEU MD1 . . 4.570 3.669 3.416 3.880 . 0 0 "[ . 1 . 2]" 1
224 1 45 PHE QD 1 67 LEU MD1 . . 4.120 3.016 2.710 3.506 . 0 0 "[ . 1 . 2]" 1
225 1 43 LEU HB2 1 43 LEU MD1 . . 3.660 2.419 2.341 3.235 . 0 0 "[ . 1 . 2]" 1
226 1 45 PHE HB2 1 67 LEU MD2 . . 4.570 2.562 2.075 3.036 . 0 0 "[ . 1 . 2]" 1
227 1 67 LEU HA 1 67 LEU MD2 . . 4.060 3.677 3.515 3.781 . 0 0 "[ . 1 . 2]" 1
228 1 45 PHE QD 1 67 LEU MD2 . . 4.120 3.771 3.546 4.123 0.003 12 0 "[ . 1 . 2]" 1
229 1 67 LEU H 1 67 LEU MD2 . . 4.920 4.126 3.972 4.329 . 0 0 "[ . 1 . 2]" 1
230 1 70 VAL HA 1 70 VAL MG1 . . 3.390 2.496 2.439 2.594 . 0 0 "[ . 1 . 2]" 1
231 1 70 VAL MG1 1 71 LEU H . . 3.880 3.795 3.692 3.915 0.035 12 0 "[ . 1 . 2]" 1
232 1 68 HIS HB3 1 70 VAL MG1 . . 4.120 2.777 2.371 3.181 . 0 0 "[ . 1 . 2]" 1
233 1 44 ILE MD 1 70 VAL MG2 . . 3.160 2.130 2.008 2.413 . 0 0 "[ . 1 . 2]" 1
234 1 44 ILE HG12 1 70 VAL MG2 . . 4.280 2.405 2.265 2.554 . 0 0 "[ . 1 . 2]" 1
235 1 44 ILE HG13 1 70 VAL MG2 . . 4.280 2.244 2.107 2.376 . 0 0 "[ . 1 . 2]" 1
236 1 42 ARG HG2 1 70 VAL MG2 . . 4.710 3.730 2.806 4.408 . 0 0 "[ . 1 . 2]" 1
237 1 42 ARG HG3 1 70 VAL MG2 . . 4.710 4.928 4.104 5.599 0.889 17 4 "[ . ** .-+ 2]" 1
238 1 68 HIS HB3 1 70 VAL MG2 . . 4.650 4.669 4.192 5.403 0.753 12 2 "[ . -1 + . 2]" 1
239 1 70 VAL MG2 1 71 LEU H . . 4.050 3.194 2.925 3.388 . 0 0 "[ . 1 . 2]" 1
240 1 71 LEU HB2 1 71 LEU QD . . 3.110 2.168 2.120 2.257 . 0 0 "[ . 1 . 2]" 1
241 1 71 LEU HB3 1 71 LEU HG . . 2.960 2.959 2.675 3.068 0.108 18 0 "[ . 1 . 2]" 1
242 1 40 GLN HA 1 71 LEU QD . . 3.690 3.608 3.247 4.274 0.584 2 1 "[ + . 1 . 2]" 1
243 1 72 ARG HB2 1 72 ARG HD2 . . 4.060 2.576 2.120 3.679 . 0 0 "[ . 1 . 2]" 1
244 1 72 ARG HB2 1 72 ARG HD3 . . 4.060 2.845 2.526 3.835 . 0 0 "[ . 1 . 2]" 1
245 1 71 LEU QD 1 73 LEU HB2 . . 3.320 2.683 2.142 3.754 0.434 18 0 "[ . 1 . 2]" 1
246 1 73 LEU HB2 1 73 LEU MD1 . . 3.550 2.279 2.230 2.353 . 0 0 "[ . 1 . 2]" 1
247 1 71 LEU H 1 71 LEU QD . . 3.840 2.612 1.944 3.213 . 0 0 "[ . 1 . 2]" 1
248 1 73 LEU HB2 1 73 LEU MD2 . . 3.550 3.247 3.215 3.289 . 0 0 "[ . 1 . 2]" 1
249 1 1 MET QB 1 56 LEU QD . . 5.500 4.720 4.354 5.043 . 0 0 "[ . 1 . 2]" 1
250 1 1 MET QG 1 17 VAL H . . 5.500 3.374 3.016 4.960 . 0 0 "[ . 1 . 2]" 1
251 1 3 ILE HA 1 3 ILE MD . . 3.810 4.189 3.780 4.234 0.424 17 0 "[ . 1 . 2]" 1
252 1 5 VAL HB 1 30 ILE MG . . 4.560 2.954 2.718 3.281 . 0 0 "[ . 1 . 2]" 1
253 1 5 VAL MG1 1 7 THR HA . . 4.630 3.761 3.362 4.166 . 0 0 "[ . 1 . 2]" 1
254 1 5 VAL MG1 1 67 LEU HB2 . . 4.690 2.533 2.270 3.067 . 0 0 "[ . 1 . 2]" 1
255 1 5 VAL MG2 1 66 THR HA . . 5.500 4.664 4.473 4.902 . 0 0 "[ . 1 . 2]" 1
256 1 6 LYS HA 1 7 THR MG . . 4.380 3.785 3.587 4.060 . 0 0 "[ . 1 . 2]" 1
257 1 8 LEU H 1 8 LEU MD2 . . 4.400 2.089 1.888 2.340 . 0 0 "[ . 1 . 2]" 1
258 1 9 THR HB 1 10 GLY H . . 4.730 4.151 4.005 4.482 . 0 0 "[ . 1 . 2]" 1
259 1 8 LEU MD2 1 9 THR MG . . 4.990 2.205 1.995 2.465 . 0 0 "[ . 1 . 2]" 1
260 1 8 LEU MD1 1 9 THR MG . . 4.990 3.783 3.408 4.150 . 0 0 "[ . 1 . 2]" 1
261 1 9 THR MG 1 11 LYS HB2 . . 5.500 5.001 3.911 5.769 0.269 6 0 "[ . 1 . 2]" 1
262 1 11 LYS HB3 1 12 THR HA . . 4.360 4.304 4.149 4.450 0.090 9 0 "[ . 1 . 2]" 1
263 1 11 LYS HB2 1 12 THR HA . . 5.290 5.042 4.469 5.610 0.320 8 0 "[ . 1 . 2]" 1
264 1 7 THR H 1 11 LYS HB2 . . 4.580 3.878 3.245 4.375 . 0 0 "[ . 1 . 2]" 1
265 1 11 LYS HB2 1 12 THR H . . 4.850 3.920 3.527 4.267 . 0 0 "[ . 1 . 2]" 1
266 1 6 LYS QG 1 7 THR H . . 3.860 3.270 2.790 3.876 0.016 12 0 "[ . 1 . 2]" 1
267 1 4 PHE HA 1 12 THR MG . . 4.240 3.988 3.662 4.599 0.359 8 0 "[ . 1 . 2]" 1
268 1 13 ILE MG 1 33 LYS QE . . 4.170 3.884 3.479 4.701 0.531 4 1 "[ +. 1 . 2]" 1
269 1 7 THR MG 1 13 ILE MG . . 4.370 4.160 3.861 4.472 0.102 16 0 "[ . 1 . 2]" 1
270 1 13 ILE MD 1 13 ILE MG . . 2.760 2.151 2.105 2.177 . 0 0 "[ . 1 . 2]" 1
271 1 12 THR HA 1 13 ILE MD . . 5.360 4.028 3.739 4.447 . 0 0 "[ . 1 . 2]" 1
272 1 13 ILE MD 1 14 THR H . . 5.070 4.078 3.840 4.211 . 0 0 "[ . 1 . 2]" 1
273 1 4 PHE HA 1 14 THR HB . . 4.810 5.483 5.229 5.690 0.880 19 18 "[* *****-******.***+*]" 1
274 1 14 THR MG 1 15 LEU QD . . 4.390 4.617 4.382 4.696 0.306 20 0 "[ . 1 . 2]" 1
275 1 13 ILE MG 1 14 THR MG . . 4.220 4.847 4.591 5.000 0.780 17 19 "[-** ************+***]" 1
276 1 2 GLN HB3 1 14 THR MG . . 5.180 3.846 3.574 4.323 . 0 0 "[ . 1 . 2]" 1
277 1 2 GLN QE 1 14 THR MG . . 3.610 2.428 1.943 5.010 1.400 4 1 "[ +. 1 . 2]" 1
278 1 14 THR MG 1 16 GLU H . . 5.500 4.998 4.580 5.189 . 0 0 "[ . 1 . 2]" 1
279 1 3 ILE MD 1 15 LEU HB2 . . 4.250 3.314 2.282 3.664 . 0 0 "[ . 1 . 2]" 1
280 1 15 LEU QD 1 30 ILE MG . . 3.650 2.020 1.899 2.594 . 0 0 "[ . 1 . 2]" 1
281 1 15 LEU QD 1 26 VAL HA . . 5.140 3.191 2.770 3.594 . 0 0 "[ . 1 . 2]" 1
282 1 15 LEU QD 1 16 GLU H . . 3.400 3.240 2.874 3.418 0.018 5 0 "[ . 1 . 2]" 1
283 1 15 LEU QD 1 32 ASP H . . 5.500 4.704 4.202 5.096 . 0 0 "[ . 1 . 2]" 1
284 1 14 THR HA 1 15 LEU QD . . 5.500 4.528 4.303 4.801 . 0 0 "[ . 1 . 2]" 1
285 1 15 LEU QD 1 29 LYS HG2 . . 4.940 3.507 3.204 3.676 . 0 0 "[ . 1 . 2]" 1
286 1 15 LEU QD 1 30 ILE H . . 4.050 2.952 2.635 3.409 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU HA 1 16 GLU HB3 . . 5.240 4.467 4.344 4.657 . 0 0 "[ . 1 . 2]" 1
288 1 16 GLU H 1 16 GLU HG2 . . 4.600 4.355 4.221 4.475 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLU H 1 16 GLU HG3 . . 4.590 4.541 4.460 4.618 0.028 12 0 "[ . 1 . 2]" 1
290 1 17 VAL QG 1 26 VAL HA . . 4.640 3.327 2.971 3.652 . 0 0 "[ . 1 . 2]" 1
291 1 18 GLU QB 1 19 PRO QB . . 4.960 4.406 4.202 4.515 . 0 0 "[ . 1 . 2]" 1
292 1 18 GLU QB 1 19 PRO HG3 . . 4.690 4.714 4.532 4.826 0.136 8 0 "[ . 1 . 2]" 1
293 1 20 SER HA 1 55 THR HB . . 4.280 2.334 2.038 2.867 . 0 0 "[ . 1 . 2]" 1
294 1 20 SER HB2 1 55 THR MG . . 5.500 4.607 4.201 5.191 . 0 0 "[ . 1 . 2]" 1
295 1 20 SER HB3 1 55 THR MG . . 5.500 3.542 2.984 4.467 . 0 0 "[ . 1 . 2]" 1
296 1 22 THR MG 1 25 ASN H . . 4.920 4.501 4.136 4.818 . 0 0 "[ . 1 . 2]" 1
297 1 44 ILE HG12 1 68 HIS HB3 . . 5.430 4.316 3.853 5.358 . 0 0 "[ . 1 . 2]" 1
298 1 44 ILE HG13 1 68 HIS HB3 . . 5.430 4.102 3.541 5.300 . 0 0 "[ . 1 . 2]" 1
299 1 23 ILE MG 1 43 LEU HB2 . . 4.900 3.555 3.309 3.825 . 0 0 "[ . 1 . 2]" 1
300 1 23 ILE MG 1 27 LYS HE2 . . 5.500 3.616 2.676 4.531 . 0 0 "[ . 1 . 2]" 1
301 1 23 ILE MG 1 27 LYS HE3 . . 5.500 4.965 4.207 5.610 0.110 20 0 "[ . 1 . 2]" 1
302 1 23 ILE MG 1 59 TYR QE . . 4.920 4.011 3.611 4.174 . 0 0 "[ . 1 . 2]" 1
303 1 23 ILE MD 1 26 VAL MG2 . . 4.470 3.057 2.352 3.587 . 0 0 "[ . 1 . 2]" 1
304 1 23 ILE MD 1 54 ARG QG . . 5.430 6.165 5.381 6.706 1.276 4 16 "[** +***-******. ***2]" 1
305 1 23 ILE MD 1 26 VAL HB . . 4.970 3.203 2.876 3.519 . 0 0 "[ . 1 . 2]" 1
306 1 23 ILE MD 1 54 ARG HB3 . . 5.370 5.095 4.535 5.979 0.609 16 1 "[ . 1 .+ 2]" 1
307 1 23 ILE MD 1 51 GLU HA . . 5.500 5.085 4.374 5.614 0.114 9 0 "[ . 1 . 2]" 1
308 1 23 ILE MD 1 55 THR HA . . 4.850 4.015 3.540 4.732 . 0 0 "[ . 1 . 2]" 1
309 1 26 VAL HA 1 29 LYS HB3 . . 4.990 4.401 4.036 4.818 . 0 0 "[ . 1 . 2]" 1
310 1 26 VAL HA 1 29 LYS HB2 . . 4.990 2.812 2.466 3.164 . 0 0 "[ . 1 . 2]" 1
311 1 26 VAL MG1 1 27 LYS HA . . 4.510 3.663 3.448 3.864 . 0 0 "[ . 1 . 2]" 1
312 1 63 LYS HB3 1 63 LYS HD2 . . 4.210 3.018 2.811 3.329 . 0 0 "[ . 1 . 2]" 1
313 1 63 LYS HB3 1 63 LYS HD3 . . 4.210 2.488 2.344 2.622 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU QD 1 29 LYS HA . . 4.690 3.641 3.326 3.760 . 0 0 "[ . 1 . 2]" 1
315 1 29 LYS H 1 29 LYS HG2 . . 4.680 3.561 3.361 3.743 . 0 0 "[ . 1 . 2]" 1
316 1 30 ILE HB 1 31 GLN QG . . 4.890 4.448 4.269 4.742 . 0 0 "[ . 1 . 2]" 1
317 1 27 LYS HA 1 30 ILE HB . . 5.500 5.102 4.920 5.277 . 0 0 "[ . 1 . 2]" 1
318 1 30 ILE HB 1 31 GLN H . . 4.370 4.028 3.945 4.082 . 0 0 "[ . 1 . 2]" 1
319 1 30 ILE MG 1 31 GLN QG . . 5.120 4.808 4.665 4.998 . 0 0 "[ . 1 . 2]" 1
320 1 5 VAL HB 1 30 ILE MD . . 4.720 4.664 4.300 5.132 0.412 2 0 "[ . 1 . 2]" 1
321 1 31 GLN HA 1 36 ILE MD . . 4.560 3.795 3.393 4.419 . 0 0 "[ . 1 . 2]" 1
322 1 33 LYS H 1 33 LYS HG3 . . 5.070 3.308 2.472 4.576 . 0 0 "[ . 1 . 2]" 1
323 1 13 ILE MG 1 33 LYS HD2 . . 5.490 3.109 2.390 4.711 . 0 0 "[ . 1 . 2]" 1
324 1 13 ILE MG 1 33 LYS HD3 . . 5.490 3.467 2.214 4.737 . 0 0 "[ . 1 . 2]" 1
325 1 17 VAL HA 1 29 LYS HE3 . . 4.520 3.577 2.861 4.044 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLN QB 1 36 ILE MD . . 5.500 4.976 4.514 5.593 0.093 2 0 "[ . 1 . 2]" 1
327 1 34 GLU HG2 1 36 ILE MD . . 5.500 3.247 2.650 3.899 . 0 0 "[ . 1 . 2]" 1
328 1 34 GLU HG3 1 36 ILE MD . . 5.500 4.074 3.570 4.725 . 0 0 "[ . 1 . 2]" 1
329 1 7 THR HB 1 36 ILE MD . . 5.030 3.590 2.904 4.432 . 0 0 "[ . 1 . 2]" 1
330 1 34 GLU H 1 36 ILE MD . . 5.260 4.498 4.247 4.908 . 0 0 "[ . 1 . 2]" 1
331 1 35 GLY H 1 36 ILE MD . . 5.500 5.284 4.933 5.514 0.014 15 0 "[ . 1 . 2]" 1
332 1 8 LEU H 1 36 ILE MD . . 5.500 4.498 3.949 5.005 . 0 0 "[ . 1 . 2]" 1
333 1 31 GLN QE 1 38 PRO HA . . 4.550 3.163 2.057 5.066 0.516 2 1 "[ + . 1 . 2]" 1
334 1 31 GLN QB 1 38 PRO QD . . 5.090 4.337 3.770 5.001 . 0 0 "[ . 1 . 2]" 1
335 1 31 GLN QG 1 38 PRO QD . . 5.500 4.334 3.208 5.115 . 0 0 "[ . 1 . 2]" 1
336 1 42 ARG HB2 1 70 VAL MG2 . . 5.090 4.229 3.518 4.793 . 0 0 "[ . 1 . 2]" 1
337 1 42 ARG HB3 1 70 VAL MG2 . . 5.090 2.816 2.243 3.341 . 0 0 "[ . 1 . 2]" 1
338 1 71 LEU QD 1 72 ARG QG . . 5.500 5.028 4.562 5.629 0.129 16 0 "[ . 1 . 2]" 1
339 1 44 ILE HB 1 68 HIS HB2 . . 4.490 2.542 2.195 3.512 . 0 0 "[ . 1 . 2]" 1
340 1 44 ILE HB 1 68 HIS HB3 . . 4.600 3.362 2.382 4.011 . 0 0 "[ . 1 . 2]" 1
341 1 44 ILE HG12 1 68 HIS HB2 . . 5.500 4.363 3.759 5.437 . 0 0 "[ . 1 . 2]" 1
342 1 44 ILE HG13 1 68 HIS HB2 . . 5.500 4.143 3.645 5.164 . 0 0 "[ . 1 . 2]" 1
343 1 44 ILE MG 1 68 HIS HB3 . . 4.670 4.431 3.460 5.030 0.360 12 0 "[ . 1 . 2]" 1
344 1 42 ARG HB2 1 44 ILE MD . . 5.500 4.465 4.154 5.380 . 0 0 "[ . 1 . 2]" 1
345 1 42 ARG HB3 1 44 ILE MD . . 5.500 3.230 2.659 3.993 . 0 0 "[ . 1 . 2]" 1
346 1 44 ILE MD 1 49 GLN HB3 . . 4.920 2.970 2.348 3.639 . 0 0 "[ . 1 . 2]" 1
347 1 44 ILE MD 1 49 GLN HG2 . . 4.640 3.300 2.474 3.867 . 0 0 "[ . 1 . 2]" 1
348 1 44 ILE MD 1 49 GLN H . . 4.600 4.130 3.718 4.510 . 0 0 "[ . 1 . 2]" 1
349 1 44 ILE MD 1 70 VAL H . . 5.200 4.030 3.599 4.640 . 0 0 "[ . 1 . 2]" 1
350 1 45 PHE HB2 1 67 LEU HG . . 4.610 2.244 2.146 2.556 . 0 0 "[ . 1 . 2]" 1
351 1 45 PHE HA 1 46 ALA HA . . 4.610 4.396 4.348 4.456 . 0 0 "[ . 1 . 2]" 1
352 1 48 LYS HB2 1 50 LEU MD2 . . 4.790 4.358 3.860 4.679 . 0 0 "[ . 1 . 2]" 1
353 1 48 LYS QG 1 50 LEU MD2 . . 4.700 2.630 2.248 4.450 . 0 0 "[ . 1 . 2]" 1
354 1 44 ILE MD 1 49 GLN HB2 . . 4.920 4.031 3.654 4.462 . 0 0 "[ . 1 . 2]" 1
355 1 50 LEU HA 1 51 GLU HA . . 4.810 4.535 4.504 4.563 . 0 0 "[ . 1 . 2]" 1
356 1 44 ILE HA 1 50 LEU HG . . 4.760 2.429 2.171 2.915 . 0 0 "[ . 1 . 2]" 1
357 1 50 LEU MD1 1 61 ILE HG13 . . 5.090 4.167 3.904 4.405 . 0 0 "[ . 1 . 2]" 1
358 1 44 ILE MG 1 50 LEU MD2 . . 5.500 4.447 4.089 5.039 . 0 0 "[ . 1 . 2]" 1
359 1 44 ILE MD 1 50 LEU MD2 . . 5.500 4.858 4.538 5.244 . 0 0 "[ . 1 . 2]" 1
360 1 48 LYS HD2 1 50 LEU MD2 . . 5.460 4.122 3.409 4.941 . 0 0 "[ . 1 . 2]" 1
361 1 50 LEU MD2 1 59 TYR HB2 . . 4.920 3.350 3.092 3.664 . 0 0 "[ . 1 . 2]" 1
362 1 49 GLN HA 1 50 LEU MD2 . . 4.740 4.018 3.727 4.420 . 0 0 "[ . 1 . 2]" 1
363 1 51 GLU HB2 1 52 ASP HA . . 5.010 4.783 4.669 4.856 . 0 0 "[ . 1 . 2]" 1
364 1 54 ARG HB2 1 59 TYR QE . . 4.680 2.255 2.141 2.450 . 0 0 "[ . 1 . 2]" 1
365 1 54 ARG HB3 1 59 TYR QE . . 4.770 2.991 2.541 3.738 . 0 0 "[ . 1 . 2]" 1
366 1 54 ARG QD 1 55 THR H . . 4.680 4.147 2.948 4.638 . 0 0 "[ . 1 . 2]" 1
367 1 19 PRO HA 1 56 LEU HB3 . . 4.460 2.656 2.234 3.101 . 0 0 "[ . 1 . 2]" 1
368 1 56 LEU QD 1 61 ILE MD . . 3.350 3.077 2.895 3.306 . 0 0 "[ . 1 . 2]" 1
369 1 21 ASP QB 1 56 LEU QD . . 4.770 2.186 1.986 2.811 . 0 0 "[ . 1 . 2]" 1
370 1 59 TYR HB2 1 61 ILE HG12 . . 4.920 3.863 3.441 4.114 . 0 0 "[ . 1 . 2]" 1
371 1 56 LEU QD 1 61 ILE HB . . 4.340 2.619 2.336 2.842 . 0 0 "[ . 1 . 2]" 1
372 1 56 LEU HB3 1 61 ILE HB . . 4.620 2.743 2.359 3.315 . 0 0 "[ . 1 . 2]" 1
373 1 3 ILE HB 1 61 ILE MG . . 4.880 4.142 3.791 4.423 . 0 0 "[ . 1 . 2]" 1
374 1 61 ILE MG 1 67 LEU HG . . 5.420 3.883 3.667 4.206 . 0 0 "[ . 1 . 2]" 1
375 1 45 PHE QD 1 61 ILE MG . . 4.810 3.645 3.436 3.931 . 0 0 "[ . 1 . 2]" 1
376 1 45 PHE QE 1 61 ILE MG . . 4.790 3.523 3.009 3.903 . 0 0 "[ . 1 . 2]" 1
377 1 61 ILE MD 1 67 LEU HG . . 4.770 3.929 3.497 4.463 . 0 0 "[ . 1 . 2]" 1
378 1 61 ILE HA 1 61 ILE MD . . 4.630 3.901 3.868 3.940 . 0 0 "[ . 1 . 2]" 1
379 1 17 VAL QG 1 29 LYS HE2 . . 4.640 3.707 3.210 4.245 . 0 0 "[ . 1 . 2]" 1
380 1 3 ILE MD 1 64 GLU HA . . 5.500 6.310 6.001 6.510 1.010 20 20 [*-*****************+] 1
381 1 69 LEU H 1 69 LEU MD1 . . 4.960 4.000 3.783 4.241 . 0 0 "[ . 1 . 2]" 1
382 1 72 ARG H 1 73 LEU HB2 . . 4.480 4.419 3.936 5.187 0.707 2 2 "[ + . 1- . 2]" 1
383 1 74 ARG HA 1 74 ARG HD2 . . 5.500 2.184 2.010 2.671 . 0 0 "[ . 1 . 2]" 1
384 1 74 ARG HA 1 74 ARG HD3 . . 5.500 3.693 3.509 3.944 . 0 0 "[ . 1 . 2]" 1
385 1 67 LEU H 1 67 LEU MD1 . . 4.920 2.386 2.259 2.642 . 0 0 "[ . 1 . 2]" 1
386 1 2 GLN H 1 2 GLN HB2 . . 3.890 3.781 3.159 3.924 0.034 13 0 "[ . 1 . 2]" 1
387 1 2 GLN H 1 2 GLN HB3 . . 3.290 3.233 2.605 3.357 0.067 1 0 "[ . 1 . 2]" 1
388 1 1 MET QB 1 2 GLN H . . 3.380 3.925 3.799 4.005 0.625 2 16 "[*+* *****1** **- ***]" 1
389 1 2 GLN H 1 2 GLN QG . . 3.540 2.440 2.086 4.002 0.462 10 0 "[ . 1 . 2]" 1
390 1 1 MET HA 1 2 GLN H . . 2.880 2.220 2.087 2.287 . 0 0 "[ . 1 . 2]" 1
391 1 3 ILE H 1 17 VAL QG . . 4.170 3.431 3.140 4.029 . 0 0 "[ . 1 . 2]" 1
392 1 3 ILE H 1 3 ILE MD . . 3.660 4.115 3.206 4.279 0.619 7 11 "[ -***+ *1 ***. * *]" 1
393 1 3 ILE H 1 3 ILE MG . . 3.860 3.171 3.017 3.305 . 0 0 "[ . 1 . 2]" 1
394 1 2 GLN HB2 1 3 ILE H . . 3.910 2.697 2.443 4.237 0.327 10 0 "[ . 1 . 2]" 1
395 1 3 ILE H 1 3 ILE HB . . 3.840 3.914 3.867 3.959 0.119 5 0 "[ . 1 . 2]" 1
396 1 2 GLN QG 1 3 ILE H . . 5.160 3.759 2.513 4.120 . 0 0 "[ . 1 . 2]" 1
397 1 3 ILE H 1 16 GLU HA . . 4.300 3.887 3.767 3.996 . 0 0 "[ . 1 . 2]" 1
398 1 2 GLN HA 1 3 ILE H . . 2.940 2.353 2.279 2.429 . 0 0 "[ . 1 . 2]" 1
399 1 3 ILE H 1 15 LEU H . . 3.770 2.632 2.461 2.763 . 0 0 "[ . 1 . 2]" 1
400 1 3 ILE MD 1 4 PHE H . . 3.530 3.964 3.178 4.161 0.631 17 10 "[ -** * * * **+ *2]" 1
401 1 3 ILE HB 1 4 PHE H . . 3.160 2.345 2.296 2.439 . 0 0 "[ . 1 . 2]" 1
402 1 4 PHE H 1 4 PHE HB2 . . 4.090 2.619 2.541 2.698 . 0 0 "[ . 1 . 2]" 1
403 1 4 PHE H 1 4 PHE HB3 . . 4.090 3.744 3.700 3.787 . 0 0 "[ . 1 . 2]" 1
404 1 3 ILE HA 1 4 PHE H . . 3.160 2.490 2.435 2.554 . 0 0 "[ . 1 . 2]" 1
405 1 4 PHE H 1 66 THR HA . . 4.540 2.974 2.767 3.171 . 0 0 "[ . 1 . 2]" 1
406 1 4 PHE H 1 4 PHE HD2 . . 3.780 3.189 2.858 3.757 . 0 0 "[ . 1 . 2]" 1
407 1 5 VAL H 1 5 VAL MG1 . . 4.090 3.997 3.944 4.023 . 0 0 "[ . 1 . 2]" 1
408 1 5 VAL H 1 12 THR MG . . 3.640 3.350 2.793 3.940 0.300 8 0 "[ . 1 . 2]" 1
409 1 5 VAL H 1 5 VAL HB . . 3.550 2.964 2.835 3.097 . 0 0 "[ . 1 . 2]" 1
410 1 4 PHE HB2 1 5 VAL H . . 4.280 3.820 3.758 3.913 . 0 0 "[ . 1 . 2]" 1
411 1 5 VAL H 1 14 THR HA . . 3.940 4.100 3.805 4.363 0.423 11 0 "[ . 1 . 2]" 1
412 1 4 PHE HA 1 5 VAL H . . 3.030 2.321 2.272 2.365 . 0 0 "[ . 1 . 2]" 1
413 1 5 VAL H 1 13 ILE HB . . 4.480 2.867 2.602 3.165 . 0 0 "[ . 1 . 2]" 1
414 1 4 PHE HB3 1 5 VAL H . . 4.280 2.776 2.674 2.852 . 0 0 "[ . 1 . 2]" 1
415 1 4 PHE HD1 1 5 VAL H . . 4.210 4.058 3.857 4.409 0.199 1 0 "[ . 1 . 2]" 1
416 1 5 VAL H 1 14 THR H . . 4.980 4.919 4.729 5.024 0.044 3 0 "[ . 1 . 2]" 1
417 1 5 VAL MG1 1 6 LYS H . . 3.560 2.678 2.558 2.785 . 0 0 "[ . 1 . 2]" 1
418 1 6 LYS H 1 66 THR MG . . 4.290 3.564 3.285 3.970 . 0 0 "[ . 1 . 2]" 1
419 1 6 LYS H 1 6 LYS HB2 . . 3.480 2.792 2.467 2.919 . 0 0 "[ . 1 . 2]" 1
420 1 6 LYS H 1 6 LYS HB3 . . 3.740 2.530 2.307 2.907 . 0 0 "[ . 1 . 2]" 1
421 1 5 VAL HA 1 6 LYS H . . 3.060 2.171 2.042 2.242 . 0 0 "[ . 1 . 2]" 1
422 1 6 LYS H 1 68 HIS HA . . 3.560 2.793 2.551 3.023 . 0 0 "[ . 1 . 2]" 1
423 1 6 LYS H 1 69 LEU H . . 4.990 4.434 4.166 4.761 . 0 0 "[ . 1 . 2]" 1
424 1 7 THR H 1 7 THR MG . . 3.110 2.310 2.115 2.655 . 0 0 "[ . 1 . 2]" 1
425 1 6 LYS HD2 1 7 THR H . . 5.160 4.224 3.740 4.497 . 0 0 "[ . 1 . 2]" 1
426 1 6 LYS HD3 1 7 THR H . . 5.160 3.251 2.390 5.465 0.305 9 0 "[ . 1 . 2]" 1
427 1 6 LYS HB3 1 7 THR H . . 4.190 4.350 4.084 4.518 0.328 12 0 "[ . 1 . 2]" 1
428 1 7 THR H 1 12 THR HA . . 3.930 3.598 3.293 3.960 0.030 20 0 "[ . 1 . 2]" 1
429 1 6 LYS HA 1 7 THR H . . 2.870 2.243 2.173 2.276 . 0 0 "[ . 1 . 2]" 1
430 1 7 THR H 1 13 ILE H . . 4.660 4.637 4.372 4.968 0.308 16 0 "[ . 1 . 2]" 1
431 1 8 LEU H 1 8 LEU MD1 . . 4.400 3.829 3.553 4.058 . 0 0 "[ . 1 . 2]" 1
432 1 7 THR MG 1 8 LEU H . . 4.310 3.775 3.592 3.913 . 0 0 "[ . 1 . 2]" 1
433 1 8 LEU H 1 8 LEU HB3 . . 3.660 2.432 2.297 2.552 . 0 0 "[ . 1 . 2]" 1
434 1 8 LEU H 1 8 LEU HB2 . . 3.660 3.581 3.529 3.647 . 0 0 "[ . 1 . 2]" 1
435 1 7 THR HB 1 8 LEU H . . 3.480 2.440 2.245 2.636 . 0 0 "[ . 1 . 2]" 1
436 1 9 THR H 1 9 THR MG . . 3.070 2.712 2.167 2.978 . 0 0 "[ . 1 . 2]" 1
437 1 8 LEU HB3 1 9 THR H . . 4.100 4.301 4.157 4.473 0.373 1 0 "[ . 1 . 2]" 1
438 1 8 LEU HB2 1 9 THR H . . 4.100 4.413 4.302 4.516 0.416 18 0 "[ . 1 . 2]" 1
439 1 7 THR HB 1 9 THR H . . 3.940 2.674 2.453 2.871 . 0 0 "[ . 1 . 2]" 1
440 1 9 THR H 1 11 LYS H . . 4.830 3.420 3.290 3.561 . 0 0 "[ . 1 . 2]" 1
441 1 8 LEU H 1 9 THR H . . 3.670 2.742 2.599 2.860 . 0 0 "[ . 1 . 2]" 1
442 1 9 THR MG 1 10 GLY H . . 4.360 4.284 3.882 4.425 0.065 3 0 "[ . 1 . 2]" 1
443 1 10 GLY H 1 11 LYS HB2 . . 4.320 4.465 4.237 4.716 0.396 16 0 "[ . 1 . 2]" 1
444 1 7 THR H 1 10 GLY H . . 4.280 3.857 3.661 4.191 . 0 0 "[ . 1 . 2]" 1
445 1 6 LYS QG 1 11 LYS H . . 3.960 4.721 3.995 5.411 1.451 12 13 "[-** * 1*+*******2]" 1
446 1 11 LYS H 1 11 LYS HB2 . . 2.960 2.268 2.033 2.518 . 0 0 "[ . 1 . 2]" 1
447 1 10 GLY H 1 11 LYS H . . 3.200 2.395 2.303 2.458 . 0 0 "[ . 1 . 2]" 1
448 1 7 THR H 1 11 LYS H . . 3.870 3.342 3.131 3.575 . 0 0 "[ . 1 . 2]" 1
449 1 12 THR H 1 12 THR MG . . 4.220 3.844 3.693 3.936 . 0 0 "[ . 1 . 2]" 1
450 1 11 LYS HG2 1 12 THR H . . 5.030 4.351 3.784 4.990 . 0 0 "[ . 1 . 2]" 1
451 1 11 LYS HG3 1 12 THR H . . 5.030 4.755 4.347 5.027 . 0 0 "[ . 1 . 2]" 1
452 1 11 LYS HB3 1 12 THR H . . 3.580 2.707 2.351 3.169 . 0 0 "[ . 1 . 2]" 1
453 1 12 THR H 1 12 THR HB . . 3.160 2.625 2.328 3.053 . 0 0 "[ . 1 . 2]" 1
454 1 11 LYS HA 1 12 THR H . . 2.770 2.432 2.357 2.508 . 0 0 "[ . 1 . 2]" 1
455 1 11 LYS H 1 12 THR H . . 4.610 4.629 4.527 4.690 0.080 12 0 "[ . 1 . 2]" 1
456 1 13 ILE H 1 13 ILE MD . . 4.390 3.438 3.204 3.780 . 0 0 "[ . 1 . 2]" 1
457 1 13 ILE H 1 13 ILE MG . . 3.840 3.852 3.763 3.907 0.067 5 0 "[ . 1 . 2]" 1
458 1 12 THR MG 1 13 ILE H . . 3.540 2.687 2.396 2.913 . 0 0 "[ . 1 . 2]" 1
459 1 13 ILE H 1 13 ILE HG13 . . 3.750 3.896 3.759 4.118 0.368 16 0 "[ . 1 . 2]" 1
460 1 13 ILE H 1 13 ILE HG12 . . 3.750 2.518 2.316 2.881 . 0 0 "[ . 1 . 2]" 1
461 1 13 ILE H 1 13 ILE HB . . 3.870 2.597 2.443 2.719 . 0 0 "[ . 1 . 2]" 1
462 1 12 THR HB 1 13 ILE H . . 4.510 4.084 3.698 4.343 . 0 0 "[ . 1 . 2]" 1
463 1 12 THR HA 1 13 ILE H . . 3.140 2.167 2.120 2.238 . 0 0 "[ . 1 . 2]" 1
464 1 6 LYS HA 1 13 ILE H . . 4.040 3.772 3.586 3.984 . 0 0 "[ . 1 . 2]" 1
465 1 13 ILE MG 1 14 THR H . . 3.490 2.214 2.080 2.431 . 0 0 "[ . 1 . 2]" 1
466 1 13 ILE HB 1 14 THR H . . 3.890 3.689 3.521 3.961 0.071 16 0 "[ . 1 . 2]" 1
467 1 14 THR H 1 14 THR HB . . 3.280 2.696 2.482 2.817 . 0 0 "[ . 1 . 2]" 1
468 1 13 ILE HA 1 14 THR H . . 2.880 2.346 2.300 2.408 . 0 0 "[ . 1 . 2]" 1
469 1 4 PHE HD1 1 14 THR H . . 4.910 4.877 4.590 5.249 0.339 1 0 "[ . 1 . 2]" 1
470 1 14 THR H 1 33 LYS QE . . 5.500 4.299 3.641 5.025 . 0 0 "[ . 1 . 2]" 1
471 1 14 THR H 1 15 LEU HG . . 4.530 3.823 3.568 4.169 . 0 0 "[ . 1 . 2]" 1
472 1 15 LEU H 1 17 VAL QG . . 5.500 4.362 4.170 4.698 . 0 0 "[ . 1 . 2]" 1
473 1 14 THR MG 1 15 LEU H . . 4.000 2.830 2.653 3.082 . 0 0 "[ . 1 . 2]" 1
474 1 15 LEU H 1 15 LEU HB2 . . 3.460 2.722 2.643 2.814 . 0 0 "[ . 1 . 2]" 1
475 1 15 LEU H 1 15 LEU HG . . 3.950 3.445 3.134 3.905 . 0 0 "[ . 1 . 2]" 1
476 1 14 THR HB 1 15 LEU H . . 4.280 4.238 4.088 4.363 0.083 4 0 "[ . 1 . 2]" 1
477 1 14 THR HA 1 15 LEU H . . 3.000 2.278 2.223 2.330 . 0 0 "[ . 1 . 2]" 1
478 1 4 PHE HA 1 15 LEU H . . 4.330 3.753 3.501 3.985 . 0 0 "[ . 1 . 2]" 1
479 1 4 PHE HD1 1 15 LEU H . . 5.110 5.093 4.647 5.647 0.537 15 1 "[ . 1 + 2]" 1
480 1 15 LEU HB3 1 16 GLU H . . 3.380 2.750 2.591 2.948 . 0 0 "[ . 1 . 2]" 1
481 1 16 GLU H 1 16 GLU HB3 . . 3.270 2.400 2.302 2.537 . 0 0 "[ . 1 . 2]" 1
482 1 16 GLU H 1 16 GLU HB2 . . 3.380 2.851 2.660 3.012 . 0 0 "[ . 1 . 2]" 1
483 1 15 LEU HA 1 16 GLU H . . 2.780 2.236 2.156 2.309 . 0 0 "[ . 1 . 2]" 1
484 1 17 VAL H 1 17 VAL QG . . 3.040 2.277 2.039 2.557 . 0 0 "[ . 1 . 2]" 1
485 1 3 ILE MD 1 17 VAL H . . 5.330 5.075 4.650 5.532 0.202 2 0 "[ . 1 . 2]" 1
486 1 16 GLU HB3 1 17 VAL H . . 4.540 4.397 4.320 4.507 . 0 0 "[ . 1 . 2]" 1
487 1 16 GLU HB2 1 17 VAL H . . 4.820 4.375 4.253 4.573 . 0 0 "[ . 1 . 2]" 1
488 1 16 GLU HG2 1 17 VAL H . . 4.300 3.757 3.266 4.087 . 0 0 "[ . 1 . 2]" 1
489 1 16 GLU HG3 1 17 VAL H . . 4.490 3.319 2.877 4.026 . 0 0 "[ . 1 . 2]" 1
490 1 16 GLU HA 1 17 VAL H . . 2.770 2.172 2.131 2.259 . 0 0 "[ . 1 . 2]" 1
491 1 2 GLN HA 1 17 VAL H . . 4.150 2.916 2.633 3.454 . 0 0 "[ . 1 . 2]" 1
492 1 3 ILE H 1 17 VAL H . . 4.370 4.370 4.096 4.628 0.258 4 0 "[ . 1 . 2]" 1
493 1 18 GLU H 1 18 GLU QB . . 3.720 3.179 3.061 3.260 . 0 0 "[ . 1 . 2]" 1
494 1 17 VAL HB 1 18 GLU H . . 2.910 2.190 2.026 2.480 . 0 0 "[ . 1 . 2]" 1
495 1 17 VAL HA 1 18 GLU H . . 3.020 2.778 2.664 2.925 . 0 0 "[ . 1 . 2]" 1
496 1 18 GLU QB 1 20 SER H . . 3.710 3.039 2.801 3.393 . 0 0 "[ . 1 . 2]" 1
497 1 19 PRO QB 1 20 SER H . . 4.040 3.082 2.930 3.179 . 0 0 "[ . 1 . 2]" 1
498 1 20 SER H 1 20 SER HB2 . . 3.270 2.590 2.411 3.450 0.180 11 0 "[ . 1 . 2]" 1
499 1 18 GLU HA 1 20 SER H . . 4.490 4.259 4.079 4.421 . 0 0 "[ . 1 . 2]" 1
500 1 21 ASP H 1 56 LEU QD . . 4.710 2.909 2.621 3.179 . 0 0 "[ . 1 . 2]" 1
501 1 18 GLU QB 1 21 ASP H . . 3.730 4.526 4.351 4.787 1.057 13 20 [**********-*+*******] 1
502 1 21 ASP H 1 21 ASP QB . . 3.160 2.308 2.161 2.533 . 0 0 "[ . 1 . 2]" 1
503 1 20 SER HB2 1 21 ASP H . . 4.350 4.195 3.985 4.576 0.226 2 0 "[ . 1 . 2]" 1
504 1 20 SER HB3 1 21 ASP H . . 4.180 4.571 4.213 4.681 0.501 11 1 "[ . 1+ . 2]" 1
505 1 18 GLU HA 1 21 ASP H . . 4.750 5.055 5.018 5.073 0.323 18 0 "[ . 1 . 2]" 1
506 1 20 SER H 1 21 ASP H . . 3.340 2.754 2.675 2.852 . 0 0 "[ . 1 . 2]" 1
507 1 18 GLU H 1 21 ASP H . . 4.060 3.522 3.374 3.700 . 0 0 "[ . 1 . 2]" 1
508 1 22 THR H 1 55 THR MG . . 4.380 3.512 3.204 3.890 . 0 0 "[ . 1 . 2]" 1
509 1 22 THR H 1 22 THR MG . . 3.030 2.658 2.337 2.993 . 0 0 "[ . 1 . 2]" 1
510 1 21 ASP QB 1 22 THR H . . 3.840 3.790 3.619 3.903 0.063 12 0 "[ . 1 . 2]" 1
511 1 22 THR H 1 25 ASN HB2 . . 3.730 3.027 2.725 3.505 . 0 0 "[ . 1 . 2]" 1
512 1 21 ASP HA 1 22 THR H . . 2.800 2.338 2.270 2.385 . 0 0 "[ . 1 . 2]" 1
513 1 23 ILE H 1 23 ILE MD . . 3.990 3.360 3.033 3.735 . 0 0 "[ . 1 . 2]" 1
514 1 23 ILE H 1 23 ILE MG . . 4.360 3.823 3.770 3.844 . 0 0 "[ . 1 . 2]" 1
515 1 22 THR MG 1 23 ILE H . . 4.040 3.527 3.204 3.839 . 0 0 "[ . 1 . 2]" 1
516 1 23 ILE H 1 23 ILE HB . . 3.760 2.472 2.326 2.570 . 0 0 "[ . 1 . 2]" 1
517 1 22 THR HA 1 23 ILE H . . 3.510 2.324 2.280 2.365 . 0 0 "[ . 1 . 2]" 1
518 1 22 THR HB 1 23 ILE H . . 3.740 2.644 2.504 2.747 . 0 0 "[ . 1 . 2]" 1
519 1 23 ILE H 1 55 THR HA . . 4.110 3.250 3.006 3.455 . 0 0 "[ . 1 . 2]" 1
520 1 25 ASN H 1 26 VAL MG2 . . 4.550 4.078 3.862 4.318 . 0 0 "[ . 1 . 2]" 1
521 1 24 GLU QG 1 25 ASN H . . 4.570 3.634 3.177 4.087 . 0 0 "[ . 1 . 2]" 1
522 1 25 ASN H 1 25 ASN HB3 . . 3.670 3.521 3.404 3.620 . 0 0 "[ . 1 . 2]" 1
523 1 25 ASN H 1 25 ASN HB2 . . 3.410 2.253 2.112 2.448 . 0 0 "[ . 1 . 2]" 1
524 1 22 THR HB 1 25 ASN H . . 4.600 3.507 3.132 3.962 . 0 0 "[ . 1 . 2]" 1
525 1 22 THR MG 1 25 ASN QD . . 4.480 3.676 2.849 4.668 0.188 18 0 "[ . 1 . 2]" 1
526 1 25 ASN QD 1 28 ALA MB . . 5.500 5.283 5.044 5.679 0.179 5 0 "[ . 1 . 2]" 1
527 1 25 ASN HA 1 25 ASN QD . . 3.750 3.666 3.219 4.019 0.269 5 0 "[ . 1 . 2]" 1
528 1 21 ASP HA 1 25 ASN QD . . 4.880 4.070 3.376 4.783 . 0 0 "[ . 1 . 2]" 1
529 1 25 ASN H 1 25 ASN QD . . 4.560 3.011 2.309 3.936 . 0 0 "[ . 1 . 2]" 1
530 1 22 THR H 1 25 ASN QD . . 4.330 2.703 2.168 3.196 . 0 0 "[ . 1 . 2]" 1
531 1 26 VAL H 1 26 VAL MG1 . . 3.980 3.783 3.719 3.823 . 0 0 "[ . 1 . 2]" 1
532 1 26 VAL H 1 26 VAL MG2 . . 3.060 2.018 1.925 2.145 . 0 0 "[ . 1 . 2]" 1
533 1 26 VAL H 1 26 VAL HB . . 3.250 2.580 2.384 2.708 . 0 0 "[ . 1 . 2]" 1
534 1 25 ASN HB3 1 26 VAL H . . 3.790 3.149 2.835 3.365 . 0 0 "[ . 1 . 2]" 1
535 1 25 ASN HB2 1 26 VAL H . . 4.040 2.594 2.324 2.803 . 0 0 "[ . 1 . 2]" 1
536 1 23 ILE HA 1 26 VAL H . . 4.030 3.218 2.970 3.373 . 0 0 "[ . 1 . 2]" 1
537 1 25 ASN H 1 26 VAL H . . 3.660 2.685 2.546 2.814 . 0 0 "[ . 1 . 2]" 1
538 1 26 VAL H 1 27 LYS H . . 3.650 2.883 2.814 3.002 . 0 0 "[ . 1 . 2]" 1
539 1 26 VAL MG1 1 27 LYS H . . 4.010 3.593 3.293 3.851 . 0 0 "[ . 1 . 2]" 1
540 1 27 LYS H 1 27 LYS HG2 . . 4.720 4.521 4.401 4.604 . 0 0 "[ . 1 . 2]" 1
541 1 27 LYS H 1 27 LYS HG3 . . 4.720 4.350 4.195 4.485 . 0 0 "[ . 1 . 2]" 1
542 1 27 LYS H 1 27 LYS HB3 . . 4.050 2.598 2.375 2.817 . 0 0 "[ . 1 . 2]" 1
543 1 27 LYS H 1 27 LYS HB2 . . 4.050 2.384 2.274 2.556 . 0 0 "[ . 1 . 2]" 1
544 1 26 VAL HB 1 27 LYS H . . 3.680 2.753 2.511 2.971 . 0 0 "[ . 1 . 2]" 1
545 1 27 LYS H 1 28 ALA H . . 4.000 2.621 2.525 2.673 . 0 0 "[ . 1 . 2]" 1
546 1 27 LYS HB2 1 28 ALA H . . 4.800 4.191 4.091 4.344 . 0 0 "[ . 1 . 2]" 1
547 1 28 ALA H 1 28 ALA MB . . 3.150 2.291 2.222 2.330 . 0 0 "[ . 1 . 2]" 1
548 1 25 ASN HA 1 28 ALA H . . 4.430 3.389 3.238 3.647 . 0 0 "[ . 1 . 2]" 1
549 1 15 LEU QD 1 29 LYS H . . 4.550 4.000 3.737 4.109 . 0 0 "[ . 1 . 2]" 1
550 1 28 ALA MB 1 29 LYS H . . 3.280 2.450 2.338 2.599 . 0 0 "[ . 1 . 2]" 1
551 1 29 LYS H 1 29 LYS HG3 . . 3.510 2.369 2.141 2.631 . 0 0 "[ . 1 . 2]" 1
552 1 29 LYS H 1 29 LYS HB3 . . 3.780 3.589 3.559 3.646 . 0 0 "[ . 1 . 2]" 1
553 1 29 LYS H 1 29 LYS HB2 . . 3.780 2.448 2.366 2.645 . 0 0 "[ . 1 . 2]" 1
554 1 26 VAL HA 1 29 LYS H . . 3.950 3.579 3.385 3.726 . 0 0 "[ . 1 . 2]" 1
555 1 25 ASN HA 1 29 LYS H . . 4.910 3.930 3.771 4.163 . 0 0 "[ . 1 . 2]" 1
556 1 28 ALA H 1 29 LYS H . . 3.640 2.297 2.209 2.394 . 0 0 "[ . 1 . 2]" 1
557 1 30 ILE H 1 30 ILE HG13 . . 3.880 3.032 2.901 3.241 . 0 0 "[ . 1 . 2]" 1
558 1 29 LYS H 1 30 ILE H . . 4.070 2.955 2.884 3.042 . 0 0 "[ . 1 . 2]" 1
559 1 30 ILE H 1 30 ILE MG . . 3.610 2.424 2.347 2.533 . 0 0 "[ . 1 . 2]" 1
560 1 31 GLN H 1 31 GLN QB . . 3.310 2.576 2.391 2.682 . 0 0 "[ . 1 . 2]" 1
561 1 31 GLN H 1 31 GLN QG . . 3.630 2.005 1.869 2.350 . 0 0 "[ . 1 . 2]" 1
562 1 28 ALA HA 1 31 GLN H . . 4.050 3.431 3.307 3.517 . 0 0 "[ . 1 . 2]" 1
563 1 31 GLN H 1 32 ASP H . . 3.600 2.457 2.380 2.555 . 0 0 "[ . 1 . 2]" 1
564 1 30 ILE MD 1 31 GLN QE . . 4.640 4.542 3.814 5.847 1.207 3 5 "[**+-. 1* . 2]" 1
565 1 31 GLN QE 1 36 ILE MD . . 5.500 4.981 3.925 6.157 0.657 5 2 "[ + 1 .- 2]" 1
566 1 30 ILE MG 1 32 ASP H . . 5.500 5.322 5.247 5.391 . 0 0 "[ . 1 . 2]" 1
567 1 31 GLN QB 1 32 ASP H . . 4.040 3.020 2.815 3.140 . 0 0 "[ . 1 . 2]" 1
568 1 31 GLN QG 1 32 ASP H . . 4.710 3.952 3.834 4.276 . 0 0 "[ . 1 . 2]" 1
569 1 32 ASP H 1 32 ASP HB2 . . 3.710 3.022 2.582 3.252 . 0 0 "[ . 1 . 2]" 1
570 1 32 ASP H 1 32 ASP HB3 . . 3.710 2.214 2.116 2.470 . 0 0 "[ . 1 . 2]" 1
571 1 29 LYS HA 1 32 ASP H . . 3.880 3.439 3.233 3.559 . 0 0 "[ . 1 . 2]" 1
572 1 32 ASP H 1 33 LYS H . . 3.950 2.396 2.106 2.591 . 0 0 "[ . 1 . 2]" 1
573 1 33 LYS H 1 33 LYS HG2 . . 5.070 3.666 2.452 4.612 . 0 0 "[ . 1 . 2]" 1
574 1 33 LYS H 1 33 LYS HB2 . . 4.070 2.368 2.147 2.873 . 0 0 "[ . 1 . 2]" 1
575 1 32 ASP HB2 1 33 LYS H . . 4.640 4.183 3.938 4.356 . 0 0 "[ . 1 . 2]" 1
576 1 32 ASP HB3 1 33 LYS H . . 4.640 2.984 2.782 3.256 . 0 0 "[ . 1 . 2]" 1
577 1 30 ILE HA 1 33 LYS H . . 4.920 3.270 3.060 3.500 . 0 0 "[ . 1 . 2]" 1
578 1 13 ILE MG 1 34 GLU H . . 4.730 4.994 4.580 5.267 0.537 16 3 "[ *. 1 .+ -]" 1
579 1 33 LYS HB2 1 34 GLU H . . 4.530 3.549 3.257 4.124 . 0 0 "[ . 1 . 2]" 1
580 1 34 GLU H 1 34 GLU HG2 . . 5.310 5.010 4.821 5.163 . 0 0 "[ . 1 . 2]" 1
581 1 34 GLU H 1 34 GLU HG3 . . 5.310 4.642 4.524 4.750 . 0 0 "[ . 1 . 2]" 1
582 1 33 LYS H 1 34 GLU H . . 3.870 2.662 2.374 2.803 . 0 0 "[ . 1 . 2]" 1
583 1 60 ASN H 1 60 ASN HA . . 2.710 2.229 2.190 2.250 . 0 0 "[ . 1 . 2]" 1
584 1 42 ARG H 1 70 VAL MG2 . . 4.940 4.013 3.572 4.430 . 0 0 "[ . 1 . 2]" 1
585 1 42 ARG H 1 42 ARG HG2 . . 5.500 4.514 4.370 4.769 . 0 0 "[ . 1 . 2]" 1
586 1 42 ARG H 1 42 ARG HG3 . . 5.500 4.818 4.716 4.904 . 0 0 "[ . 1 . 2]" 1
587 1 43 LEU H 1 43 LEU MD1 . . 5.440 4.158 4.035 4.301 . 0 0 "[ . 1 . 2]" 1
588 1 43 LEU H 1 43 LEU MD2 . . 5.440 4.132 3.202 4.257 . 0 0 "[ . 1 . 2]" 1
589 1 43 LEU H 1 43 LEU HB2 . . 3.660 2.466 2.114 2.625 . 0 0 "[ . 1 . 2]" 1
590 1 43 LEU H 1 43 LEU HB3 . . 4.090 2.490 2.391 3.198 . 0 0 "[ . 1 . 2]" 1
591 1 42 ARG HB2 1 43 LEU H . . 4.430 4.224 4.117 4.447 0.017 4 0 "[ . 1 . 2]" 1
592 1 42 ARG HB3 1 43 LEU H . . 4.430 4.141 3.944 4.276 . 0 0 "[ . 1 . 2]" 1
593 1 42 ARG HA 1 43 LEU H . . 3.250 2.218 2.153 2.273 . 0 0 "[ . 1 . 2]" 1
594 1 44 ILE H 1 44 ILE MG . . 4.230 3.935 3.889 3.979 . 0 0 "[ . 1 . 2]" 1
595 1 44 ILE H 1 44 ILE MD . . 4.490 3.745 3.594 4.058 . 0 0 "[ . 1 . 2]" 1
596 1 43 LEU MD1 1 44 ILE H . . 4.830 2.722 2.336 2.884 . 0 0 "[ . 1 . 2]" 1
597 1 43 LEU HB2 1 44 ILE H . . 4.830 4.323 4.250 4.446 . 0 0 "[ . 1 . 2]" 1
598 1 43 LEU HB3 1 44 ILE H . . 4.990 4.029 3.445 4.194 . 0 0 "[ . 1 . 2]" 1
599 1 44 ILE H 1 44 ILE HB . . 3.690 2.736 2.616 2.877 . 0 0 "[ . 1 . 2]" 1
600 1 43 LEU HA 1 44 ILE H . . 3.190 2.251 2.217 2.276 . 0 0 "[ . 1 . 2]" 1
601 1 45 PHE H 1 50 LEU MD2 . . 3.770 3.119 2.467 3.923 0.153 12 0 "[ . 1 . 2]" 1
602 1 45 PHE H 1 50 LEU MD1 . . 3.960 3.452 3.109 3.698 . 0 0 "[ . 1 . 2]" 1
603 1 44 ILE MG 1 45 PHE H . . 3.270 2.438 2.340 2.523 . 0 0 "[ . 1 . 2]" 1
604 1 45 PHE H 1 50 LEU HG . . 3.620 2.930 2.795 3.087 . 0 0 "[ . 1 . 2]" 1
605 1 45 PHE H 1 45 PHE HB2 . . 4.060 3.366 3.269 3.445 . 0 0 "[ . 1 . 2]" 1
606 1 45 PHE H 1 48 LYS HB3 . . 4.220 3.515 3.074 4.122 . 0 0 "[ . 1 . 2]" 1
607 1 45 PHE H 1 45 PHE QD . . 4.460 4.358 4.230 4.464 0.004 12 0 "[ . 1 . 2]" 1
608 1 44 ILE HA 1 45 PHE H . . 3.140 2.324 2.284 2.380 . 0 0 "[ . 1 . 2]" 1
609 1 44 ILE MG 1 46 ALA H . . 4.290 4.094 3.709 4.283 . 0 0 "[ . 1 . 2]" 1
610 1 46 ALA H 1 46 ALA MB . . 3.380 2.785 2.742 2.858 . 0 0 "[ . 1 . 2]" 1
611 1 46 ALA H 1 46 ALA HA . . 2.910 2.273 2.223 2.332 . 0 0 "[ . 1 . 2]" 1
612 1 45 PHE HB2 1 46 ALA H . . 4.730 4.310 4.229 4.447 . 0 0 "[ . 1 . 2]" 1
613 1 46 ALA H 1 68 HIS HB2 . . 5.380 5.233 4.673 5.588 0.208 11 0 "[ . 1 . 2]" 1
614 1 45 PHE HA 1 46 ALA H . . 3.090 2.186 2.131 2.247 . 0 0 "[ . 1 . 2]" 1
615 1 45 PHE QD 1 46 ALA H . . 3.930 3.125 2.935 3.437 . 0 0 "[ . 1 . 2]" 1
616 1 44 ILE MG 1 47 GLY H . . 3.270 2.462 2.177 2.663 . 0 0 "[ . 1 . 2]" 1
617 1 46 ALA MB 1 47 GLY H . . 3.800 3.739 3.707 3.783 . 0 0 "[ . 1 . 2]" 1
618 1 46 ALA HA 1 47 GLY H . . 3.220 2.773 2.678 2.895 . 0 0 "[ . 1 . 2]" 1
619 1 45 PHE HA 1 47 GLY H . . 4.620 3.899 3.713 4.060 . 0 0 "[ . 1 . 2]" 1
620 1 46 ALA H 1 47 GLY H . . 3.690 2.851 2.733 2.928 . 0 0 "[ . 1 . 2]" 1
621 1 44 ILE MG 1 48 LYS H . . 3.360 3.175 2.960 3.345 . 0 0 "[ . 1 . 2]" 1
622 1 46 ALA MB 1 48 LYS H . . 4.360 3.437 3.222 3.594 . 0 0 "[ . 1 . 2]" 1
623 1 48 LYS H 1 48 LYS QG . . 4.290 3.956 3.530 4.029 . 0 0 "[ . 1 . 2]" 1
624 1 48 LYS H 1 48 LYS HB2 . . 3.140 2.610 2.147 2.804 . 0 0 "[ . 1 . 2]" 1
625 1 47 GLY H 1 48 LYS H . . 3.630 2.967 2.833 3.088 . 0 0 "[ . 1 . 2]" 1
626 1 45 PHE H 1 48 LYS H . . 3.790 3.176 2.940 3.301 . 0 0 "[ . 1 . 2]" 1
627 1 48 LYS H 1 49 GLN H . . 4.440 4.512 4.437 4.550 0.110 20 0 "[ . 1 . 2]" 1
628 1 49 GLN H 1 50 LEU MD2 . . 4.840 4.372 4.198 4.552 . 0 0 "[ . 1 . 2]" 1
629 1 44 ILE MG 1 49 GLN H . . 4.660 3.795 3.467 4.186 . 0 0 "[ . 1 . 2]" 1
630 1 48 LYS QG 1 49 GLN H . . 3.710 2.738 2.405 4.114 0.404 3 0 "[ . 1 . 2]" 1
631 1 49 GLN H 1 49 GLN HG2 . . 4.370 3.851 3.747 4.030 . 0 0 "[ . 1 . 2]" 1
632 1 48 LYS HA 1 49 GLN H . . 2.590 2.164 2.128 2.231 . 0 0 "[ . 1 . 2]" 1
633 1 44 ILE MG 1 49 GLN QE . . 5.500 3.860 3.339 4.583 . 0 0 "[ . 1 . 2]" 1
634 1 44 ILE MD 1 49 GLN QE . . 5.500 3.736 3.190 4.157 . 0 0 "[ . 1 . 2]" 1
635 1 50 LEU H 1 50 LEU MD2 . . 3.890 3.441 3.283 3.587 . 0 0 "[ . 1 . 2]" 1
636 1 50 LEU H 1 50 LEU MD1 . . 3.880 3.930 3.760 4.053 0.173 3 0 "[ . 1 . 2]" 1
637 1 44 ILE MD 1 50 LEU H . . 3.840 2.775 2.449 3.287 . 0 0 "[ . 1 . 2]" 1
638 1 50 LEU H 1 50 LEU HG . . 3.160 2.609 2.375 2.813 . 0 0 "[ . 1 . 2]" 1
639 1 49 GLN HA 1 50 LEU H . . 3.080 2.240 2.197 2.272 . 0 0 "[ . 1 . 2]" 1
640 1 50 LEU MD2 1 51 GLU H . . 4.180 4.045 3.848 4.181 0.001 19 0 "[ . 1 . 2]" 1
641 1 51 GLU H 1 51 GLU HB2 . . 4.150 3.964 3.892 4.074 . 0 0 "[ . 1 . 2]" 1
642 1 51 GLU H 1 51 GLU HB3 . . 4.060 3.507 3.348 3.693 . 0 0 "[ . 1 . 2]" 1
643 1 51 GLU H 1 51 GLU QG . . 4.160 2.603 2.294 2.965 . 0 0 "[ . 1 . 2]" 1
644 1 50 LEU HA 1 51 GLU H . . 3.390 2.327 2.244 2.391 . 0 0 "[ . 1 . 2]" 1
645 1 51 GLU H 1 52 ASP HA . . 4.990 4.805 4.693 4.920 . 0 0 "[ . 1 . 2]" 1
646 1 51 GLU H 1 59 TYR QE . . 4.100 3.147 2.711 3.479 . 0 0 "[ . 1 . 2]" 1
647 1 51 GLU HB3 1 52 ASP H . . 3.920 3.625 3.418 3.756 . 0 0 "[ . 1 . 2]" 1
648 1 52 ASP H 1 52 ASP HB2 . . 3.750 3.563 3.469 3.636 . 0 0 "[ . 1 . 2]" 1
649 1 23 ILE MG 1 52 ASP H . . 4.280 3.629 3.278 3.890 . 0 0 "[ . 1 . 2]" 1
650 1 54 ARG H 1 54 ARG QG . . 3.600 3.036 2.239 3.376 . 0 0 "[ . 1 . 2]" 1
651 1 54 ARG H 1 54 ARG HB2 . . 3.870 2.456 2.286 2.923 . 0 0 "[ . 1 . 2]" 1
652 1 54 ARG H 1 54 ARG HB3 . . 3.660 3.669 3.575 3.785 0.125 16 0 "[ . 1 . 2]" 1
653 1 52 ASP HA 1 54 ARG H . . 4.370 3.145 3.056 3.282 . 0 0 "[ . 1 . 2]" 1
654 1 54 ARG H 1 59 TYR QE . . 4.390 3.698 3.327 4.230 . 0 0 "[ . 1 . 2]" 1
655 1 54 ARG H 1 55 THR H . . 4.540 4.551 4.501 4.598 0.058 10 0 "[ . 1 . 2]" 1
656 1 55 THR H 1 55 THR MG . . 3.350 2.768 2.659 2.916 . 0 0 "[ . 1 . 2]" 1
657 1 54 ARG HB2 1 55 THR H . . 3.580 3.713 3.094 3.854 0.274 14 0 "[ . 1 . 2]" 1
658 1 54 ARG HB3 1 55 THR H . . 3.710 2.386 2.228 2.541 . 0 0 "[ . 1 . 2]" 1
659 1 55 THR H 1 58 ASP HB2 . . 3.700 2.559 2.302 2.914 . 0 0 "[ . 1 . 2]" 1
660 1 54 ARG HA 1 55 THR H . . 3.240 2.401 2.355 2.493 . 0 0 "[ . 1 . 2]" 1
661 1 55 THR H 1 59 TYR QE . . 4.730 4.508 4.173 5.087 0.357 15 0 "[ . 1 . 2]" 1
662 1 55 THR H 1 58 ASP H . . 4.550 3.321 3.153 3.452 . 0 0 "[ . 1 . 2]" 1
663 1 23 ILE MD 1 56 LEU H . . 4.370 4.249 3.727 5.076 0.706 6 3 "[ .+ 1 .- *2]" 1
664 1 56 LEU H 1 56 LEU QD . . 3.940 2.420 2.145 2.932 . 0 0 "[ . 1 . 2]" 1
665 1 55 THR MG 1 56 LEU H . . 3.770 3.692 3.590 3.785 0.015 8 0 "[ . 1 . 2]" 1
666 1 56 LEU H 1 56 LEU HB3 . . 4.000 3.521 3.282 3.625 . 0 0 "[ . 1 . 2]" 1
667 1 56 LEU H 1 56 LEU HB2 . . 3.720 2.271 2.068 2.423 . 0 0 "[ . 1 . 2]" 1
668 1 55 THR HB 1 56 LEU H . . 3.320 2.294 2.163 2.396 . 0 0 "[ . 1 . 2]" 1
669 1 22 THR HA 1 56 LEU H . . 4.240 4.044 3.794 4.218 . 0 0 "[ . 1 . 2]" 1
670 1 55 THR HA 1 56 LEU H . . 3.420 2.465 2.377 2.523 . 0 0 "[ . 1 . 2]" 1
671 1 56 LEU QD 1 57 SER H . . 4.650 4.039 3.940 4.142 . 0 0 "[ . 1 . 2]" 1
672 1 55 THR MG 1 57 SER H . . 4.530 4.528 4.358 4.725 0.195 5 0 "[ . 1 . 2]" 1
673 1 56 LEU HB3 1 57 SER H . . 3.850 3.201 2.704 3.487 . 0 0 "[ . 1 . 2]" 1
674 1 56 LEU HB2 1 57 SER H . . 3.560 2.911 2.766 3.125 . 0 0 "[ . 1 . 2]" 1
675 1 19 PRO QB 1 57 SER H . . 4.410 3.781 3.531 4.097 . 0 0 "[ . 1 . 2]" 1
676 1 57 SER H 1 57 SER HB2 . . 3.340 2.375 2.191 2.590 . 0 0 "[ . 1 . 2]" 1
677 1 57 SER H 1 57 SER HB3 . . 3.350 2.777 2.234 3.606 0.256 1 0 "[ . 1 . 2]" 1
678 1 19 PRO HA 1 57 SER H . . 3.890 3.403 2.980 3.837 . 0 0 "[ . 1 . 2]" 1
679 1 55 THR HB 1 57 SER H . . 3.560 3.140 2.837 3.390 . 0 0 "[ . 1 . 2]" 1
680 1 55 THR HA 1 57 SER H . . 4.580 4.553 4.423 4.757 0.177 5 0 "[ . 1 . 2]" 1
681 1 57 SER H 1 59 TYR H . . 4.740 4.405 4.130 4.580 . 0 0 "[ . 1 . 2]" 1
682 1 56 LEU H 1 57 SER H . . 3.690 2.884 2.755 2.999 . 0 0 "[ . 1 . 2]" 1
683 1 55 THR MG 1 58 ASP H . . 4.680 4.551 4.385 4.729 0.049 1 0 "[ . 1 . 2]" 1
684 1 58 ASP H 1 58 ASP HB3 . . 3.780 3.628 3.591 3.651 . 0 0 "[ . 1 . 2]" 1
685 1 58 ASP H 1 58 ASP HB2 . . 3.370 2.567 2.441 2.697 . 0 0 "[ . 1 . 2]" 1
686 1 57 SER HB2 1 58 ASP H . . 3.950 3.744 2.698 4.054 0.104 3 0 "[ . 1 . 2]" 1
687 1 57 SER HB3 1 58 ASP H . . 4.370 2.933 2.495 3.927 . 0 0 "[ . 1 . 2]" 1
688 1 58 ASP H 1 59 TYR H . . 3.590 2.716 2.599 2.805 . 0 0 "[ . 1 . 2]" 1
689 1 57 SER H 1 58 ASP H . . 3.440 2.798 2.735 2.900 . 0 0 "[ . 1 . 2]" 1
690 1 59 TYR H 1 61 ILE MD . . 5.000 4.086 3.804 4.465 . 0 0 "[ . 1 . 2]" 1
691 1 55 THR MG 1 59 TYR H . . 5.500 6.046 5.875 6.221 0.721 3 14 "[**+ -****1 * ** ***2]" 1
692 1 58 ASP HB3 1 59 TYR H . . 4.240 3.563 3.378 3.759 . 0 0 "[ . 1 . 2]" 1
693 1 59 TYR H 1 59 TYR HB3 . . 3.540 3.581 3.549 3.642 0.102 7 0 "[ . 1 . 2]" 1
694 1 58 ASP HB2 1 59 TYR H . . 4.150 2.494 2.335 2.651 . 0 0 "[ . 1 . 2]" 1
695 1 59 TYR H 1 59 TYR HB2 . . 3.730 2.349 2.283 2.436 . 0 0 "[ . 1 . 2]" 1
696 1 56 LEU HA 1 59 TYR H . . 4.750 3.697 3.439 3.939 . 0 0 "[ . 1 . 2]" 1
697 1 59 TYR H 1 60 ASN HA . . 4.820 4.769 4.596 4.896 0.076 20 0 "[ . 1 . 2]" 1
698 1 55 THR H 1 59 TYR H . . 4.690 4.329 4.152 4.585 . 0 0 "[ . 1 . 2]" 1
699 1 60 ASN H 1 61 ILE MD . . 4.840 4.837 4.573 5.121 0.281 1 0 "[ . 1 . 2]" 1
700 1 60 ASN H 1 61 ILE HG12 . . 5.500 5.651 5.129 5.895 0.395 3 0 "[ . 1 . 2]" 1
701 1 60 ASN H 1 61 ILE HB . . 5.130 4.896 4.699 5.213 0.083 1 0 "[ . 1 . 2]" 1
702 1 59 TYR HB3 1 60 ASN H . . 4.510 4.258 4.166 4.346 . 0 0 "[ . 1 . 2]" 1
703 1 60 ASN H 1 60 ASN HB2 . . 4.000 3.019 2.916 3.181 . 0 0 "[ . 1 . 2]" 1
704 1 60 ASN H 1 60 ASN HB3 . . 4.210 3.548 3.420 3.705 . 0 0 "[ . 1 . 2]" 1
705 1 59 TYR HB2 1 60 ASN H . . 4.690 3.593 3.402 3.708 . 0 0 "[ . 1 . 2]" 1
706 1 57 SER HA 1 60 ASN H . . 3.600 3.311 3.035 3.541 . 0 0 "[ . 1 . 2]" 1
707 1 59 TYR H 1 60 ASN H . . 3.250 2.633 2.480 2.743 . 0 0 "[ . 1 . 2]" 1
708 1 60 ASN H 1 61 ILE H . . 3.560 2.771 2.648 2.871 . 0 0 "[ . 1 . 2]" 1
709 1 60 ASN HB3 1 60 ASN QD . . 3.170 2.248 2.135 2.567 . 0 0 "[ . 1 . 2]" 1
710 1 60 ASN HA 1 60 ASN QD . . 4.470 4.064 3.824 4.172 . 0 0 "[ . 1 . 2]" 1
711 1 61 ILE H 1 61 ILE HG13 . . 4.160 2.451 2.190 2.578 . 0 0 "[ . 1 . 2]" 1
712 1 61 ILE H 1 61 ILE MG . . 4.160 3.772 3.739 3.823 . 0 0 "[ . 1 . 2]" 1
713 1 61 ILE H 1 61 ILE MD . . 4.420 3.577 3.423 3.844 . 0 0 "[ . 1 . 2]" 1
714 1 61 ILE H 1 61 ILE HG12 . . 4.050 3.725 3.350 3.880 . 0 0 "[ . 1 . 2]" 1
715 1 61 ILE H 1 61 ILE HB . . 3.370 2.383 2.298 2.605 . 0 0 "[ . 1 . 2]" 1
716 1 60 ASN HA 1 61 ILE H . . 3.540 2.678 2.634 2.730 . 0 0 "[ . 1 . 2]" 1
717 1 61 ILE HG13 1 62 GLN H . . 5.190 5.049 4.822 5.264 0.074 1 0 "[ . 1 . 2]" 1
718 1 61 ILE MG 1 62 GLN H . . 3.480 2.899 2.743 3.027 . 0 0 "[ . 1 . 2]" 1
719 1 62 GLN H 1 62 GLN HB2 . . 3.510 2.562 2.451 2.690 . 0 0 "[ . 1 . 2]" 1
720 1 61 ILE HA 1 62 GLN H . . 2.900 2.202 2.123 2.266 . 0 0 "[ . 1 . 2]" 1
721 1 60 ASN HA 1 62 GLN HE21 . . 4.730 3.406 2.925 4.168 . 0 0 "[ . 1 . 2]" 1
722 1 63 LYS H 1 63 LYS HG3 . . 4.030 3.460 3.187 3.649 . 0 0 "[ . 1 . 2]" 1
723 1 63 LYS H 1 63 LYS HG2 . . 4.030 2.282 2.096 2.478 . 0 0 "[ . 1 . 2]" 1
724 1 63 LYS H 1 63 LYS HB3 . . 3.060 2.538 2.467 2.634 . 0 0 "[ . 1 . 2]" 1
725 1 63 LYS H 1 63 LYS HB2 . . 3.790 3.617 3.559 3.667 . 0 0 "[ . 1 . 2]" 1
726 1 62 GLN HB3 1 63 LYS H . . 3.150 2.243 2.132 2.456 . 0 0 "[ . 1 . 2]" 1
727 1 62 GLN HA 1 63 LYS H . . 2.990 2.520 2.370 2.617 . 0 0 "[ . 1 . 2]" 1
728 1 63 LYS HB3 1 64 GLU H . . 4.270 3.911 3.808 4.009 . 0 0 "[ . 1 . 2]" 1
729 1 63 LYS HB2 1 64 GLU H . . 3.940 2.597 2.487 2.682 . 0 0 "[ . 1 . 2]" 1
730 1 1 MET QG 1 64 GLU H . . 5.180 3.570 3.156 3.983 . 0 0 "[ . 1 . 2]" 1
731 1 63 LYS HA 1 64 GLU H . . 3.010 2.322 2.251 2.394 . 0 0 "[ . 1 . 2]" 1
732 1 3 ILE HA 1 64 GLU H . . 3.650 3.303 3.037 3.615 . 0 0 "[ . 1 . 2]" 1
733 1 61 ILE MG 1 65 SER H . . 4.140 4.237 3.962 4.379 0.239 8 0 "[ . 1 . 2]" 1
734 1 64 GLU HA 1 65 SER H . . 3.290 2.793 2.612 2.909 . 0 0 "[ . 1 . 2]" 1
735 1 65 SER H 1 65 SER HB2 . . 3.670 3.407 2.364 3.555 . 0 0 "[ . 1 . 2]" 1
736 1 65 SER H 1 65 SER HB3 . . 3.690 3.079 2.870 3.646 . 0 0 "[ . 1 . 2]" 1
737 1 63 LYS HA 1 65 SER H . . 4.030 3.517 3.367 3.741 . 0 0 "[ . 1 . 2]" 1
738 1 3 ILE HA 1 65 SER H . . 4.070 2.719 2.575 2.882 . 0 0 "[ . 1 . 2]" 1
739 1 64 GLU H 1 65 SER H . . 3.560 2.904 2.833 2.987 . 0 0 "[ . 1 . 2]" 1
740 1 66 THR H 1 66 THR MG . . 3.930 3.896 3.784 3.974 0.044 19 0 "[ . 1 . 2]" 1
741 1 65 SER HB2 1 66 THR H . . 4.030 2.751 2.512 3.879 . 0 0 "[ . 1 . 2]" 1
742 1 65 SER HB3 1 66 THR H . . 4.240 3.618 2.558 3.845 . 0 0 "[ . 1 . 2]" 1
743 1 66 THR H 1 66 THR HB . . 3.270 2.763 2.582 2.926 . 0 0 "[ . 1 . 2]" 1
744 1 65 SER HA 1 66 THR H . . 2.900 2.470 2.346 2.557 . 0 0 "[ . 1 . 2]" 1
745 1 45 PHE QD 1 66 THR H . . 4.720 3.929 3.329 4.464 . 0 0 "[ . 1 . 2]" 1
746 1 45 PHE QE 1 66 THR H . . 3.950 3.076 2.361 3.997 0.047 2 0 "[ . 1 . 2]" 1
747 1 65 SER H 1 66 THR H . . 4.650 4.624 4.587 4.662 0.012 18 0 "[ . 1 . 2]" 1
748 1 66 THR H 1 67 LEU H . . 4.840 4.094 3.971 4.342 . 0 0 "[ . 1 . 2]" 1
749 1 66 THR MG 1 67 LEU H . . 3.510 3.056 2.743 3.281 . 0 0 "[ . 1 . 2]" 1
750 1 67 LEU H 1 67 LEU HB2 . . 3.790 2.394 2.293 2.507 . 0 0 "[ . 1 . 2]" 1
751 1 67 LEU H 1 67 LEU HG . . 4.130 3.750 3.590 3.957 . 0 0 "[ . 1 . 2]" 1
752 1 4 PHE HB3 1 67 LEU H . . 5.140 4.740 4.605 4.896 . 0 0 "[ . 1 . 2]" 1
753 1 66 THR HB 1 67 LEU H . . 4.670 4.359 4.117 4.503 . 0 0 "[ . 1 . 2]" 1
754 1 5 VAL HA 1 67 LEU H . . 3.770 2.576 2.273 2.743 . 0 0 "[ . 1 . 2]" 1
755 1 45 PHE HA 1 67 LEU H . . 5.500 5.554 5.221 5.741 0.241 2 0 "[ . 1 . 2]" 1
756 1 66 THR HA 1 67 LEU H . . 3.040 2.082 2.007 2.126 . 0 0 "[ . 1 . 2]" 1
757 1 6 LYS H 1 67 LEU H . . 4.490 3.905 3.685 4.053 . 0 0 "[ . 1 . 2]" 1
758 1 44 ILE MG 1 68 HIS H . . 4.170 4.292 3.977 4.614 0.444 2 0 "[ . 1 . 2]" 1
759 1 44 ILE HB 1 68 HIS H . . 4.180 3.175 2.884 3.675 . 0 0 "[ . 1 . 2]" 1
760 1 67 LEU HB2 1 68 HIS H . . 4.600 3.705 3.568 3.784 . 0 0 "[ . 1 . 2]" 1
761 1 67 LEU HB3 1 68 HIS H . . 3.620 2.465 2.284 2.607 . 0 0 "[ . 1 . 2]" 1
762 1 68 HIS H 1 68 HIS HB2 . . 3.730 2.504 2.425 2.798 . 0 0 "[ . 1 . 2]" 1
763 1 68 HIS H 1 68 HIS HB3 . . 3.990 3.577 2.961 3.790 . 0 0 "[ . 1 . 2]" 1
764 1 45 PHE HA 1 68 HIS H . . 4.300 3.575 3.371 3.730 . 0 0 "[ . 1 . 2]" 1
765 1 67 LEU HA 1 68 HIS H . . 3.080 2.410 2.357 2.504 . 0 0 "[ . 1 . 2]" 1
766 1 44 ILE H 1 68 HIS H . . 3.900 2.899 2.743 3.094 . 0 0 "[ . 1 . 2]" 1
767 1 5 VAL MG1 1 69 LEU H . . 4.480 4.009 3.667 4.202 . 0 0 "[ . 1 . 2]" 1
768 1 69 LEU H 1 70 VAL MG2 . . 5.500 5.180 4.961 5.541 0.041 12 0 "[ . 1 . 2]" 1
769 1 69 LEU H 1 69 LEU MD2 . . 4.960 4.203 3.691 4.460 . 0 0 "[ . 1 . 2]" 1
770 1 69 LEU H 1 70 VAL MG1 . . 4.540 3.497 3.286 3.721 . 0 0 "[ . 1 . 2]" 1
771 1 69 LEU H 1 69 LEU HB2 . . 3.670 2.458 2.338 2.651 . 0 0 "[ . 1 . 2]" 1
772 1 69 LEU H 1 69 LEU HG . . 4.220 3.354 3.016 3.818 . 0 0 "[ . 1 . 2]" 1
773 1 69 LEU H 1 69 LEU HB3 . . 4.000 3.628 3.458 3.768 . 0 0 "[ . 1 . 2]" 1
774 1 68 HIS HB3 1 69 LEU H . . 4.250 2.714 2.494 3.330 . 0 0 "[ . 1 . 2]" 1
775 1 68 HIS HB2 1 69 LEU H . . 4.230 3.980 3.684 4.115 . 0 0 "[ . 1 . 2]" 1
776 1 7 THR HA 1 69 LEU H . . 4.610 3.919 3.589 4.221 . 0 0 "[ . 1 . 2]" 1
777 1 68 HIS HA 1 69 LEU H . . 3.220 2.342 2.260 2.431 . 0 0 "[ . 1 . 2]" 1
778 1 70 VAL H 1 70 VAL MG2 . . 3.460 2.376 2.305 2.527 . 0 0 "[ . 1 . 2]" 1
779 1 70 VAL H 1 70 VAL MG1 . . 3.450 3.007 2.908 3.095 . 0 0 "[ . 1 . 2]" 1
780 1 69 LEU HB2 1 70 VAL H . . 5.060 4.418 4.101 4.541 . 0 0 "[ . 1 . 2]" 1
781 1 69 LEU HG 1 70 VAL H . . 5.450 4.926 4.391 5.285 . 0 0 "[ . 1 . 2]" 1
782 1 69 LEU HB3 1 70 VAL H . . 4.670 3.500 3.118 3.710 . 0 0 "[ . 1 . 2]" 1
783 1 71 LEU H 1 71 LEU HG . . 3.190 2.809 2.335 3.436 0.246 9 0 "[ . 1 . 2]" 1
784 1 70 VAL HB 1 71 LEU H . . 3.250 2.349 2.187 2.547 . 0 0 "[ . 1 . 2]" 1
785 1 70 VAL HA 1 71 LEU H . . 2.950 2.437 2.327 2.574 . 0 0 "[ . 1 . 2]" 1
786 1 71 LEU QD 1 72 ARG H . . 3.450 2.572 2.237 3.194 . 0 0 "[ . 1 . 2]" 1
787 1 71 LEU HB3 1 72 ARG H . . 3.990 3.635 3.563 3.722 . 0 0 "[ . 1 . 2]" 1
788 1 72 ARG H 1 72 ARG HB2 . . 3.220 3.161 2.945 3.506 0.286 16 0 "[ . 1 . 2]" 1
789 1 71 LEU QD 1 73 LEU H . . 3.540 3.788 3.267 4.516 0.976 18 5 "[ .- *1 ** + 2]" 1
790 1 72 ARG QG 1 73 LEU H . . 4.630 2.974 2.546 4.131 . 0 0 "[ . 1 . 2]" 1
791 1 73 LEU H 1 73 LEU HB2 . . 3.230 2.794 2.585 3.101 . 0 0 "[ . 1 . 2]" 1
792 1 72 ARG HB3 1 73 LEU H . . 4.270 3.943 3.602 4.351 0.081 16 0 "[ . 1 . 2]" 1
793 1 72 ARG HA 1 73 LEU H . . 2.690 2.281 2.177 2.367 . 0 0 "[ . 1 . 2]" 1
794 1 74 ARG H 1 74 ARG HB2 . . 2.910 2.550 2.394 2.785 . 0 0 "[ . 1 . 2]" 1
795 1 73 LEU HA 1 74 ARG H . . 2.580 2.251 2.032 2.332 . 0 0 "[ . 1 . 2]" 1
796 1 73 LEU HB3 1 75 GLY H . . 3.770 3.334 2.522 3.977 0.207 15 0 "[ . 1 . 2]" 1
797 1 74 ARG HB2 1 75 GLY H . . 3.440 3.428 2.944 4.047 0.607 17 1 "[ . 1 . + 2]" 1
798 1 75 GLY H 1 76 GLY H . . 3.620 2.956 2.767 3.323 . 0 0 "[ . 1 . 2]" 1
799 1 1 MET QG 1 2 GLN H . . 4.520 3.035 2.808 3.173 . 0 0 "[ . 1 . 2]" 1
800 1 2 GLN H 1 3 ILE H . . 4.560 4.429 4.346 4.526 . 0 0 "[ . 1 . 2]" 1
801 1 2 GLN QE 1 14 THR HB . . 4.940 4.961 4.486 7.798 2.858 4 2 "[ -+. 1 . 2]" 1
802 1 2 GLN QE 1 14 THR HA . . 5.500 4.763 4.168 7.052 1.552 4 1 "[ +. 1 . 2]" 1
803 1 2 GLN HB3 1 2 GLN QE . . 4.290 3.866 2.761 4.209 . 0 0 "[ . 1 . 2]" 1
804 1 2 GLN QE 1 4 PHE QE . . 5.500 3.053 2.434 4.526 . 0 0 "[ . 1 . 2]" 1
805 1 3 ILE H 1 15 LEU HB2 . . 4.900 3.731 3.544 3.879 . 0 0 "[ . 1 . 2]" 1
806 1 4 PHE H 1 12 THR MG . . 5.500 5.727 5.321 6.430 0.930 8 4 "[ * . +*1 . -]" 1
807 1 4 PHE H 1 64 GLU HA . . 4.710 4.399 4.149 4.706 . 0 0 "[ . 1 . 2]" 1
808 1 4 PHE H 1 14 THR HA . . 5.180 5.002 4.829 5.073 . 0 0 "[ . 1 . 2]" 1
809 1 4 PHE H 1 67 LEU H . . 5.020 3.759 3.566 4.148 . 0 0 "[ . 1 . 2]" 1
810 1 5 VAL H 1 5 VAL MG2 . . 3.540 2.919 2.721 3.030 . 0 0 "[ . 1 . 2]" 1
811 1 6 LYS H 1 12 THR HA . . 4.950 4.912 4.739 5.064 0.114 20 0 "[ . 1 . 2]" 1
812 1 7 THR MG 1 9 THR H . . 4.650 4.085 3.920 4.190 . 0 0 "[ . 1 . 2]" 1
813 1 9 THR HB 1 11 LYS H . . 5.500 4.026 3.644 4.531 . 0 0 "[ . 1 . 2]" 1
814 1 12 THR H 1 13 ILE H . . 4.980 4.323 4.243 4.405 . 0 0 "[ . 1 . 2]" 1
815 1 5 VAL HB 1 13 ILE H . . 5.040 3.747 3.447 4.004 . 0 0 "[ . 1 . 2]" 1
816 1 14 THR H 1 15 LEU HB2 . . 5.500 5.586 5.292 5.943 0.443 6 0 "[ . 1 . 2]" 1
817 1 13 ILE H 1 14 THR H . . 4.760 4.459 4.417 4.523 . 0 0 "[ . 1 . 2]" 1
818 1 2 GLN HB2 1 15 LEU H . . 5.250 3.615 3.185 5.522 0.272 10 0 "[ . 1 . 2]" 1
819 1 2 GLN QG 1 15 LEU H . . 4.770 5.125 2.951 5.675 0.905 6 6 "[ *.+* -1 * .* 2]" 1
820 1 3 ILE MD 1 15 LEU H . . 4.680 4.750 2.846 5.058 0.378 19 0 "[ . 1 . 2]" 1
821 1 3 ILE HA 1 15 LEU H . . 5.230 4.839 4.787 4.917 . 0 0 "[ . 1 . 2]" 1
822 1 15 LEU H 1 16 GLU HA . . 4.930 4.826 4.714 4.967 0.037 6 0 "[ . 1 . 2]" 1
823 1 2 GLN HA 1 15 LEU H . . 4.830 4.329 4.021 4.533 . 0 0 "[ . 1 . 2]" 1
824 1 16 GLU H 1 17 VAL H . . 4.540 4.317 4.186 4.418 . 0 0 "[ . 1 . 2]" 1
825 1 18 GLU H 1 56 LEU QD . . 3.480 2.980 2.602 3.304 . 0 0 "[ . 1 . 2]" 1
826 1 18 GLU H 1 26 VAL MG2 . . 4.700 4.465 4.052 4.898 0.198 16 0 "[ . 1 . 2]" 1
827 1 22 THR H 1 55 THR HA . . 5.070 4.546 4.339 4.690 . 0 0 "[ . 1 . 2]" 1
828 1 22 THR H 1 25 ASN H . . 4.470 3.918 3.751 4.180 . 0 0 "[ . 1 . 2]" 1
829 1 21 ASP H 1 22 THR H . . 4.910 4.560 4.489 4.625 . 0 0 "[ . 1 . 2]" 1
830 1 23 ILE H 1 55 THR MG . . 4.970 4.224 4.008 4.586 . 0 0 "[ . 1 . 2]" 1
831 1 23 ILE H 1 52 ASP HA . . 4.670 3.480 3.151 3.759 . 0 0 "[ . 1 . 2]" 1
832 1 23 ILE H 1 25 ASN H . . 5.320 4.440 4.252 4.579 . 0 0 "[ . 1 . 2]" 1
833 1 23 ILE H 1 56 LEU H . . 5.500 5.189 4.865 5.393 . 0 0 "[ . 1 . 2]" 1
834 1 25 ASN H 1 28 ALA MB . . 5.150 4.669 4.530 4.834 . 0 0 "[ . 1 . 2]" 1
835 1 25 ASN QD 1 26 VAL MG2 . . 5.280 4.957 4.581 5.214 . 0 0 "[ . 1 . 2]" 1
836 1 21 ASP QB 1 25 ASN QD . . 5.050 5.039 4.102 5.678 0.628 3 3 "[* + .- 1 . 2]" 1
837 1 23 ILE MD 1 26 VAL H . . 5.500 4.618 4.250 4.826 . 0 0 "[ . 1 . 2]" 1
838 1 24 GLU HA 1 27 LYS H . . 4.350 3.786 3.408 4.053 . 0 0 "[ . 1 . 2]" 1
839 1 27 LYS HB3 1 28 ALA H . . 4.800 3.338 3.127 3.445 . 0 0 "[ . 1 . 2]" 1
840 1 29 LYS H 1 30 ILE MG . . 4.850 4.659 4.554 4.755 . 0 0 "[ . 1 . 2]" 1
841 1 27 LYS HA 1 30 ILE H . . 4.800 3.747 3.250 3.995 . 0 0 "[ . 1 . 2]" 1
842 1 30 ILE MG 1 31 GLN H . . 4.300 4.290 4.236 4.339 0.039 8 0 "[ . 1 . 2]" 1
843 1 30 ILE MD 1 31 GLN H . . 4.590 4.234 4.106 4.317 . 0 0 "[ . 1 . 2]" 1
844 1 27 LYS HA 1 31 GLN H . . 5.170 5.181 4.627 5.329 0.159 9 0 "[ . 1 . 2]" 1
845 1 15 LEU QD 1 33 LYS H . . 4.940 4.101 3.594 4.510 . 0 0 "[ . 1 . 2]" 1
846 1 33 LYS H 1 33 LYS HD2 . . 5.500 4.537 3.555 5.240 . 0 0 "[ . 1 . 2]" 1
847 1 33 LYS H 1 33 LYS HD3 . . 5.500 4.734 3.268 5.260 . 0 0 "[ . 1 . 2]" 1
848 1 30 ILE HA 1 34 GLU H . . 5.050 4.224 4.037 4.456 . 0 0 "[ . 1 . 2]" 1
849 1 35 GLY H 1 36 ILE MG . . 4.990 3.924 3.572 4.271 . 0 0 "[ . 1 . 2]" 1
850 1 40 GLN HE21 1 71 LEU QD . . 5.500 4.924 4.312 5.867 0.367 16 0 "[ . 1 . 2]" 1
851 1 40 GLN HE22 1 71 LEU QD . . 5.500 5.055 4.644 5.611 0.111 16 0 "[ . 1 . 2]" 1
852 1 42 ARG H 1 42 ARG QD . . 5.500 5.097 4.873 5.447 . 0 0 "[ . 1 . 2]" 1
853 1 43 LEU H 1 44 ILE MD . . 4.960 4.283 3.944 5.031 0.071 16 0 "[ . 1 . 2]" 1
854 1 42 ARG QD 1 43 LEU H . . 4.830 4.648 4.174 5.014 0.184 4 0 "[ . 1 . 2]" 1
855 1 44 ILE H 1 68 HIS HB2 . . 4.770 4.071 3.772 4.950 0.180 14 0 "[ . 1 . 2]" 1
856 1 44 ILE HG12 1 45 PHE H . . 5.500 5.313 5.207 5.355 . 0 0 "[ . 1 . 2]" 1
857 1 44 ILE HG13 1 45 PHE H . . 5.500 5.448 5.365 5.541 0.041 4 0 "[ . 1 . 2]" 1
858 1 45 PHE H 1 49 GLN H . . 5.170 5.036 4.931 5.061 . 0 0 "[ . 1 . 2]" 1
859 1 44 ILE H 1 45 PHE H . . 4.670 4.424 4.383 4.472 . 0 0 "[ . 1 . 2]" 1
860 1 46 ALA H 1 47 GLY HA3 . . 5.430 5.486 5.408 5.542 0.112 18 0 "[ . 1 . 2]" 1
861 1 46 ALA H 1 47 GLY HA2 . . 5.430 5.151 5.029 5.232 . 0 0 "[ . 1 . 2]" 1
862 1 46 ALA H 1 67 LEU HA . . 4.820 3.976 3.624 4.318 . 0 0 "[ . 1 . 2]" 1
863 1 45 PHE QE 1 46 ALA H . . 4.840 4.408 4.100 4.668 . 0 0 "[ . 1 . 2]" 1
864 1 46 ALA H 1 68 HIS H . . 4.890 4.936 4.707 5.070 0.180 19 0 "[ . 1 . 2]" 1
865 1 48 LYS H 1 50 LEU MD2 . . 5.000 4.549 4.189 4.927 . 0 0 "[ . 1 . 2]" 1
866 1 48 LYS H 1 50 LEU MD1 . . 5.500 5.818 5.566 6.047 0.547 2 1 "[ + . 1 . 2]" 1
867 1 46 ALA HA 1 48 LYS H . . 4.970 4.367 4.277 4.431 . 0 0 "[ . 1 . 2]" 1
868 1 44 ILE HA 1 48 LYS H . . 4.920 4.973 4.816 5.061 0.141 18 0 "[ . 1 . 2]" 1
869 1 48 LYS QE 1 49 GLN H . . 5.500 4.255 3.285 5.028 . 0 0 "[ . 1 . 2]" 1
870 1 44 ILE HA 1 49 GLN H . . 5.210 4.951 4.755 5.056 . 0 0 "[ . 1 . 2]" 1
871 1 48 LYS QG 1 49 GLN QE . . 5.090 4.901 3.594 5.666 0.576 1 1 "[+ . 1 . 2]" 1
872 1 48 LYS QE 1 49 GLN QE . . 4.080 5.325 4.010 6.546 2.466 16 17 "[* ************+*- *]" 1
873 1 50 LEU H 1 51 GLU HB3 . . 5.500 4.997 4.622 5.276 . 0 0 "[ . 1 . 2]" 1
874 1 44 ILE HA 1 50 LEU H . . 4.000 2.874 2.715 3.067 . 0 0 "[ . 1 . 2]" 1
875 1 49 GLN H 1 50 LEU H . . 5.140 4.611 4.554 4.651 . 0 0 "[ . 1 . 2]" 1
876 1 50 LEU H 1 51 GLU H . . 5.500 4.476 4.441 4.538 . 0 0 "[ . 1 . 2]" 1
877 1 50 LEU HB2 1 51 GLU H . . 4.760 3.572 3.372 4.027 . 0 0 "[ . 1 . 2]" 1
878 1 50 LEU HB3 1 51 GLU H . . 4.590 2.747 2.575 3.102 . 0 0 "[ . 1 . 2]" 1
879 1 51 GLU H 1 52 ASP H . . 4.460 4.278 4.221 4.346 . 0 0 "[ . 1 . 2]" 1
880 1 23 ILE MD 1 54 ARG H . . 5.020 5.421 5.135 5.785 0.765 4 6 "[ +* * * *.- 2]" 1
881 1 23 ILE MG 1 54 ARG H . . 5.500 5.155 4.845 5.480 . 0 0 "[ . 1 . 2]" 1
882 1 54 ARG H 1 55 THR MG . . 5.050 4.972 4.758 5.125 0.075 17 0 "[ . 1 . 2]" 1
883 1 23 ILE HB 1 54 ARG H . . 4.610 3.911 3.601 4.236 . 0 0 "[ . 1 . 2]" 1
884 1 54 ARG H 1 54 ARG QD . . 4.860 4.400 3.252 5.039 0.179 2 0 "[ . 1 . 2]" 1
885 1 54 ARG QG 1 55 THR H . . 4.710 3.581 3.148 4.423 . 0 0 "[ . 1 . 2]" 1
886 1 19 PRO HA 1 56 LEU H . . 4.810 4.353 3.911 4.730 . 0 0 "[ . 1 . 2]" 1
887 1 20 SER HA 1 57 SER H . . 4.580 3.746 3.439 4.011 . 0 0 "[ . 1 . 2]" 1
888 1 55 THR HB 1 58 ASP H . . 4.570 4.132 3.813 4.296 . 0 0 "[ . 1 . 2]" 1
889 1 58 ASP H 1 60 ASN H . . 4.180 3.823 3.552 4.015 . 0 0 "[ . 1 . 2]" 1
890 1 56 LEU QD 1 59 TYR H . . 5.500 5.424 5.144 5.650 0.150 3 0 "[ . 1 . 2]" 1
891 1 59 TYR H 1 59 TYR QE . . 5.500 4.733 4.492 4.927 . 0 0 "[ . 1 . 2]" 1
892 1 60 ASN QD 1 61 ILE H . . 5.500 5.637 5.175 5.966 0.466 6 0 "[ . 1 . 2]" 1
893 1 56 LEU QD 1 61 ILE H . . 4.630 4.199 3.861 4.423 . 0 0 "[ . 1 . 2]" 1
894 1 56 LEU HB3 1 61 ILE H . . 4.780 3.673 3.323 4.224 . 0 0 "[ . 1 . 2]" 1
895 1 59 TYR HB3 1 61 ILE H . . 4.730 4.389 4.180 4.580 . 0 0 "[ . 1 . 2]" 1
896 1 60 ASN HB2 1 61 ILE H . . 4.810 4.629 4.592 4.664 . 0 0 "[ . 1 . 2]" 1
897 1 56 LEU HA 1 61 ILE H . . 5.010 3.662 3.415 3.975 . 0 0 "[ . 1 . 2]" 1
898 1 57 SER HA 1 61 ILE H . . 4.540 3.629 3.103 4.117 . 0 0 "[ . 1 . 2]" 1
899 1 61 ILE HG12 1 62 GLN H . . 4.920 4.536 4.363 4.685 . 0 0 "[ . 1 . 2]" 1
900 1 61 ILE HB 1 62 GLN H . . 4.810 4.319 4.187 4.387 . 0 0 "[ . 1 . 2]" 1
901 1 62 GLN H 1 65 SER HB3 . . 5.130 3.320 2.890 4.388 . 0 0 "[ . 1 . 2]" 1
902 1 45 PHE QE 1 62 GLN H . . 4.900 3.914 3.167 4.497 . 0 0 "[ . 1 . 2]" 1
903 1 60 ASN HA 1 62 GLN HE22 . . 4.730 3.247 2.859 3.902 . 0 0 "[ . 1 . 2]" 1
904 1 61 ILE MG 1 63 LYS H . . 5.300 5.194 5.055 5.368 0.068 1 0 "[ . 1 . 2]" 1
905 1 56 LEU QD 1 63 LYS H . . 5.500 5.299 4.751 5.774 0.274 10 0 "[ . 1 . 2]" 1
906 1 63 LYS H 1 63 LYS HE2 . . 5.240 4.659 4.326 5.200 . 0 0 "[ . 1 . 2]" 1
907 1 63 LYS H 1 63 LYS HE3 . . 5.240 5.416 4.866 5.765 0.525 9 2 "[ . +1 . - 2]" 1
908 1 62 GLN H 1 63 LYS H . . 4.770 4.531 4.453 4.590 . 0 0 "[ . 1 . 2]" 1
909 1 63 LYS H 1 64 GLU H . . 4.680 4.644 4.614 4.689 0.009 16 0 "[ . 1 . 2]" 1
910 1 63 LYS HD2 1 64 GLU H . . 5.500 4.710 4.293 4.955 . 0 0 "[ . 1 . 2]" 1
911 1 63 LYS HD3 1 64 GLU H . . 5.500 5.537 5.163 5.737 0.237 4 0 "[ . 1 . 2]" 1
912 1 64 GLU H 1 64 GLU HG2 . . 5.310 4.320 4.147 4.540 . 0 0 "[ . 1 . 2]" 1
913 1 64 GLU H 1 64 GLU HG3 . . 5.310 3.289 3.107 3.543 . 0 0 "[ . 1 . 2]" 1
914 1 4 PHE QE 1 64 GLU H . . 5.500 5.430 4.842 6.480 0.980 19 1 "[ . 1 . +2]" 1
915 1 3 ILE HB 1 65 SER H . . 4.600 3.479 3.149 3.966 . 0 0 "[ . 1 . 2]" 1
916 1 64 GLU HB2 1 65 SER H . . 4.990 4.447 4.327 4.547 . 0 0 "[ . 1 . 2]" 1
917 1 64 GLU HB3 1 65 SER H . . 4.920 4.508 4.452 4.533 . 0 0 "[ . 1 . 2]" 1
918 1 4 PHE H 1 65 SER H . . 4.940 3.851 3.658 4.129 . 0 0 "[ . 1 . 2]" 1
919 1 61 ILE MG 1 66 THR H . . 5.330 5.200 4.958 5.607 0.277 2 0 "[ . 1 . 2]" 1
920 1 4 PHE HB2 1 67 LEU H . . 5.140 3.839 3.687 4.042 . 0 0 "[ . 1 . 2]" 1
921 1 44 ILE HG12 1 68 HIS H . . 5.500 4.739 4.525 5.313 . 0 0 "[ . 1 . 2]" 1
922 1 44 ILE HG13 1 68 HIS H . . 5.500 5.307 5.091 5.903 0.403 12 0 "[ . 1 . 2]" 1
923 1 43 LEU HA 1 68 HIS H . . 5.500 4.703 4.532 4.977 . 0 0 "[ . 1 . 2]" 1
924 1 69 LEU H 1 70 VAL H . . 5.220 4.331 4.248 4.428 . 0 0 "[ . 1 . 2]" 1
925 1 44 ILE MG 1 70 VAL H . . 5.460 5.835 5.557 6.166 0.706 8 5 "[ *. + 1 * .- * 2]" 1
926 1 72 ARG H 1 72 ARG HD2 . . 5.500 4.751 4.259 5.712 0.212 16 0 "[ . 1 . 2]" 1
927 1 72 ARG H 1 72 ARG HD3 . . 5.500 5.560 4.902 6.396 0.896 16 2 "[ - . 1 .+ 2]" 1
928 1 74 ARG H 1 74 ARG HD2 . . 5.500 3.833 3.471 4.291 . 0 0 "[ . 1 . 2]" 1
929 1 74 ARG H 1 74 ARG HD3 . . 5.500 4.880 4.440 5.352 . 0 0 "[ . 1 . 2]" 1
930 1 73 LEU HB3 1 76 GLY H . . 5.500 3.896 2.887 5.225 . 0 0 "[ . 1 . 2]" 1
931 1 74 ARG HB2 1 76 GLY H . . 5.230 5.132 4.927 5.273 0.043 10 0 "[ . 1 . 2]" 1
932 1 74 ARG HB3 1 76 GLY H . . 5.500 4.854 4.458 5.122 . 0 0 "[ . 1 . 2]" 1
933 1 74 ARG HA 1 76 GLY H . . 4.600 3.244 2.720 3.605 . 0 0 "[ . 1 . 2]" 1
934 1 3 ILE H 1 3 ILE QG . . 3.800 2.465 2.349 2.601 . 0 0 "[ . 1 . 2]" 1
935 1 3 ILE HA 1 67 LEU QD . . 5.440 4.282 3.972 4.632 . 0 0 "[ . 1 . 2]" 1
936 1 3 ILE HB 1 67 LEU QD . . 4.280 2.543 2.273 2.895 . 0 0 "[ . 1 . 2]" 1
937 1 3 ILE QG 1 4 PHE H . . 4.410 3.486 3.270 4.166 . 0 0 "[ . 1 . 2]" 1
938 1 3 ILE QG 1 15 LEU H . . 4.750 3.281 3.035 3.488 . 0 0 "[ . 1 . 2]" 1
939 1 3 ILE QG 1 17 VAL QG . . 3.900 2.147 1.927 2.585 . 0 0 "[ . 1 . 2]" 1
940 1 4 PHE H 1 4 PHE QB . . 3.500 2.571 2.499 2.643 . 0 0 "[ . 1 . 2]" 1
941 1 4 PHE H 1 67 LEU QD . . 3.990 3.196 2.918 3.416 . 0 0 "[ . 1 . 2]" 1
942 1 4 PHE QB 1 5 VAL H . . 3.590 2.713 2.620 2.778 . 0 0 "[ . 1 . 2]" 1
943 1 4 PHE QB 1 12 THR MG . . 3.130 2.605 2.242 3.195 0.065 8 0 "[ . 1 . 2]" 1
944 1 4 PHE QB 1 66 THR HA . . 4.350 2.287 2.146 2.428 . 0 0 "[ . 1 . 2]" 1
945 1 4 PHE QB 1 66 THR MG . . 4.100 2.403 2.090 3.011 . 0 0 "[ . 1 . 2]" 1
946 1 4 PHE QB 1 67 LEU H . . 4.260 3.683 3.546 3.861 . 0 0 "[ . 1 . 2]" 1
947 1 4 PHE QE 1 64 GLU QG . . 4.290 3.192 2.363 4.272 . 0 0 "[ . 1 . 2]" 1
948 1 5 VAL H 1 13 ILE QG . . 4.500 3.972 3.735 4.441 . 0 0 "[ . 1 . 2]" 1
949 1 5 VAL HB 1 13 ILE QG . . 4.290 2.974 2.653 3.755 . 0 0 "[ . 1 . 2]" 1
950 1 5 VAL MG1 1 13 ILE QG . . 5.150 3.700 3.276 4.306 . 0 0 "[ . 1 . 2]" 1
951 1 5 VAL MG2 1 13 ILE QG . . 5.180 4.126 3.867 4.810 . 0 0 "[ . 1 . 2]" 1
952 1 6 LYS HA 1 6 LYS QD . . 4.320 2.288 2.100 2.582 . 0 0 "[ . 1 . 2]" 1
953 1 6 LYS HB2 1 6 LYS QD . . 3.170 2.857 2.268 3.227 0.057 12 0 "[ . 1 . 2]" 1
954 1 6 LYS HB2 1 6 LYS QE . . 3.730 2.327 2.085 3.953 0.223 9 0 "[ . 1 . 2]" 1
955 1 6 LYS QD 1 7 THR H . . 4.430 3.072 2.375 4.058 . 0 0 "[ . 1 . 2]" 1
956 1 6 LYS QD 1 12 THR HA . . 4.330 3.269 2.384 4.247 . 0 0 "[ . 1 . 2]" 1
957 1 6 LYS QD 1 66 THR MG . . 4.770 4.802 3.022 5.799 1.029 16 5 "[ * . 1*- *+ 2]" 1
958 1 7 THR HA 1 69 LEU QD . . 3.670 2.226 2.005 2.737 . 0 0 "[ . 1 . 2]" 1
959 1 7 THR MG 1 69 LEU QD . . 3.060 2.321 2.011 2.711 . 0 0 "[ . 1 . 2]" 1
960 1 8 LEU H 1 8 LEU QD . . 3.860 2.080 1.883 2.324 . 0 0 "[ . 1 . 2]" 1
961 1 8 LEU H 1 69 LEU QD . . 4.050 3.550 2.538 4.216 0.166 11 0 "[ . 1 . 2]" 1
962 1 8 LEU HA 1 8 LEU QD . . 3.460 3.437 3.401 3.470 0.010 20 0 "[ . 1 . 2]" 1
963 1 8 LEU QB 1 8 LEU QD . . 2.640 1.977 1.956 2.005 . 0 0 "[ . 1 . 2]" 1
964 1 8 LEU QB 1 9 THR MG . . 4.590 4.244 4.030 4.466 . 0 0 "[ . 1 . 2]" 1
965 1 8 LEU QB 1 71 LEU QD . . 3.580 3.084 2.731 3.313 . 0 0 "[ . 1 . 2]" 1
966 1 8 LEU QD 1 9 THR H . . 4.620 2.485 2.194 2.791 . 0 0 "[ . 1 . 2]" 1
967 1 8 LEU QD 1 9 THR HB . . 4.860 4.425 4.186 4.679 . 0 0 "[ . 1 . 2]" 1
968 1 8 LEU QD 1 9 THR MG . . 4.020 2.189 1.988 2.416 . 0 0 "[ . 1 . 2]" 1
969 1 8 LEU QD 1 41 ASN QD . . 4.030 3.464 2.567 4.319 0.289 8 0 "[ . 1 . 2]" 1
970 1 8 LEU QD 1 70 VAL HA . . 4.440 4.039 3.604 4.563 0.123 2 0 "[ . 1 . 2]" 1
971 1 8 LEU QD 1 71 LEU H . . 4.440 4.511 4.130 5.083 0.643 2 1 "[ + . 1 . 2]" 1
972 1 8 LEU QD 1 71 LEU HG . . 3.990 4.211 3.997 4.436 0.446 16 0 "[ . 1 . 2]" 1
973 1 9 THR H 1 10 GLY QA . . 4.950 4.240 4.040 4.336 . 0 0 "[ . 1 . 2]" 1
974 1 11 LYS H 1 11 LYS QG . . 4.400 3.036 2.323 3.672 . 0 0 "[ . 1 . 2]" 1
975 1 11 LYS H 1 11 LYS QE . . 5.340 5.090 4.795 5.270 . 0 0 "[ . 1 . 2]" 1
976 1 11 LYS HA 1 11 LYS QD . . 4.180 2.610 2.280 3.945 . 0 0 "[ . 1 . 2]" 1
977 1 11 LYS HB2 1 11 LYS QE . . 4.560 3.569 2.940 3.792 . 0 0 "[ . 1 . 2]" 1
978 1 11 LYS HB3 1 11 LYS QE . . 4.140 2.136 1.997 2.378 . 0 0 "[ . 1 . 2]" 1
979 1 11 LYS HB3 1 13 ILE QG . . 3.940 3.987 3.532 4.284 0.344 3 0 "[ . 1 . 2]" 1
980 1 11 LYS QG 1 12 THR H . . 4.250 4.018 3.590 4.442 0.192 6 0 "[ . 1 . 2]" 1
981 1 11 LYS QD 1 12 THR H . . 4.550 3.098 1.960 4.163 . 0 0 "[ . 1 . 2]" 1
982 1 11 LYS QE 1 12 THR HA . . 4.600 5.070 4.288 6.085 1.485 18 10 "[ * .* **- * .**+*2]" 1
983 1 12 THR H 1 13 ILE QG . . 4.560 4.639 4.248 4.969 0.409 14 0 "[ . 1 . 2]" 1
984 1 13 ILE MG 1 33 LYS QB . . 3.730 2.452 2.035 3.126 . 0 0 "[ . 1 . 2]" 1
985 1 13 ILE MG 1 33 LYS QD . . 4.740 2.819 2.071 4.023 . 0 0 "[ . 1 . 2]" 1
986 1 13 ILE MG 1 34 GLU QB . . 4.880 3.938 3.328 4.157 . 0 0 "[ . 1 . 2]" 1
987 1 13 ILE QG 1 14 THR H . . 5.340 4.636 4.517 4.775 . 0 0 "[ . 1 . 2]" 1
988 1 13 ILE MD 1 34 GLU QB . . 3.800 2.430 2.144 2.657 . 0 0 "[ . 1 . 2]" 1
989 1 13 ILE MD 1 34 GLU QG . . 4.540 3.260 2.721 3.698 . 0 0 "[ . 1 . 2]" 1
990 1 15 LEU QD 1 29 LYS QB . . 3.640 1.839 1.774 1.890 . 0 0 "[ . 1 . 2]" 1
991 1 15 LEU QD 1 29 LYS QD . . 4.300 2.357 2.000 2.908 . 0 0 "[ . 1 . 2]" 1
992 1 15 LEU QD 1 33 LYS QB . . 4.020 3.189 2.339 3.779 . 0 0 "[ . 1 . 2]" 1
993 1 15 LEU QD 1 33 LYS QG . . 4.730 2.882 2.071 4.500 . 0 0 "[ . 1 . 2]" 1
994 1 15 LEU QD 1 33 LYS QD . . 4.000 2.739 2.090 3.876 . 0 0 "[ . 1 . 2]" 1
995 1 15 LEU QD 1 33 LYS QE . . 4.050 2.683 2.076 4.004 . 0 0 "[ . 1 . 2]" 1
996 1 17 VAL QG 1 29 LYS QD . . 4.060 2.579 2.164 2.933 . 0 0 "[ . 1 . 2]" 1
997 1 18 GLU H 1 18 GLU QG . . 4.250 2.458 2.302 2.761 . 0 0 "[ . 1 . 2]" 1
998 1 18 GLU H 1 19 PRO QD . . 4.950 4.392 4.347 4.433 . 0 0 "[ . 1 . 2]" 1
999 1 18 GLU HA 1 19 PRO QD . . 3.450 2.138 2.083 2.209 . 0 0 "[ . 1 . 2]" 1
1000 1 18 GLU QB 1 19 PRO QD . . 4.520 2.164 2.012 2.287 . 0 0 "[ . 1 . 2]" 1
1001 1 18 GLU QG 1 21 ASP H . . 5.020 2.815 2.429 3.215 . 0 0 "[ . 1 . 2]" 1
1002 1 19 PRO QD 1 20 SER H . . 3.730 2.847 2.627 3.028 . 0 0 "[ . 1 . 2]" 1
1003 1 23 ILE H 1 23 ILE QG . . 3.600 2.264 2.109 2.399 . 0 0 "[ . 1 . 2]" 1
1004 1 23 ILE MG 1 27 LYS QD . . 4.480 3.118 2.724 3.628 . 0 0 "[ . 1 . 2]" 1
1005 1 23 ILE MG 1 27 LYS QE . . 4.760 3.527 2.648 4.350 . 0 0 "[ . 1 . 2]" 1
1006 1 23 ILE QG 1 26 VAL HB . . 4.230 4.854 4.587 5.134 0.904 2 16 "[*+ ******-* **** **]" 1
1007 1 23 ILE QG 1 50 LEU MD1 . . 4.930 3.417 3.005 3.794 . 0 0 "[ . 1 . 2]" 1
1008 1 23 ILE QG 1 55 THR H . . 4.830 4.612 4.195 4.782 . 0 0 "[ . 1 . 2]" 1
1009 1 23 ILE QG 1 59 TYR QE . . 4.540 2.037 1.969 2.159 . 0 0 "[ . 1 . 2]" 1
1010 1 26 VAL HA 1 29 LYS QB . . 4.360 2.781 2.446 3.124 . 0 0 "[ . 1 . 2]" 1
1011 1 26 VAL HA 1 29 LYS QD . . 4.290 2.691 2.093 3.648 . 0 0 "[ . 1 . 2]" 1
1012 1 27 LYS H 1 27 LYS QB . . 3.430 2.194 2.150 2.263 . 0 0 "[ . 1 . 2]" 1
1013 1 27 LYS H 1 27 LYS QG . . 4.120 3.944 3.870 4.004 . 0 0 "[ . 1 . 2]" 1
1014 1 27 LYS QB 1 28 ALA H . . 4.140 3.212 3.034 3.291 . 0 0 "[ . 1 . 2]" 1
1015 1 27 LYS QB 1 30 ILE MD . . 5.040 3.797 3.700 3.964 . 0 0 "[ . 1 . 2]" 1
1016 1 28 ALA HA 1 31 GLN QE . . 4.520 3.779 2.253 5.250 0.730 2 1 "[ + . 1 . 2]" 1
1017 1 29 LYS H 1 29 LYS QB . . 3.160 2.409 2.334 2.586 . 0 0 "[ . 1 . 2]" 1
1018 1 29 LYS HA 1 29 LYS QD . . 4.890 4.015 3.873 4.140 . 0 0 "[ . 1 . 2]" 1
1019 1 29 LYS HA 1 32 ASP QB . . 3.830 2.780 2.488 2.958 . 0 0 "[ . 1 . 2]" 1
1020 1 29 LYS QB 1 30 ILE H . . 3.590 2.706 2.630 2.834 . 0 0 "[ . 1 . 2]" 1
1021 1 30 ILE HA 1 33 LYS QB . . 4.830 2.885 2.239 3.873 . 0 0 "[ . 1 . 2]" 1
1022 1 31 GLN QE 1 38 PRO QG . . 5.180 2.923 2.022 3.784 . 0 0 "[ . 1 . 2]" 1
1023 1 31 GLN QE 1 38 PRO QD . . 4.670 2.515 1.816 3.526 . 0 0 "[ . 1 . 2]" 1
1024 1 32 ASP H 1 32 ASP QB . . 3.050 2.155 2.076 2.247 . 0 0 "[ . 1 . 2]" 1
1025 1 32 ASP QB 1 33 LYS H . . 4.070 2.923 2.738 3.170 . 0 0 "[ . 1 . 2]" 1
1026 1 33 LYS H 1 33 LYS QB . . 3.420 2.327 2.126 2.799 . 0 0 "[ . 1 . 2]" 1
1027 1 33 LYS H 1 33 LYS QG . . 4.290 2.926 2.414 4.093 . 0 0 "[ . 1 . 2]" 1
1028 1 33 LYS HA 1 33 LYS QD . . 3.860 3.287 2.095 3.959 0.099 18 0 "[ . 1 . 2]" 1
1029 1 33 LYS QB 1 33 LYS QD . . 3.280 2.199 2.064 2.507 . 0 0 "[ . 1 . 2]" 1
1030 1 33 LYS QB 1 34 GLU H . . 3.750 3.298 3.125 3.550 . 0 0 "[ . 1 . 2]" 1
1031 1 33 LYS QD 1 33 LYS QG . . 2.370 2.116 2.108 2.125 . 0 0 "[ . 1 . 2]" 1
1032 1 33 LYS QE 1 33 LYS QG . . 3.170 2.292 2.078 2.484 . 0 0 "[ . 1 . 2]" 1
1033 1 34 GLU H 1 34 GLU QG . . 4.480 4.278 4.148 4.389 . 0 0 "[ . 1 . 2]" 1
1034 1 34 GLU QB 1 36 ILE MG . . 5.230 3.375 2.993 3.807 . 0 0 "[ . 1 . 2]" 1
1035 1 34 GLU QB 1 36 ILE MD . . 4.820 2.715 2.492 2.914 . 0 0 "[ . 1 . 2]" 1
1036 1 34 GLU QG 1 36 ILE MG . . 5.340 2.749 2.286 3.349 . 0 0 "[ . 1 . 2]" 1
1037 1 35 GLY QA 1 36 ILE MG . . 4.550 3.876 3.695 4.018 . 0 0 "[ . 1 . 2]" 1
1038 1 36 ILE MG 1 37 PRO QD . . 3.750 3.390 3.296 3.503 . 0 0 "[ . 1 . 2]" 1
1039 1 36 ILE MG 1 41 ASN QD . . 3.930 3.088 2.566 3.530 . 0 0 "[ . 1 . 2]" 1
1040 1 37 PRO QB 1 38 PRO QD . . 4.230 2.222 2.095 2.473 . 0 0 "[ . 1 . 2]" 1
1041 1 38 PRO QB 1 39 ASP H . . 4.020 4.075 4.040 4.098 0.078 13 0 "[ . 1 . 2]" 1
1042 1 39 ASP H 1 39 ASP QB . . 3.670 2.658 2.502 2.850 . 0 0 "[ . 1 . 2]" 1
1043 1 40 GLN H 1 40 GLN QG . . 4.860 3.118 2.964 4.133 . 0 0 "[ . 1 . 2]" 1
1044 1 40 GLN HA 1 40 GLN QG . . 3.610 3.179 2.605 3.388 . 0 0 "[ . 1 . 2]" 1
1045 1 40 GLN QG 1 73 LEU QD . . 4.850 2.918 2.183 3.487 . 0 0 "[ . 1 . 2]" 1
1046 1 40 GLN QE 1 73 LEU QD . . 4.850 3.762 2.554 5.232 0.382 15 0 "[ . 1 . 2]" 1
1047 1 41 ASN QB 1 42 ARG H . . 3.770 3.400 3.015 3.852 0.082 13 0 "[ . 1 . 2]" 1
1048 1 41 ASN QB 1 69 LEU QD . . 5.280 3.404 2.313 4.206 . 0 0 "[ . 1 . 2]" 1
1049 1 41 ASN QD 1 69 LEU QD . . 4.190 3.507 1.808 4.621 0.431 17 0 "[ . 1 . 2]" 1
1050 1 42 ARG H 1 42 ARG QG . . 4.740 4.140 4.033 4.258 . 0 0 "[ . 1 . 2]" 1
1051 1 42 ARG QB 1 43 LEU H . . 3.860 3.722 3.601 3.794 . 0 0 "[ . 1 . 2]" 1
1052 1 42 ARG QB 1 70 VAL MG2 . . 4.420 2.776 2.219 3.281 . 0 0 "[ . 1 . 2]" 1
1053 1 42 ARG QG 1 70 VAL MG2 . . 4.000 3.622 2.761 4.254 0.254 17 0 "[ . 1 . 2]" 1
1054 1 43 LEU H 1 43 LEU QD . . 4.650 3.681 3.119 3.768 . 0 0 "[ . 1 . 2]" 1
1055 1 43 LEU HA 1 43 LEU QD . . 3.380 2.156 1.955 2.237 . 0 0 "[ . 1 . 2]" 1
1056 1 43 LEU HB2 1 67 LEU QD . . 5.440 4.603 4.545 4.748 . 0 0 "[ . 1 . 2]" 1
1057 1 43 LEU HB3 1 67 LEU QD . . 5.440 4.193 3.504 4.437 . 0 0 "[ . 1 . 2]" 1
1058 1 43 LEU HG 1 67 LEU QD . . 4.300 2.330 2.161 3.598 . 0 0 "[ . 1 . 2]" 1
1059 1 43 LEU QD 1 44 ILE H . . 3.580 2.695 2.328 2.848 . 0 0 "[ . 1 . 2]" 1
1060 1 43 LEU QD 1 69 LEU H . . 5.440 4.665 4.378 4.949 . 0 0 "[ . 1 . 2]" 1
1061 1 44 ILE H 1 44 ILE QG . . 3.540 2.711 2.617 2.926 . 0 0 "[ . 1 . 2]" 1
1062 1 44 ILE H 1 67 LEU QD . . 4.770 3.956 3.711 4.420 . 0 0 "[ . 1 . 2]" 1
1063 1 44 ILE H 1 69 LEU QD . . 4.380 3.913 3.144 4.700 0.320 2 0 "[ . 1 . 2]" 1
1064 1 44 ILE QG 1 44 ILE MG . . 3.240 2.288 2.250 2.350 . 0 0 "[ . 1 . 2]" 1
1065 1 44 ILE MG 1 47 GLY QA . . 3.610 2.407 2.281 2.604 . 0 0 "[ . 1 . 2]" 1
1066 1 44 ILE QG 1 68 HIS HB2 . . 4.780 3.778 3.295 4.711 . 0 0 "[ . 1 . 2]" 1
1067 1 44 ILE QG 1 68 HIS HB3 . . 4.710 3.738 3.277 4.747 0.037 12 0 "[ . 1 . 2]" 1
1068 1 44 ILE QG 1 70 VAL H . . 4.910 3.236 2.942 3.577 . 0 0 "[ . 1 . 2]" 1
1069 1 44 ILE QG 1 70 VAL MG2 . . 3.740 2.059 1.975 2.162 . 0 0 "[ . 1 . 2]" 1
1070 1 44 ILE MD 1 49 GLN QB . . 4.190 2.892 2.322 3.486 . 0 0 "[ . 1 . 2]" 1
1071 1 45 PHE HA 1 67 LEU QD . . 4.600 3.680 3.276 4.228 . 0 0 "[ . 1 . 2]" 1
1072 1 45 PHE HB2 1 67 LEU QD . . 3.700 2.511 2.065 2.933 . 0 0 "[ . 1 . 2]" 1
1073 1 45 PHE HB3 1 67 LEU QD . . 4.440 3.716 3.332 4.025 . 0 0 "[ . 1 . 2]" 1
1074 1 45 PHE QD 1 67 LEU QD . . 3.610 2.889 2.652 3.292 . 0 0 "[ . 1 . 2]" 1
1075 1 45 PHE QE 1 67 LEU QD . . 4.710 3.669 3.386 4.043 . 0 0 "[ . 1 . 2]" 1
1076 1 46 ALA H 1 47 GLY QA . . 4.690 4.722 4.628 4.782 0.092 18 0 "[ . 1 . 2]" 1
1077 1 46 ALA H 1 67 LEU QD . . 5.090 4.993 4.630 5.558 0.468 12 0 "[ . 1 . 2]" 1
1078 1 49 GLN H 1 49 GLN QB . . 2.860 2.530 2.212 2.749 . 0 0 "[ . 1 . 2]" 1
1079 1 49 GLN H 1 49 GLN QG . . 3.740 3.029 2.726 3.624 . 0 0 "[ . 1 . 2]" 1
1080 1 49 GLN QB 1 49 GLN QE . . 3.950 3.597 2.326 3.819 . 0 0 "[ . 1 . 2]" 1
1081 1 49 GLN QB 1 50 LEU H . . 4.210 3.071 2.933 3.268 . 0 0 "[ . 1 . 2]" 1
1082 1 49 GLN QE 1 49 GLN QG . . 3.000 2.264 2.177 2.643 . 0 0 "[ . 1 . 2]" 1
1083 1 49 GLN QG 1 50 LEU H . . 4.600 4.296 3.842 4.490 . 0 0 "[ . 1 . 2]" 1
1084 1 50 LEU MD1 1 67 LEU QD . . 2.980 2.139 1.964 2.239 . 0 0 "[ . 1 . 2]" 1
1085 1 50 LEU MD2 1 67 LEU QD . . 4.320 4.010 3.606 4.191 . 0 0 "[ . 1 . 2]" 1
1086 1 60 ASN HA 1 62 GLN QE . . 3.880 2.942 2.698 3.331 . 0 0 "[ . 1 . 2]" 1
1087 1 60 ASN HB2 1 62 GLN QE . . 4.970 4.234 3.920 4.430 . 0 0 "[ . 1 . 2]" 1
1088 1 60 ASN HB3 1 62 GLN QE . . 4.290 4.164 3.727 4.635 0.345 12 0 "[ . 1 . 2]" 1
1089 1 60 ASN QD 1 62 GLN QE . . 5.340 3.436 2.467 3.907 . 0 0 "[ . 1 . 2]" 1
1090 1 61 ILE HA 1 62 GLN QE . . 4.990 3.942 3.329 4.768 . 0 0 "[ . 1 . 2]" 1
1091 1 61 ILE MG 1 67 LEU QD . . 3.100 2.340 2.172 2.630 . 0 0 "[ . 1 . 2]" 1
1092 1 61 ILE HG13 1 67 LEU QD . . 5.440 4.532 4.109 4.892 . 0 0 "[ . 1 . 2]" 1
1093 1 62 GLN H 1 62 GLN QG . . 3.330 2.587 2.259 2.809 . 0 0 "[ . 1 . 2]" 1
1094 1 62 GLN H 1 62 GLN QE . . 4.580 3.687 3.136 4.289 . 0 0 "[ . 1 . 2]" 1
1095 1 62 GLN HA 1 62 GLN QG . . 3.610 3.103 2.949 3.196 . 0 0 "[ . 1 . 2]" 1
1096 1 62 GLN HA 1 62 GLN QE . . 4.860 3.335 3.004 3.544 . 0 0 "[ . 1 . 2]" 1
1097 1 62 GLN QE 1 62 GLN QG . . 3.040 2.194 2.147 2.244 . 0 0 "[ . 1 . 2]" 1
1098 1 62 GLN QG 1 63 LYS H . . 4.510 4.213 4.140 4.351 . 0 0 "[ . 1 . 2]" 1
1099 1 63 LYS H 1 63 LYS QG . . 3.480 2.252 2.076 2.425 . 0 0 "[ . 1 . 2]" 1
1100 1 63 LYS H 1 63 LYS QE . . 4.480 4.393 4.132 4.701 0.221 5 0 "[ . 1 . 2]" 1
1101 1 63 LYS HB2 1 63 LYS QD . . 3.700 2.369 2.209 2.463 . 0 0 "[ . 1 . 2]" 1
1102 1 63 LYS HB3 1 63 LYS QD . . 3.630 2.370 2.286 2.463 . 0 0 "[ . 1 . 2]" 1
1103 1 63 LYS QG 1 64 GLU H . . 4.970 3.559 3.379 3.755 . 0 0 "[ . 1 . 2]" 1
1104 1 64 GLU H 1 64 GLU QG . . 4.650 3.192 3.024 3.425 . 0 0 "[ . 1 . 2]" 1
1105 1 65 SER H 1 67 LEU QD . . 4.410 4.082 3.861 4.408 . 0 0 "[ . 1 . 2]" 1
1106 1 65 SER HB2 1 67 LEU QD . . 4.270 2.548 2.329 2.905 . 0 0 "[ . 1 . 2]" 1
1107 1 65 SER HB3 1 67 LEU QD . . 4.450 3.709 2.758 3.999 . 0 0 "[ . 1 . 2]" 1
1108 1 66 THR H 1 67 LEU QD . . 4.720 3.293 3.149 3.534 . 0 0 "[ . 1 . 2]" 1
1109 1 67 LEU H 1 67 LEU QD . . 3.450 2.371 2.246 2.619 . 0 0 "[ . 1 . 2]" 1
1110 1 67 LEU HA 1 67 LEU QD . . 3.510 2.991 2.805 3.079 . 0 0 "[ . 1 . 2]" 1
1111 1 67 LEU QD 1 68 HIS H . . 4.620 3.884 3.663 4.082 . 0 0 "[ . 1 . 2]" 1
1112 1 69 LEU H 1 69 LEU QD . . 4.270 3.631 3.475 3.796 . 0 0 "[ . 1 . 2]" 1
1113 1 69 LEU QD 1 70 VAL H . . 4.200 3.403 2.850 3.667 . 0 0 "[ . 1 . 2]" 1
1114 1 72 ARG HA 1 72 ARG QD . . 4.560 2.598 2.065 3.872 . 0 0 "[ . 1 . 2]" 1
1115 1 72 ARG HB2 1 72 ARG QD . . 3.510 2.358 2.088 3.342 . 0 0 "[ . 1 . 2]" 1
1116 1 72 ARG HB3 1 72 ARG QD . . 3.680 3.177 2.362 3.459 . 0 0 "[ . 1 . 2]" 1
1117 1 72 ARG QD 1 73 LEU H . . 3.920 4.141 2.573 5.046 1.126 11 6 "[ .* 1+ -*. ** 2]" 1
1118 1 73 LEU HA 1 73 LEU QD . . 3.180 2.289 2.061 2.627 . 0 0 "[ . 1 . 2]" 1
1119 1 73 LEU HB2 1 73 LEU QD . . 2.970 2.236 2.192 2.303 . 0 0 "[ . 1 . 2]" 1
1120 1 73 LEU QD 1 74 ARG H . . 3.630 2.596 2.089 3.424 . 0 0 "[ . 1 . 2]" 1
1121 1 73 LEU QD 1 75 GLY H . . 4.960 2.413 1.663 3.765 . 0 0 "[ . 1 . 2]" 1
1122 1 74 ARG H 1 74 ARG QG . . 3.120 2.877 2.388 3.592 0.472 13 0 "[ . 1 . 2]" 1
1123 1 74 ARG H 1 74 ARG QD . . 4.750 3.698 3.378 4.079 . 0 0 "[ . 1 . 2]" 1
1124 1 74 ARG HA 1 74 ARG QG . . 3.380 3.054 2.925 3.181 . 0 0 "[ . 1 . 2]" 1
1125 1 74 ARG HA 1 74 ARG QD . . 4.720 2.168 1.999 2.623 . 0 0 "[ . 1 . 2]" 1
1126 1 74 ARG HB2 1 74 ARG QG . . 2.530 2.181 2.152 2.192 . 0 0 "[ . 1 . 2]" 1
1127 1 74 ARG HB2 1 74 ARG QD . . 3.640 3.543 3.443 3.638 . 0 0 "[ . 1 . 2]" 1
1128 1 74 ARG HB3 1 74 ARG QD . . 3.620 3.136 2.919 3.386 . 0 0 "[ . 1 . 2]" 1
1129 1 74 ARG QG 1 75 GLY H . . 4.230 4.510 4.111 4.909 0.679 17 3 "[ - . 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 92
_Distance_constraint_stats_list.Viol_count 1469
_Distance_constraint_stats_list.Viol_total 133983.250
_Distance_constraint_stats_list.Viol_max 10.953
_Distance_constraint_stats_list.Viol_rms 2.8264
_Distance_constraint_stats_list.Viol_average_all_restraints 3.6408
_Distance_constraint_stats_list.Viol_average_violations_only 4.5604
_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 2 GLN 246.265 9.644 16 20 [*-*************+****]
1 3 ILE 96.910 5.523 16 20 [***************+**-*]
1 4 PHE 67.353 3.469 3 20 [**+**************-**]
1 5 VAL 2.543 0.670 3 1 "[ + . 1 . 2]"
1 6 LYS 77.897 4.744 3 20 [**+-****************]
1 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 58.655 4.055 3 20 [**+*-***************]
1 12 THR 134.305 7.687 3 20 [**+*-***************]
1 14 THR 39.119 2.874 16 20 [****-**********+****]
1 15 LEU 69.285 4.222 16 20 [****-**********+****]
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 194.947 7.031 16 20 [**-************+****]
1 20 SER 206.772 9.651 3 20 [**+***-*************]
1 21 ASP 243.151 6.911 3 20 [**+*****************]
1 22 THR 174.344 5.533 1 20 [+******************-]
1 23 ILE 125.096 6.164 1 20 [+****-**************]
1 25 ASN 185.210 7.176 11 20 [**-*******+*********]
1 26 VAL 126.716 6.849 3 20 [**+****************-]
1 27 LYS 69.225 3.894 11 20 [**********+********-]
1 28 ALA 70.127 4.070 2 20 [*+*****************-]
1 29 LYS 96.061 5.356 2 20 [*+*****************-]
1 31 GLN 38.673 2.488 2 20 [*+**-***************]
1 32 ASP 77.051 4.587 2 20 [*+**-***************]
1 33 LYS 2534.584 10.764 4 20 [***+**-*************]
1 34 GLU 57.409 3.667 16 20 [****-**********+****]
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 4257.095 10.953 3 20 [**+**-**************]
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LEU 66.314 4.241 4 20 [*-*+****************]
1 44 ILE 94.068 4.053 4 20 [***+-***************]
1 46 ALA 166.717 8.150 4 20 [***+********-*******]
1 47 GLY 299.390 9.546 4 20 [***+**-*************]
1 48 LYS 340.869 10.764 4 20 [***+**-*************]
1 49 GLN 101.652 5.883 8 20 [*****-*+************]
1 50 LEU 181.664 7.485 16 20 [*****-*********+****]
1 51 GLU 108.394 4.982 8 20 [*******+-***********]
1 54 ARG 206.387 8.312 8 20 [**-****+************]
1 55 THR 164.245 5.390 8 20 [**-****+************]
1 56 LEU 223.955 6.993 16 20 [***************+***-]
1 57 SER 192.415 7.714 3 20 [**+*****************]
1 58 ASP 219.244 7.404 8 20 [**-****+************]
1 59 TYR 169.203 5.678 8 20 [******-+************]
1 60 ASN 229.296 7.643 3 20 [**+*****************]
1 61 ILE 169.926 6.846 3 20 [**+*****************]
1 62 GLN 172.465 8.160 3 20 [*-+*****************]
1 63 LYS 361.261 10.953 3 20 [**+*****************]
1 64 GLU 241.654 8.766 3 20 [*-+*****************]
1 65 SER 193.453 6.713 3 20 [*-+*****************]
1 66 THR 93.052 5.186 16 20 [******-********+****]
1 67 LEU 26.554 1.730 4 18 "[***+**- ***********]"
1 68 HIS 127.353 3.961 3 20 [**+*****-***********]
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 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 23 ILE H 1 40 GLN CB . . 18.100 18.976 18.623 19.382 1.282 11 20 [*****-****+*********] 2
2 1 40 GLN CB 1 63 LYS H . . 18.100 28.191 27.684 29.053 10.953 3 20 [**+*-***************] 2
3 1 21 ASP H 1 40 GLN CB . . 18.100 24.499 24.052 25.011 6.911 3 20 [**+****************-] 2
4 1 20 SER H 1 40 GLN CB . . 18.100 27.220 26.837 27.751 9.651 3 20 [**+****************-] 2
5 1 40 GLN CB 1 56 LEU H . . 18.100 22.923 22.658 23.392 5.292 3 20 [**+****************-] 2
6 1 40 GLN CB 1 46 ALA H . . 18.100 19.147 18.699 19.847 1.747 3 20 [**+*********-*******] 2
7 1 40 GLN CB 1 55 THR H . . 18.100 23.063 22.692 23.490 5.390 8 20 [*****-*+************] 2
8 1 40 GLN CB 1 67 LEU H . . 18.100 18.205 17.617 18.789 0.689 3 2 "[ -+ . 1 . 2]" 2
9 1 22 THR H 1 40 GLN CB . . 18.100 22.027 21.497 22.468 4.368 3 20 [**+****************-] 2
10 1 4 PHE H 1 40 GLN CB . . 18.100 21.023 20.437 21.569 3.469 3 20 [**+*-***************] 2
11 1 40 GLN CB 1 60 ASN H . . 18.100 25.076 24.442 25.743 7.643 3 20 [**+**-**************] 2
12 1 40 GLN CB 1 59 TYR H . . 18.100 23.190 22.593 23.778 5.678 8 20 [*****-*+************] 2
13 1 15 LEU H 1 40 GLN CB . . 18.100 21.564 21.076 22.322 4.222 16 20 [****-**********+****] 2
14 1 40 GLN CB 1 65 SER H . . 18.100 24.011 23.420 24.813 6.713 3 20 [**+*-***************] 2
15 1 40 GLN CB 1 57 SER H . . 18.100 25.313 25.071 25.814 7.714 3 20 [**+**-**************] 2
16 1 40 GLN CB 1 64 GLU H . . 18.100 26.141 25.482 26.866 8.766 3 20 [**+*-***************] 2
17 1 2 GLN H 1 40 GLN CB . . 18.100 27.178 26.618 27.744 9.644 16 20 [***************+**-*] 2
18 1 40 GLN CB 1 62 GLN H . . 18.100 25.189 24.721 26.260 8.160 3 20 [**+*-***************] 2
19 1 14 THR H 1 40 GLN CB . . 18.100 20.056 19.384 20.974 2.874 16 20 [****-**********+****] 2
20 1 5 VAL H 1 40 GLN CB . . 18.100 18.072 17.317 18.770 0.670 3 1 "[ + . 1 . 2]" 2
21 1 18 GLU H 1 40 GLN CB . . 18.100 24.511 24.115 25.131 7.031 16 20 [***************+***-] 2
22 1 3 ILE H 1 40 GLN CB . . 18.100 22.946 22.336 23.623 5.523 16 20 [***************+**-*] 2
23 1 40 GLN CB 1 58 ASP H . . 18.100 24.985 24.467 25.504 7.404 8 20 [*****-*+************] 2
24 1 40 GLN CB 1 61 ILE H . . 18.100 24.285 23.713 24.946 6.846 3 20 [**+*-***************] 2
25 1 33 LYS CB 1 57 SER H . . 18.100 20.508 19.636 21.134 3.034 1 20 [+*-*****************] 2
26 1 33 LYS CB 1 54 ARG H . . 18.100 20.542 19.688 21.437 3.337 1 20 [+*-*****************] 2
27 1 20 SER H 1 33 LYS CB . . 18.100 19.318 18.535 19.780 1.680 1 19 "[+* ***-*************]" 2
28 1 33 LYS CB 1 61 ILE H . . 18.100 20.411 19.583 21.188 3.088 16 20 [**-************+****] 2
29 1 33 LYS CB 1 51 GLU H . . 18.100 19.147 18.648 19.889 1.789 18 20 [********-********+**] 2
30 1 33 LYS CB 1 62 GLN H . . 18.100 19.634 18.827 20.419 2.319 16 20 [*-*************+****] 2
31 1 33 LYS CB 1 58 ASP H . . 18.100 22.177 21.178 22.794 4.694 1 20 [+*-*****************] 2
32 1 33 LYS CB 1 60 ASN H . . 18.100 22.588 21.858 23.253 5.153 1 20 [+*-*****************] 2
33 1 33 LYS CB 1 55 THR H . . 18.100 21.349 20.458 22.101 4.001 1 20 [+*-*****************] 2
34 1 33 LYS CB 1 59 TYR H . . 18.100 21.470 20.626 22.123 4.023 1 20 [+*****-*************] 2
35 1 31 GLN H 1 40 GLN CB . . 11.700 13.634 13.220 14.188 2.488 2 20 [*+**-***************] 2
36 1 28 ALA H 1 40 GLN CB . . 11.700 15.206 14.707 15.770 4.070 2 20 [*+*****************-] 2
37 1 40 GLN CB 1 43 LEU H . . 11.700 10.750 10.620 10.884 . 0 0 "[ . 1 . 2]" 2
38 1 40 GLN CB 1 49 GLN H . . 11.700 16.783 15.967 17.583 5.883 8 20 [*****-*+************] 2
39 1 40 GLN CB 1 51 GLU H . . 11.700 16.073 15.637 16.682 4.982 8 20 [*******+*****-******] 2
40 1 33 LYS H 1 40 GLN CB . . 11.700 16.326 15.654 16.980 5.280 16 20 [*******-*******+****] 2
41 1 34 GLU H 1 40 GLN CB . . 11.700 14.570 13.988 15.367 3.667 16 20 [****-**********+****] 2
42 1 27 LYS H 1 40 GLN CB . . 11.700 15.161 14.695 15.594 3.894 11 20 [**********+********-] 2
43 1 11 LYS H 1 40 GLN CB . . 11.700 14.633 13.477 15.755 4.055 3 20 [**+*-***************] 2
44 1 29 LYS H 1 40 GLN CB . . 11.700 16.503 16.104 17.056 5.356 2 20 [*+*****************-] 2
45 1 40 GLN CB 1 50 LEU H . . 11.700 14.010 13.471 14.649 2.949 8 20 [*****-*+************] 2
46 1 32 ASP H 1 40 GLN CB . . 11.700 15.553 15.088 16.287 4.587 2 20 [*+**-***************] 2
47 1 25 ASN H 1 40 GLN CB . . 11.700 18.409 17.889 18.876 7.176 11 20 [**********+********-] 2
48 1 40 GLN CB 1 68 HIS H . . 11.700 14.997 14.515 15.661 3.961 3 20 [**+*-***************] 2
49 1 26 VAL H 1 40 GLN CB . . 11.700 18.036 17.553 18.549 6.849 3 20 [**+****************-] 2
50 1 40 GLN CB 1 47 GLY H . . 11.700 17.965 17.476 18.582 6.882 8 20 [******-+************] 2
51 1 12 THR H 1 40 GLN CB . . 11.700 18.415 17.367 19.387 7.687 3 20 [**+*-***************] 2
52 1 40 GLN CB 1 54 ARG H . . 11.700 19.577 19.091 20.012 8.312 8 20 [*******+********-***] 2
53 1 6 LYS H 1 40 GLN CB . . 11.700 15.505 14.687 16.444 4.744 3 20 [**+*-***************] 2
54 1 40 GLN CB 1 48 LYS H . . 11.700 18.771 18.331 19.417 7.717 8 20 [******-+************] 2
55 1 40 GLN CB 1 44 ILE H . . 11.700 13.122 12.863 13.561 1.861 2 20 [*+**-***************] 2
56 1 6 LYS H 1 33 LYS CB . . 11.700 11.570 10.930 12.279 0.579 4 1 "[ +. 1 . 2]" 2
57 1 33 LYS CB 1 43 LEU H . . 11.700 15.016 14.288 15.941 4.241 4 20 [*-*+****************] 2
58 1 18 GLU H 1 33 LYS CB . . 11.700 15.036 13.988 15.483 3.783 16 20 [**-************+****] 2
59 1 25 ASN H 1 33 LYS CB . . 11.700 14.251 13.390 15.065 3.365 1 20 [+*-*****************] 2
60 1 2 GLN H 1 33 LYS CB . . 11.700 14.935 14.150 15.566 3.866 16 20 [*-*************+****] 2
61 1 33 LYS CB 1 44 ILE H . . 11.700 14.982 14.245 15.753 4.053 4 20 [***+**-*************] 2
62 1 4 PHE H 1 33 LYS CB . . 11.700 12.110 11.337 12.610 0.910 4 11 "[* +* 1****** -*2]" 2
63 1 33 LYS CB 1 68 HIS H . . 11.700 14.771 14.024 15.562 3.862 4 20 [***+****-***********] 2
64 1 33 LYS CB 1 67 LEU H . . 11.700 12.865 12.182 13.430 1.730 4 18 "[***+**- ***********]" 2
65 1 23 ILE H 1 33 LYS CB . . 11.700 17.079 16.345 17.864 6.164 1 20 [+*-*****************] 2
66 1 33 LYS CB 1 47 GLY H . . 11.700 20.404 19.631 21.246 9.546 4 20 [***+************-***] 2
67 1 33 LYS CB 1 66 THR H . . 11.700 16.353 15.747 16.886 5.186 16 20 [******-********+****] 2
68 1 33 LYS CB 1 64 GLU H . . 11.700 15.742 15.124 16.484 4.784 16 20 [*-*************+****] 2
69 1 22 THR H 1 33 LYS CB . . 11.700 16.491 15.683 17.233 5.533 1 20 [+*-*****************] 2
70 1 33 LYS CB 1 65 SER H . . 11.700 15.462 14.906 15.928 4.228 12 20 [*-*********+********] 2
71 1 21 ASP H 1 33 LYS CB . . 11.700 17.459 16.714 18.144 6.444 1 20 [+*-*****************] 2
72 1 33 LYS CB 1 63 LYS H . . 11.700 19.672 19.027 20.412 8.712 16 20 [**-************+****] 2
73 1 33 LYS CB 1 50 LEU H . . 11.700 18.473 17.747 19.185 7.485 16 20 [******-********+****] 2
74 1 33 LYS CB 1 56 LEU H . . 11.700 18.075 17.230 18.693 6.993 16 20 [**-************+****] 2
75 1 33 LYS CB 1 46 ALA H . . 11.700 18.989 18.220 19.850 8.150 4 20 [***+****-***********] 2
76 1 33 LYS CB 1 48 LYS H . . 11.700 21.672 21.005 22.464 10.764 4 20 [***+****-***********] 2
77 1 40 GLN CB 1 70 VAL H . . 14.600 8.548 8.153 9.079 . 0 0 "[ . 1 . 2]" 2
78 1 35 GLY H 1 40 GLN CB . . 14.600 13.270 12.619 14.369 . 0 0 "[ . 1 . 2]" 2
79 1 8 LEU H 1 40 GLN CB . . 14.600 9.631 8.643 10.789 . 0 0 "[ . 1 . 2]" 2
80 1 40 GLN CB 1 42 ARG H . . 14.600 7.079 6.944 7.370 . 0 0 "[ . 1 . 2]" 2
81 1 9 THR H 1 40 GLN CB . . 14.600 11.353 10.173 12.444 . 0 0 "[ . 1 . 2]" 2
82 1 10 GLY H 1 40 GLN CB . . 14.600 13.344 12.192 14.511 . 0 0 "[ . 1 . 2]" 2
83 1 40 GLN CB 1 69 LEU H . . 14.600 11.708 11.038 12.507 . 0 0 "[ . 1 . 2]" 2
84 1 9 THR H 1 33 LYS CB . . 14.600 12.072 11.171 12.841 . 0 0 "[ . 1 . 2]" 2
85 1 10 GLY H 1 33 LYS CB . . 14.600 12.804 12.292 13.553 . 0 0 "[ . 1 . 2]" 2
86 1 11 LYS H 1 33 LYS CB . . 14.600 11.039 10.561 11.934 . 0 0 "[ . 1 . 2]" 2
87 1 12 THR H 1 33 LYS CB . . 14.600 9.451 9.057 10.178 . 0 0 "[ . 1 . 2]" 2
88 1 17 VAL H 1 33 LYS CB . . 14.600 12.583 11.719 13.235 . 0 0 "[ . 1 . 2]" 2
89 1 7 THR H 1 33 LYS CB . . 14.600 10.066 9.595 10.683 . 0 0 "[ . 1 . 2]" 2
90 1 15 LEU H 1 33 LYS CB . . 14.600 8.449 7.712 8.940 . 0 0 "[ . 1 . 2]" 2
91 1 5 VAL H 1 33 LYS CB . . 14.600 8.923 8.258 9.572 . 0 0 "[ . 1 . 2]" 2
92 1 3 ILE H 1 33 LYS CB . . 14.600 10.952 10.188 11.503 . 0 0 "[ . 1 . 2]" 2
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