NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571135 |
2mhn   |
19642 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhn
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 908
_Distance_constraint_stats_list.Viol_count 2325
_Distance_constraint_stats_list.Viol_total 8381.869
_Distance_constraint_stats_list.Viol_max 1.725
_Distance_constraint_stats_list.Viol_rms 0.1068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0231
_Distance_constraint_stats_list.Viol_average_violations_only 0.1803
_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 4 ASN 0.177 0.072 6 0 "[ . 1 . 2]"
1 5 LEU 2.297 0.586 8 1 "[ . + 1 . 2]"
1 6 THR 8.025 0.581 18 10 "[ ** *-*1 ****+ 2]"
1 7 PRO 9.120 0.731 4 9 "[ **+. **** - . *2]"
1 8 GLU 12.271 0.731 4 9 "[ **+. **** - . *2]"
1 9 GLU 14.391 0.586 8 10 "[ ** *+*1 ***** 2]"
1 10 ARG 1.803 0.504 4 1 "[ +. 1 . 2]"
1 11 ASP 1.712 0.210 20 0 "[ . 1 . 2]"
1 12 ALA 0.669 0.118 20 0 "[ . 1 . 2]"
1 13 ARG 1.570 0.098 17 0 "[ . 1 . 2]"
1 14 THR 3.180 0.812 12 1 "[ . 1 + . 2]"
1 15 VAL 9.566 0.131 4 0 "[ . 1 . 2]"
1 16 PHE 19.237 0.787 17 15 "[****.***** **. +*-*]"
1 17 CYS 23.520 0.890 3 17 "[**+******** *-. ****]"
1 18 MET 4.682 0.121 13 0 "[ . 1 . 2]"
1 19 GLN 23.685 1.258 9 12 "[ ****+* ** ****]"
1 20 LEU 3.631 0.671 16 2 "[- . 1 .+ 2]"
1 21 ALA 2.396 0.123 19 0 "[ . 1 . 2]"
1 22 ALA 0.621 0.135 11 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 12.006 0.831 6 4 "[ -+ *1* . 2]"
1 25 ARG 3.913 0.356 9 0 "[ . 1 . 2]"
1 26 PRO 3.242 0.552 5 2 "[ - + 1 . 2]"
1 27 ARG 4.760 0.552 5 2 "[ - + 1 . 2]"
1 28 ASP 16.332 0.831 6 4 "[ -+ *1* . 2]"
1 29 LEU 6.822 0.365 20 0 "[ . 1 . 2]"
1 30 GLU 6.666 0.654 16 2 "[ - 1 .+ 2]"
1 31 GLU 1.507 0.344 16 0 "[ . 1 . 2]"
1 32 PHE 7.999 1.039 2 2 "[ + . 1 - 2]"
1 33 PHE 21.681 1.074 3 7 "[ +*.- * 1 *** 2]"
1 34 SER 1.250 0.236 16 0 "[ . 1 . 2]"
1 35 THR 1.090 0.095 11 0 "[ . 1 . 2]"
1 36 VAL 3.868 0.866 6 2 "[ - .+ 1 . 2]"
1 37 GLY 3.356 0.866 6 2 "[ - .+ 1 . 2]"
1 38 LYS 5.049 0.746 12 3 "[ . * -1 + . 2]"
1 39 VAL 6.773 1.074 3 5 "[ + .- 1 *** 2]"
1 40 ARG 0.543 0.081 15 0 "[ . 1 . 2]"
1 41 ASP 1.189 0.100 6 0 "[ . 1 . 2]"
1 42 VAL 0.949 0.131 8 0 "[ . 1 . 2]"
1 43 ARG 0.373 0.131 8 0 "[ . 1 . 2]"
1 44 MET 6.034 0.671 16 3 "[* .- 1 .+ 2]"
1 45 ILE 6.699 0.133 8 0 "[ . 1 . 2]"
1 46 SER 1.136 0.120 14 0 "[ . 1 . 2]"
1 47 ASP 1.729 0.092 8 0 "[ . 1 . 2]"
1 48 ARG 0.395 0.120 13 0 "[ . 1 . 2]"
1 49 ASN 3.053 0.435 9 0 "[ . 1 . 2]"
1 50 SER 2.744 0.435 9 0 "[ . 1 . 2]"
1 51 ARG 0.101 0.079 2 0 "[ . 1 . 2]"
1 52 ARG 0.477 0.086 6 0 "[ . 1 . 2]"
1 53 SER 7.763 1.658 10 5 "[* . +* . - *]"
1 54 LYS 13.731 1.658 10 5 "[* . +* . * *]"
1 55 GLY 1.154 0.622 1 1 "[+ . 1 . 2]"
1 56 ILE 7.547 0.201 18 0 "[ . 1 . 2]"
1 57 ALA 16.024 0.890 3 6 "[ + ** * 1* -. 2]"
1 58 TYR 6.413 0.107 7 0 "[ . 1 . 2]"
1 59 VAL 9.330 1.013 16 3 "[ -. * 1 .+ 2]"
1 60 GLU 5.679 0.729 5 5 "[ *+ 1 *.- *]"
1 61 PHE 20.774 1.725 11 12 "[ **** *+****- *]"
1 62 VAL 7.980 0.746 12 3 "[ . * -1 + . 2]"
1 63 ASP 3.963 0.527 7 1 "[ . + 1 . 2]"
1 64 VAL 0.537 0.098 17 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 26.380 1.725 11 9 "[ .** *+**-** 2]"
1 67 VAL 12.143 0.554 14 1 "[ . 1 +. 2]"
1 68 PRO 26.145 1.129 4 19 "[-**+*** ************]"
1 69 LEU 13.679 0.697 15 18 "[***-*** ******+****2]"
1 70 ALA 2.794 0.130 11 0 "[ . 1 . 2]"
1 71 ILE 12.770 0.640 10 20 [*-*******+**********]
1 72 GLY 12.496 1.129 4 11 "[-* +.** 1* **** *]"
1 73 LEU 8.790 0.870 15 6 "[* .* -1 * + *]"
1 74 THR 5.955 0.103 20 0 "[ . 1 . 2]"
1 75 GLY 12.265 0.795 20 6 "[ - *.* **1 . +]"
1 76 GLN 64.844 1.323 2 19 "[*+ **-**************]"
1 77 ARG 28.475 0.742 1 17 "[+**** **-*** *.*****]"
1 78 VAL 9.272 0.601 11 9 "[* * . *-1+* *. * *2]"
1 79 LEU 0.282 0.101 3 0 "[ . 1 . 2]"
1 80 GLY 7.817 0.646 4 3 "[- +. *1 . 2]"
1 81 VAL 3.125 0.135 11 0 "[ . 1 . 2]"
1 82 PRO 28.651 1.444 5 20 [****+***-***********]
1 83 ILE 48.419 1.444 5 20 [****+*****-*********]
1 84 ILE 25.953 1.258 9 12 "[ ****+* ** ****]"
1 85 VAL 4.772 0.103 20 0 "[ . 1 . 2]"
1 86 GLN 5.635 0.461 8 0 "[ . 1 . 2]"
1 87 ALA 4.607 0.116 5 0 "[ . 1 . 2]"
1 88 SER 5.946 0.812 12 1 "[ . 1 + . 2]"
1 89 GLN 5.840 1.248 2 3 "[ + . *1 . -2]"
1 90 ALA 4.574 1.248 2 3 "[ + . *1 . -2]"
1 91 GLU 1.060 0.092 4 0 "[ . 1 . 2]"
1 92 LYS 1.418 0.092 4 0 "[ . 1 . 2]"
1 93 ASN 0.855 0.086 18 0 "[ . 1 . 2]"
1 94 ARG 0.356 0.081 6 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 4 ASN H 1 5 LEU H . . 4.680 4.167 2.466 4.741 0.061 10 0 "[ . 1 . 2]" 1
2 1 4 ASN HA 1 5 LEU H . . 2.930 2.469 2.105 3.002 0.072 6 0 "[ . 1 . 2]" 1
3 1 5 LEU H 1 5 LEU QD . . 4.890 3.631 3.150 4.053 . 0 0 "[ . 1 . 2]" 1
4 1 5 LEU H 1 6 THR H . . 4.660 4.508 4.296 4.718 0.058 18 0 "[ . 1 . 2]" 1
5 1 5 LEU HA 1 5 LEU QD . . 2.940 2.221 1.976 2.875 . 0 0 "[ . 1 . 2]" 1
6 1 5 LEU HA 1 6 THR H . . 2.900 2.362 2.076 2.715 . 0 0 "[ . 1 . 2]" 1
7 1 5 LEU HA 1 9 GLU HB3 . . 4.840 4.749 4.013 5.426 0.586 8 1 "[ . + 1 . 2]" 1
8 1 5 LEU HB3 1 6 THR H . . 4.960 3.790 2.062 4.440 . 0 0 "[ . 1 . 2]" 1
9 1 5 LEU QD 1 6 THR H . . 4.510 2.725 1.813 3.398 . 0 0 "[ . 1 . 2]" 1
10 1 5 LEU QD 1 9 GLU H . . 5.500 3.913 2.919 4.429 . 0 0 "[ . 1 . 2]" 1
11 1 5 LEU QD 1 9 GLU HA . . 5.490 4.278 3.765 4.758 . 0 0 "[ . 1 . 2]" 1
12 1 5 LEU QD 1 9 GLU HB3 . . 4.020 2.296 2.091 2.798 . 0 0 "[ . 1 . 2]" 1
13 1 5 LEU QD 1 9 GLU HG3 . . 5.500 3.620 2.312 4.379 . 0 0 "[ . 1 . 2]" 1
14 1 5 LEU QD 1 10 ARG H . . 5.180 2.955 2.496 3.611 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU QD 1 10 ARG HA . . 3.900 3.200 2.208 3.901 0.001 1 0 "[ . 1 . 2]" 1
16 1 5 LEU QD 1 10 ARG HB3 . . 5.180 3.646 1.988 5.100 . 0 0 "[ . 1 . 2]" 1
17 1 5 LEU QD 1 64 VAL QG . . 3.370 2.234 1.767 2.913 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU HG 1 6 THR H . . 5.500 3.616 1.963 5.327 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR H 1 6 THR MG . . 3.100 2.356 1.696 3.012 . 0 0 "[ . 1 . 2]" 1
20 1 6 THR H 1 9 GLU H . . 4.580 3.867 3.031 4.466 . 0 0 "[ . 1 . 2]" 1
21 1 6 THR H 1 9 GLU HB3 . . 3.560 3.845 3.106 4.141 0.581 18 10 "[ ** *-*1 ****+ 2]" 1
22 1 6 THR H 1 10 ARG H . . 4.970 4.837 4.332 5.055 0.085 3 0 "[ . 1 . 2]" 1
23 1 6 THR HA 1 6 THR MG . . 3.210 2.712 2.180 3.257 0.047 13 0 "[ . 1 . 2]" 1
24 1 6 THR HB 1 8 GLU H . . 4.000 3.339 1.937 4.075 0.075 13 0 "[ . 1 . 2]" 1
25 1 6 THR MG 1 8 GLU H . . 5.070 3.762 2.699 4.918 . 0 0 "[ . 1 . 2]" 1
26 1 6 THR MG 1 9 GLU H . . 5.500 3.276 1.612 4.709 . 0 0 "[ . 1 . 2]" 1
27 1 7 PRO HA 1 10 ARG H . . 5.500 3.923 3.362 5.174 . 0 0 "[ . 1 . 2]" 1
28 1 7 PRO HB3 1 8 GLU H . . 3.830 4.286 3.984 4.561 0.731 4 9 "[ **+. **** - . *2]" 1
29 1 8 GLU H 1 8 GLU HB3 . . 3.510 3.360 2.406 3.642 0.132 13 0 "[ . 1 . 2]" 1
30 1 8 GLU H 1 8 GLU HG3 . . 4.290 2.781 2.042 4.360 0.070 19 0 "[ . 1 . 2]" 1
31 1 8 GLU H 1 9 GLU H . . 3.550 2.645 2.234 3.046 . 0 0 "[ . 1 . 2]" 1
32 1 8 GLU H 1 10 ARG H . . 4.500 4.236 3.650 4.572 0.072 14 0 "[ . 1 . 2]" 1
33 1 8 GLU HA 1 8 GLU HG3 . . 3.490 3.021 2.188 3.588 0.098 8 0 "[ . 1 . 2]" 1
34 1 8 GLU HA 1 11 ASP H . . 3.820 3.383 2.899 3.631 . 0 0 "[ . 1 . 2]" 1
35 1 8 GLU HA 1 11 ASP HB3 . . 3.430 3.390 2.993 3.640 0.210 20 0 "[ . 1 . 2]" 1
36 1 8 GLU HA 1 12 ALA H . . 5.120 4.200 3.924 4.643 . 0 0 "[ . 1 . 2]" 1
37 1 8 GLU HB3 1 9 GLU H . . 4.420 3.626 2.410 4.432 0.012 8 0 "[ . 1 . 2]" 1
38 1 9 GLU H 1 9 GLU HB3 . . 3.170 3.264 2.315 3.509 0.339 12 0 "[ . 1 . 2]" 1
39 1 9 GLU H 1 9 GLU HG3 . . 4.260 3.430 2.493 4.339 0.079 2 0 "[ . 1 . 2]" 1
40 1 9 GLU H 1 10 ARG H . . 3.440 2.731 2.452 3.000 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLU H 1 11 ASP H . . 4.700 4.083 3.846 4.237 . 0 0 "[ . 1 . 2]" 1
42 1 9 GLU H 1 12 ALA H . . 4.820 4.775 4.632 4.902 0.082 1 0 "[ . 1 . 2]" 1
43 1 9 GLU H 1 12 ALA MB . . 5.100 4.549 4.246 5.039 . 0 0 "[ . 1 . 2]" 1
44 1 9 GLU HA 1 9 GLU HB3 . . 3.010 2.782 2.550 3.056 0.046 2 0 "[ . 1 . 2]" 1
45 1 9 GLU HA 1 9 GLU HG3 . . 3.690 3.026 2.287 3.694 0.004 4 0 "[ . 1 . 2]" 1
46 1 9 GLU HA 1 12 ALA H . . 4.030 3.436 3.029 3.778 . 0 0 "[ . 1 . 2]" 1
47 1 9 GLU HA 1 12 ALA MB . . 3.460 2.542 2.171 3.264 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLU HB3 1 10 ARG H . . 3.700 3.169 2.510 3.745 0.045 10 0 "[ . 1 . 2]" 1
49 1 9 GLU HG3 1 12 ALA MB . . 5.500 4.819 3.130 5.598 0.098 14 0 "[ . 1 . 2]" 1
50 1 10 ARG H 1 10 ARG HG3 . . 4.770 3.888 2.317 4.605 . 0 0 "[ . 1 . 2]" 1
51 1 10 ARG H 1 11 ASP H . . 3.390 2.620 2.363 2.785 . 0 0 "[ . 1 . 2]" 1
52 1 10 ARG H 1 12 ALA H . . 5.290 4.107 3.800 4.447 . 0 0 "[ . 1 . 2]" 1
53 1 10 ARG H 1 12 ALA MB . . 5.500 4.776 4.352 5.130 . 0 0 "[ . 1 . 2]" 1
54 1 10 ARG HA 1 10 ARG HG3 . . 3.240 2.703 2.058 3.744 0.504 4 1 "[ +. 1 . 2]" 1
55 1 10 ARG HA 1 13 ARG H . . 4.550 4.205 3.656 4.620 0.070 8 0 "[ . 1 . 2]" 1
56 1 11 ASP H 1 11 ASP HB3 . . 3.260 2.992 2.489 3.412 0.152 20 0 "[ . 1 . 2]" 1
57 1 11 ASP H 1 12 ALA H . . 3.510 2.305 1.972 2.720 . 0 0 "[ . 1 . 2]" 1
58 1 11 ASP H 1 13 ARG H . . 4.880 4.350 3.618 4.950 0.070 20 0 "[ . 1 . 2]" 1
59 1 11 ASP HB3 1 12 ALA H . . 3.640 2.971 2.201 3.758 0.118 20 0 "[ . 1 . 2]" 1
60 1 12 ALA H 1 12 ALA MB . . 2.900 2.195 2.114 2.342 . 0 0 "[ . 1 . 2]" 1
61 1 12 ALA H 1 13 ARG H . . 3.480 2.930 2.462 3.469 . 0 0 "[ . 1 . 2]" 1
62 1 12 ALA MB 1 13 ARG H . . 3.940 2.794 1.940 3.720 . 0 0 "[ . 1 . 2]" 1
63 1 13 ARG H 1 14 THR H . . 3.140 2.968 2.567 3.219 0.079 18 0 "[ . 1 . 2]" 1
64 1 13 ARG HA 1 64 VAL HA . . 3.580 3.156 2.480 3.678 0.098 17 0 "[ . 1 . 2]" 1
65 1 13 ARG HA 1 64 VAL QG . . 4.420 3.554 2.563 4.419 . 0 0 "[ . 1 . 2]" 1
66 1 13 ARG HE 1 63 ASP HA . . 5.500 3.739 1.810 5.588 0.088 1 0 "[ . 1 . 2]" 1
67 1 13 ARG HE 1 64 VAL H . . 5.000 3.924 2.573 5.075 0.075 8 0 "[ . 1 . 2]" 1
68 1 14 THR H 1 14 THR HB . . 3.160 2.596 2.251 3.228 0.068 3 0 "[ . 1 . 2]" 1
69 1 14 THR H 1 15 VAL H . . 5.070 4.591 4.347 4.704 . 0 0 "[ . 1 . 2]" 1
70 1 14 THR H 1 15 VAL MG1 . . 5.500 4.692 4.074 5.236 . 0 0 "[ . 1 . 2]" 1
71 1 14 THR H 1 60 GLU HA . . 4.940 4.511 3.674 4.991 0.051 13 0 "[ . 1 . 2]" 1
72 1 14 THR H 1 61 PHE H . . 5.500 4.673 3.553 5.569 0.069 14 0 "[ . 1 . 2]" 1
73 1 14 THR HA 1 14 THR MG . . 3.490 2.425 2.172 2.597 . 0 0 "[ . 1 . 2]" 1
74 1 14 THR HA 1 15 VAL H . . 2.950 2.320 2.225 2.420 . 0 0 "[ . 1 . 2]" 1
75 1 14 THR HA 1 15 VAL HA . . 5.500 4.493 4.406 4.561 . 0 0 "[ . 1 . 2]" 1
76 1 14 THR HA 1 15 VAL MG1 . . 4.940 3.852 3.619 4.223 . 0 0 "[ . 1 . 2]" 1
77 1 14 THR HA 1 15 VAL MG2 . . 4.340 3.668 3.235 3.947 . 0 0 "[ . 1 . 2]" 1
78 1 14 THR HA 1 60 GLU H . . 4.810 4.670 4.215 4.865 0.055 14 0 "[ . 1 . 2]" 1
79 1 14 THR HA 1 60 GLU HA . . 3.110 2.256 1.949 2.540 . 0 0 "[ . 1 . 2]" 1
80 1 14 THR HA 1 61 PHE H . . 3.700 2.799 2.427 3.538 . 0 0 "[ . 1 . 2]" 1
81 1 14 THR HA 1 61 PHE QD . . 5.160 4.873 3.985 5.262 0.102 10 0 "[ . 1 . 2]" 1
82 1 14 THR HB 1 15 VAL H . . 5.430 3.893 3.297 4.241 . 0 0 "[ . 1 . 2]" 1
83 1 14 THR HB 1 88 SER HB3 . . 3.790 2.826 2.004 4.602 0.812 12 1 "[ . 1 + . 2]" 1
84 1 14 THR MG 1 15 VAL H . . 3.450 2.463 2.166 2.845 . 0 0 "[ . 1 . 2]" 1
85 1 14 THR MG 1 16 PHE H . . 5.500 4.724 4.008 5.488 . 0 0 "[ . 1 . 2]" 1
86 1 14 THR MG 1 58 TYR HA . . 4.130 3.294 2.915 3.956 . 0 0 "[ . 1 . 2]" 1
87 1 14 THR MG 1 58 TYR QD . . 3.230 2.905 2.376 3.337 0.107 7 0 "[ . 1 . 2]" 1
88 1 14 THR MG 1 59 VAL H . . 3.780 2.880 2.264 3.826 0.046 9 0 "[ . 1 . 2]" 1
89 1 14 THR MG 1 59 VAL QG . . 5.500 4.039 3.731 4.411 . 0 0 "[ . 1 . 2]" 1
90 1 14 THR MG 1 61 PHE H . . 4.720 4.276 3.884 4.714 . 0 0 "[ . 1 . 2]" 1
91 1 14 THR MG 1 88 SER HB3 . . 3.990 3.494 2.669 4.087 0.097 13 0 "[ . 1 . 2]" 1
92 1 15 VAL H 1 15 VAL MG1 . . 3.870 3.102 2.897 3.261 . 0 0 "[ . 1 . 2]" 1
93 1 15 VAL H 1 15 VAL MG2 . . 3.260 2.234 2.079 2.547 . 0 0 "[ . 1 . 2]" 1
94 1 15 VAL H 1 16 PHE H . . 4.760 4.338 4.141 4.524 . 0 0 "[ . 1 . 2]" 1
95 1 15 VAL H 1 58 TYR HA . . 4.180 4.185 3.872 4.269 0.089 11 0 "[ . 1 . 2]" 1
96 1 15 VAL H 1 59 VAL H . . 3.980 2.776 2.420 3.948 . 0 0 "[ . 1 . 2]" 1
97 1 15 VAL H 1 59 VAL QG . . 4.810 3.737 3.279 4.234 . 0 0 "[ . 1 . 2]" 1
98 1 15 VAL H 1 60 GLU HA . . 4.330 3.795 3.466 4.028 . 0 0 "[ . 1 . 2]" 1
99 1 15 VAL H 1 61 PHE H . . 4.470 4.244 3.748 4.545 0.075 7 0 "[ . 1 . 2]" 1
100 1 15 VAL H 1 61 PHE QD . . 5.500 4.775 3.710 5.608 0.108 11 0 "[ . 1 . 2]" 1
101 1 15 VAL HA 1 15 VAL MG1 . . 3.170 2.244 2.127 2.373 . 0 0 "[ . 1 . 2]" 1
102 1 15 VAL HA 1 16 PHE H . . 2.900 2.330 2.009 2.776 . 0 0 "[ . 1 . 2]" 1
103 1 15 VAL HA 1 67 VAL MG1 . . 5.500 3.922 3.252 4.559 . 0 0 "[ . 1 . 2]" 1
104 1 15 VAL HA 1 87 ALA HA . . 3.370 2.627 2.111 3.028 . 0 0 "[ . 1 . 2]" 1
105 1 15 VAL HA 1 87 ALA MB . . 5.080 3.428 2.686 4.106 . 0 0 "[ . 1 . 2]" 1
106 1 15 VAL HA 1 88 SER H . . 3.470 2.909 2.305 3.550 0.080 2 0 "[ . 1 . 2]" 1
107 1 15 VAL HB 1 16 PHE H . . 3.440 2.891 2.042 3.507 0.067 10 0 "[ . 1 . 2]" 1
108 1 15 VAL HB 1 16 PHE HA . . 4.960 4.846 4.447 5.036 0.076 19 0 "[ . 1 . 2]" 1
109 1 15 VAL HB 1 87 ALA HA . . 4.280 3.316 2.424 3.834 . 0 0 "[ . 1 . 2]" 1
110 1 15 VAL HB 1 88 SER H . . 5.500 4.809 4.378 5.352 . 0 0 "[ . 1 . 2]" 1
111 1 15 VAL MG1 1 16 PHE H . . 3.810 3.722 3.253 3.897 0.087 1 0 "[ . 1 . 2]" 1
112 1 15 VAL MG1 1 60 GLU HA . . 5.500 5.400 5.017 5.584 0.084 16 0 "[ . 1 . 2]" 1
113 1 15 VAL MG1 1 61 PHE HB3 . . 5.500 4.994 4.243 5.590 0.090 4 0 "[ . 1 . 2]" 1
114 1 15 VAL MG1 1 61 PHE QD . . 4.510 3.713 2.425 4.617 0.107 20 0 "[ . 1 . 2]" 1
115 1 15 VAL MG1 1 67 VAL HA . . 3.580 2.365 2.094 2.873 . 0 0 "[ . 1 . 2]" 1
116 1 15 VAL MG1 1 67 VAL MG2 . . 3.310 2.476 2.140 3.068 . 0 0 "[ . 1 . 2]" 1
117 1 15 VAL MG1 1 70 ALA H . . 3.930 3.872 3.240 4.041 0.111 12 0 "[ . 1 . 2]" 1
118 1 15 VAL MG1 1 70 ALA MB . . 3.420 2.269 2.038 2.499 . 0 0 "[ . 1 . 2]" 1
119 1 15 VAL MG1 1 87 ALA HA . . 3.640 3.155 2.490 3.712 0.072 3 0 "[ . 1 . 2]" 1
120 1 15 VAL MG1 1 88 SER H . . 4.550 4.142 3.480 4.655 0.105 13 0 "[ . 1 . 2]" 1
121 1 15 VAL MG2 1 16 PHE H . . 4.720 3.866 3.075 4.355 . 0 0 "[ . 1 . 2]" 1
122 1 15 VAL MG2 1 17 CYS H . . 5.500 4.853 3.968 5.600 0.100 12 0 "[ . 1 . 2]" 1
123 1 15 VAL MG2 1 33 PHE QD . . 3.440 3.542 3.500 3.571 0.131 4 0 "[ . 1 . 2]" 1
124 1 15 VAL MG2 1 33 PHE QE . . 4.200 2.634 2.231 3.441 . 0 0 "[ . 1 . 2]" 1
125 1 15 VAL MG2 1 58 TYR HA . . 4.910 4.302 3.681 4.732 . 0 0 "[ . 1 . 2]" 1
126 1 15 VAL MG2 1 59 VAL H . . 3.880 2.988 2.464 3.246 . 0 0 "[ . 1 . 2]" 1
127 1 15 VAL MG2 1 59 VAL HA . . 4.430 4.457 4.249 4.549 0.119 12 0 "[ . 1 . 2]" 1
128 1 15 VAL MG2 1 59 VAL QG . . 3.940 2.403 1.884 2.844 . 0 0 "[ . 1 . 2]" 1
129 1 15 VAL MG2 1 60 GLU HA . . 5.080 4.554 3.778 4.870 . 0 0 "[ . 1 . 2]" 1
130 1 15 VAL MG2 1 61 PHE H . . 5.500 4.148 3.396 4.935 . 0 0 "[ . 1 . 2]" 1
131 1 15 VAL MG2 1 61 PHE QD . . 4.140 2.962 2.160 4.214 0.074 11 0 "[ . 1 . 2]" 1
132 1 15 VAL MG2 1 67 VAL HA . . 5.500 4.395 3.907 5.147 . 0 0 "[ . 1 . 2]" 1
133 1 15 VAL MG2 1 67 VAL MG2 . . 4.480 4.255 3.952 4.585 0.105 7 0 "[ . 1 . 2]" 1
134 1 15 VAL MG2 1 70 ALA MB . . 3.610 2.911 2.148 3.571 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL MG2 1 87 ALA HA . . 5.000 4.720 4.081 5.116 0.116 5 0 "[ . 1 . 2]" 1
136 1 16 PHE H 1 16 PHE HB3 . . 3.620 2.554 2.316 2.954 . 0 0 "[ . 1 . 2]" 1
137 1 16 PHE H 1 16 PHE QD . . 5.100 4.305 4.178 4.466 . 0 0 "[ . 1 . 2]" 1
138 1 16 PHE H 1 17 CYS H . . 5.160 4.218 3.685 4.699 . 0 0 "[ . 1 . 2]" 1
139 1 16 PHE H 1 17 CYS HA . . 5.500 5.000 4.427 5.553 0.053 12 0 "[ . 1 . 2]" 1
140 1 16 PHE H 1 58 TYR HA . . 4.510 4.565 4.210 4.604 0.094 3 0 "[ . 1 . 2]" 1
141 1 16 PHE H 1 86 GLN HB3 . . 5.500 5.136 4.314 5.961 0.461 8 0 "[ . 1 . 2]" 1
142 1 16 PHE H 1 87 ALA H . . 4.710 3.494 3.033 4.067 . 0 0 "[ . 1 . 2]" 1
143 1 16 PHE H 1 87 ALA HA . . 4.440 2.445 1.579 2.966 . 0 0 "[ . 1 . 2]" 1
144 1 16 PHE H 1 87 ALA MB . . 5.500 4.000 3.197 4.477 . 0 0 "[ . 1 . 2]" 1
145 1 16 PHE H 1 88 SER H . . 4.700 2.976 1.798 4.243 . 0 0 "[ . 1 . 2]" 1
146 1 16 PHE HA 1 16 PHE QD . . 3.640 2.257 2.105 3.135 . 0 0 "[ . 1 . 2]" 1
147 1 16 PHE HA 1 16 PHE QE . . 4.640 4.486 4.396 4.591 . 0 0 "[ . 1 . 2]" 1
148 1 16 PHE HA 1 17 CYS H . . 2.830 2.131 2.044 2.357 . 0 0 "[ . 1 . 2]" 1
149 1 16 PHE HA 1 17 CYS HB3 . . 5.020 5.543 4.515 5.807 0.787 17 15 "[****.***** **. +*-*]" 1
150 1 16 PHE HA 1 58 TYR HA . . 3.460 2.379 2.139 2.853 . 0 0 "[ . 1 . 2]" 1
151 1 16 PHE HA 1 58 TYR QD . . 5.140 3.338 2.371 4.711 . 0 0 "[ . 1 . 2]" 1
152 1 16 PHE HA 1 59 VAL H . . 4.510 3.926 3.675 4.344 . 0 0 "[ . 1 . 2]" 1
153 1 16 PHE HB3 1 86 GLN H . . 5.500 5.248 4.804 5.545 0.045 4 0 "[ . 1 . 2]" 1
154 1 16 PHE HB3 1 86 GLN HB3 . . 4.530 3.162 2.701 3.801 . 0 0 "[ . 1 . 2]" 1
155 1 16 PHE HB3 1 87 ALA H . . 4.590 3.242 2.606 3.862 . 0 0 "[ . 1 . 2]" 1
156 1 16 PHE HB3 1 88 SER HA . . 4.110 3.586 2.570 4.174 0.064 8 0 "[ . 1 . 2]" 1
157 1 16 PHE QD 1 17 CYS H . . 4.750 2.666 2.282 3.338 . 0 0 "[ . 1 . 2]" 1
158 1 16 PHE QD 1 18 MET ME . . 4.480 4.297 3.580 4.601 0.121 13 0 "[ . 1 . 2]" 1
159 1 16 PHE QD 1 57 ALA H . . 5.500 3.405 3.051 4.339 . 0 0 "[ . 1 . 2]" 1
160 1 16 PHE QD 1 58 TYR HA . . 4.770 3.481 3.106 4.530 . 0 0 "[ . 1 . 2]" 1
161 1 16 PHE QD 1 86 GLN H . . 5.500 5.103 4.525 5.488 . 0 0 "[ . 1 . 2]" 1
162 1 16 PHE QD 1 87 ALA H . . 4.650 4.373 3.845 4.729 0.079 20 0 "[ . 1 . 2]" 1
163 1 16 PHE QD 1 88 SER HA . . 4.290 4.180 3.358 4.398 0.108 1 0 "[ . 1 . 2]" 1
164 1 16 PHE QE 1 18 MET HA . . 3.690 3.623 2.532 3.779 0.089 12 0 "[ . 1 . 2]" 1
165 1 16 PHE QE 1 18 MET HB3 . . 4.690 4.101 3.656 4.583 . 0 0 "[ . 1 . 2]" 1
166 1 16 PHE QE 1 18 MET ME . . 4.500 3.058 2.095 3.843 . 0 0 "[ . 1 . 2]" 1
167 1 16 PHE QE 1 56 ILE HB . . 4.240 2.473 2.125 3.440 . 0 0 "[ . 1 . 2]" 1
168 1 16 PHE QE 1 56 ILE MG . . 3.350 2.340 2.097 2.931 . 0 0 "[ . 1 . 2]" 1
169 1 16 PHE HZ 1 18 MET HA . . 3.870 3.924 3.664 3.958 0.088 18 0 "[ . 1 . 2]" 1
170 1 16 PHE HZ 1 18 MET HG3 . . 4.730 2.544 2.143 3.350 . 0 0 "[ . 1 . 2]" 1
171 1 16 PHE HZ 1 56 ILE HB . . 4.470 3.913 2.560 4.364 . 0 0 "[ . 1 . 2]" 1
172 1 16 PHE HZ 1 56 ILE MG . . 3.450 2.354 2.115 2.735 . 0 0 "[ . 1 . 2]" 1
173 1 17 CYS H 1 17 CYS HB3 . . 3.640 3.591 2.739 3.858 0.218 8 0 "[ . 1 . 2]" 1
174 1 17 CYS H 1 56 ILE MG . . 5.500 5.206 4.418 5.589 0.089 18 0 "[ . 1 . 2]" 1
175 1 17 CYS H 1 57 ALA H . . 4.010 3.057 2.630 3.367 . 0 0 "[ . 1 . 2]" 1
176 1 17 CYS H 1 57 ALA MB . . 5.500 3.625 2.953 3.938 . 0 0 "[ . 1 . 2]" 1
177 1 17 CYS HA 1 18 MET H . . 2.800 2.262 2.116 2.423 . 0 0 "[ . 1 . 2]" 1
178 1 17 CYS HA 1 83 ILE HA . . 4.800 3.964 3.228 4.875 0.075 5 0 "[ . 1 . 2]" 1
179 1 17 CYS HA 1 83 ILE MD . . 4.390 3.001 2.497 3.558 . 0 0 "[ . 1 . 2]" 1
180 1 17 CYS HA 1 84 ILE H . . 5.390 3.390 2.930 3.973 . 0 0 "[ . 1 . 2]" 1
181 1 17 CYS HA 1 84 ILE HB . . 4.460 4.301 3.174 4.545 0.085 9 0 "[ . 1 . 2]" 1
182 1 17 CYS HB3 1 20 LEU QD . . 3.620 2.234 1.963 3.484 . 0 0 "[ . 1 . 2]" 1
183 1 17 CYS HB3 1 57 ALA H . . 4.350 4.402 3.051 5.240 0.890 3 1 "[ + . 1 . 2]" 1
184 1 17 CYS HB3 1 57 ALA MB . . 3.450 3.755 2.857 4.121 0.671 5 5 "[ +* * 1* -. 2]" 1
185 1 18 MET H 1 19 GLN H . . 5.140 3.142 2.258 4.552 . 0 0 "[ . 1 . 2]" 1
186 1 18 MET H 1 83 ILE HA . . 5.500 3.933 3.231 4.452 . 0 0 "[ . 1 . 2]" 1
187 1 18 MET H 1 83 ILE MD . . 5.060 4.573 3.737 5.115 0.055 2 0 "[ . 1 . 2]" 1
188 1 18 MET H 1 84 ILE H . . 4.300 3.100 2.535 3.826 . 0 0 "[ . 1 . 2]" 1
189 1 18 MET H 1 84 ILE HB . . 4.000 3.084 2.816 3.332 . 0 0 "[ . 1 . 2]" 1
190 1 18 MET H 1 84 ILE MG . . 4.620 4.534 3.951 4.701 0.081 17 0 "[ . 1 . 2]" 1
191 1 18 MET HA 1 18 MET HG3 . . 3.830 2.760 2.277 3.458 . 0 0 "[ . 1 . 2]" 1
192 1 18 MET HA 1 20 LEU H . . 4.590 3.947 3.057 4.667 0.077 9 0 "[ . 1 . 2]" 1
193 1 18 MET HA 1 20 LEU HG . . 4.550 4.055 2.902 4.651 0.101 18 0 "[ . 1 . 2]" 1
194 1 18 MET HA 1 56 ILE MG . . 3.420 2.401 1.962 2.932 . 0 0 "[ . 1 . 2]" 1
195 1 18 MET HA 1 84 ILE HB . . 5.410 5.280 4.988 5.479 0.069 6 0 "[ . 1 . 2]" 1
196 1 18 MET HB3 1 84 ILE HB . . 3.840 2.876 2.290 3.546 . 0 0 "[ . 1 . 2]" 1
197 1 18 MET HB3 1 84 ILE MG . . 3.730 3.390 2.917 3.732 0.002 8 0 "[ . 1 . 2]" 1
198 1 18 MET ME 1 84 ILE MG . . 3.160 2.554 2.081 3.085 . 0 0 "[ . 1 . 2]" 1
199 1 18 MET ME 1 86 GLN HE22 . . 5.300 4.621 3.166 5.368 0.068 11 0 "[ . 1 . 2]" 1
200 1 18 MET HG3 1 56 ILE MG . . 4.150 2.507 2.011 3.253 . 0 0 "[ . 1 . 2]" 1
201 1 19 GLN H 1 19 GLN HA . . 2.910 2.789 2.174 2.970 0.060 13 0 "[ . 1 . 2]" 1
202 1 19 GLN H 1 19 GLN HE21 . . 5.500 5.181 4.737 5.574 0.074 1 0 "[ . 1 . 2]" 1
203 1 19 GLN H 1 20 LEU H . . 3.600 2.482 1.814 3.599 . 0 0 "[ . 1 . 2]" 1
204 1 19 GLN H 1 20 LEU QD . . 5.500 3.191 1.643 4.384 . 0 0 "[ . 1 . 2]" 1
205 1 19 GLN H 1 20 LEU HG . . 5.270 3.193 2.481 4.141 . 0 0 "[ . 1 . 2]" 1
206 1 19 GLN H 1 56 ILE MG . . 4.990 4.526 3.145 5.091 0.101 18 0 "[ . 1 . 2]" 1
207 1 19 GLN HA 1 19 GLN HG3 . . 3.610 2.353 2.169 2.631 . 0 0 "[ . 1 . 2]" 1
208 1 19 GLN HA 1 20 LEU H . . 3.220 2.861 2.177 3.214 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLN HB3 1 19 GLN HE21 . . 4.150 2.241 1.867 2.697 . 0 0 "[ . 1 . 2]" 1
210 1 19 GLN HB3 1 19 GLN HE22 . . 4.650 3.745 3.495 3.905 . 0 0 "[ . 1 . 2]" 1
211 1 19 GLN HB3 1 20 LEU H . . 5.350 4.238 3.908 4.509 . 0 0 "[ . 1 . 2]" 1
212 1 19 GLN HB3 1 83 ILE HA . . 4.470 3.093 2.495 3.573 . 0 0 "[ . 1 . 2]" 1
213 1 19 GLN HB3 1 83 ILE HB . . 5.500 5.185 4.455 5.568 0.068 1 0 "[ . 1 . 2]" 1
214 1 19 GLN HB3 1 84 ILE H . . 4.630 4.510 3.698 4.711 0.081 19 0 "[ . 1 . 2]" 1
215 1 19 GLN HB3 1 84 ILE MD . . 5.340 3.717 2.981 4.459 . 0 0 "[ . 1 . 2]" 1
216 1 19 GLN HB3 1 84 ILE HG13 . . 4.210 4.732 3.886 5.468 1.258 9 8 "[ .* *+* * * -*]" 1
217 1 19 GLN HE21 1 82 PRO HB3 . . 5.500 4.271 3.860 5.680 0.180 3 0 "[ . 1 . 2]" 1
218 1 19 GLN HE21 1 82 PRO HG3 . . 4.530 3.823 3.019 4.476 . 0 0 "[ . 1 . 2]" 1
219 1 19 GLN HE21 1 83 ILE HA . . 5.500 3.449 2.604 4.548 . 0 0 "[ . 1 . 2]" 1
220 1 19 GLN HE21 1 84 ILE HG13 . . 4.850 4.657 3.492 5.434 0.584 6 1 "[ .+ 1 . 2]" 1
221 1 19 GLN HE22 1 82 PRO HA . . 5.500 5.329 4.944 5.566 0.066 5 0 "[ . 1 . 2]" 1
222 1 19 GLN HE22 1 82 PRO HG3 . . 5.500 3.726 2.927 4.277 . 0 0 "[ . 1 . 2]" 1
223 1 19 GLN HE22 1 83 ILE HA . . 5.500 4.808 3.990 5.544 0.044 14 0 "[ . 1 . 2]" 1
224 1 19 GLN HE22 1 84 ILE MD . . 5.190 2.685 2.321 3.874 . 0 0 "[ . 1 . 2]" 1
225 1 19 GLN HE22 1 84 ILE HG13 . . 4.820 5.200 4.063 5.467 0.647 5 9 "[ +***-* *. ** 2]" 1
226 1 20 LEU H 1 20 LEU HB3 . . 4.090 3.652 3.589 3.788 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU H 1 20 LEU QD . . 3.880 2.854 1.668 3.351 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU H 1 20 LEU HG . . 3.760 2.365 2.063 3.088 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU H 1 21 ALA H . . 4.890 4.616 4.337 4.726 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU H 1 81 VAL QG . . 4.970 4.128 3.561 4.435 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU HA 1 20 LEU QD . . 3.270 2.264 2.071 3.126 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU HA 1 21 ALA H . . 3.210 2.379 2.188 2.608 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU HA 1 81 VAL HA . . 4.290 3.808 2.924 4.380 0.090 15 0 "[ . 1 . 2]" 1
234 1 20 LEU HA 1 81 VAL HB . . 4.910 4.665 4.029 4.973 0.063 19 0 "[ . 1 . 2]" 1
235 1 20 LEU HA 1 81 VAL QG . . 4.180 1.971 1.810 2.142 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU HB3 1 21 ALA H . . 5.500 2.415 1.816 2.818 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU HB3 1 24 ILE MG . . 3.950 2.485 2.044 2.906 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU QD 1 21 ALA H . . 4.270 3.421 2.993 3.679 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU QD 1 24 ILE HG13 . . 4.640 4.243 3.332 5.064 0.424 18 0 "[ . 1 . 2]" 1
240 1 20 LEU QD 1 24 ILE MG . . 3.310 2.470 2.122 3.110 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU QD 1 44 MET HB3 . . 5.500 4.550 3.495 6.171 0.671 16 2 "[- . 1 .+ 2]" 1
242 1 20 LEU QD 1 55 GLY HA2 . . 5.180 3.317 2.614 4.118 . 0 0 "[ . 1 . 2]" 1
243 1 20 LEU QD 1 55 GLY HA3 . . 4.830 3.877 2.889 4.791 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU QD 1 56 ILE H . . 5.500 2.979 2.397 3.908 . 0 0 "[ . 1 . 2]" 1
245 1 20 LEU QD 1 56 ILE HA . . 3.850 3.104 2.150 3.629 . 0 0 "[ . 1 . 2]" 1
246 1 20 LEU QD 1 57 ALA H . . 4.310 3.041 2.503 3.670 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU QD 1 57 ALA HA . . 5.500 3.901 3.521 4.179 . 0 0 "[ . 1 . 2]" 1
248 1 20 LEU QD 1 57 ALA MB . . 3.230 2.074 1.927 2.236 . 0 0 "[ . 1 . 2]" 1
249 1 20 LEU QD 1 58 TYR H . . 5.500 5.194 4.994 5.384 . 0 0 "[ . 1 . 2]" 1
250 1 20 LEU QD 1 81 VAL QG . . 3.030 2.228 1.887 2.712 . 0 0 "[ . 1 . 2]" 1
251 1 20 LEU HG 1 56 ILE HA . . 5.340 3.626 2.971 5.144 . 0 0 "[ . 1 . 2]" 1
252 1 21 ALA H 1 21 ALA MB . . 3.140 2.300 2.174 2.449 . 0 0 "[ . 1 . 2]" 1
253 1 21 ALA H 1 22 ALA H . . 4.950 4.523 4.285 4.655 . 0 0 "[ . 1 . 2]" 1
254 1 21 ALA H 1 23 ARG H . . 5.500 4.837 4.334 5.402 . 0 0 "[ . 1 . 2]" 1
255 1 21 ALA H 1 24 ILE H . . 5.500 4.667 4.179 5.398 . 0 0 "[ . 1 . 2]" 1
256 1 21 ALA H 1 24 ILE HB . . 4.850 3.066 2.597 3.979 . 0 0 "[ . 1 . 2]" 1
257 1 21 ALA H 1 24 ILE MD . . 5.490 3.132 2.386 4.427 . 0 0 "[ . 1 . 2]" 1
258 1 21 ALA H 1 81 VAL HB . . 4.760 4.569 2.861 4.831 0.071 7 0 "[ . 1 . 2]" 1
259 1 21 ALA H 1 81 VAL QG . . 4.120 2.015 1.742 2.292 . 0 0 "[ . 1 . 2]" 1
260 1 21 ALA HA 1 22 ALA H . . 2.850 2.352 2.167 2.893 0.043 16 0 "[ . 1 . 2]" 1
261 1 21 ALA HA 1 81 VAL QG . . 3.470 3.469 2.822 3.593 0.123 19 0 "[ . 1 . 2]" 1
262 1 21 ALA MB 1 22 ALA H . . 3.760 2.414 1.905 2.847 . 0 0 "[ . 1 . 2]" 1
263 1 21 ALA MB 1 23 ARG H . . 4.010 2.616 2.073 3.139 . 0 0 "[ . 1 . 2]" 1
264 1 21 ALA MB 1 24 ILE H . . 3.930 3.584 2.804 4.011 0.081 14 0 "[ . 1 . 2]" 1
265 1 21 ALA MB 1 24 ILE HA . . 4.390 3.934 2.782 4.489 0.099 15 0 "[ . 1 . 2]" 1
266 1 21 ALA MB 1 81 VAL HB . . 4.470 4.202 2.093 4.547 0.077 9 0 "[ . 1 . 2]" 1
267 1 21 ALA MB 1 81 VAL QG . . 2.990 1.959 1.765 2.537 . 0 0 "[ . 1 . 2]" 1
268 1 22 ALA H 1 22 ALA MB . . 3.120 2.211 2.117 2.476 . 0 0 "[ . 1 . 2]" 1
269 1 22 ALA H 1 23 ARG H . . 4.070 2.828 2.376 3.189 . 0 0 "[ . 1 . 2]" 1
270 1 22 ALA H 1 24 ILE H . . 5.380 4.792 4.189 5.435 0.055 9 0 "[ . 1 . 2]" 1
271 1 22 ALA H 1 81 VAL QG . . 4.930 4.750 4.270 5.065 0.135 11 0 "[ . 1 . 2]" 1
272 1 22 ALA HA 1 24 ILE H . . 4.370 4.217 3.823 4.441 0.071 11 0 "[ . 1 . 2]" 1
273 1 22 ALA HA 1 24 ILE MG . . 4.950 4.345 3.672 4.966 0.016 2 0 "[ . 1 . 2]" 1
274 1 22 ALA MB 1 23 ARG H . . 3.810 3.142 2.434 3.605 . 0 0 "[ . 1 . 2]" 1
275 1 23 ARG H 1 24 ILE H . . 3.570 2.630 2.027 3.210 . 0 0 "[ . 1 . 2]" 1
276 1 23 ARG H 1 24 ILE HA . . 5.500 4.418 3.959 5.030 . 0 0 "[ . 1 . 2]" 1
277 1 23 ARG H 1 24 ILE MG . . 4.960 3.993 2.865 4.838 . 0 0 "[ . 1 . 2]" 1
278 1 23 ARG HA 1 24 ILE MG . . 5.000 4.289 3.823 4.631 . 0 0 "[ . 1 . 2]" 1
279 1 24 ILE H 1 24 ILE HB . . 2.950 2.567 2.284 3.036 0.086 14 0 "[ . 1 . 2]" 1
280 1 24 ILE H 1 24 ILE MD . . 4.970 4.266 3.979 4.711 . 0 0 "[ . 1 . 2]" 1
281 1 24 ILE H 1 24 ILE HG13 . . 5.470 4.452 4.258 4.725 . 0 0 "[ . 1 . 2]" 1
282 1 24 ILE H 1 24 ILE MG . . 3.120 2.057 1.803 2.440 . 0 0 "[ . 1 . 2]" 1
283 1 24 ILE H 1 25 ARG H . . 4.560 4.591 4.338 4.633 0.073 2 0 "[ . 1 . 2]" 1
284 1 24 ILE HA 1 24 ILE MD . . 3.650 3.058 2.075 3.735 0.085 16 0 "[ . 1 . 2]" 1
285 1 24 ILE HA 1 24 ILE HG13 . . 3.790 2.527 2.220 3.133 . 0 0 "[ . 1 . 2]" 1
286 1 24 ILE HA 1 24 ILE MG . . 3.600 3.271 3.242 3.297 . 0 0 "[ . 1 . 2]" 1
287 1 24 ILE HA 1 25 ARG H . . 2.690 2.335 2.170 2.540 . 0 0 "[ . 1 . 2]" 1
288 1 24 ILE HA 1 28 ASP HB3 . . 4.480 4.779 4.385 5.311 0.831 6 4 "[ -+ *1* . 2]" 1
289 1 24 ILE HB 1 25 ARG H . . 5.020 4.066 3.885 4.246 . 0 0 "[ . 1 . 2]" 1
290 1 24 ILE MD 1 25 ARG H . . 4.990 3.502 2.216 4.163 . 0 0 "[ . 1 . 2]" 1
291 1 24 ILE MD 1 28 ASP H . . 4.530 4.486 4.144 4.623 0.093 18 0 "[ . 1 . 2]" 1
292 1 24 ILE MD 1 28 ASP HB3 . . 3.710 2.576 2.230 3.296 . 0 0 "[ . 1 . 2]" 1
293 1 24 ILE MD 1 29 LEU QD . . 2.400 2.019 1.777 2.435 0.035 15 0 "[ . 1 . 2]" 1
294 1 24 ILE HG13 1 24 ILE MG . . 3.100 2.964 2.388 3.245 0.145 16 0 "[ . 1 . 2]" 1
295 1 24 ILE HG13 1 25 ARG H . . 3.820 2.246 1.889 2.728 . 0 0 "[ . 1 . 2]" 1
296 1 24 ILE HG13 1 28 ASP HB3 . . 4.200 3.214 2.418 3.960 . 0 0 "[ . 1 . 2]" 1
297 1 24 ILE MG 1 25 ARG H . . 3.900 3.693 3.148 3.995 0.095 16 0 "[ . 1 . 2]" 1
298 1 25 ARG H 1 25 ARG HG3 . . 4.430 3.647 3.119 4.261 . 0 0 "[ . 1 . 2]" 1
299 1 25 ARG H 1 28 ASP H . . 4.370 3.573 3.113 4.002 . 0 0 "[ . 1 . 2]" 1
300 1 25 ARG H 1 28 ASP HA . . 5.500 5.110 4.788 5.439 . 0 0 "[ . 1 . 2]" 1
301 1 25 ARG H 1 28 ASP HB3 . . 3.980 3.974 3.505 4.336 0.356 9 0 "[ . 1 . 2]" 1
302 1 25 ARG H 1 29 LEU H . . 5.500 5.145 4.421 5.574 0.074 3 0 "[ . 1 . 2]" 1
303 1 25 ARG HB3 1 27 ARG H . . 3.110 2.478 1.914 3.041 . 0 0 "[ . 1 . 2]" 1
304 1 25 ARG HB3 1 28 ASP H . . 3.270 3.048 2.383 3.356 0.086 17 0 "[ . 1 . 2]" 1
305 1 26 PRO HA 1 29 LEU H . . 4.680 4.044 3.630 4.560 . 0 0 "[ . 1 . 2]" 1
306 1 26 PRO HA 1 29 LEU QD . . 4.310 2.539 2.112 3.967 . 0 0 "[ . 1 . 2]" 1
307 1 26 PRO HB3 1 27 ARG H . . 4.050 4.193 3.921 4.602 0.552 5 2 "[ - + 1 . 2]" 1
308 1 27 ARG H 1 27 ARG HB3 . . 3.190 2.644 2.220 3.233 0.043 3 0 "[ . 1 . 2]" 1
309 1 27 ARG H 1 27 ARG HG3 . . 5.120 4.358 3.671 4.671 . 0 0 "[ . 1 . 2]" 1
310 1 27 ARG H 1 28 ASP H . . 3.840 2.788 2.169 3.008 . 0 0 "[ . 1 . 2]" 1
311 1 27 ARG HA 1 27 ARG HB3 . . 2.980 2.980 2.580 3.050 0.070 6 0 "[ . 1 . 2]" 1
312 1 27 ARG HA 1 27 ARG HG3 . . 3.030 2.496 2.180 3.142 0.112 1 0 "[ . 1 . 2]" 1
313 1 27 ARG HA 1 30 GLU H . . 3.600 3.231 2.846 3.647 0.047 7 0 "[ . 1 . 2]" 1
314 1 27 ARG HA 1 30 GLU HG3 . . 4.890 3.324 2.119 4.535 . 0 0 "[ . 1 . 2]" 1
315 1 27 ARG HA 1 31 GLU H . . 4.240 3.896 3.604 4.241 0.001 10 0 "[ . 1 . 2]" 1
316 1 27 ARG HB3 1 28 ASP H . . 5.500 3.352 2.785 4.145 . 0 0 "[ . 1 . 2]" 1
317 1 27 ARG HG3 1 31 GLU H . . 5.500 4.022 3.370 4.866 . 0 0 "[ . 1 . 2]" 1
318 1 27 ARG HG3 1 31 GLU HG3 . . 5.090 3.554 2.409 5.434 0.344 16 0 "[ . 1 . 2]" 1
319 1 28 ASP H 1 28 ASP HB3 . . 3.490 3.565 3.255 3.686 0.196 5 0 "[ . 1 . 2]" 1
320 1 28 ASP H 1 29 LEU H . . 3.000 2.636 2.363 2.786 . 0 0 "[ . 1 . 2]" 1
321 1 28 ASP H 1 30 GLU H . . 4.420 4.310 4.063 4.495 0.075 5 0 "[ . 1 . 2]" 1
322 1 28 ASP HA 1 29 LEU QD . . 5.500 4.351 4.061 5.128 . 0 0 "[ . 1 . 2]" 1
323 1 28 ASP HA 1 31 GLU H . . 4.390 3.707 3.337 4.073 . 0 0 "[ . 1 . 2]" 1
324 1 28 ASP HB3 1 29 LEU H . . 3.840 3.665 3.053 4.097 0.257 11 0 "[ . 1 . 2]" 1
325 1 28 ASP HB3 1 29 LEU QD . . 4.530 3.258 2.700 3.683 . 0 0 "[ . 1 . 2]" 1
326 1 28 ASP HB3 1 30 GLU H . . 5.500 5.634 5.112 6.074 0.574 5 1 "[ + 1 . 2]" 1
327 1 28 ASP HB3 1 78 VAL QG . . 4.910 3.297 2.725 3.851 . 0 0 "[ . 1 . 2]" 1
328 1 29 LEU H 1 29 LEU HB3 . . 3.360 3.627 3.567 3.725 0.365 20 0 "[ . 1 . 2]" 1
329 1 29 LEU H 1 29 LEU QD . . 4.010 2.240 1.860 3.156 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU H 1 30 GLU H . . 3.280 2.518 2.231 2.685 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU H 1 31 GLU H . . 3.950 3.939 3.720 4.014 0.064 10 0 "[ . 1 . 2]" 1
332 1 29 LEU HA 1 29 LEU QD . . 3.010 2.118 1.999 2.316 . 0 0 "[ . 1 . 2]" 1
333 1 29 LEU HA 1 32 PHE H . . 4.310 3.712 3.104 4.212 . 0 0 "[ . 1 . 2]" 1
334 1 29 LEU HB3 1 29 LEU QD . . 3.270 2.397 2.126 2.583 . 0 0 "[ . 1 . 2]" 1
335 1 29 LEU HB3 1 30 GLU H . . 4.150 3.749 3.395 4.157 0.007 15 0 "[ . 1 . 2]" 1
336 1 29 LEU HB3 1 59 VAL QG . . 4.400 2.403 2.011 2.968 . 0 0 "[ . 1 . 2]" 1
337 1 29 LEU QD 1 32 PHE HB3 . . 4.980 4.372 3.607 4.828 . 0 0 "[ . 1 . 2]" 1
338 1 30 GLU H 1 30 GLU HB3 . . 3.560 2.692 2.157 3.556 . 0 0 "[ . 1 . 2]" 1
339 1 30 GLU H 1 30 GLU HG3 . . 4.660 3.264 2.046 4.085 . 0 0 "[ . 1 . 2]" 1
340 1 30 GLU H 1 31 GLU H . . 3.500 2.446 1.998 2.735 . 0 0 "[ . 1 . 2]" 1
341 1 30 GLU H 1 42 VAL QG . . 4.010 3.286 2.629 3.965 . 0 0 "[ . 1 . 2]" 1
342 1 30 GLU HA 1 30 GLU HG3 . . 3.940 3.718 3.581 3.925 . 0 0 "[ . 1 . 2]" 1
343 1 30 GLU HA 1 33 PHE H . . 4.850 3.572 3.168 4.013 . 0 0 "[ . 1 . 2]" 1
344 1 30 GLU HA 1 33 PHE HB3 . . 5.500 5.197 4.543 6.154 0.654 16 1 "[ . 1 .+ 2]" 1
345 1 30 GLU HA 1 34 SER H . . 5.440 4.310 3.751 5.334 . 0 0 "[ . 1 . 2]" 1
346 1 30 GLU HA 1 39 VAL QG . . 3.390 2.186 1.982 2.733 . 0 0 "[ . 1 . 2]" 1
347 1 30 GLU HA 1 59 VAL QG . . 5.500 3.057 2.355 3.751 . 0 0 "[ . 1 . 2]" 1
348 1 30 GLU HB3 1 39 VAL QG . . 5.500 2.543 1.958 3.252 . 0 0 "[ . 1 . 2]" 1
349 1 30 GLU HB3 1 42 VAL QG . . 4.490 2.446 1.982 3.353 . 0 0 "[ . 1 . 2]" 1
350 1 30 GLU HG3 1 39 VAL QG . . 4.380 3.866 2.485 4.568 0.188 7 0 "[ . 1 . 2]" 1
351 1 31 GLU H 1 31 GLU HG3 . . 3.830 3.450 2.479 3.811 . 0 0 "[ . 1 . 2]" 1
352 1 31 GLU H 1 32 PHE H . . 3.670 2.719 2.431 2.909 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLU HA 1 34 SER H . . 4.570 3.262 2.737 3.668 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLU HG3 1 32 PHE H . . 5.170 4.909 2.540 5.305 0.135 4 0 "[ . 1 . 2]" 1
355 1 32 PHE H 1 32 PHE HB3 . . 3.370 2.556 2.445 2.698 . 0 0 "[ . 1 . 2]" 1
356 1 32 PHE H 1 32 PHE QD . . 4.390 4.223 4.088 4.325 . 0 0 "[ . 1 . 2]" 1
357 1 32 PHE H 1 33 PHE H . . 3.740 2.812 2.622 3.036 . 0 0 "[ . 1 . 2]" 1
358 1 32 PHE H 1 34 SER H . . 4.220 4.009 3.551 4.211 . 0 0 "[ . 1 . 2]" 1
359 1 32 PHE H 1 78 VAL QG . . 5.500 3.959 3.397 4.652 . 0 0 "[ . 1 . 2]" 1
360 1 32 PHE HA 1 32 PHE QD . . 3.190 2.109 2.036 2.350 . 0 0 "[ . 1 . 2]" 1
361 1 32 PHE HA 1 32 PHE QE . . 4.230 4.323 4.308 4.333 0.103 9 0 "[ . 1 . 2]" 1
362 1 32 PHE HB3 1 33 PHE H . . 3.730 2.560 2.184 3.066 . 0 0 "[ . 1 . 2]" 1
363 1 32 PHE HB3 1 78 VAL QG . . 4.580 3.544 3.125 3.977 . 0 0 "[ . 1 . 2]" 1
364 1 32 PHE QD 1 33 PHE H . . 4.560 4.021 3.489 4.558 . 0 0 "[ . 1 . 2]" 1
365 1 32 PHE QD 1 33 PHE HZ . . 4.870 3.672 2.667 4.936 0.066 9 0 "[ . 1 . 2]" 1
366 1 32 PHE QD 1 73 LEU QD . . 4.000 3.667 3.065 4.026 0.026 17 0 "[ . 1 . 2]" 1
367 1 32 PHE QD 1 78 VAL QG . . 4.060 2.535 2.107 2.940 . 0 0 "[ . 1 . 2]" 1
368 1 32 PHE QD 1 83 ILE HB . . 5.120 4.588 3.750 5.192 0.072 12 0 "[ . 1 . 2]" 1
369 1 32 PHE QD 1 83 ILE MD . . 5.190 3.666 2.841 4.239 . 0 0 "[ . 1 . 2]" 1
370 1 32 PHE QD 1 83 ILE MG . . 4.130 4.055 3.595 4.234 0.104 7 0 "[ . 1 . 2]" 1
371 1 32 PHE QE 1 73 LEU QD . . 3.810 2.739 2.520 3.066 . 0 0 "[ . 1 . 2]" 1
372 1 32 PHE QE 1 76 GLN HB3 . . 3.990 3.754 2.685 4.711 0.721 15 1 "[ . 1 + 2]" 1
373 1 32 PHE QE 1 76 GLN HE21 . . 5.500 4.297 2.692 5.485 . 0 0 "[ . 1 . 2]" 1
374 1 32 PHE QE 1 78 VAL QG . . 4.230 3.058 2.492 3.883 . 0 0 "[ . 1 . 2]" 1
375 1 32 PHE QE 1 83 ILE HB . . 4.480 3.787 2.314 4.556 0.076 5 0 "[ . 1 . 2]" 1
376 1 32 PHE QE 1 83 ILE MD . . 4.090 3.501 2.536 4.039 . 0 0 "[ . 1 . 2]" 1
377 1 32 PHE QE 1 83 ILE MG . . 3.970 2.516 2.150 2.787 . 0 0 "[ . 1 . 2]" 1
378 1 32 PHE HZ 1 73 LEU HB3 . . 3.760 2.402 2.040 3.505 . 0 0 "[ . 1 . 2]" 1
379 1 32 PHE HZ 1 76 GLN H . . 5.440 4.464 3.921 4.904 . 0 0 "[ . 1 . 2]" 1
380 1 32 PHE HZ 1 76 GLN HB3 . . 3.390 3.414 2.742 4.429 1.039 2 1 "[ + . 1 . 2]" 1
381 1 32 PHE HZ 1 76 GLN HE21 . . 5.500 3.868 1.833 5.576 0.076 2 0 "[ . 1 . 2]" 1
382 1 32 PHE HZ 1 77 ARG H . . 5.500 4.953 3.128 5.533 0.033 2 0 "[ . 1 . 2]" 1
383 1 32 PHE HZ 1 78 VAL QG . . 4.920 3.943 2.851 4.819 . 0 0 "[ . 1 . 2]" 1
384 1 32 PHE HZ 1 83 ILE MG . . 4.020 3.822 2.966 4.099 0.079 9 0 "[ . 1 . 2]" 1
385 1 33 PHE H 1 33 PHE HB3 . . 3.370 3.623 3.542 3.819 0.449 14 0 "[ . 1 . 2]" 1
386 1 33 PHE H 1 34 SER H . . 3.500 2.544 1.999 2.985 . 0 0 "[ . 1 . 2]" 1
387 1 33 PHE H 1 34 SER HA . . 5.500 5.079 4.731 5.479 . 0 0 "[ . 1 . 2]" 1
388 1 33 PHE H 1 35 THR H . . 5.150 4.340 3.553 4.675 . 0 0 "[ . 1 . 2]" 1
389 1 33 PHE H 1 39 VAL QG . . 4.610 4.065 3.551 4.552 . 0 0 "[ . 1 . 2]" 1
390 1 33 PHE H 1 59 VAL QG . . 5.500 4.839 4.239 5.123 . 0 0 "[ . 1 . 2]" 1
391 1 33 PHE HA 1 36 VAL QG . . 3.920 3.123 2.435 3.893 . 0 0 "[ . 1 . 2]" 1
392 1 33 PHE HB3 1 34 SER H . . 4.410 4.082 3.673 4.646 0.236 16 0 "[ . 1 . 2]" 1
393 1 33 PHE HB3 1 39 VAL QG . . 3.670 3.696 2.844 4.744 1.074 3 5 "[ + .- 1 *** 2]" 1
394 1 33 PHE HB3 1 59 VAL QG . . 4.590 4.856 4.434 5.603 1.013 16 3 "[ -. * 1 .+ 2]" 1
395 1 33 PHE QD 1 39 VAL QG . . 4.110 2.873 2.216 3.646 . 0 0 "[ . 1 . 2]" 1
396 1 33 PHE QD 1 59 VAL QG . . 4.240 2.462 2.086 3.135 . 0 0 "[ . 1 . 2]" 1
397 1 33 PHE QD 1 70 ALA HA . . 4.920 3.870 2.992 4.675 . 0 0 "[ . 1 . 2]" 1
398 1 33 PHE QD 1 70 ALA MB . . 3.610 3.566 3.137 3.740 0.130 11 0 "[ . 1 . 2]" 1
399 1 33 PHE QE 1 59 VAL QG . . 4.490 2.274 1.951 3.064 . 0 0 "[ . 1 . 2]" 1
400 1 33 PHE QE 1 70 ALA H . . 5.500 5.118 4.337 5.585 0.085 11 0 "[ . 1 . 2]" 1
401 1 33 PHE QE 1 70 ALA MB . . 3.530 2.656 2.243 3.232 . 0 0 "[ . 1 . 2]" 1
402 1 33 PHE QE 1 83 ILE MG . . 3.820 3.570 2.955 3.929 0.109 19 0 "[ . 1 . 2]" 1
403 1 33 PHE HZ 1 70 ALA MB . . 3.610 3.158 2.691 3.692 0.082 16 0 "[ . 1 . 2]" 1
404 1 34 SER H 1 34 SER HB3 . . 3.650 2.687 2.402 3.151 . 0 0 "[ . 1 . 2]" 1
405 1 34 SER H 1 35 THR H . . 3.510 2.803 2.350 3.009 . 0 0 "[ . 1 . 2]" 1
406 1 34 SER H 1 35 THR MG . . 5.500 4.109 3.475 4.608 . 0 0 "[ . 1 . 2]" 1
407 1 34 SER H 1 36 VAL H . . 4.440 4.471 4.311 4.522 0.082 12 0 "[ . 1 . 2]" 1
408 1 34 SER H 1 39 VAL QG . . 4.470 3.904 3.044 4.487 0.017 9 0 "[ . 1 . 2]" 1
409 1 34 SER HA 1 36 VAL H . . 4.630 3.664 3.187 3.999 . 0 0 "[ . 1 . 2]" 1
410 1 34 SER HA 1 37 GLY H . . 3.880 3.100 2.714 3.926 0.046 3 0 "[ . 1 . 2]" 1
411 1 34 SER HA 1 38 LYS HA . . 4.440 3.462 2.432 4.484 0.044 4 0 "[ . 1 . 2]" 1
412 1 34 SER HA 1 39 VAL H . . 5.360 4.641 4.010 5.193 . 0 0 "[ . 1 . 2]" 1
413 1 35 THR H 1 35 THR MG . . 3.130 2.144 1.840 2.420 . 0 0 "[ . 1 . 2]" 1
414 1 35 THR H 1 36 VAL H . . 3.210 2.665 2.430 2.836 . 0 0 "[ . 1 . 2]" 1
415 1 35 THR H 1 36 VAL QG . . 4.850 3.622 3.207 4.057 . 0 0 "[ . 1 . 2]" 1
416 1 35 THR HA 1 35 THR MG . . 3.170 2.950 2.252 3.265 0.095 11 0 "[ . 1 . 2]" 1
417 1 35 THR MG 1 36 VAL H . . 4.130 3.141 2.351 4.159 0.029 12 0 "[ . 1 . 2]" 1
418 1 35 THR MG 1 36 VAL QG . . 3.750 2.586 1.854 3.666 . 0 0 "[ . 1 . 2]" 1
419 1 36 VAL H 1 36 VAL QG . . 3.030 2.249 1.903 2.436 . 0 0 "[ . 1 . 2]" 1
420 1 36 VAL HA 1 36 VAL HB . . 2.890 2.542 2.453 2.646 . 0 0 "[ . 1 . 2]" 1
421 1 36 VAL HA 1 36 VAL QG . . 3.020 2.226 2.110 2.292 . 0 0 "[ . 1 . 2]" 1
422 1 36 VAL HA 1 37 GLY H . . 3.300 3.091 2.562 3.385 0.085 18 0 "[ . 1 . 2]" 1
423 1 36 VAL HB 1 37 GLY H . . 4.560 4.383 4.010 4.571 0.011 9 0 "[ . 1 . 2]" 1
424 1 36 VAL HB 1 37 GLY HA2 . . 5.110 5.169 4.792 5.976 0.866 6 2 "[ - .+ 1 . 2]" 1
425 1 36 VAL QG 1 37 GLY H . . 4.090 3.401 2.759 3.825 . 0 0 "[ . 1 . 2]" 1
426 1 36 VAL QG 1 37 GLY HA2 . . 5.480 4.474 3.797 5.020 . 0 0 "[ . 1 . 2]" 1
427 1 36 VAL QG 1 37 GLY HA3 . . 5.500 3.786 2.828 4.474 . 0 0 "[ . 1 . 2]" 1
428 1 36 VAL QG 1 69 LEU HB3 . . 4.720 3.911 2.905 4.660 . 0 0 "[ . 1 . 2]" 1
429 1 36 VAL QG 1 69 LEU QD . . 2.400 1.946 1.756 2.349 . 0 0 "[ . 1 . 2]" 1
430 1 37 GLY H 1 38 LYS H . . 4.510 4.296 4.072 4.437 . 0 0 "[ . 1 . 2]" 1
431 1 37 GLY HA2 1 38 LYS H . . 3.270 2.678 2.262 3.137 . 0 0 "[ . 1 . 2]" 1
432 1 37 GLY HA2 1 38 LYS HA . . 4.750 4.532 3.925 4.784 0.034 2 0 "[ . 1 . 2]" 1
433 1 37 GLY HA3 1 38 LYS H . . 3.300 2.552 2.201 3.026 . 0 0 "[ . 1 . 2]" 1
434 1 37 GLY HA3 1 38 LYS HA . . 4.540 4.455 4.281 4.776 0.236 17 0 "[ . 1 . 2]" 1
435 1 38 LYS H 1 39 VAL H . . 4.610 4.205 2.903 4.641 0.031 17 0 "[ . 1 . 2]" 1
436 1 38 LYS H 1 61 PHE QD . . 4.640 3.801 2.521 4.699 0.059 17 0 "[ . 1 . 2]" 1
437 1 38 LYS H 1 62 VAL QG . . 4.640 3.924 2.238 4.582 . 0 0 "[ . 1 . 2]" 1
438 1 38 LYS HA 1 39 VAL H . . 2.670 2.252 1.997 2.722 0.052 10 0 "[ . 1 . 2]" 1
439 1 38 LYS HA 1 39 VAL HA . . 4.960 4.479 4.337 4.757 . 0 0 "[ . 1 . 2]" 1
440 1 38 LYS HA 1 39 VAL QG . . 4.240 3.525 3.171 3.785 . 0 0 "[ . 1 . 2]" 1
441 1 38 LYS HB3 1 39 VAL H . . 4.760 4.019 3.720 4.571 . 0 0 "[ . 1 . 2]" 1
442 1 38 LYS HB3 1 62 VAL QG . . 3.710 3.558 2.474 4.456 0.746 12 3 "[ . * -1 + . 2]" 1
443 1 39 VAL H 1 39 VAL HB . . 3.080 2.547 2.165 3.160 0.080 14 0 "[ . 1 . 2]" 1
444 1 39 VAL H 1 39 VAL QG . . 3.250 2.455 1.917 3.099 . 0 0 "[ . 1 . 2]" 1
445 1 39 VAL H 1 40 ARG H . . 5.280 4.508 4.232 4.764 . 0 0 "[ . 1 . 2]" 1
446 1 39 VAL H 1 61 PHE HA . . 5.500 4.998 4.519 5.564 0.064 20 0 "[ . 1 . 2]" 1
447 1 39 VAL H 1 61 PHE QD . . 5.500 5.243 3.969 5.611 0.111 10 0 "[ . 1 . 2]" 1
448 1 39 VAL HA 1 39 VAL QG . . 3.230 2.214 2.042 2.570 . 0 0 "[ . 1 . 2]" 1
449 1 39 VAL HA 1 40 ARG H . . 2.940 2.215 2.070 2.441 . 0 0 "[ . 1 . 2]" 1
450 1 39 VAL HA 1 41 ASP H . . 4.210 4.233 3.982 4.301 0.091 6 0 "[ . 1 . 2]" 1
451 1 39 VAL HA 1 59 VAL QG . . 4.870 4.089 3.319 4.900 0.030 19 0 "[ . 1 . 2]" 1
452 1 39 VAL HA 1 61 PHE QD . . 4.360 3.510 2.667 4.369 0.009 5 0 "[ . 1 . 2]" 1
453 1 39 VAL HA 1 62 VAL H . . 3.590 3.108 2.256 3.566 . 0 0 "[ . 1 . 2]" 1
454 1 39 VAL HB 1 59 VAL QG . . 4.710 3.936 3.342 4.394 . 0 0 "[ . 1 . 2]" 1
455 1 39 VAL QG 1 40 ARG H . . 3.550 2.395 1.994 2.704 . 0 0 "[ . 1 . 2]" 1
456 1 39 VAL QG 1 40 ARG HB3 . . 5.450 4.036 3.774 4.687 . 0 0 "[ . 1 . 2]" 1
457 1 39 VAL QG 1 41 ASP H . . 3.480 2.474 2.118 2.835 . 0 0 "[ . 1 . 2]" 1
458 1 39 VAL QG 1 59 VAL QG . . 3.160 1.905 1.772 2.091 . 0 0 "[ . 1 . 2]" 1
459 1 39 VAL QG 1 60 GLU H . . 4.370 3.303 2.564 3.917 . 0 0 "[ . 1 . 2]" 1
460 1 39 VAL QG 1 61 PHE H . . 5.500 4.204 2.952 4.889 . 0 0 "[ . 1 . 2]" 1
461 1 39 VAL QG 1 61 PHE HA . . 4.210 2.908 2.059 3.433 . 0 0 "[ . 1 . 2]" 1
462 1 39 VAL QG 1 62 VAL QG . . 4.210 3.803 3.565 4.034 . 0 0 "[ . 1 . 2]" 1
463 1 40 ARG H 1 40 ARG HB3 . . 3.850 2.467 2.174 2.879 . 0 0 "[ . 1 . 2]" 1
464 1 40 ARG H 1 41 ASP H . . 3.290 2.344 2.049 2.532 . 0 0 "[ . 1 . 2]" 1
465 1 40 ARG H 1 59 VAL QG . . 5.100 4.268 3.795 4.965 . 0 0 "[ . 1 . 2]" 1
466 1 40 ARG H 1 60 GLU H . . 5.500 4.475 4.125 4.954 . 0 0 "[ . 1 . 2]" 1
467 1 40 ARG H 1 61 PHE H . . 4.620 4.522 4.261 4.672 0.052 2 0 "[ . 1 . 2]" 1
468 1 40 ARG H 1 61 PHE HA . . 3.910 2.729 2.314 3.073 . 0 0 "[ . 1 . 2]" 1
469 1 40 ARG H 1 61 PHE HB3 . . 5.500 5.381 5.037 5.581 0.081 15 0 "[ . 1 . 2]" 1
470 1 40 ARG H 1 61 PHE QD . . 5.420 4.703 4.017 5.359 . 0 0 "[ . 1 . 2]" 1
471 1 40 ARG H 1 62 VAL H . . 4.570 3.790 3.414 4.303 . 0 0 "[ . 1 . 2]" 1
472 1 40 ARG HA 1 62 VAL QG . . 3.900 2.653 2.201 3.096 . 0 0 "[ . 1 . 2]" 1
473 1 40 ARG HB3 1 41 ASP H . . 4.220 2.646 2.186 4.046 . 0 0 "[ . 1 . 2]" 1
474 1 40 ARG HB3 1 61 PHE HA . . 4.980 4.203 3.303 4.818 . 0 0 "[ . 1 . 2]" 1
475 1 40 ARG HB3 1 62 VAL QG . . 4.060 3.451 1.976 3.839 . 0 0 "[ . 1 . 2]" 1
476 1 41 ASP H 1 41 ASP HB3 . . 4.070 3.353 2.855 3.874 . 0 0 "[ . 1 . 2]" 1
477 1 41 ASP H 1 42 VAL QG . . 4.770 4.211 3.467 4.870 0.100 6 0 "[ . 1 . 2]" 1
478 1 41 ASP H 1 59 VAL QG . . 5.360 4.020 3.492 4.634 . 0 0 "[ . 1 . 2]" 1
479 1 41 ASP H 1 60 GLU H . . 4.080 3.204 2.981 3.726 . 0 0 "[ . 1 . 2]" 1
480 1 41 ASP H 1 61 PHE H . . 5.500 5.281 4.999 5.560 0.060 2 0 "[ . 1 . 2]" 1
481 1 41 ASP HA 1 42 VAL H . . 2.980 2.516 2.137 2.791 . 0 0 "[ . 1 . 2]" 1
482 1 41 ASP HA 1 42 VAL QG . . 4.460 3.198 2.622 3.930 . 0 0 "[ . 1 . 2]" 1
483 1 41 ASP HB3 1 42 VAL H . . 4.140 3.177 2.512 4.049 . 0 0 "[ . 1 . 2]" 1
484 1 42 VAL H 1 42 VAL HB . . 3.470 2.989 2.425 3.570 0.100 5 0 "[ . 1 . 2]" 1
485 1 42 VAL H 1 42 VAL QG . . 3.860 2.434 1.820 3.026 . 0 0 "[ . 1 . 2]" 1
486 1 42 VAL H 1 43 ARG H . . 5.380 4.308 3.803 4.590 . 0 0 "[ . 1 . 2]" 1
487 1 42 VAL H 1 59 VAL QG . . 5.500 4.534 3.854 5.168 . 0 0 "[ . 1 . 2]" 1
488 1 42 VAL HA 1 42 VAL QG . . 3.150 2.221 2.076 2.461 . 0 0 "[ . 1 . 2]" 1
489 1 42 VAL HA 1 43 ARG H . . 2.990 2.269 2.125 2.469 . 0 0 "[ . 1 . 2]" 1
490 1 42 VAL HA 1 59 VAL HA . . 3.310 2.464 2.128 3.259 . 0 0 "[ . 1 . 2]" 1
491 1 42 VAL HA 1 59 VAL QG . . 4.030 2.681 2.029 3.260 . 0 0 "[ . 1 . 2]" 1
492 1 42 VAL HA 1 60 GLU H . . 4.290 3.227 2.513 3.753 . 0 0 "[ . 1 . 2]" 1
493 1 42 VAL QG 1 43 ARG H . . 4.780 2.929 2.236 3.782 . 0 0 "[ . 1 . 2]" 1
494 1 42 VAL QG 1 43 ARG HA . . 4.070 3.831 3.540 4.201 0.131 8 0 "[ . 1 . 2]" 1
495 1 42 VAL QG 1 59 VAL QG . . 3.740 2.049 1.722 2.936 . 0 0 "[ . 1 . 2]" 1
496 1 42 VAL QG 1 60 GLU H . . 4.730 4.031 3.110 4.745 0.015 9 0 "[ . 1 . 2]" 1
497 1 43 ARG H 1 44 MET H . . 4.870 3.961 2.740 4.725 . 0 0 "[ . 1 . 2]" 1
498 1 43 ARG H 1 57 ALA MB . . 5.440 3.945 3.334 5.288 . 0 0 "[ . 1 . 2]" 1
499 1 43 ARG H 1 59 VAL HA . . 4.190 3.063 1.968 3.746 . 0 0 "[ . 1 . 2]" 1
500 1 43 ARG H 1 59 VAL QG . . 4.440 3.556 2.450 4.238 . 0 0 "[ . 1 . 2]" 1
501 1 43 ARG H 1 60 GLU H . . 5.500 4.330 3.135 5.245 . 0 0 "[ . 1 . 2]" 1
502 1 43 ARG HA 1 44 MET H . . 3.170 2.326 2.113 2.743 . 0 0 "[ . 1 . 2]" 1
503 1 44 MET H 1 44 MET HB3 . . 4.000 3.247 2.167 3.810 . 0 0 "[ . 1 . 2]" 1
504 1 44 MET H 1 44 MET HG3 . . 4.200 3.241 2.046 4.289 0.089 16 0 "[ . 1 . 2]" 1
505 1 44 MET H 1 45 ILE H . . 4.630 4.476 4.154 4.689 0.059 8 0 "[ . 1 . 2]" 1
506 1 44 MET H 1 45 ILE MD . . 5.220 4.609 3.831 5.321 0.101 8 0 "[ . 1 . 2]" 1
507 1 44 MET HA 1 45 ILE MD . . 3.750 2.787 2.234 3.859 0.109 8 0 "[ . 1 . 2]" 1
508 1 44 MET HB3 1 45 ILE H . . 4.360 3.711 2.654 4.441 0.081 1 0 "[ . 1 . 2]" 1
509 1 44 MET HB3 1 57 ALA HA . . 5.500 4.275 3.021 5.946 0.446 16 0 "[ . 1 . 2]" 1
510 1 44 MET HB3 1 57 ALA MB . . 4.550 3.216 1.997 4.818 0.268 16 0 "[ . 1 . 2]" 1
511 1 44 MET ME 1 45 ILE H . . 5.080 4.487 2.812 5.179 0.099 9 0 "[ . 1 . 2]" 1
512 1 44 MET ME 1 57 ALA MB . . 3.920 3.422 2.104 4.045 0.125 7 0 "[ . 1 . 2]" 1
513 1 44 MET HG3 1 45 ILE H . . 5.500 4.305 2.535 5.406 . 0 0 "[ . 1 . 2]" 1
514 1 44 MET HG3 1 57 ALA MB . . 4.830 3.970 2.082 5.372 0.542 6 1 "[ .+ 1 . 2]" 1
515 1 45 ILE H 1 45 ILE HB . . 3.390 2.671 2.285 3.015 . 0 0 "[ . 1 . 2]" 1
516 1 45 ILE H 1 45 ILE MD . . 5.170 2.140 1.681 3.097 . 0 0 "[ . 1 . 2]" 1
517 1 45 ILE H 1 45 ILE HG13 . . 3.930 3.290 2.798 3.913 . 0 0 "[ . 1 . 2]" 1
518 1 45 ILE H 1 45 ILE MG . . 4.070 3.845 3.582 3.962 . 0 0 "[ . 1 . 2]" 1
519 1 45 ILE H 1 46 SER H . . 4.890 4.068 3.027 4.588 . 0 0 "[ . 1 . 2]" 1
520 1 45 ILE H 1 56 ILE H . . 5.170 4.403 3.549 5.235 0.065 16 0 "[ . 1 . 2]" 1
521 1 45 ILE H 1 56 ILE MD . . 4.450 4.168 2.192 4.583 0.133 8 0 "[ . 1 . 2]" 1
522 1 45 ILE H 1 57 ALA HA . . 3.310 3.074 2.273 3.390 0.080 5 0 "[ . 1 . 2]" 1
523 1 45 ILE HA 1 45 ILE MD . . 3.560 3.424 2.276 3.650 0.090 18 0 "[ . 1 . 2]" 1
524 1 45 ILE HA 1 45 ILE HG13 . . 4.030 2.640 2.291 3.922 . 0 0 "[ . 1 . 2]" 1
525 1 45 ILE HA 1 45 ILE MG . . 3.310 2.314 2.117 2.568 . 0 0 "[ . 1 . 2]" 1
526 1 45 ILE HA 1 46 SER H . . 2.990 2.312 2.177 2.626 . 0 0 "[ . 1 . 2]" 1
527 1 45 ILE HA 1 47 ASP H . . 5.040 4.012 2.625 5.095 0.055 10 0 "[ . 1 . 2]" 1
528 1 45 ILE HA 1 56 ILE MD . . 5.500 4.756 3.871 5.397 . 0 0 "[ . 1 . 2]" 1
529 1 45 ILE HB 1 46 SER H . . 4.590 4.268 3.039 4.630 0.040 19 0 "[ . 1 . 2]" 1
530 1 45 ILE HB 1 56 ILE HB . . 3.930 3.923 3.479 4.016 0.086 14 0 "[ . 1 . 2]" 1
531 1 45 ILE HB 1 56 ILE MD . . 3.660 2.446 1.897 3.364 . 0 0 "[ . 1 . 2]" 1
532 1 45 ILE HB 1 56 ILE HG13 . . 4.840 2.400 2.062 4.342 . 0 0 "[ . 1 . 2]" 1
533 1 45 ILE MD 1 56 ILE MD . . 2.400 2.394 2.172 2.508 0.108 11 0 "[ . 1 . 2]" 1
534 1 45 ILE MD 1 57 ALA HA . . 4.380 2.348 1.969 3.609 . 0 0 "[ . 1 . 2]" 1
535 1 45 ILE MD 1 58 TYR H . . 4.980 3.276 2.421 4.207 . 0 0 "[ . 1 . 2]" 1
536 1 45 ILE MD 1 58 TYR QD . . 3.630 2.184 1.942 2.694 . 0 0 "[ . 1 . 2]" 1
537 1 45 ILE MD 1 58 TYR QE . . 3.320 2.201 2.007 2.590 . 0 0 "[ . 1 . 2]" 1
538 1 45 ILE HG13 1 57 ALA HA . . 4.670 4.548 3.345 4.752 0.082 6 0 "[ . 1 . 2]" 1
539 1 45 ILE HG13 1 58 TYR QE . . 5.500 4.177 2.904 5.338 . 0 0 "[ . 1 . 2]" 1
540 1 45 ILE MG 1 46 SER H . . 3.740 3.167 1.736 3.860 0.120 14 0 "[ . 1 . 2]" 1
541 1 45 ILE MG 1 47 ASP H . . 5.480 3.175 1.811 4.178 . 0 0 "[ . 1 . 2]" 1
542 1 45 ILE MG 1 47 ASP HB3 . . 5.500 4.389 2.555 5.592 0.092 8 0 "[ . 1 . 2]" 1
543 1 45 ILE MG 1 48 ARG H . . 5.500 4.923 3.683 5.620 0.120 13 0 "[ . 1 . 2]" 1
544 1 45 ILE MG 1 58 TYR QE . . 5.500 4.830 3.884 5.584 0.084 13 0 "[ . 1 . 2]" 1
545 1 46 SER HA 1 47 ASP H . . 3.050 2.685 2.141 3.141 0.091 8 0 "[ . 1 . 2]" 1
546 1 47 ASP H 1 47 ASP HB3 . . 3.690 3.186 2.249 3.782 0.092 11 0 "[ . 1 . 2]" 1
547 1 47 ASP HA 1 48 ARG H . . 3.390 2.705 2.148 3.454 0.064 18 0 "[ . 1 . 2]" 1
548 1 47 ASP HB3 1 48 ARG H . . 4.570 3.535 2.072 4.385 . 0 0 "[ . 1 . 2]" 1
549 1 48 ARG HA 1 50 SER H . . 5.260 4.533 3.740 5.242 . 0 0 "[ . 1 . 2]" 1
550 1 49 ASN H 1 49 ASN HD21 . . 5.260 3.339 2.089 4.775 . 0 0 "[ . 1 . 2]" 1
551 1 49 ASN H 1 49 ASN HD22 . . 5.500 4.207 2.994 5.549 0.049 13 0 "[ . 1 . 2]" 1
552 1 49 ASN H 1 50 SER H . . 3.730 2.702 1.615 3.802 0.072 4 0 "[ . 1 . 2]" 1
553 1 49 ASN HA 1 49 ASN HB3 . . 2.980 2.524 2.268 3.000 0.020 13 0 "[ . 1 . 2]" 1
554 1 49 ASN HB3 1 49 ASN HD21 . . 3.580 3.089 2.144 3.644 0.064 11 0 "[ . 1 . 2]" 1
555 1 49 ASN HB3 1 50 SER H . . 4.200 4.118 2.681 4.635 0.435 9 0 "[ . 1 . 2]" 1
556 1 49 ASN HD21 1 50 SER H . . 5.500 4.740 2.665 5.585 0.085 6 0 "[ . 1 . 2]" 1
557 1 51 ARG H 1 52 ARG H . . 4.090 2.746 1.824 4.169 0.079 2 0 "[ . 1 . 2]" 1
558 1 52 ARG H 1 54 LYS H . . 4.850 4.396 3.008 4.936 0.086 6 0 "[ . 1 . 2]" 1
559 1 53 SER HA 1 53 SER HB3 . . 2.880 2.483 2.274 3.020 0.140 3 0 "[ . 1 . 2]" 1
560 1 53 SER HA 1 54 LYS HG3 . . 4.460 4.541 3.234 6.118 1.658 10 5 "[* . +* . - *]" 1
561 1 53 SER HA 1 56 ILE MD . . 5.500 4.617 2.802 5.620 0.120 13 0 "[ . 1 . 2]" 1
562 1 53 SER HB3 1 56 ILE MD . . 4.680 3.808 2.172 4.788 0.108 13 0 "[ . 1 . 2]" 1
563 1 54 LYS H 1 54 LYS HG3 . . 4.140 3.261 2.091 4.897 0.757 10 1 "[ . + . 2]" 1
564 1 54 LYS H 1 55 GLY H . . 3.750 2.966 2.385 3.469 . 0 0 "[ . 1 . 2]" 1
565 1 54 LYS HA 1 54 LYS HG3 . . 3.300 3.402 2.620 3.958 0.658 20 2 "[ . - . +]" 1
566 1 54 LYS HA 1 55 GLY H . . 3.230 2.975 2.339 3.311 0.081 20 0 "[ . 1 . 2]" 1
567 1 54 LYS HA 1 55 GLY HA2 . . 5.500 4.513 4.080 4.898 . 0 0 "[ . 1 . 2]" 1
568 1 54 LYS HG3 1 55 GLY H . . 5.390 4.667 2.627 6.012 0.622 1 1 "[+ . 1 . 2]" 1
569 1 55 GLY H 1 56 ILE H . . 4.560 3.097 2.415 3.890 . 0 0 "[ . 1 . 2]" 1
570 1 55 GLY H 1 56 ILE MG . . 5.500 3.543 2.890 4.329 . 0 0 "[ . 1 . 2]" 1
571 1 55 GLY HA2 1 56 ILE H . . 3.430 2.448 2.193 2.842 . 0 0 "[ . 1 . 2]" 1
572 1 55 GLY HA3 1 56 ILE MG . . 5.140 4.236 3.782 4.665 . 0 0 "[ . 1 . 2]" 1
573 1 56 ILE H 1 56 ILE MD . . 4.360 3.945 1.824 4.282 . 0 0 "[ . 1 . 2]" 1
574 1 56 ILE H 1 56 ILE HG13 . . 4.900 2.697 2.250 3.222 . 0 0 "[ . 1 . 2]" 1
575 1 56 ILE H 1 57 ALA H . . 4.870 4.302 4.040 4.453 . 0 0 "[ . 1 . 2]" 1
576 1 56 ILE HA 1 56 ILE HG13 . . 4.060 3.771 3.664 3.891 . 0 0 "[ . 1 . 2]" 1
577 1 56 ILE HA 1 56 ILE MG . . 3.400 2.180 2.125 2.269 . 0 0 "[ . 1 . 2]" 1
578 1 56 ILE HA 1 57 ALA H . . 3.260 2.213 2.077 2.405 . 0 0 "[ . 1 . 2]" 1
579 1 56 ILE HB 1 56 ILE MD . . 3.280 2.356 2.242 2.545 . 0 0 "[ . 1 . 2]" 1
580 1 56 ILE HB 1 57 ALA H . . 3.490 3.143 2.717 3.544 0.054 4 0 "[ . 1 . 2]" 1
581 1 56 ILE MD 1 58 TYR QE . . 4.340 3.602 2.274 4.446 0.106 6 0 "[ . 1 . 2]" 1
582 1 56 ILE HG13 1 56 ILE MG . . 3.070 3.189 2.268 3.271 0.201 18 0 "[ . 1 . 2]" 1
583 1 56 ILE HG13 1 57 ALA H . . 5.320 4.684 4.420 5.363 0.043 6 0 "[ . 1 . 2]" 1
584 1 56 ILE MG 1 57 ALA H . . 4.040 3.583 3.277 3.813 . 0 0 "[ . 1 . 2]" 1
585 1 57 ALA H 1 57 ALA MB . . 3.500 2.727 2.585 2.836 . 0 0 "[ . 1 . 2]" 1
586 1 57 ALA H 1 58 TYR H . . 4.610 4.295 4.201 4.434 . 0 0 "[ . 1 . 2]" 1
587 1 57 ALA H 1 58 TYR QE . . 5.220 4.971 4.490 5.302 0.082 16 0 "[ . 1 . 2]" 1
588 1 57 ALA HA 1 58 TYR H . . 2.920 2.338 2.210 2.556 . 0 0 "[ . 1 . 2]" 1
589 1 57 ALA HA 1 58 TYR HA . . 4.780 4.572 4.497 4.674 . 0 0 "[ . 1 . 2]" 1
590 1 57 ALA HA 1 58 TYR QD . . 3.950 3.362 2.971 3.813 . 0 0 "[ . 1 . 2]" 1
591 1 57 ALA HA 1 58 TYR QE . . 4.820 4.659 4.281 4.906 0.086 17 0 "[ . 1 . 2]" 1
592 1 57 ALA MB 1 58 TYR H . . 3.210 2.684 2.391 3.018 . 0 0 "[ . 1 . 2]" 1
593 1 57 ALA MB 1 59 VAL QG . . 3.040 2.922 2.345 3.143 0.103 9 0 "[ . 1 . 2]" 1
594 1 58 TYR H 1 58 TYR QD . . 3.680 2.664 2.527 2.951 . 0 0 "[ . 1 . 2]" 1
595 1 58 TYR H 1 58 TYR QE . . 4.710 4.796 4.739 4.808 0.098 4 0 "[ . 1 . 2]" 1
596 1 58 TYR H 1 59 VAL QG . . 5.340 3.975 3.551 4.291 . 0 0 "[ . 1 . 2]" 1
597 1 58 TYR HA 1 58 TYR QD . . 3.770 3.186 2.849 3.375 . 0 0 "[ . 1 . 2]" 1
598 1 58 TYR HA 1 58 TYR QE . . 4.940 4.848 4.678 5.003 0.063 12 0 "[ . 1 . 2]" 1
599 1 58 TYR HA 1 59 VAL H . . 2.870 2.289 2.135 2.521 . 0 0 "[ . 1 . 2]" 1
600 1 58 TYR HA 1 59 VAL QG . . 5.040 3.426 2.800 3.874 . 0 0 "[ . 1 . 2]" 1
601 1 58 TYR QD 1 59 VAL H . . 4.900 4.570 4.031 5.001 0.101 7 0 "[ . 1 . 2]" 1
602 1 58 TYR QD 1 88 SER HB3 . . 4.450 3.919 2.324 4.541 0.091 6 0 "[ . 1 . 2]" 1
603 1 58 TYR QE 1 88 SER HA . . 4.330 3.746 2.488 4.414 0.084 3 0 "[ . 1 . 2]" 1
604 1 59 VAL H 1 59 VAL HB . . 3.410 2.875 2.273 3.515 0.105 9 0 "[ . 1 . 2]" 1
605 1 59 VAL H 1 59 VAL QG . . 3.560 2.461 1.861 3.060 . 0 0 "[ . 1 . 2]" 1
606 1 59 VAL HA 1 59 VAL QG . . 3.290 2.275 2.134 2.558 . 0 0 "[ . 1 . 2]" 1
607 1 59 VAL HA 1 60 GLU H . . 2.890 2.191 2.036 2.330 . 0 0 "[ . 1 . 2]" 1
608 1 59 VAL HA 1 60 GLU HA . . 4.350 4.381 4.190 4.425 0.075 5 0 "[ . 1 . 2]" 1
609 1 59 VAL HB 1 60 GLU H . . 4.570 4.098 2.964 4.537 . 0 0 "[ . 1 . 2]" 1
610 1 59 VAL QG 1 60 GLU H . . 3.510 2.882 2.292 3.385 . 0 0 "[ . 1 . 2]" 1
611 1 59 VAL QG 1 60 GLU HA . . 5.370 4.197 3.976 4.481 . 0 0 "[ . 1 . 2]" 1
612 1 59 VAL QG 1 61 PHE H . . 5.500 4.254 3.204 4.928 . 0 0 "[ . 1 . 2]" 1
613 1 59 VAL QG 1 61 PHE HA . . 4.610 4.076 3.461 4.607 . 0 0 "[ . 1 . 2]" 1
614 1 59 VAL QG 1 61 PHE QD . . 4.790 3.267 2.328 4.466 . 0 0 "[ . 1 . 2]" 1
615 1 60 GLU H 1 61 PHE H . . 4.790 4.324 3.864 4.617 . 0 0 "[ . 1 . 2]" 1
616 1 60 GLU HA 1 61 PHE H . . 3.240 2.267 2.139 2.451 . 0 0 "[ . 1 . 2]" 1
617 1 60 GLU HG3 1 61 PHE H . . 4.830 4.568 2.763 5.559 0.729 5 5 "[ *+ 1 *.- *]" 1
618 1 61 PHE H 1 61 PHE HB3 . . 3.990 3.204 2.719 3.484 . 0 0 "[ . 1 . 2]" 1
619 1 61 PHE H 1 61 PHE QD . . 3.860 3.451 2.827 3.955 0.095 11 0 "[ . 1 . 2]" 1
620 1 61 PHE H 1 62 VAL H . . 5.120 4.589 4.444 4.683 . 0 0 "[ . 1 . 2]" 1
621 1 61 PHE H 1 67 VAL MG2 . . 4.810 4.640 3.636 4.929 0.119 17 0 "[ . 1 . 2]" 1
622 1 61 PHE HA 1 62 VAL H . . 3.560 2.377 2.214 2.615 . 0 0 "[ . 1 . 2]" 1
623 1 61 PHE HB3 1 62 VAL H . . 3.790 2.901 2.424 3.426 . 0 0 "[ . 1 . 2]" 1
624 1 61 PHE HB3 1 62 VAL QG . . 5.250 4.358 3.313 4.827 . 0 0 "[ . 1 . 2]" 1
625 1 61 PHE HB3 1 63 ASP H . . 3.720 2.408 1.813 2.816 . 0 0 "[ . 1 . 2]" 1
626 1 61 PHE HB3 1 66 SER HB3 . . 4.740 5.316 4.198 6.465 1.725 11 9 "[ .** *+***-* 2]" 1
627 1 61 PHE HB3 1 67 VAL MG2 . . 5.280 3.953 3.312 4.964 . 0 0 "[ . 1 . 2]" 1
628 1 61 PHE QD 1 62 VAL H . . 4.410 2.743 1.912 3.957 . 0 0 "[ . 1 . 2]" 1
629 1 61 PHE QD 1 63 ASP H . . 4.660 2.443 1.767 3.849 . 0 0 "[ . 1 . 2]" 1
630 1 61 PHE QD 1 66 SER HB3 . . 4.990 3.836 2.832 4.823 . 0 0 "[ . 1 . 2]" 1
631 1 62 VAL H 1 62 VAL HB . . 3.390 2.654 2.217 3.455 0.065 20 0 "[ . 1 . 2]" 1
632 1 62 VAL H 1 62 VAL QG . . 3.280 2.222 1.715 2.645 . 0 0 "[ . 1 . 2]" 1
633 1 62 VAL H 1 63 ASP H . . 3.540 2.459 2.152 2.726 . 0 0 "[ . 1 . 2]" 1
634 1 62 VAL H 1 63 ASP HA . . 5.500 5.138 4.908 5.274 . 0 0 "[ . 1 . 2]" 1
635 1 62 VAL H 1 63 ASP HB3 . . 5.500 5.178 4.400 6.027 0.527 7 1 "[ . + 1 . 2]" 1
636 1 62 VAL HA 1 62 VAL QG . . 3.130 2.134 2.044 2.189 . 0 0 "[ . 1 . 2]" 1
637 1 62 VAL HB 1 63 ASP H . . 3.630 3.352 2.874 3.729 0.099 11 0 "[ . 1 . 2]" 1
638 1 62 VAL QG 1 63 ASP H . . 4.170 3.281 2.058 3.767 . 0 0 "[ . 1 . 2]" 1
639 1 62 VAL QG 1 63 ASP HA . . 4.010 3.948 3.665 4.027 0.017 18 0 "[ . 1 . 2]" 1
640 1 62 VAL QG 1 63 ASP HB3 . . 4.670 4.521 3.361 5.086 0.416 9 0 "[ . 1 . 2]" 1
641 1 63 ASP H 1 63 ASP HB3 . . 3.450 3.030 2.378 3.566 0.116 12 0 "[ . 1 . 2]" 1
642 1 63 ASP H 1 66 SER H . . 5.500 4.667 4.294 5.177 . 0 0 "[ . 1 . 2]" 1
643 1 63 ASP HA 1 64 VAL H . . 2.760 2.297 2.024 2.641 . 0 0 "[ . 1 . 2]" 1
644 1 63 ASP HA 1 64 VAL HA . . 5.410 4.417 4.287 4.557 . 0 0 "[ . 1 . 2]" 1
645 1 63 ASP HA 1 64 VAL HB . . 5.480 4.533 4.152 5.198 . 0 0 "[ . 1 . 2]" 1
646 1 63 ASP HA 1 64 VAL QG . . 4.520 3.678 3.241 4.093 . 0 0 "[ . 1 . 2]" 1
647 1 63 ASP HA 1 65 SER H . . 4.360 4.063 3.718 4.348 . 0 0 "[ . 1 . 2]" 1
648 1 63 ASP HB3 1 64 VAL H . . 4.470 3.440 3.005 4.121 . 0 0 "[ . 1 . 2]" 1
649 1 63 ASP HB3 1 65 SER H . . 4.240 3.018 2.118 3.784 . 0 0 "[ . 1 . 2]" 1
650 1 63 ASP HB3 1 66 SER H . . 4.730 3.159 2.872 3.824 . 0 0 "[ . 1 . 2]" 1
651 1 64 VAL H 1 64 VAL HB . . 3.240 2.625 2.352 2.925 . 0 0 "[ . 1 . 2]" 1
652 1 64 VAL H 1 64 VAL QG . . 3.310 2.000 1.791 2.292 . 0 0 "[ . 1 . 2]" 1
653 1 64 VAL H 1 66 SER H . . 5.500 4.435 3.739 5.014 . 0 0 "[ . 1 . 2]" 1
654 1 64 VAL HA 1 64 VAL QG . . 3.280 2.296 2.100 2.460 . 0 0 "[ . 1 . 2]" 1
655 1 64 VAL HA 1 67 VAL H . . 4.910 3.679 3.340 4.145 . 0 0 "[ . 1 . 2]" 1
656 1 64 VAL HA 1 67 VAL MG2 . . 3.370 2.468 2.106 2.936 . 0 0 "[ . 1 . 2]" 1
657 1 64 VAL HB 1 65 SER H . . 4.790 4.051 2.720 4.510 . 0 0 "[ . 1 . 2]" 1
658 1 64 VAL QG 1 65 SER H . . 3.930 2.672 2.235 3.595 . 0 0 "[ . 1 . 2]" 1
659 1 64 VAL QG 1 65 SER HA . . 4.350 3.229 2.679 4.126 . 0 0 "[ . 1 . 2]" 1
660 1 64 VAL QG 1 67 VAL H . . 5.430 4.001 3.570 4.281 . 0 0 "[ . 1 . 2]" 1
661 1 65 SER H 1 66 SER H . . 3.560 2.783 2.477 3.081 . 0 0 "[ . 1 . 2]" 1
662 1 65 SER HA 1 67 VAL H . . 4.460 3.779 3.496 3.985 . 0 0 "[ . 1 . 2]" 1
663 1 66 SER H 1 66 SER HB3 . . 3.340 3.472 2.536 3.609 0.269 2 0 "[ . 1 . 2]" 1
664 1 66 SER H 1 67 VAL H . . 3.500 2.703 2.411 2.908 . 0 0 "[ . 1 . 2]" 1
665 1 66 SER H 1 67 VAL MG2 . . 4.710 3.906 3.607 4.263 . 0 0 "[ . 1 . 2]" 1
666 1 66 SER H 1 69 LEU H . . 5.500 5.141 4.810 5.364 . 0 0 "[ . 1 . 2]" 1
667 1 66 SER HA 1 67 VAL MG2 . . 5.500 5.102 4.989 5.241 . 0 0 "[ . 1 . 2]" 1
668 1 66 SER HA 1 69 LEU H . . 4.380 3.069 2.792 3.378 . 0 0 "[ . 1 . 2]" 1
669 1 66 SER HA 1 69 LEU HB3 . . 4.050 2.895 2.201 3.344 . 0 0 "[ . 1 . 2]" 1
670 1 66 SER HA 1 69 LEU QD . . 3.310 2.848 2.444 3.328 0.018 10 0 "[ . 1 . 2]" 1
671 1 66 SER HB3 1 67 VAL H . . 4.170 4.398 4.084 4.590 0.420 17 0 "[ . 1 . 2]" 1
672 1 66 SER HB3 1 67 VAL MG2 . . 5.000 5.223 4.653 5.554 0.554 14 1 "[ . 1 +. 2]" 1
673 1 66 SER HB3 1 70 ALA MB . . 5.500 4.909 4.158 5.583 0.083 19 0 "[ . 1 . 2]" 1
674 1 67 VAL H 1 67 VAL HB . . 3.200 2.399 2.242 2.482 . 0 0 "[ . 1 . 2]" 1
675 1 67 VAL H 1 67 VAL MG1 . . 3.980 3.751 3.684 3.801 . 0 0 "[ . 1 . 2]" 1
676 1 67 VAL H 1 67 VAL MG2 . . 3.070 2.281 2.135 2.494 . 0 0 "[ . 1 . 2]" 1
677 1 67 VAL H 1 68 PRO HD3 . . 3.480 3.528 3.499 3.551 0.071 13 0 "[ . 1 . 2]" 1
678 1 67 VAL H 1 69 LEU H . . 5.280 3.833 3.486 4.017 . 0 0 "[ . 1 . 2]" 1
679 1 67 VAL H 1 69 LEU HB3 . . 5.500 5.306 4.830 5.876 0.376 19 0 "[ . 1 . 2]" 1
680 1 67 VAL HA 1 67 VAL MG1 . . 3.300 2.507 2.390 2.648 . 0 0 "[ . 1 . 2]" 1
681 1 67 VAL HA 1 67 VAL MG2 . . 3.020 2.327 2.180 2.415 . 0 0 "[ . 1 . 2]" 1
682 1 67 VAL HA 1 69 LEU H . . 5.500 3.987 3.831 4.176 . 0 0 "[ . 1 . 2]" 1
683 1 67 VAL HA 1 70 ALA H . . 4.330 3.722 3.403 4.082 . 0 0 "[ . 1 . 2]" 1
684 1 67 VAL HA 1 70 ALA MB . . 3.950 3.383 2.894 3.970 0.020 18 0 "[ . 1 . 2]" 1
685 1 67 VAL HB 1 68 PRO HD3 . . 3.410 2.267 2.135 2.421 . 0 0 "[ . 1 . 2]" 1
686 1 67 VAL MG1 1 68 PRO HD3 . . 4.020 2.761 2.277 2.891 . 0 0 "[ . 1 . 2]" 1
687 1 67 VAL MG1 1 87 ALA HA . . 4.810 4.119 3.578 4.870 0.060 2 0 "[ . 1 . 2]" 1
688 1 67 VAL MG1 1 87 ALA MB . . 3.930 2.473 2.087 3.776 . 0 0 "[ . 1 . 2]" 1
689 1 68 PRO HA 1 71 ILE MD . . 3.400 2.156 2.041 2.521 . 0 0 "[ . 1 . 2]" 1
690 1 68 PRO HB3 1 69 LEU H . . 3.890 4.510 4.328 4.587 0.697 15 18 "[***-*** ******+****2]" 1
691 1 68 PRO HB3 1 71 ILE MD . . 4.200 3.147 2.719 3.628 . 0 0 "[ . 1 . 2]" 1
692 1 68 PRO HB3 1 72 GLY H . . 5.500 6.121 5.542 6.629 1.129 4 11 "[-* +.** 1* **** *]" 1
693 1 68 PRO HD3 1 69 LEU H . . 4.170 4.156 3.951 4.235 0.065 10 0 "[ . 1 . 2]" 1
694 1 69 LEU H 1 69 LEU HB3 . . 3.860 2.795 2.519 3.159 . 0 0 "[ . 1 . 2]" 1
695 1 69 LEU H 1 69 LEU QD . . 4.080 3.749 3.680 3.793 . 0 0 "[ . 1 . 2]" 1
696 1 69 LEU H 1 70 ALA H . . 3.300 2.631 2.507 2.819 . 0 0 "[ . 1 . 2]" 1
697 1 69 LEU H 1 70 ALA MB . . 5.100 4.255 4.090 4.416 . 0 0 "[ . 1 . 2]" 1
698 1 69 LEU H 1 71 ILE H . . 5.080 3.994 3.871 4.387 . 0 0 "[ . 1 . 2]" 1
699 1 69 LEU HA 1 69 LEU QD . . 2.790 2.421 2.044 2.779 . 0 0 "[ . 1 . 2]" 1
700 1 69 LEU HA 1 69 LEU HG . . 3.180 2.615 2.176 3.252 0.072 5 0 "[ . 1 . 2]" 1
701 1 69 LEU HA 1 72 GLY H . . 4.130 3.470 3.065 3.708 . 0 0 "[ . 1 . 2]" 1
702 1 69 LEU HB3 1 70 ALA H . . 4.680 2.486 2.109 2.860 . 0 0 "[ . 1 . 2]" 1
703 1 69 LEU QD 1 70 ALA H . . 5.500 3.647 3.253 4.165 . 0 0 "[ . 1 . 2]" 1
704 1 69 LEU QD 1 72 GLY H . . 4.790 4.121 3.948 4.346 . 0 0 "[ . 1 . 2]" 1
705 1 69 LEU QD 1 72 GLY QA . . 5.460 3.831 3.213 4.005 . 0 0 "[ . 1 . 2]" 1
706 1 69 LEU QD 1 73 LEU H . . 4.640 4.494 3.934 4.665 0.025 13 0 "[ . 1 . 2]" 1
707 1 69 LEU QD 1 73 LEU QD . . 3.220 2.378 2.019 2.749 . 0 0 "[ . 1 . 2]" 1
708 1 69 LEU QD 1 73 LEU HG . . 4.920 2.999 2.492 4.124 . 0 0 "[ . 1 . 2]" 1
709 1 69 LEU HG 1 70 ALA H . . 5.300 4.649 3.373 5.157 . 0 0 "[ . 1 . 2]" 1
710 1 70 ALA H 1 70 ALA MB . . 2.970 2.219 2.110 2.258 . 0 0 "[ . 1 . 2]" 1
711 1 70 ALA H 1 72 GLY H . . 4.800 4.305 4.089 4.563 . 0 0 "[ . 1 . 2]" 1
712 1 70 ALA H 1 73 LEU QD . . 5.500 4.397 3.871 5.052 . 0 0 "[ . 1 . 2]" 1
713 1 70 ALA HA 1 73 LEU H . . 4.110 3.459 3.202 3.812 . 0 0 "[ . 1 . 2]" 1
714 1 70 ALA HA 1 73 LEU QD . . 3.220 2.565 1.992 3.224 0.004 4 0 "[ . 1 . 2]" 1
715 1 70 ALA HA 1 73 LEU HG . . 3.520 2.912 2.211 3.590 0.070 12 0 "[ . 1 . 2]" 1
716 1 70 ALA MB 1 71 ILE H . . 3.960 2.704 2.562 2.931 . 0 0 "[ . 1 . 2]" 1
717 1 70 ALA MB 1 73 LEU QD . . 4.790 3.594 2.820 4.116 . 0 0 "[ . 1 . 2]" 1
718 1 71 ILE H 1 71 ILE HB . . 2.990 2.380 2.221 2.597 . 0 0 "[ . 1 . 2]" 1
719 1 71 ILE H 1 71 ILE MD . . 3.620 3.548 3.254 3.685 0.065 16 0 "[ . 1 . 2]" 1
720 1 71 ILE H 1 71 ILE MG . . 3.810 3.751 3.695 3.811 0.001 12 0 "[ . 1 . 2]" 1
721 1 71 ILE H 1 72 GLY H . . 3.630 2.719 2.630 2.771 . 0 0 "[ . 1 . 2]" 1
722 1 71 ILE H 1 72 GLY QA . . 5.290 4.564 4.450 4.602 . 0 0 "[ . 1 . 2]" 1
723 1 71 ILE HA 1 72 GLY QA . . 4.810 4.507 4.478 4.529 . 0 0 "[ . 1 . 2]" 1
724 1 71 ILE HB 1 71 ILE MD . . 3.200 2.414 2.279 2.570 . 0 0 "[ . 1 . 2]" 1
725 1 71 ILE HB 1 72 GLY H . . 3.640 2.768 2.560 3.131 . 0 0 "[ . 1 . 2]" 1
726 1 71 ILE HB 1 72 GLY QA . . 5.450 4.139 4.002 4.266 . 0 0 "[ . 1 . 2]" 1
727 1 71 ILE MD 1 71 ILE MG . . 2.990 2.103 2.065 2.187 . 0 0 "[ . 1 . 2]" 1
728 1 71 ILE MD 1 85 VAL QG . . 4.880 3.626 2.195 4.527 . 0 0 "[ . 1 . 2]" 1
729 1 71 ILE HG13 1 71 ILE MG . . 2.650 3.249 3.183 3.290 0.640 10 20 [*-*******+**********] 1
730 1 71 ILE HG13 1 85 VAL HA . . 4.850 4.159 2.788 4.369 . 0 0 "[ . 1 . 2]" 1
731 1 71 ILE MG 1 72 GLY H . . 4.890 3.382 3.056 3.785 . 0 0 "[ . 1 . 2]" 1
732 1 71 ILE MG 1 85 VAL HA . . 3.270 2.885 2.254 3.362 0.092 12 0 "[ . 1 . 2]" 1
733 1 71 ILE MG 1 85 VAL HB . . 4.130 2.820 2.053 4.205 0.075 6 0 "[ . 1 . 2]" 1
734 1 72 GLY H 1 73 LEU HG . . 5.500 4.188 3.782 5.573 0.073 14 0 "[ . 1 . 2]" 1
735 1 73 LEU H 1 73 LEU HB3 . . 3.880 3.690 3.447 3.815 . 0 0 "[ . 1 . 2]" 1
736 1 73 LEU H 1 73 LEU QD . . 4.400 3.158 2.000 3.536 . 0 0 "[ . 1 . 2]" 1
737 1 73 LEU H 1 73 LEU HG . . 3.540 2.692 2.176 3.623 0.083 14 0 "[ . 1 . 2]" 1
738 1 73 LEU H 1 74 THR MG . . 5.500 4.351 4.009 5.602 0.102 20 0 "[ . 1 . 2]" 1
739 1 73 LEU HA 1 73 LEU QD . . 2.820 2.187 2.067 2.316 . 0 0 "[ . 1 . 2]" 1
740 1 73 LEU HA 1 75 GLY H . . 4.080 3.476 2.977 3.850 . 0 0 "[ . 1 . 2]" 1
741 1 73 LEU HA 1 76 GLN HE21 . . 4.280 3.708 3.121 4.349 0.069 4 0 "[ . 1 . 2]" 1
742 1 73 LEU HA 1 76 GLN HE22 . . 4.780 4.800 4.403 4.860 0.080 16 0 "[ . 1 . 2]" 1
743 1 73 LEU HB3 1 73 LEU QD . . 3.260 2.165 2.099 2.307 . 0 0 "[ . 1 . 2]" 1
744 1 73 LEU HB3 1 74 THR H . . 4.870 4.432 4.012 4.552 . 0 0 "[ . 1 . 2]" 1
745 1 73 LEU HB3 1 76 GLN HB3 . . 4.230 4.537 3.885 5.100 0.870 15 6 "[* .* -1 * + *]" 1
746 1 73 LEU HB3 1 76 GLN HG3 . . 4.860 3.028 2.178 3.435 . 0 0 "[ . 1 . 2]" 1
747 1 73 LEU QD 1 76 GLN HB3 . . 5.130 4.399 3.681 4.779 . 0 0 "[ . 1 . 2]" 1
748 1 73 LEU QD 1 76 GLN HE21 . . 3.570 2.326 1.694 3.145 . 0 0 "[ . 1 . 2]" 1
749 1 73 LEU QD 1 76 GLN HE22 . . 3.630 2.568 2.292 2.909 . 0 0 "[ . 1 . 2]" 1
750 1 73 LEU QD 1 76 GLN HG3 . . 4.150 2.983 2.683 3.254 . 0 0 "[ . 1 . 2]" 1
751 1 73 LEU HG 1 74 THR H . . 5.360 4.867 4.737 5.438 0.078 14 0 "[ . 1 . 2]" 1
752 1 74 THR H 1 74 THR HB . . 3.030 2.379 2.242 2.508 . 0 0 "[ . 1 . 2]" 1
753 1 74 THR H 1 74 THR MG . . 3.770 2.371 2.133 3.680 . 0 0 "[ . 1 . 2]" 1
754 1 74 THR H 1 75 GLY H . . 4.660 2.992 2.805 3.311 . 0 0 "[ . 1 . 2]" 1
755 1 74 THR H 1 75 GLY HA3 . . 5.500 5.279 5.087 5.567 0.067 14 0 "[ . 1 . 2]" 1
756 1 74 THR H 1 76 GLN H . . 4.750 4.543 4.225 4.784 0.034 19 0 "[ . 1 . 2]" 1
757 1 74 THR H 1 83 ILE MG . . 4.980 3.424 2.934 3.703 . 0 0 "[ . 1 . 2]" 1
758 1 74 THR H 1 85 VAL QG . . 5.210 3.623 3.353 3.755 . 0 0 "[ . 1 . 2]" 1
759 1 74 THR HA 1 74 THR MG . . 3.270 3.202 2.533 3.262 . 0 0 "[ . 1 . 2]" 1
760 1 74 THR HA 1 75 GLY HA2 . . 5.360 4.686 4.539 4.787 . 0 0 "[ . 1 . 2]" 1
761 1 74 THR HA 1 75 GLY HA3 . . 5.230 5.284 5.239 5.307 0.077 4 0 "[ . 1 . 2]" 1
762 1 74 THR HA 1 76 GLN H . . 4.070 4.021 3.617 4.135 0.065 4 0 "[ . 1 . 2]" 1
763 1 74 THR HA 1 83 ILE H . . 4.290 3.176 2.599 3.551 . 0 0 "[ . 1 . 2]" 1
764 1 74 THR HA 1 83 ILE MG . . 3.590 2.009 1.894 2.226 . 0 0 "[ . 1 . 2]" 1
765 1 74 THR HA 1 84 ILE HA . . 4.350 4.170 3.555 4.421 0.071 20 0 "[ . 1 . 2]" 1
766 1 74 THR HA 1 85 VAL QG . . 3.870 3.923 3.893 3.950 0.080 4 0 "[ . 1 . 2]" 1
767 1 74 THR HB 1 85 VAL H . . 4.260 3.432 3.131 4.248 . 0 0 "[ . 1 . 2]" 1
768 1 74 THR HB 1 85 VAL HA . . 4.760 3.329 2.868 4.153 . 0 0 "[ . 1 . 2]" 1
769 1 74 THR HB 1 85 VAL HB . . 4.280 4.362 4.329 4.383 0.103 20 0 "[ . 1 . 2]" 1
770 1 74 THR HB 1 85 VAL QG . . 3.950 2.015 1.959 2.081 . 0 0 "[ . 1 . 2]" 1
771 1 74 THR MG 1 75 GLY H . . 3.420 2.662 2.215 3.493 0.073 20 0 "[ . 1 . 2]" 1
772 1 74 THR MG 1 75 GLY HA2 . . 4.490 3.639 3.329 3.846 . 0 0 "[ . 1 . 2]" 1
773 1 74 THR MG 1 75 GLY HA3 . . 5.320 3.507 3.266 4.224 . 0 0 "[ . 1 . 2]" 1
774 1 74 THR MG 1 76 GLN H . . 5.500 4.586 4.446 4.864 . 0 0 "[ . 1 . 2]" 1
775 1 74 THR MG 1 85 VAL H . . 3.960 3.964 3.169 4.056 0.096 9 0 "[ . 1 . 2]" 1
776 1 74 THR MG 1 85 VAL HA . . 5.010 4.388 4.081 4.628 . 0 0 "[ . 1 . 2]" 1
777 1 75 GLY H 1 76 GLN H . . 3.600 2.545 2.225 2.952 . 0 0 "[ . 1 . 2]" 1
778 1 75 GLY H 1 76 GLN HB3 . . 5.500 5.935 5.242 6.295 0.795 20 6 "[ - *.* **1 . +]" 1
779 1 75 GLY H 1 83 ILE H . . 5.500 5.339 5.018 5.572 0.072 14 0 "[ . 1 . 2]" 1
780 1 75 GLY H 1 83 ILE MG . . 4.210 4.290 4.127 4.319 0.109 4 0 "[ . 1 . 2]" 1
781 1 75 GLY H 1 85 VAL QG . . 5.390 5.103 4.814 5.390 . 0 0 "[ . 1 . 2]" 1
782 1 75 GLY HA2 1 83 ILE H . . 5.500 5.031 4.541 5.593 0.093 20 0 "[ . 1 . 2]" 1
783 1 75 GLY HA2 1 83 ILE MG . . 5.500 5.250 4.960 5.550 0.050 16 0 "[ . 1 . 2]" 1
784 1 76 GLN H 1 76 GLN HB3 . . 3.180 3.671 3.524 3.871 0.691 20 8 "[ * *- *1 * .* *+]" 1
785 1 76 GLN H 1 76 GLN HG3 . . 3.630 2.773 2.375 3.264 . 0 0 "[ . 1 . 2]" 1
786 1 76 GLN H 1 77 ARG H . . 4.500 4.484 4.115 4.567 0.067 14 0 "[ . 1 . 2]" 1
787 1 76 GLN H 1 83 ILE MG . . 4.150 3.696 3.460 3.978 . 0 0 "[ . 1 . 2]" 1
788 1 76 GLN HA 1 76 GLN HB3 . . 2.950 2.408 2.171 2.512 . 0 0 "[ . 1 . 2]" 1
789 1 76 GLN HA 1 76 GLN HG3 . . 3.270 3.449 3.193 3.993 0.723 15 1 "[ . 1 + 2]" 1
790 1 76 GLN HA 1 77 ARG H . . 2.860 2.528 2.331 2.718 . 0 0 "[ . 1 . 2]" 1
791 1 76 GLN HA 1 77 ARG HG3 . . 4.420 4.386 4.056 4.498 0.078 16 0 "[ . 1 . 2]" 1
792 1 76 GLN HB3 1 76 GLN HE22 . . 5.500 4.284 3.578 4.682 . 0 0 "[ . 1 . 2]" 1
793 1 76 GLN HB3 1 76 GLN HG3 . . 2.940 3.018 2.964 3.051 0.111 10 0 "[ . 1 . 2]" 1
794 1 76 GLN HB3 1 77 ARG H . . 3.470 2.359 2.116 3.054 . 0 0 "[ . 1 . 2]" 1
795 1 76 GLN HB3 1 83 ILE MG . . 4.610 5.411 4.679 5.933 1.323 2 18 "[*+ *******-** ******]" 1
796 1 76 GLN HG3 1 77 ARG H . . 4.390 4.928 3.980 5.132 0.742 1 16 "[+* ** ****-* *.*****]" 1
797 1 77 ARG H 1 77 ARG HG3 . . 4.070 2.778 2.410 3.077 . 0 0 "[ . 1 . 2]" 1
798 1 77 ARG H 1 78 VAL H . . 4.800 3.747 3.038 4.172 . 0 0 "[ . 1 . 2]" 1
799 1 77 ARG H 1 78 VAL QG . . 5.500 4.271 3.701 5.147 . 0 0 "[ . 1 . 2]" 1
800 1 77 ARG H 1 80 GLY H . . 5.500 5.200 4.830 5.556 0.056 4 0 "[ . 1 . 2]" 1
801 1 77 ARG HA 1 77 ARG HG3 . . 3.810 3.758 3.651 3.867 0.057 16 0 "[ . 1 . 2]" 1
802 1 77 ARG HA 1 78 VAL H . . 2.990 2.214 2.083 2.335 . 0 0 "[ . 1 . 2]" 1
803 1 77 ARG HA 1 82 PRO HA . . 3.190 2.211 1.964 2.539 . 0 0 "[ . 1 . 2]" 1
804 1 77 ARG HB3 1 78 VAL H . . 3.960 4.310 3.939 4.561 0.601 11 9 "[* * . *-1+* *. * *2]" 1
805 1 77 ARG HB3 1 80 GLY H . . 4.200 4.428 4.020 4.846 0.646 4 3 "[- +. *1 . 2]" 1
806 1 77 ARG HB3 1 80 GLY QA . . 3.880 3.991 3.714 4.266 0.386 1 0 "[ . 1 . 2]" 1
807 1 77 ARG HG3 1 78 VAL H . . 5.440 4.776 4.593 4.874 . 0 0 "[ . 1 . 2]" 1
808 1 77 ARG HG3 1 78 VAL HA . . 4.840 4.879 4.731 4.922 0.082 6 0 "[ . 1 . 2]" 1
809 1 78 VAL H 1 78 VAL HB . . 3.800 2.867 2.347 3.788 . 0 0 "[ . 1 . 2]" 1
810 1 78 VAL H 1 78 VAL QG . . 3.830 2.105 1.825 2.430 . 0 0 "[ . 1 . 2]" 1
811 1 78 VAL H 1 79 LEU H . . 5.000 4.308 4.034 4.515 . 0 0 "[ . 1 . 2]" 1
812 1 78 VAL H 1 81 VAL H . . 3.580 3.230 2.741 3.535 . 0 0 "[ . 1 . 2]" 1
813 1 78 VAL H 1 81 VAL HA . . 5.190 4.902 4.164 5.265 0.075 9 0 "[ . 1 . 2]" 1
814 1 78 VAL H 1 81 VAL HB . . 4.830 3.574 2.998 4.908 0.078 11 0 "[ . 1 . 2]" 1
815 1 78 VAL H 1 82 PRO HA . . 3.990 3.706 3.145 4.079 0.089 4 0 "[ . 1 . 2]" 1
816 1 78 VAL HA 1 78 VAL QG . . 3.230 2.208 2.109 2.491 . 0 0 "[ . 1 . 2]" 1
817 1 78 VAL HA 1 79 LEU H . . 2.720 2.147 1.997 2.235 . 0 0 "[ . 1 . 2]" 1
818 1 78 VAL HA 1 79 LEU QD . . 4.150 3.962 3.430 4.251 0.101 3 0 "[ . 1 . 2]" 1
819 1 78 VAL HA 1 80 GLY H . . 4.300 3.884 3.572 4.254 . 0 0 "[ . 1 . 2]" 1
820 1 78 VAL HB 1 79 LEU H . . 5.500 4.194 3.343 4.632 . 0 0 "[ . 1 . 2]" 1
821 1 78 VAL HB 1 81 VAL QG . . 4.960 4.033 2.203 5.061 0.101 5 0 "[ . 1 . 2]" 1
822 1 78 VAL QG 1 79 LEU H . . 4.130 3.317 2.964 3.661 . 0 0 "[ . 1 . 2]" 1
823 1 78 VAL QG 1 79 LEU HB3 . . 5.500 4.652 4.107 5.266 . 0 0 "[ . 1 . 2]" 1
824 1 78 VAL QG 1 79 LEU HG . . 3.940 2.770 2.145 3.755 . 0 0 "[ . 1 . 2]" 1
825 1 78 VAL QG 1 80 GLY H . . 5.500 4.314 3.830 4.676 . 0 0 "[ . 1 . 2]" 1
826 1 79 LEU H 1 79 LEU HA . . 2.830 2.286 2.252 2.340 . 0 0 "[ . 1 . 2]" 1
827 1 79 LEU H 1 79 LEU QD . . 3.580 2.665 2.371 2.951 . 0 0 "[ . 1 . 2]" 1
828 1 79 LEU H 1 79 LEU MD2 . . 3.850 2.695 2.382 3.015 . 0 0 "[ . 1 . 2]" 1
829 1 79 LEU H 1 79 LEU HG . . 4.000 2.860 2.618 3.251 . 0 0 "[ . 1 . 2]" 1
830 1 79 LEU H 1 80 GLY H . . 3.560 2.856 2.663 3.166 . 0 0 "[ . 1 . 2]" 1
831 1 79 LEU HA 1 79 LEU QD . . 2.920 2.248 2.156 2.433 . 0 0 "[ . 1 . 2]" 1
832 1 79 LEU HA 1 79 LEU HG . . 3.840 3.274 3.081 3.540 . 0 0 "[ . 1 . 2]" 1
833 1 79 LEU HA 1 80 GLY H . . 3.330 2.981 2.676 3.321 . 0 0 "[ . 1 . 2]" 1
834 1 79 LEU HA 1 80 GLY QA . . 4.400 4.083 3.991 4.140 . 0 0 "[ . 1 . 2]" 1
835 1 80 GLY H 1 81 VAL H . . 3.750 2.301 1.700 2.704 . 0 0 "[ . 1 . 2]" 1
836 1 80 GLY QA 1 81 VAL QG . . 5.190 3.590 3.260 4.211 . 0 0 "[ . 1 . 2]" 1
837 1 81 VAL H 1 81 VAL HB . . 3.330 2.552 2.366 2.803 . 0 0 "[ . 1 . 2]" 1
838 1 81 VAL H 1 81 VAL QG . . 3.380 2.507 2.252 2.743 . 0 0 "[ . 1 . 2]" 1
839 1 81 VAL HA 1 81 VAL QG . . 2.820 2.085 2.015 2.171 . 0 0 "[ . 1 . 2]" 1
840 1 81 VAL HA 1 82 PRO HD3 . . 3.060 2.957 2.765 3.060 . 0 0 "[ . 1 . 2]" 1
841 1 82 PRO HA 1 83 ILE H . . 2.890 2.587 2.366 2.778 . 0 0 "[ . 1 . 2]" 1
842 1 82 PRO HA 1 83 ILE MG . . 3.960 3.643 3.239 3.929 . 0 0 "[ . 1 . 2]" 1
843 1 82 PRO HB3 1 83 ILE H . . 3.960 3.467 3.267 3.613 . 0 0 "[ . 1 . 2]" 1
844 1 82 PRO HB3 1 83 ILE HA . . 4.290 5.688 5.629 5.734 1.444 5 20 [****+***-***********] 1
845 1 83 ILE H 1 83 ILE HB . . 3.480 3.228 2.982 3.408 . 0 0 "[ . 1 . 2]" 1
846 1 83 ILE H 1 83 ILE MD . . 4.900 4.801 4.653 4.888 . 0 0 "[ . 1 . 2]" 1
847 1 83 ILE H 1 83 ILE HG13 . . 5.420 4.666 4.599 4.752 . 0 0 "[ . 1 . 2]" 1
848 1 83 ILE H 1 83 ILE MG . . 3.060 2.241 2.066 2.386 . 0 0 "[ . 1 . 2]" 1
849 1 83 ILE H 1 84 ILE H . . 4.660 4.427 4.349 4.549 . 0 0 "[ . 1 . 2]" 1
850 1 83 ILE HA 1 83 ILE MD . . 4.220 3.665 3.477 3.808 . 0 0 "[ . 1 . 2]" 1
851 1 83 ILE HA 1 83 ILE HG13 . . 3.310 2.380 2.262 2.480 . 0 0 "[ . 1 . 2]" 1
852 1 83 ILE HA 1 84 ILE H . . 3.020 2.422 2.228 2.625 . 0 0 "[ . 1 . 2]" 1
853 1 83 ILE HB 1 83 ILE MD . . 3.480 2.343 2.250 2.445 . 0 0 "[ . 1 . 2]" 1
854 1 83 ILE HB 1 84 ILE H . . 4.400 3.884 3.640 4.164 . 0 0 "[ . 1 . 2]" 1
855 1 83 ILE MD 1 83 ILE MG . . 3.160 2.186 2.090 2.359 . 0 0 "[ . 1 . 2]" 1
856 1 83 ILE MD 1 84 ILE H . . 4.120 3.688 3.346 4.170 0.050 1 0 "[ . 1 . 2]" 1
857 1 83 ILE HG13 1 84 ILE H . . 3.410 2.196 1.751 2.798 . 0 0 "[ . 1 . 2]" 1
858 1 83 ILE MG 1 84 ILE H . . 4.280 3.622 3.077 4.116 . 0 0 "[ . 1 . 2]" 1
859 1 84 ILE H 1 84 ILE HB . . 3.590 2.538 2.348 2.720 . 0 0 "[ . 1 . 2]" 1
860 1 84 ILE H 1 84 ILE HG13 . . 5.350 3.987 2.687 4.363 . 0 0 "[ . 1 . 2]" 1
861 1 84 ILE HA 1 84 ILE MD . . 4.080 2.290 2.110 3.607 . 0 0 "[ . 1 . 2]" 1
862 1 84 ILE HA 1 84 ILE HG13 . . 3.710 3.797 3.461 3.881 0.171 15 0 "[ . 1 . 2]" 1
863 1 84 ILE HA 1 84 ILE MG . . 3.260 2.463 2.368 2.664 . 0 0 "[ . 1 . 2]" 1
864 1 84 ILE HA 1 85 VAL H . . 2.930 2.217 2.059 2.431 . 0 0 "[ . 1 . 2]" 1
865 1 84 ILE MD 1 84 ILE MG . . 2.400 2.109 2.006 2.175 . 0 0 "[ . 1 . 2]" 1
866 1 84 ILE MG 1 85 VAL H . . 3.830 2.515 2.148 3.001 . 0 0 "[ . 1 . 2]" 1
867 1 84 ILE MG 1 86 GLN HB3 . . 5.500 4.024 3.621 4.438 . 0 0 "[ . 1 . 2]" 1
868 1 84 ILE MG 1 86 GLN HE21 . . 5.500 4.852 3.970 5.329 . 0 0 "[ . 1 . 2]" 1
869 1 84 ILE MG 1 86 GLN HG3 . . 4.180 2.616 2.071 3.360 . 0 0 "[ . 1 . 2]" 1
870 1 85 VAL H 1 85 VAL HB . . 3.720 3.023 2.033 3.564 . 0 0 "[ . 1 . 2]" 1
871 1 85 VAL H 1 85 VAL QG . . 3.450 1.892 1.755 2.095 . 0 0 "[ . 1 . 2]" 1
872 1 85 VAL H 1 86 GLN H . . 5.140 3.001 2.732 3.142 . 0 0 "[ . 1 . 2]" 1
873 1 85 VAL QG 1 86 GLN H . . 3.540 3.182 2.730 3.439 . 0 0 "[ . 1 . 2]" 1
874 1 85 VAL QG 1 86 GLN HA . . 3.490 3.286 2.685 3.551 0.061 4 0 "[ . 1 . 2]" 1
875 1 86 GLN H 1 86 GLN HB3 . . 4.100 3.542 3.326 3.713 . 0 0 "[ . 1 . 2]" 1
876 1 86 GLN H 1 86 GLN HG3 . . 4.300 3.450 2.534 3.951 . 0 0 "[ . 1 . 2]" 1
877 1 86 GLN H 1 87 ALA H . . 4.500 3.097 2.664 3.383 . 0 0 "[ . 1 . 2]" 1
878 1 86 GLN H 1 87 ALA MB . . 5.500 4.744 4.289 5.107 . 0 0 "[ . 1 . 2]" 1
879 1 86 GLN HA 1 86 GLN HE21 . . 5.500 3.782 2.184 4.898 . 0 0 "[ . 1 . 2]" 1
880 1 86 GLN HA 1 86 GLN HG3 . . 3.510 3.384 2.579 3.644 0.134 14 0 "[ . 1 . 2]" 1
881 1 86 GLN HA 1 87 ALA MB . . 4.090 4.152 3.878 4.205 0.115 16 0 "[ . 1 . 2]" 1
882 1 86 GLN HB3 1 87 ALA H . . 3.670 3.205 2.803 3.457 . 0 0 "[ . 1 . 2]" 1
883 1 86 GLN HB3 1 87 ALA HA . . 5.500 4.683 4.276 4.980 . 0 0 "[ . 1 . 2]" 1
884 1 86 GLN HE21 1 87 ALA H . . 5.500 5.366 4.793 5.580 0.080 20 0 "[ . 1 . 2]" 1
885 1 86 GLN HE21 1 88 SER HA . . 5.500 5.223 3.858 5.586 0.086 16 0 "[ . 1 . 2]" 1
886 1 87 ALA H 1 87 ALA MB . . 2.830 2.796 2.529 2.915 0.085 17 0 "[ . 1 . 2]" 1
887 1 87 ALA H 1 88 SER H . . 4.270 3.766 2.757 4.367 0.097 11 0 "[ . 1 . 2]" 1
888 1 87 ALA HA 1 88 SER H . . 2.810 2.562 2.296 2.876 0.066 15 0 "[ . 1 . 2]" 1
889 1 87 ALA MB 1 88 SER H . . 3.810 2.890 1.851 3.799 . 0 0 "[ . 1 . 2]" 1
890 1 88 SER HA 1 88 SER HB3 . . 3.010 2.887 2.099 3.049 0.039 7 0 "[ . 1 . 2]" 1
891 1 88 SER HA 1 89 GLN H . . 2.840 2.554 2.171 2.928 0.088 6 0 "[ . 1 . 2]" 1
892 1 89 GLN H 1 89 GLN HB3 . . 3.640 3.615 2.510 3.740 0.100 8 0 "[ . 1 . 2]" 1
893 1 89 GLN HA 1 89 GLN HE21 . . 5.380 4.367 2.227 5.452 0.072 2 0 "[ . 1 . 2]" 1
894 1 89 GLN HA 1 90 ALA H . . 2.920 2.445 2.055 2.904 . 0 0 "[ . 1 . 2]" 1
895 1 89 GLN HB3 1 90 ALA H . . 4.170 3.102 1.894 4.259 0.089 15 0 "[ . 1 . 2]" 1
896 1 89 GLN HB3 1 90 ALA HA . . 4.710 4.793 4.073 5.958 1.248 2 3 "[ + . *1 . -2]" 1
897 1 90 ALA H 1 90 ALA MB . . 3.000 2.646 2.214 3.038 0.038 3 0 "[ . 1 . 2]" 1
898 1 90 ALA HA 1 91 GLU H . . 2.900 2.491 2.135 2.981 0.081 10 0 "[ . 1 . 2]" 1
899 1 90 ALA MB 1 91 GLU H . . 4.030 2.626 1.890 3.769 . 0 0 "[ . 1 . 2]" 1
900 1 91 GLU H 1 92 LYS H . . 3.340 3.040 2.300 3.432 0.092 4 0 "[ . 1 . 2]" 1
901 1 91 GLU HA 1 92 LYS H . . 3.010 2.801 2.373 3.092 0.082 6 0 "[ . 1 . 2]" 1
902 1 92 LYS HA 1 92 LYS HB3 . . 2.900 2.426 2.258 2.582 . 0 0 "[ . 1 . 2]" 1
903 1 92 LYS HA 1 93 ASN H . . 3.370 2.720 2.187 3.456 0.086 18 0 "[ . 1 . 2]" 1
904 1 92 LYS HB3 1 93 ASN H . . 4.220 2.885 1.836 4.294 0.074 16 0 "[ . 1 . 2]" 1
905 1 92 LYS HB3 1 93 ASN HA . . 4.620 4.311 3.804 4.680 0.060 16 0 "[ . 1 . 2]" 1
906 1 93 ASN H 1 94 ARG H . . 4.020 3.296 1.680 4.101 0.081 6 0 "[ . 1 . 2]" 1
907 1 93 ASN HA 1 94 ARG H . . 3.230 2.490 2.081 3.309 0.079 8 0 "[ . 1 . 2]" 1
908 1 93 ASN HB3 1 94 ARG H . . 4.960 4.294 3.541 4.726 . 0 0 "[ . 1 . 2]" 1
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