NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635779 |
6g5r   |
34255 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6g5r
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 1401
_Distance_constraint_stats_list.Viol_count 8212
_Distance_constraint_stats_list.Viol_total 24376.896
_Distance_constraint_stats_list.Viol_max 1.773
_Distance_constraint_stats_list.Viol_rms 0.0986
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0435
_Distance_constraint_stats_list.Viol_average_violations_only 0.1484
_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 24 MET 17.165 0.857 8 1 "[ . + 1 . 2]"
1 25 VAL 17.769 0.857 8 3 "[ . + 1 *. * 2]"
1 27 LEU 13.171 1.445 18 2 "[ .* 1 . + 2]"
1 28 GLU 31.544 1.773 19 13 "[ * **- *** **** *+2]"
1 31 MET 43.585 1.773 19 5 "[ - * * * +2]"
1 32 THR 29.758 0.762 14 1 "[ . 1 +. 2]"
1 33 ILE 81.916 0.556 16 3 "[* . 1 -+ 2]"
1 34 SER 23.219 0.798 14 5 "[ . *- **+. 2]"
1 35 LYS 4.540 0.239 2 0 "[ . 1 . 2]"
1 36 ASN 23.284 1.033 1 10 "[+ .** **** -. ** 2]"
1 37 GLU 53.466 0.851 10 9 "[ .** *+** -. ** 2]"
1 38 MET 18.851 0.712 10 4 "[** . -+ . 2]"
1 39 VAL 35.354 0.422 4 0 "[ . 1 . 2]"
1 40 LYS 57.918 1.191 1 2 "[+ . 1 . *2]"
1 41 LEU 64.599 1.191 1 7 "[+ . *- ***. *2]"
1 42 LEU 50.575 0.766 14 14 "[*- ** **** +**** *]"
1 43 GLU 29.652 0.387 1 0 "[ . 1 . 2]"
1 44 ALA 41.305 0.416 9 0 "[ . 1 . 2]"
1 45 THR 35.715 0.352 3 0 "[ . 1 . 2]"
1 46 GLN 13.775 0.263 11 0 "[ . 1 . 2]"
1 47 TYR 57.113 0.647 7 4 "[ - + 1 * * 2]"
1 48 ARG 45.631 0.647 7 3 "[ . + 1 * - 2]"
1 49 GLN 32.320 0.601 8 1 "[ . + 1 . 2]"
1 50 VAL 31.681 0.458 9 0 "[ . 1 . 2]"
1 51 SER 15.559 0.572 7 1 "[ . + 1 . 2]"
1 52 LYS 37.987 0.378 10 0 "[ . 1 . 2]"
1 53 MET 24.890 0.677 18 1 "[ . 1 . + 2]"
1 54 THR 30.932 0.687 12 4 "[ . - 1*+ *. 2]"
1 55 ARG 38.579 1.238 13 9 "[- *.*** 1**+*. 2]"
1 56 PRO 3.212 0.315 8 0 "[ . 1 . 2]"
1 57 GLY 8.887 0.316 5 0 "[ . 1 . 2]"
1 58 GLU 11.331 0.278 4 0 "[ . 1 . 2]"
1 59 PHE 29.995 0.875 7 1 "[ . + 1 . 2]"
1 60 THR 51.018 0.601 8 3 "[ - *+ 1 . 2]"
1 61 VAL 33.940 0.766 14 14 "[** *- **** +**** *]"
1 64 ASN 19.335 0.723 19 1 "[ . 1 . +2]"
1 65 SER 19.586 0.851 6 3 "[ *.+- 1 . 2]"
1 66 ILE 67.166 0.851 6 16 "[** **+* -*** ***** *]"
1 67 GLU 41.390 0.875 7 2 "[ .-+ 1 . 2]"
1 68 MET 30.800 0.766 14 14 "[** *- **** +**** *]"
1 69 ILE 58.689 0.677 18 2 "[- . 1 . + 2]"
1 70 ARG 8.751 0.971 14 2 "[ . 1 +.- 2]"
1 72 PRO 7.817 0.590 14 3 "[ . * 1 -+. 2]"
1 73 PHE 19.934 0.834 19 7 "[ . * 1**-** +2]"
1 74 ASP 8.321 0.271 10 0 "[ . 1 . 2]"
1 75 PHE 39.338 0.379 20 0 "[ . 1 . 2]"
1 76 PRO 63.699 0.711 16 1 "[ . 1 .+ 2]"
1 77 ASP 33.552 0.744 16 1 "[ . 1 .+ 2]"
1 78 SER 30.384 0.744 16 1 "[ . 1 .+ 2]"
1 79 LYS 36.011 0.379 20 0 "[ . 1 . 2]"
1 80 GLU 18.462 0.761 3 1 "[ + . 1 . 2]"
1 81 GLY 6.222 0.761 3 1 "[ + . 1 . 2]"
1 82 GLN 12.703 1.419 15 4 "[ -. * * + 2]"
1 83 VAL 35.082 0.971 14 3 "[ *. 1 +.- 2]"
1 84 ARG 30.623 0.308 17 0 "[ . 1 . 2]"
1 85 ALA 13.294 0.329 3 0 "[ . 1 . 2]"
1 86 ARG 13.123 0.291 19 0 "[ . 1 . 2]"
1 87 LEU 38.442 1.518 18 2 "[ .- 1 . + 2]"
1 88 THR 27.919 0.723 19 1 "[ . 1 . +2]"
1 89 PHE 36.447 0.634 14 2 "[ . 1 +- 2]"
1 90 ASP 7.604 0.273 8 0 "[ . 1 . 2]"
1 91 GLY 6.798 0.161 14 0 "[ . 1 . 2]"
1 92 ASP 22.883 0.762 14 1 "[ . 1 +. 2]"
1 93 HIS 34.314 0.556 16 3 "[* . 1 -+ 2]"
1 94 LEU 43.249 0.721 6 3 "[ .+ 1 *- 2]"
1 95 ALA 25.251 0.370 7 0 "[ . 1 . 2]"
1 96 THR 25.176 0.360 15 0 "[ . 1 . 2]"
1 97 ILE 54.751 0.371 18 0 "[ . 1 . 2]"
1 98 VAL 28.583 0.960 20 1 "[ . 1 . +]"
1 99 ASN 8.775 0.960 20 1 "[ . 1 . +]"
1 100 MET 34.811 0.386 16 0 "[ . 1 . 2]"
1 101 GLU 41.604 0.330 19 0 "[ . 1 . 2]"
1 102 ASN 13.788 0.330 19 0 "[ . 1 . 2]"
1 103 ASN 19.273 0.395 14 0 "[ . 1 . 2]"
1 106 PHE 4.595 0.362 20 0 "[ . 1 . 2]"
1 107 GLY 1.908 0.327 13 0 "[ . 1 . 2]"
1 108 PHE 0.777 0.270 12 0 "[ . 1 . 2]"
1 111 LEU 8.301 0.273 8 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 24 MET H 1 24 MET HA 2.192 . 2.793 2.884 2.833 2.914 0.121 19 0 "[ . 1 . 2]" 1
2 1 24 MET H 1 24 MET QB 2.369 . 3.071 3.078 2.856 3.231 0.160 18 0 "[ . 1 . 2]" 1
3 1 24 MET H 1 24 MET HG2 2.219 . 2.835 2.497 2.086 2.782 . 0 0 "[ . 1 . 2]" 1
4 1 24 MET H 1 25 VAL H 1.566 . 1.872 1.988 1.931 2.072 0.200 17 0 "[ . 1 . 2]" 1
5 1 24 MET H 1 25 VAL MG1 2.341 . 3.026 2.967 2.432 3.883 0.857 8 1 "[ . + 1 . 2]" 1
6 1 24 MET HA 1 24 MET QB 2.047 . 2.571 2.183 2.172 2.191 . 0 0 "[ . 1 . 2]" 1
7 1 24 MET HA 1 24 MET QG 2.453 . 3.205 3.317 3.296 3.396 0.191 17 0 "[ . 1 . 2]" 1
8 1 24 MET HA 1 25 VAL H 2.094 . 2.642 2.864 2.793 3.009 0.367 8 0 "[ . 1 . 2]" 1
9 1 24 MET HA 1 25 VAL HA 3.026 . 4.171 4.351 4.283 4.482 0.311 17 0 "[ . 1 . 2]" 1
10 1 24 MET QB 1 24 MET HG2 2.302 . 2.965 2.119 2.092 2.125 . 0 0 "[ . 1 . 2]" 1
11 1 24 MET QB 1 25 VAL HA 3.401 . 4.847 4.670 4.581 4.829 . 0 0 "[ . 1 . 2]" 1
12 1 24 MET QG 1 25 VAL HA 2.932 . 4.007 3.981 3.788 4.123 0.116 20 0 "[ . 1 . 2]" 1
13 1 24 MET HG2 1 25 VAL H 3.038 . 4.192 3.969 3.340 4.201 0.009 14 0 "[ . 1 . 2]" 1
14 1 25 VAL H 1 25 VAL HA 2.186 . 2.783 2.892 2.841 2.916 0.133 12 0 "[ . 1 . 2]" 1
15 1 25 VAL H 1 25 VAL MG1 2.095 . 2.644 2.308 1.819 3.267 0.623 8 1 "[ . + 1 . 2]" 1
16 1 25 VAL HA 1 25 VAL HB 2.549 . 3.361 2.466 2.391 2.541 . 0 0 "[ . 1 . 2]" 1
17 1 25 VAL HA 1 25 VAL MG2 2.013 . 2.520 2.507 2.314 3.207 0.687 18 3 "[ . - 1 *. + 2]" 1
18 1 25 VAL HB 1 25 VAL QG 1.996 . 2.494 1.894 1.890 1.897 . 0 0 "[ . 1 . 2]" 1
19 1 27 LEU QB 1 27 LEU MD1 2.073 . 2.610 2.049 2.006 2.077 . 0 0 "[ . 1 . 2]" 1
20 1 27 LEU HB3 1 97 ILE MG 3.676 . 5.365 3.908 2.365 5.537 0.172 4 0 "[ . 1 . 2]" 1
21 1 27 LEU MD1 1 68 MET HB2 2.622 . 3.481 2.814 2.577 3.293 . 0 0 "[ . 1 . 2]" 1
22 1 27 LEU QD 1 68 MET HG2 2.800 . 3.780 2.453 1.742 3.629 0.078 1 0 "[ . 1 . 2]" 1
23 1 27 LEU QD 1 28 GLU H 2.139 . 2.711 1.999 1.556 2.752 0.041 10 0 "[ . 1 . 2]" 1
24 1 27 LEU QD 1 28 GLU HA 2.015 . 2.523 2.865 2.588 3.968 1.445 18 2 "[ .- 1 . + 2]" 1
25 1 27 LEU QD 1 31 MET QB 2.831 . 3.833 3.465 3.173 3.575 . 0 0 "[ . 1 . 2]" 1
26 1 27 LEU QD 1 31 MET HG2 3.121 . 4.339 3.873 3.579 4.359 0.020 5 0 "[ . 1 . 2]" 1
27 1 27 LEU QD 1 68 MET HA 3.280 . 4.625 4.836 4.727 4.978 0.353 1 0 "[ . 1 . 2]" 1
28 1 27 LEU QD 1 87 LEU HA 3.263 . 4.594 4.434 3.923 4.689 0.095 18 0 "[ . 1 . 2]" 1
29 1 27 LEU MD1 1 87 LEU MD2 1.581 . 1.894 1.798 1.603 2.630 0.736 18 1 "[ . 1 . + 2]" 1
30 1 27 LEU QD 1 94 LEU QD 2.424 . 3.158 2.036 1.847 2.342 . 0 0 "[ . 1 . 2]" 1
31 1 27 LEU QD 1 97 ILE MD 2.308 . 2.974 2.126 1.841 2.644 . 0 0 "[ . 1 . 2]" 1
32 1 27 LEU QD 1 97 ILE MG 2.730 . 3.662 3.342 2.704 3.696 0.034 6 0 "[ . 1 . 2]" 1
33 1 28 GLU H 1 28 GLU HA 2.215 . 2.828 2.810 2.732 2.908 0.080 18 0 "[ . 1 . 2]" 1
34 1 28 GLU H 1 28 GLU QB 3.012 . 4.146 2.884 2.444 3.283 . 0 0 "[ . 1 . 2]" 1
35 1 28 GLU H 1 28 GLU HB3 2.512 . 3.301 3.557 3.132 3.942 0.641 14 6 "[ * . - *1* +.* 2]" 1
36 1 28 GLU H 1 31 MET QB 3.116 . 4.330 4.264 3.767 5.374 1.044 15 5 "[ - * * + *2]" 1
37 1 28 GLU H 1 97 ILE MD 2.576 . 3.406 3.369 2.936 3.634 0.228 5 0 "[ . 1 . 2]" 1
38 1 28 GLU H 1 97 ILE MG 3.553 . 5.131 5.144 4.893 5.309 0.178 8 0 "[ . 1 . 2]" 1
39 1 28 GLU HA 1 87 LEU QD 3.156 . 4.401 4.523 4.251 5.919 1.518 18 2 "[ .- 1 . + 2]" 1
40 1 28 GLU HA 1 97 ILE MD 2.764 . 3.719 2.250 1.765 3.965 0.246 18 0 "[ . 1 . 2]" 1
41 1 28 GLU QB 1 31 MET QB 3.397 . 4.840 5.055 3.538 6.613 1.773 19 5 "[ * - * * +2]" 1
42 1 28 GLU QB 1 97 ILE MD 3.195 . 4.471 3.702 2.308 4.478 0.007 6 0 "[ . 1 . 2]" 1
43 1 31 MET H 1 31 MET HA 2.352 . 3.044 2.793 2.701 2.893 . 0 0 "[ . 1 . 2]" 1
44 1 31 MET H 1 31 MET QB 2.335 . 2.977 2.203 2.123 2.308 . 0 0 "[ . 1 . 2]" 1
45 1 31 MET H 1 94 LEU HB2 2.935 . 4.012 3.999 3.476 4.245 0.233 10 0 "[ . 1 . 2]" 1
46 1 31 MET H 1 94 LEU QD 2.704 . 3.618 3.204 2.381 3.588 . 0 0 "[ . 1 . 2]" 1
47 1 31 MET HA 1 31 MET QB 2.246 . 2.877 2.334 2.221 2.443 . 0 0 "[ . 1 . 2]" 1
48 1 31 MET HA 1 31 MET HG2 2.580 . 3.412 3.709 3.575 3.826 0.414 6 0 "[ . 1 . 2]" 1
49 1 31 MET HA 1 31 MET HG3 2.441 . 3.186 2.680 2.546 2.808 . 0 0 "[ . 1 . 2]" 1
50 1 31 MET HA 1 32 THR H 1.973 . 2.460 2.109 2.058 2.147 . 0 0 "[ . 1 . 2]" 1
51 1 31 MET HA 1 33 ILE MG 2.815 . 3.805 3.934 3.798 4.016 0.211 19 0 "[ . 1 . 2]" 1
52 1 31 MET QB 1 31 MET HG3 2.963 . 3.223 2.479 2.411 2.546 . 0 0 "[ . 1 . 2]" 1
53 1 31 MET QB 1 32 THR H 2.870 . 3.900 3.620 3.520 3.813 . 0 0 "[ . 1 . 2]" 1
54 1 31 MET QB 1 33 ILE MG 3.086 . 3.710 3.179 2.919 3.443 . 0 0 "[ . 1 . 2]" 1
55 1 31 MET QB 1 94 LEU H 3.409 . 4.861 4.053 3.369 4.661 . 0 0 "[ . 1 . 2]" 1
56 1 31 MET QB 1 94 LEU HB2 3.234 . 4.541 2.416 1.728 3.131 0.199 13 0 "[ . 1 . 2]" 1
57 1 31 MET QB 1 94 LEU QD 3.151 . 3.614 1.802 1.763 1.892 0.147 14 0 "[ . 1 . 2]" 1
58 1 31 MET HG2 1 32 THR HA 3.500 . 5.032 5.040 3.959 5.328 0.296 4 0 "[ . 1 . 2]" 1
59 1 31 MET HG2 1 33 ILE H 3.497 . 5.026 4.560 3.498 4.894 . 0 0 "[ . 1 . 2]" 1
60 1 31 MET HG2 1 33 ILE HB 3.120 . 4.337 4.576 4.443 4.655 0.318 12 0 "[ . 1 . 2]" 1
61 1 31 MET HG2 1 33 ILE MD 2.654 . 3.534 3.605 3.551 3.665 0.131 12 0 "[ . 1 . 2]" 1
62 1 31 MET HG2 1 33 ILE HG12 3.080 . 4.266 3.791 2.818 4.247 . 0 0 "[ . 1 . 2]" 1
63 1 31 MET HG2 1 33 ILE MG 2.209 . 2.819 1.953 1.879 2.053 . 0 0 "[ . 1 . 2]" 1
64 1 31 MET HG2 1 94 LEU H 3.606 . 5.231 4.722 3.318 5.291 0.060 7 0 "[ . 1 . 2]" 1
65 1 31 MET HG2 1 94 LEU HB2 3.163 . 4.414 3.257 1.905 4.230 0.007 5 0 "[ . 1 . 2]" 1
66 1 31 MET HG2 1 94 LEU QD 2.607 . 3.457 2.566 2.023 3.250 . 0 0 "[ . 1 . 2]" 1
67 1 31 MET HG3 1 32 THR H 2.586 . 3.422 2.447 2.184 3.022 . 0 0 "[ . 1 . 2]" 1
68 1 31 MET HG3 1 32 THR HA 2.907 . 3.963 3.837 3.562 4.029 0.066 5 0 "[ . 1 . 2]" 1
69 1 31 MET HG3 1 32 THR HB 3.262 . 4.592 4.681 4.613 4.797 0.205 5 0 "[ . 1 . 2]" 1
70 1 31 MET HG3 1 33 ILE H 3.375 . 4.799 3.746 3.294 3.998 . 0 0 "[ . 1 . 2]" 1
71 1 31 MET HG3 1 33 ILE HB 3.003 . 4.130 4.450 4.379 4.589 0.459 3 0 "[ . 1 . 2]" 1
72 1 31 MET HG3 1 33 ILE MD 3.178 . 4.440 4.291 4.217 4.424 . 0 0 "[ . 1 . 2]" 1
73 1 31 MET HG3 1 33 ILE HG12 3.642 . 5.300 3.956 3.592 4.244 . 0 0 "[ . 1 . 2]" 1
74 1 31 MET HG3 1 33 ILE HG13 3.607 . 5.233 5.287 4.977 5.459 0.226 7 0 "[ . 1 . 2]" 1
75 1 31 MET HG3 1 33 ILE MG 2.208 . 2.817 1.743 1.698 1.829 . 0 0 "[ . 1 . 2]" 1
76 1 31 MET HG3 1 94 LEU HB2 3.071 . 4.250 3.386 2.921 3.897 . 0 0 "[ . 1 . 2]" 1
77 1 31 MET HG3 1 94 LEU QD 3.149 . 4.388 3.450 3.283 3.735 . 0 0 "[ . 1 . 2]" 1
78 1 32 THR H 1 32 THR HA 2.924 . 3.993 2.912 2.838 2.940 . 0 0 "[ . 1 . 2]" 1
79 1 32 THR H 1 32 THR HB 2.088 . 2.633 2.509 2.324 2.618 . 0 0 "[ . 1 . 2]" 1
80 1 32 THR H 1 33 ILE MG 2.834 . 3.838 3.100 2.809 3.658 . 0 0 "[ . 1 . 2]" 1
81 1 32 THR H 1 93 HIS HA 3.459 . 4.954 4.442 4.316 4.593 . 0 0 "[ . 1 . 2]" 1
82 1 32 THR HA 1 32 THR MG 2.140 . 2.712 2.551 2.519 2.595 . 0 0 "[ . 1 . 2]" 1
83 1 32 THR HA 1 33 ILE H 1.960 . 2.440 2.132 2.071 2.185 . 0 0 "[ . 1 . 2]" 1
84 1 32 THR HA 1 33 ILE HG13 3.515 . 5.059 5.055 4.874 5.161 0.102 14 0 "[ . 1 . 2]" 1
85 1 32 THR HA 1 33 ILE MG 2.915 . 3.977 3.511 3.419 3.681 . 0 0 "[ . 1 . 2]" 1
86 1 32 THR HA 1 93 HIS H 3.708 . 5.426 4.558 4.473 4.660 . 0 0 "[ . 1 . 2]" 1
87 1 32 THR HA 1 93 HIS HA 2.476 . 3.242 1.832 1.768 1.913 . 0 0 "[ . 1 . 2]" 1
88 1 32 THR HA 1 93 HIS HB2 2.774 . 3.736 2.069 1.911 2.212 . 0 0 "[ . 1 . 2]" 1
89 1 32 THR HA 1 93 HIS HB3 2.763 . 3.717 3.027 2.898 3.133 . 0 0 "[ . 1 . 2]" 1
90 1 32 THR HA 1 94 LEU H 2.562 . 3.383 1.719 1.686 1.793 0.055 7 0 "[ . 1 . 2]" 1
91 1 32 THR HA 1 94 LEU HB2 3.541 . 5.109 3.496 3.322 3.656 . 0 0 "[ . 1 . 2]" 1
92 1 32 THR HA 1 94 LEU HB3 3.032 . 4.181 4.205 4.101 4.310 0.129 10 0 "[ . 1 . 2]" 1
93 1 32 THR HB 1 32 THR MG 1.606 . 1.929 2.106 2.098 2.115 0.186 6 0 "[ . 1 . 2]" 1
94 1 32 THR HB 1 33 ILE MG 3.167 . 4.421 4.488 4.430 4.561 0.140 19 0 "[ . 1 . 2]" 1
95 1 32 THR HB 1 93 HIS HB2 2.877 . 3.911 3.982 3.916 4.060 0.149 14 0 "[ . 1 . 2]" 1
96 1 32 THR HB 1 93 HIS HB3 2.984 . 4.097 4.103 3.974 4.210 0.113 1 0 "[ . 1 . 2]" 1
97 1 32 THR HB 1 94 LEU H 3.129 . 4.353 4.659 4.628 4.716 0.363 13 0 "[ . 1 . 2]" 1
98 1 32 THR MG 1 92 ASP QB 2.189 . 2.788 3.082 2.995 3.550 0.762 14 1 "[ . 1 +. 2]" 1
99 1 32 THR MG 1 93 HIS H 2.566 . 3.389 3.634 3.578 3.686 0.297 14 0 "[ . 1 . 2]" 1
100 1 32 THR MG 1 93 HIS HA 2.156 . 2.737 2.107 2.031 2.213 . 0 0 "[ . 1 . 2]" 1
101 1 32 THR MG 1 93 HIS HB2 2.604 . 3.452 2.632 2.522 2.735 . 0 0 "[ . 1 . 2]" 1
102 1 32 THR MG 1 93 HIS HB3 2.539 . 3.345 1.770 1.739 1.803 . 0 0 "[ . 1 . 2]" 1
103 1 33 ILE H 1 33 ILE HA 2.769 . 3.727 2.931 2.924 2.941 . 0 0 "[ . 1 . 2]" 1
104 1 33 ILE H 1 33 ILE HB 2.776 . 3.739 3.755 3.727 3.781 0.042 4 0 "[ . 1 . 2]" 1
105 1 33 ILE H 1 33 ILE MD 2.724 . 3.651 3.927 3.890 3.954 0.303 16 0 "[ . 1 . 2]" 1
106 1 33 ILE H 1 33 ILE HG12 3.326 . 4.709 2.471 2.423 2.517 . 0 0 "[ . 1 . 2]" 1
107 1 33 ILE H 1 33 ILE HG13 3.268 . 4.603 2.946 2.813 3.069 . 0 0 "[ . 1 . 2]" 1
108 1 33 ILE H 1 33 ILE MG 2.159 . 2.741 2.605 2.520 2.660 . 0 0 "[ . 1 . 2]" 1
109 1 33 ILE H 1 93 HIS H 2.920 . 3.986 4.027 3.986 4.064 0.078 6 0 "[ . 1 . 2]" 1
110 1 33 ILE H 1 93 HIS HB2 2.641 . 3.513 3.577 3.554 3.612 0.099 8 0 "[ . 1 . 2]" 1
111 1 33 ILE H 1 93 HIS HB3 3.213 . 4.504 4.065 3.989 4.151 . 0 0 "[ . 1 . 2]" 1
112 1 33 ILE H 1 94 LEU H 2.516 . 3.307 2.113 2.057 2.231 . 0 0 "[ . 1 . 2]" 1
113 1 33 ILE H 1 94 LEU QD 3.482 . 4.451 3.743 3.665 3.802 . 0 0 "[ . 1 . 2]" 1
114 1 33 ILE HA 1 33 ILE HB 2.295 . 2.954 2.337 2.321 2.350 . 0 0 "[ . 1 . 2]" 1
115 1 33 ILE HA 1 33 ILE HG13 2.633 . 3.500 3.439 3.421 3.474 . 0 0 "[ . 1 . 2]" 1
116 1 33 ILE HA 1 33 ILE MG 2.047 . 2.571 2.525 2.483 2.560 . 0 0 "[ . 1 . 2]" 1
117 1 33 ILE HA 1 34 SER H 1.994 . 2.491 2.447 2.388 2.496 0.005 16 0 "[ . 1 . 2]" 1
118 1 33 ILE HA 1 37 GLU HB2 3.014 . 4.150 3.462 3.231 3.622 . 0 0 "[ . 1 . 2]" 1
119 1 33 ILE HA 1 37 GLU HB3 3.225 . 4.525 3.201 3.049 3.735 . 0 0 "[ . 1 . 2]" 1
120 1 33 ILE HA 1 37 GLU QG 2.932 . 4.007 3.965 3.851 4.064 0.057 19 0 "[ . 1 . 2]" 1
121 1 33 ILE HB 1 33 ILE MD 1.709 . 2.074 2.126 2.104 2.145 0.071 7 0 "[ . 1 . 2]" 1
122 1 33 ILE HB 1 33 ILE HG12 2.464 . 3.223 2.942 2.920 2.978 . 0 0 "[ . 1 . 2]" 1
123 1 33 ILE HB 1 33 ILE HG13 2.389 . 3.103 2.565 2.528 2.595 . 0 0 "[ . 1 . 2]" 1
124 1 33 ILE HB 1 33 ILE MG 1.631 . 1.963 2.019 2.009 2.039 0.076 14 0 "[ . 1 . 2]" 1
125 1 33 ILE HB 1 34 SER H 2.652 . 3.531 2.121 2.034 2.238 . 0 0 "[ . 1 . 2]" 1
126 1 33 ILE HB 1 37 GLU HA 3.474 . 4.982 4.532 4.462 4.646 . 0 0 "[ . 1 . 2]" 1
127 1 33 ILE HB 1 38 MET H 3.583 . 5.188 4.204 3.995 4.341 . 0 0 "[ . 1 . 2]" 1
128 1 33 ILE HB 1 41 LEU QD 2.650 . 3.528 3.073 2.784 3.340 . 0 0 "[ . 1 . 2]" 1
129 1 33 ILE HB 1 94 LEU QD 3.294 . 4.650 4.409 4.326 4.470 . 0 0 "[ . 1 . 2]" 1
130 1 33 ILE MD 1 33 ILE HG12 1.899 . 2.350 2.063 2.057 2.068 . 0 0 "[ . 1 . 2]" 1
131 1 33 ILE MD 1 33 ILE HG13 1.967 . 2.450 2.063 2.048 2.069 . 0 0 "[ . 1 . 2]" 1
132 1 33 ILE MD 1 33 ILE MG 1.616 . 1.943 2.072 2.001 2.146 0.203 13 0 "[ . 1 . 2]" 1
133 1 33 ILE MD 1 34 SER H 2.314 . 2.983 3.049 2.953 3.138 0.155 1 0 "[ . 1 . 2]" 1
134 1 33 ILE MD 1 37 GLU H 2.786 . 3.756 4.078 3.928 4.180 0.424 16 0 "[ . 1 . 2]" 1
135 1 33 ILE MD 1 37 GLU HB2 2.947 . 4.033 3.527 2.708 3.673 . 0 0 "[ . 1 . 2]" 1
136 1 33 ILE MD 1 37 GLU HB3 2.137 . 2.708 2.841 2.757 2.921 0.213 18 0 "[ . 1 . 2]" 1
137 1 33 ILE MD 1 38 MET H 2.434 . 3.174 2.859 2.571 3.002 . 0 0 "[ . 1 . 2]" 1
138 1 33 ILE MD 1 89 PHE HA 2.839 . 3.847 3.999 3.911 4.092 0.245 7 0 "[ . 1 . 2]" 1
139 1 33 ILE MD 1 89 PHE QE 2.924 . 3.993 2.459 2.209 2.896 . 0 0 "[ . 1 . 2]" 1
140 1 33 ILE MD 1 89 PHE HZ 3.205 . 4.489 3.885 3.721 4.140 . 0 0 "[ . 1 . 2]" 1
141 1 33 ILE MD 1 93 HIS HA 3.280 . 4.625 5.111 5.056 5.181 0.556 16 3 "[* . 1 -+ 2]" 1
142 1 33 ILE MD 1 94 LEU H 3.282 . 4.628 4.811 4.782 4.836 0.208 3 0 "[ . 1 . 2]" 1
143 1 33 ILE MD 1 94 LEU HA 2.834 . 3.838 3.878 3.829 3.942 0.104 18 0 "[ . 1 . 2]" 1
144 1 33 ILE MD 1 94 LEU QD 2.375 . 3.080 2.406 2.310 2.484 . 0 0 "[ . 1 . 2]" 1
145 1 33 ILE HG12 1 33 ILE MG 2.167 . 2.754 2.050 1.963 2.184 . 0 0 "[ . 1 . 2]" 1
146 1 33 ILE HG12 1 34 SER H 2.797 . 3.775 4.091 4.033 4.147 0.372 10 0 "[ . 1 . 2]" 1
147 1 33 ILE HG12 1 89 PHE QB 2.871 . 3.901 3.589 2.581 3.872 . 0 0 "[ . 1 . 2]" 1
148 1 33 ILE HG12 1 94 LEU QD 3.029 . 4.176 2.144 2.081 2.229 . 0 0 "[ . 1 . 2]" 1
149 1 33 ILE HG13 1 33 ILE MG 2.427 . 3.163 3.081 3.051 3.112 . 0 0 "[ . 1 . 2]" 1
150 1 33 ILE HG13 1 34 SER H 2.807 . 3.792 2.795 2.683 2.906 . 0 0 "[ . 1 . 2]" 1
151 1 33 ILE HG13 1 37 GLU HB3 3.149 . 4.388 3.913 3.790 4.326 . 0 0 "[ . 1 . 2]" 1
152 1 33 ILE HG13 1 94 LEU HB2 3.582 . 5.186 4.697 4.516 5.025 . 0 0 "[ . 1 . 2]" 1
153 1 33 ILE HG13 1 94 LEU QD 2.514 . 3.304 3.385 3.295 3.502 0.198 14 0 "[ . 1 . 2]" 1
154 1 33 ILE MG 1 37 GLU HB2 3.089 . 4.281 4.298 3.690 4.370 0.089 3 0 "[ . 1 . 2]" 1
155 1 33 ILE MG 1 37 GLU HB3 2.286 . 2.939 3.122 3.076 3.196 0.257 2 0 "[ . 1 . 2]" 1
156 1 33 ILE MG 1 41 LEU QD 1.781 . 2.177 2.319 2.161 2.522 0.345 9 0 "[ . 1 . 2]" 1
157 1 33 ILE MG 1 89 PHE QD 2.804 . 3.787 4.019 3.869 4.112 0.325 9 0 "[ . 1 . 2]" 1
158 1 33 ILE MG 1 93 HIS HA 2.782 . 3.749 3.867 3.803 3.922 0.173 13 0 "[ . 1 . 2]" 1
159 1 33 ILE MG 1 94 LEU H 2.799 . 3.778 3.582 3.422 3.647 . 0 0 "[ . 1 . 2]" 1
160 1 33 ILE MG 1 94 LEU HA 3.097 . 4.296 4.261 4.062 4.399 0.103 4 0 "[ . 1 . 2]" 1
161 1 33 ILE MG 1 94 LEU QD . . 2.777 2.722 2.588 2.834 0.057 5 0 "[ . 1 . 2]" 1
162 1 34 SER H 1 37 GLU HA 2.923 . 3.991 4.114 4.067 4.220 0.229 1 0 "[ . 1 . 2]" 1
163 1 34 SER H 1 37 GLU HB3 3.100 . 4.301 2.101 1.959 2.950 . 0 0 "[ . 1 . 2]" 1
164 1 34 SER H 1 37 GLU QG 2.678 . 3.574 3.258 2.899 3.388 . 0 0 "[ . 1 . 2]" 1
165 1 34 SER H 1 41 LEU QD 2.880 . 3.917 4.393 4.209 4.715 0.798 14 5 "[ . *- **+. 2]" 1
166 1 34 SER H 1 92 ASP HA 3.179 . 4.442 4.620 4.520 4.709 0.267 8 0 "[ . 1 . 2]" 1
167 1 35 LYS H 1 35 LYS HA 2.331 . 3.010 2.771 2.742 2.811 . 0 0 "[ . 1 . 2]" 1
168 1 35 LYS H 1 35 LYS QB 2.877 . 3.304 2.385 2.231 2.583 . 0 0 "[ . 1 . 2]" 1
169 1 35 LYS H 1 36 ASN H 2.519 . 3.312 2.906 2.700 3.040 . 0 0 "[ . 1 . 2]" 1
170 1 35 LYS H 1 37 GLU H 3.071 . 4.250 3.793 3.704 3.950 . 0 0 "[ . 1 . 2]" 1
171 1 35 LYS H 1 92 ASP HA 3.012 . 4.146 4.322 4.245 4.385 0.239 2 0 "[ . 1 . 2]" 1
172 1 35 LYS HA 1 35 LYS QB 3.633 . 5.283 2.368 2.167 2.477 . 0 0 "[ . 1 . 2]" 1
173 1 35 LYS HA 1 35 LYS QG 2.941 . 4.022 2.550 2.363 3.351 . 0 0 "[ . 1 . 2]" 1
174 1 35 LYS HA 1 36 ASN H 2.666 . 3.554 3.550 3.513 3.569 0.015 6 0 "[ . 1 . 2]" 1
175 1 35 LYS HA 1 36 ASN HA 3.258 . 4.585 4.633 4.602 4.656 0.071 10 0 "[ . 1 . 2]" 1
176 1 35 LYS HA 1 37 GLU H 3.381 . 4.810 4.109 4.044 4.190 . 0 0 "[ . 1 . 2]" 1
177 1 35 LYS HA 1 89 PHE QD 3.531 . 5.090 4.052 3.395 4.924 . 0 0 "[ . 1 . 2]" 1
178 1 35 LYS QB 1 35 LYS HG2 3.167 . 4.420 2.125 2.117 2.130 . 0 0 "[ . 1 . 2]" 1
179 1 35 LYS QB 1 36 ASN H 2.720 . 3.644 2.540 2.328 3.272 . 0 0 "[ . 1 . 2]" 1
180 1 35 LYS QB 1 36 ASN QB 3.104 . 4.309 3.956 3.508 4.204 . 0 0 "[ . 1 . 2]" 1
181 1 36 ASN H 1 36 ASN HA 2.195 . 2.797 2.890 2.877 2.899 0.102 4 0 "[ . 1 . 2]" 1
182 1 36 ASN H 1 36 ASN HB2 2.255 . 2.891 2.476 2.268 2.705 . 0 0 "[ . 1 . 2]" 1
183 1 36 ASN H 1 37 GLU H 2.297 . 2.956 2.343 2.307 2.405 . 0 0 "[ . 1 . 2]" 1
184 1 36 ASN H 1 37 GLU HA 3.304 . 4.669 4.802 4.754 4.845 0.176 2 0 "[ . 1 . 2]" 1
185 1 36 ASN H 1 38 MET H 2.996 . 4.118 4.087 3.908 4.198 0.080 14 0 "[ . 1 . 2]" 1
186 1 36 ASN HA 1 36 ASN QB 2.065 . 2.598 2.407 2.356 2.455 . 0 0 "[ . 1 . 2]" 1
187 1 36 ASN HA 1 37 GLU H 2.709 . 3.627 3.398 3.360 3.460 . 0 0 "[ . 1 . 2]" 1
188 1 36 ASN HA 1 38 MET H 3.181 . 4.446 3.665 3.484 4.069 . 0 0 "[ . 1 . 2]" 1
189 1 36 ASN HA 1 39 VAL HA 3.197 . 4.474 4.652 4.554 4.807 0.333 1 0 "[ . 1 . 2]" 1
190 1 36 ASN HA 1 39 VAL HB 2.391 . 3.105 2.111 1.939 2.298 . 0 0 "[ . 1 . 2]" 1
191 1 36 ASN HA 1 39 VAL QG 2.260 . 2.898 2.514 2.374 2.830 . 0 0 "[ . 1 . 2]" 1
192 1 36 ASN HA 1 40 LYS H 3.073 . 4.253 4.344 4.265 4.416 0.163 4 0 "[ . 1 . 2]" 1
193 1 36 ASN HA 1 40 LYS QD 3.223 . 4.521 4.562 4.464 5.554 1.033 1 1 "[+ . 1 . 2]" 1
194 1 36 ASN QB 1 37 GLU HG2 3.196 . 4.473 4.829 3.843 5.324 0.851 10 9 "[ .** *+** -. ** 2]" 1
195 1 36 ASN QB 1 39 VAL MG1 2.890 . 3.934 3.782 3.391 4.169 0.235 11 0 "[ . 1 . 2]" 1
196 1 36 ASN QB 1 37 GLU H 2.380 . 3.088 3.117 3.014 3.170 0.082 20 0 "[ . 1 . 2]" 1
197 1 36 ASN QB 1 37 GLU HA 3.338 . 4.731 3.959 3.584 4.110 . 0 0 "[ . 1 . 2]" 1
198 1 36 ASN QB 1 37 GLU HB2 3.362 . 4.775 4.625 4.471 4.790 0.015 1 0 "[ . 1 . 2]" 1
199 1 36 ASN QB 1 38 MET H 3.303 . 4.667 4.653 4.540 4.786 0.119 14 0 "[ . 1 . 2]" 1
200 1 36 ASN QB 1 40 LYS H 3.536 . 5.099 4.859 4.375 5.230 0.131 11 0 "[ . 1 . 2]" 1
201 1 36 ASN QB 1 40 LYS QD 3.134 . 4.362 3.985 3.703 4.618 0.256 1 0 "[ . 1 . 2]" 1
202 1 37 GLU H 1 37 GLU HA 2.348 . 3.037 2.780 2.744 2.794 . 0 0 "[ . 1 . 2]" 1
203 1 37 GLU H 1 37 GLU HB2 2.258 . 2.895 2.122 2.085 2.306 . 0 0 "[ . 1 . 2]" 1
204 1 37 GLU H 1 37 GLU HB3 3.029 . 4.176 3.313 3.263 3.559 . 0 0 "[ . 1 . 2]" 1
205 1 37 GLU H 1 37 GLU QG 2.427 . 3.163 3.311 2.785 3.401 0.238 9 0 "[ . 1 . 2]" 1
206 1 37 GLU H 1 38 MET H 2.313 . 2.982 2.457 2.377 2.542 . 0 0 "[ . 1 . 2]" 1
207 1 37 GLU H 1 40 LYS H 3.510 . 5.050 5.034 4.743 5.121 0.071 4 0 "[ . 1 . 2]" 1
208 1 37 GLU H 1 40 LYS QD 2.867 . 3.894 3.777 3.730 4.057 0.163 1 0 "[ . 1 . 2]" 1
209 1 37 GLU HA 1 37 GLU HB2 2.208 . 2.817 2.817 2.794 2.920 0.103 1 0 "[ . 1 . 2]" 1
210 1 37 GLU HA 1 37 GLU HB3 2.124 . 2.688 2.760 2.592 2.786 0.098 9 0 "[ . 1 . 2]" 1
211 1 37 GLU HA 1 37 GLU QG 2.281 . 2.931 2.110 2.072 2.259 . 0 0 "[ . 1 . 2]" 1
212 1 37 GLU HA 1 38 MET H 2.791 . 3.765 3.365 3.342 3.414 . 0 0 "[ . 1 . 2]" 1
213 1 37 GLU HA 1 38 MET HA 3.089 . 4.282 4.435 4.401 4.570 0.288 1 0 "[ . 1 . 2]" 1
214 1 37 GLU HA 1 39 VAL HB 3.709 . 5.429 4.748 4.647 4.854 . 0 0 "[ . 1 . 2]" 1
215 1 37 GLU HA 1 40 LYS H 2.720 . 3.645 3.627 3.182 3.719 0.074 5 0 "[ . 1 . 2]" 1
216 1 37 GLU HA 1 40 LYS HA 3.774 . 5.554 5.530 5.096 5.604 0.050 10 0 "[ . 1 . 2]" 1
217 1 37 GLU HA 1 40 LYS QD 2.460 . 3.216 1.541 1.527 1.561 0.214 6 0 "[ . 1 . 2]" 1
218 1 37 GLU HA 1 40 LYS QE 2.343 . 3.029 2.894 2.826 3.103 0.074 1 0 "[ . 1 . 2]" 1
219 1 37 GLU HA 1 40 LYS QG 2.605 . 3.453 2.999 2.062 3.075 . 0 0 "[ . 1 . 2]" 1
220 1 37 GLU HA 1 41 LEU H 3.107 . 4.313 4.372 3.895 4.451 0.138 10 0 "[ . 1 . 2]" 1
221 1 37 GLU HA 1 41 LEU QD 2.706 . 3.621 3.543 3.416 3.631 0.010 12 0 "[ . 1 . 2]" 1
222 1 37 GLU HB2 1 37 GLU QG 2.243 . 2.872 2.296 2.254 2.374 . 0 0 "[ . 1 . 2]" 1
223 1 37 GLU HB2 1 38 MET H 3.235 . 4.544 3.407 2.833 3.492 . 0 0 "[ . 1 . 2]" 1
224 1 37 GLU HB3 1 37 GLU QG 1.782 . 2.179 2.338 2.290 2.372 0.193 19 0 "[ . 1 . 2]" 1
225 1 37 GLU HB3 1 38 MET H 2.577 . 3.407 3.418 3.269 3.475 0.068 1 0 "[ . 1 . 2]" 1
226 1 37 GLU HB3 1 40 LYS QD 2.602 . 3.448 3.245 2.434 3.352 . 0 0 "[ . 1 . 2]" 1
227 1 37 GLU HB3 1 41 LEU QD 2.425 . 3.160 2.851 2.128 3.107 . 0 0 "[ . 1 . 2]" 1
228 1 37 GLU QG 1 40 LYS HG3 2.705 . 3.619 3.999 3.715 4.097 0.478 14 0 "[ . 1 . 2]" 1
229 1 37 GLU QG 1 40 LYS QE 3.035 . 4.186 2.727 2.553 2.940 . 0 0 "[ . 1 . 2]" 1
230 1 37 GLU QG 1 40 LYS QG 3.657 . 5.329 3.655 3.383 3.734 . 0 0 "[ . 1 . 2]" 1
231 1 37 GLU QG 1 41 LEU QD 2.712 . 3.632 3.295 3.143 3.616 . 0 0 "[ . 1 . 2]" 1
232 1 38 MET H 1 38 MET HA 2.659 . 3.543 2.873 2.783 2.909 . 0 0 "[ . 1 . 2]" 1
233 1 38 MET H 1 39 VAL QG 3.363 . 4.777 3.891 3.807 4.358 . 0 0 "[ . 1 . 2]" 1
234 1 38 MET H 1 40 LYS H 3.377 . 4.803 4.020 3.974 4.073 . 0 0 "[ . 1 . 2]" 1
235 1 38 MET H 1 40 LYS QD 2.795 . 3.772 3.867 3.823 4.039 0.267 1 0 "[ . 1 . 2]" 1
236 1 38 MET H 1 40 LYS QG 3.128 . 4.351 4.225 4.179 4.272 . 0 0 "[ . 1 . 2]" 1
237 1 38 MET HA 1 39 VAL HA 3.580 . 5.182 4.743 4.686 4.779 . 0 0 "[ . 1 . 2]" 1
238 1 38 MET HA 1 39 VAL QG 3.278 . 4.621 4.872 4.848 4.914 0.293 1 0 "[ . 1 . 2]" 1
239 1 38 MET HA 1 40 LYS QD 3.122 . 4.341 4.135 4.015 4.179 . 0 0 "[ . 1 . 2]" 1
240 1 38 MET HA 1 40 LYS QG 3.580 . 5.182 3.470 3.310 4.604 . 0 0 "[ . 1 . 2]" 1
241 1 38 MET HA 1 41 LEU H 2.633 . 3.499 2.814 2.706 3.015 . 0 0 "[ . 1 . 2]" 1
242 1 38 MET HA 1 41 LEU HA 3.229 . 4.533 4.562 4.493 4.630 0.097 13 0 "[ . 1 . 2]" 1
243 1 38 MET HA 1 41 LEU HB3 2.465 . 3.224 3.299 3.176 3.364 0.140 13 0 "[ . 1 . 2]" 1
244 1 38 MET HA 1 41 LEU QD 2.095 . 2.643 2.394 2.084 2.546 . 0 0 "[ . 1 . 2]" 1
245 1 38 MET HA 1 42 LEU QD 3.414 . 4.871 3.710 3.568 3.822 . 0 0 "[ . 1 . 2]" 1
246 1 38 MET HA 1 66 ILE MD 2.951 . 4.040 3.957 3.536 4.192 0.152 2 0 "[ . 1 . 2]" 1
247 1 38 MET QB 1 40 LYS QG 3.391 . 4.828 4.899 4.812 5.520 0.692 1 1 "[+ . 1 . 2]" 1
248 1 38 MET HB2 1 42 LEU QD 2.794 . 3.770 3.321 2.908 4.482 0.712 10 3 "[ - . *+ . 2]" 1
249 1 38 MET HB2 1 66 ILE MD 2.381 . 3.089 2.406 2.038 3.676 0.587 2 3 "[ + . -* . 2]" 1
250 1 39 VAL HA 1 39 VAL HB 2.646 . 3.521 2.953 2.934 2.965 . 0 0 "[ . 1 . 2]" 1
251 1 39 VAL HA 1 39 VAL MG2 2.136 . 2.706 2.167 2.133 2.182 . 0 0 "[ . 1 . 2]" 1
252 1 39 VAL HA 1 40 LYS H 2.759 . 3.711 3.430 3.412 3.449 . 0 0 "[ . 1 . 2]" 1
253 1 39 VAL HA 1 40 LYS HA 3.294 . 4.650 4.652 4.534 4.671 0.021 13 0 "[ . 1 . 2]" 1
254 1 39 VAL HA 1 40 LYS QB 3.552 . 5.129 5.330 5.307 5.474 0.345 1 0 "[ . 1 . 2]" 1
255 1 39 VAL HA 1 40 LYS QG 3.395 . 4.835 4.808 4.754 4.838 0.003 2 0 "[ . 1 . 2]" 1
256 1 39 VAL HA 1 41 LEU H 3.067 . 4.243 4.317 4.261 4.381 0.138 2 0 "[ . 1 . 2]" 1
257 1 39 VAL HA 1 42 LEU H 2.797 . 3.775 3.826 3.739 3.893 0.118 8 0 "[ . 1 . 2]" 1
258 1 39 VAL HA 1 42 LEU QD 2.450 . 3.200 1.955 1.814 2.111 0.046 2 0 "[ . 1 . 2]" 1
259 1 39 VAL HA 1 42 LEU HG 3.288 . 4.639 4.221 4.102 4.345 . 0 0 "[ . 1 . 2]" 1
260 1 39 VAL HA 1 43 GLU QG 3.173 . 4.432 4.264 4.189 4.337 . 0 0 "[ . 1 . 2]" 1
261 1 39 VAL HA 1 66 ILE MD 2.662 . 3.548 3.891 3.734 3.970 0.422 4 0 "[ . 1 . 2]" 1
262 1 39 VAL HB 1 39 VAL QG 1.993 . 2.490 1.894 1.892 1.895 . 0 0 "[ . 1 . 2]" 1
263 1 39 VAL HB 1 40 LYS H 2.299 . 2.960 2.811 2.734 2.988 0.028 1 0 "[ . 1 . 2]" 1
264 1 39 VAL HB 1 40 LYS HA 3.428 . 4.897 4.875 4.805 4.943 0.046 1 0 "[ . 1 . 2]" 1
265 1 39 VAL HB 1 40 LYS QG 3.182 . 4.448 4.459 3.710 4.538 0.090 19 0 "[ . 1 . 2]" 1
266 1 39 VAL QG 1 42 LEU QD 2.450 . 3.200 2.707 2.644 2.766 . 0 0 "[ . 1 . 2]" 1
267 1 39 VAL QG 1 42 LEU HG 3.166 . 4.419 4.610 4.562 4.668 0.249 16 0 "[ . 1 . 2]" 1
268 1 39 VAL MG1 1 40 LYS H 2.171 . 2.760 2.868 2.827 2.898 0.138 8 0 "[ . 1 . 2]" 1
269 1 39 VAL MG1 1 40 LYS HA 2.866 . 3.892 3.200 3.105 3.236 . 0 0 "[ . 1 . 2]" 1
270 1 39 VAL MG1 1 40 LYS HB3 2.558 . 3.376 3.578 3.552 3.603 0.227 11 0 "[ . 1 . 2]" 1
271 1 39 VAL MG1 1 43 GLU QG 2.812 . 3.800 3.664 3.535 3.756 . 0 0 "[ . 1 . 2]" 1
272 1 39 VAL MG2 1 42 LEU HG 2.620 . 3.478 3.527 3.480 3.584 0.106 16 0 "[ . 1 . 2]" 1
273 1 40 LYS H 1 40 LYS HA 2.391 . 3.106 2.869 2.857 2.883 . 0 0 "[ . 1 . 2]" 1
274 1 40 LYS H 1 40 LYS HB3 2.637 . 3.506 2.564 2.484 3.135 . 0 0 "[ . 1 . 2]" 1
275 1 40 LYS H 1 40 LYS QD 2.495 . 3.273 2.486 2.356 2.934 . 0 0 "[ . 1 . 2]" 1
276 1 40 LYS H 1 40 LYS QG 2.187 . 2.785 1.920 1.493 1.998 0.096 1 0 "[ . 1 . 2]" 1
277 1 40 LYS H 1 41 LEU H 2.362 . 3.059 2.428 2.286 2.489 . 0 0 "[ . 1 . 2]" 1
278 1 40 LYS H 1 41 LEU HB2 3.701 . 5.413 4.255 4.057 4.338 . 0 0 "[ . 1 . 2]" 1
279 1 40 LYS H 1 42 LEU H 3.159 . 4.406 4.379 4.252 4.462 0.056 8 0 "[ . 1 . 2]" 1
280 1 40 LYS H 1 43 GLU QG 3.362 . 4.775 4.607 4.517 4.744 . 0 0 "[ . 1 . 2]" 1
281 1 40 LYS HA 1 40 LYS QG 2.307 . 2.972 3.239 3.230 3.260 0.288 1 0 "[ . 1 . 2]" 1
282 1 40 LYS HA 1 42 LEU QD 3.527 . 5.082 3.409 3.306 3.444 . 0 0 "[ . 1 . 2]" 1
283 1 40 LYS HA 1 43 GLU H 2.697 . 3.606 3.653 3.596 3.687 0.081 18 0 "[ . 1 . 2]" 1
284 1 40 LYS HA 1 43 GLU HB2 2.941 . 4.022 2.951 2.868 3.049 . 0 0 "[ . 1 . 2]" 1
285 1 40 LYS HA 1 43 GLU HB3 2.977 . 4.085 4.351 4.320 4.375 0.290 2 0 "[ . 1 . 2]" 1
286 1 40 LYS HA 1 43 GLU QG 2.649 . 3.526 2.785 2.613 2.988 . 0 0 "[ . 1 . 2]" 1
287 1 40 LYS HA 1 44 ALA H 3.301 . 4.663 4.306 4.181 4.442 . 0 0 "[ . 1 . 2]" 1
288 1 40 LYS QB 1 40 LYS HG3 2.074 . 2.612 2.084 2.080 2.090 . 0 0 "[ . 1 . 2]" 1
289 1 40 LYS QB 1 40 LYS QE 3.020 . 4.160 2.492 1.923 2.794 . 0 0 "[ . 1 . 2]" 1
290 1 40 LYS HB2 1 44 ALA MB 2.257 . 2.894 3.218 3.172 3.310 0.416 9 0 "[ . 1 . 2]" 1
291 1 40 LYS QD 1 40 LYS QE 1.752 . 2.136 2.015 1.994 2.076 . 0 0 "[ . 1 . 2]" 1
292 1 40 LYS QD 1 40 LYS HE2 1.374 . 1.610 1.702 1.673 1.759 0.149 13 0 "[ . 1 . 2]" 1
293 1 40 LYS QD 1 40 LYS QG 1.691 . 2.048 1.923 1.914 1.985 . 0 0 "[ . 1 . 2]" 1
294 1 40 LYS QD 1 41 LEU H 3.113 . 3.755 3.278 2.285 3.364 . 0 0 "[ . 1 . 2]" 1
295 1 40 LYS QD 1 41 LEU QD 2.775 . 3.738 2.778 2.451 3.000 . 0 0 "[ . 1 . 2]" 1
296 1 40 LYS QE 1 40 LYS QG 2.183 . 2.779 2.489 2.187 2.797 0.018 19 0 "[ . 1 . 2]" 1
297 1 40 LYS QE 1 41 LEU QD 2.886 . 3.927 4.168 3.954 4.678 0.751 19 1 "[ . 1 . +2]" 1
298 1 40 LYS QG 1 41 LEU QD 2.084 . 2.627 2.670 2.501 3.818 1.191 1 1 "[+ . 1 . 2]" 1
299 1 41 LEU H 1 41 LEU HA 2.233 . 2.856 2.763 2.729 2.782 . 0 0 "[ . 1 . 2]" 1
300 1 41 LEU H 1 41 LEU HB2 2.020 . 2.530 2.109 2.073 2.136 . 0 0 "[ . 1 . 2]" 1
301 1 41 LEU H 1 41 LEU HB3 2.695 . 3.603 3.413 3.384 3.436 . 0 0 "[ . 1 . 2]" 1
302 1 41 LEU H 1 41 LEU QD 2.146 . 2.722 2.883 2.841 2.904 0.182 6 0 "[ . 1 . 2]" 1
303 1 41 LEU H 1 41 LEU HG 2.451 . 3.202 3.215 3.114 3.254 0.052 11 0 "[ . 1 . 2]" 1
304 1 41 LEU H 1 42 LEU H 2.327 . 3.004 2.922 2.857 3.014 0.010 8 0 "[ . 1 . 2]" 1
305 1 41 LEU H 1 42 LEU QD 2.979 . 3.926 3.302 3.241 3.348 . 0 0 "[ . 1 . 2]" 1
306 1 41 LEU H 1 44 ALA MB 2.576 . 3.405 3.658 3.623 3.690 0.285 9 0 "[ . 1 . 2]" 1
307 1 41 LEU HA 1 41 LEU HB2 2.567 . 3.391 2.879 2.868 2.889 . 0 0 "[ . 1 . 2]" 1
308 1 41 LEU HA 1 41 LEU HB3 2.770 . 3.729 2.652 2.638 2.665 . 0 0 "[ . 1 . 2]" 1
309 1 41 LEU HA 1 41 LEU QD 1.938 . 2.408 2.571 2.529 2.594 0.186 10 0 "[ . 1 . 2]" 1
310 1 41 LEU HA 1 41 LEU HG 2.400 . 3.120 1.940 1.915 1.976 . 0 0 "[ . 1 . 2]" 1
311 1 41 LEU HA 1 42 LEU H 2.767 . 3.724 3.588 3.565 3.614 . 0 0 "[ . 1 . 2]" 1
312 1 41 LEU HA 1 42 LEU QD 3.515 . 5.060 4.124 4.039 4.163 . 0 0 "[ . 1 . 2]" 1
313 1 41 LEU HA 1 44 ALA H 2.390 . 3.104 2.869 2.816 2.934 . 0 0 "[ . 1 . 2]" 1
314 1 41 LEU HA 1 44 ALA MB 1.890 . 2.337 1.798 1.761 1.841 . 0 0 "[ . 1 . 2]" 1
315 1 41 LEU HA 1 45 THR H 3.405 . 4.854 4.079 4.028 4.154 . 0 0 "[ . 1 . 2]" 1
316 1 41 LEU HA 1 45 THR MG 2.833 . 3.837 4.144 4.120 4.189 0.352 3 0 "[ . 1 . 2]" 1
317 1 41 LEU HB2 1 41 LEU QD 1.676 . 2.027 2.138 2.108 2.156 0.129 13 0 "[ . 1 . 2]" 1
318 1 41 LEU HB2 1 41 LEU HG 2.597 . 3.440 2.759 2.740 2.772 . 0 0 "[ . 1 . 2]" 1
319 1 41 LEU HB2 1 42 LEU H 2.905 . 3.960 3.080 2.943 3.161 . 0 0 "[ . 1 . 2]" 1
320 1 41 LEU HB2 1 42 LEU HA 3.147 . 4.385 4.766 4.704 4.837 0.452 13 0 "[ . 1 . 2]" 1
321 1 41 LEU HB2 1 42 LEU QD 3.121 . 4.339 3.596 3.358 3.701 . 0 0 "[ . 1 . 2]" 1
322 1 41 LEU HB2 1 42 LEU QD 3.445 . 4.928 2.799 2.691 2.969 . 0 0 "[ . 1 . 2]" 1
323 1 41 LEU HB3 1 41 LEU QD 1.902 . 2.354 2.058 2.049 2.067 . 0 0 "[ . 1 . 2]" 1
324 1 41 LEU HB3 1 41 LEU HG 2.231 . 2.853 2.865 2.856 2.876 0.023 8 0 "[ . 1 . 2]" 1
325 1 41 LEU HB3 1 42 LEU H 3.023 . 4.165 3.247 3.021 3.348 . 0 0 "[ . 1 . 2]" 1
326 1 41 LEU HB3 1 42 LEU QD 2.875 . 3.908 3.881 3.578 4.040 0.132 2 0 "[ . 1 . 2]" 1
327 1 41 LEU HB3 1 45 THR HB 3.581 . 5.184 3.711 3.511 3.850 . 0 0 "[ . 1 . 2]" 1
328 1 41 LEU HB3 1 45 THR MG 2.611 . 3.463 3.519 3.404 3.585 0.122 3 0 "[ . 1 . 2]" 1
329 1 41 LEU QD 1 41 LEU HG . . 2.000 1.881 1.878 1.885 . 0 0 "[ . 1 . 2]" 1
330 1 41 LEU QD 1 44 ALA MB 2.158 . 2.740 2.829 2.784 2.911 0.171 8 0 "[ . 1 . 2]" 1
331 1 41 LEU QD 1 45 THR HB 2.887 . 3.929 2.920 2.809 3.037 . 0 0 "[ . 1 . 2]" 1
332 1 41 LEU HG 1 44 ALA H 3.246 . 4.563 4.788 4.754 4.866 0.303 8 0 "[ . 1 . 2]" 1
333 1 41 LEU HG 1 45 THR HB 3.306 . 4.672 4.892 4.812 4.965 0.293 2 0 "[ . 1 . 2]" 1
334 1 42 LEU H 1 42 LEU HA 2.839 . 3.847 2.783 2.772 2.794 . 0 0 "[ . 1 . 2]" 1
335 1 42 LEU H 1 42 LEU HB3 3.088 . 4.280 3.015 2.953 3.097 . 0 0 "[ . 1 . 2]" 1
336 1 42 LEU H 1 42 LEU QD 2.275 . 2.922 1.595 1.495 1.650 0.134 19 0 "[ . 1 . 2]" 1
337 1 42 LEU H 1 42 LEU HG 2.707 . 3.623 3.791 3.713 3.838 0.215 2 0 "[ . 1 . 2]" 1
338 1 42 LEU H 1 43 GLU QG 3.309 . 4.677 3.700 3.607 3.802 . 0 0 "[ . 1 . 2]" 1
339 1 42 LEU HA 1 42 LEU QB 3.057 . 4.225 2.148 2.128 2.156 . 0 0 "[ . 1 . 2]" 1
340 1 42 LEU HA 1 42 LEU QD 2.574 . 3.402 3.006 2.960 3.032 . 0 0 "[ . 1 . 2]" 1
341 1 42 LEU HA 1 43 GLU H 3.261 . 4.590 3.476 3.464 3.484 . 0 0 "[ . 1 . 2]" 1
342 1 42 LEU HA 1 44 ALA MB 3.281 . 4.627 4.678 4.642 4.700 0.073 17 0 "[ . 1 . 2]" 1
343 1 42 LEU HA 1 45 THR H 3.327 . 4.711 3.291 3.231 3.349 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU HA 1 45 THR HA 3.424 . 4.890 5.203 5.156 5.235 0.345 14 0 "[ . 1 . 2]" 1
345 1 42 LEU HA 1 45 THR HB 3.155 . 4.399 3.597 3.504 3.695 . 0 0 "[ . 1 . 2]" 1
346 1 42 LEU HA 1 47 TYR H 3.585 . 5.191 3.817 3.662 3.970 . 0 0 "[ . 1 . 2]" 1
347 1 42 LEU HA 1 47 TYR HB3 3.522 . 5.073 3.258 3.082 3.411 . 0 0 "[ . 1 . 2]" 1
348 1 42 LEU HA 1 47 TYR QD 3.022 . 4.163 2.521 2.355 2.691 . 0 0 "[ . 1 . 2]" 1
349 1 42 LEU QB 1 42 LEU QD 2.275 . 2.922 2.010 1.991 2.019 . 0 0 "[ . 1 . 2]" 1
350 1 42 LEU QB 1 43 GLU H 3.710 . 5.430 3.420 3.305 3.498 . 0 0 "[ . 1 . 2]" 1
351 1 42 LEU QB 1 45 THR H 3.555 . 5.135 4.594 4.486 4.644 . 0 0 "[ . 1 . 2]" 1
352 1 42 LEU QB 1 47 TYR QD 3.398 . 4.841 2.343 2.160 2.467 . 0 0 "[ . 1 . 2]" 1
353 1 42 LEU HB2 1 61 VAL HB 2.867 . 3.894 4.428 4.031 4.660 0.766 14 14 "[** *- **** +**** *]" 1
354 1 42 LEU QB 1 61 VAL QG 2.300 . 2.961 2.851 2.742 2.948 . 0 0 "[ . 1 . 2]" 1
355 1 42 LEU HB2 1 48 ARG QD 3.349 . 4.751 4.676 4.528 4.752 0.001 2 0 "[ . 1 . 2]" 1
356 1 42 LEU HB3 1 42 LEU QD 2.369 . 3.071 2.124 2.085 2.157 . 0 0 "[ . 1 . 2]" 1
357 1 42 LEU HB3 1 66 ILE MD 2.517 . 3.309 2.679 2.406 3.035 . 0 0 "[ . 1 . 2]" 1
358 1 42 LEU MD1 1 42 LEU MD2 1.879 . 2.320 1.986 1.974 2.002 . 0 0 "[ . 1 . 2]" 1
359 1 42 LEU QD 1 42 LEU HG 2.052 . 2.327 1.857 1.848 1.866 . 0 0 "[ . 1 . 2]" 1
360 1 42 LEU QD 1 43 GLU H 2.853 . 3.870 1.591 1.568 1.613 0.268 17 0 "[ . 1 . 2]" 1
361 1 42 LEU QD 1 43 GLU HB3 3.244 . 4.559 3.849 3.810 3.892 . 0 0 "[ . 1 . 2]" 1
362 1 42 LEU QD 1 43 GLU QG 3.559 . 3.578 1.755 1.673 1.842 0.303 3 0 "[ . 1 . 2]" 1
363 1 42 LEU QD 1 44 ALA H 3.186 . 4.454 3.371 3.340 3.407 . 0 0 "[ . 1 . 2]" 1
364 1 42 LEU QD 1 44 ALA MB 3.070 . 4.248 4.175 4.138 4.202 . 0 0 "[ . 1 . 2]" 1
365 1 42 LEU QD 1 45 THR H 3.367 . 4.784 4.396 4.345 4.457 . 0 0 "[ . 1 . 2]" 1
366 1 42 LEU QD 1 45 THR MG 2.944 . 4.027 3.651 3.629 3.681 . 0 0 "[ . 1 . 2]" 1
367 1 42 LEU QD 1 47 TYR QD 2.997 . 4.120 3.709 3.528 3.822 . 0 0 "[ . 1 . 2]" 1
368 1 42 LEU QD 1 48 ARG HA 3.050 . 3.875 3.141 2.822 3.473 . 0 0 "[ . 1 . 2]" 1
369 1 42 LEU QD 1 61 VAL HA 3.628 . 5.274 3.945 3.758 4.146 . 0 0 "[ . 1 . 2]" 1
370 1 42 LEU QD 1 61 VAL QG 2.427 . 3.164 1.899 1.741 2.105 . 0 0 "[ . 1 . 2]" 1
371 1 42 LEU QD 1 66 ILE MD 2.099 . 2.650 1.701 1.629 1.776 0.164 2 0 "[ . 1 . 2]" 1
372 1 42 LEU QD 1 66 ILE QG 2.930 . 4.003 2.927 2.769 3.172 . 0 0 "[ . 1 . 2]" 1
373 1 42 LEU HG 1 43 GLU H 3.392 . 4.830 3.991 3.932 4.021 . 0 0 "[ . 1 . 2]" 1
374 1 42 LEU HG 1 47 TYR QD 3.103 . 4.306 4.314 4.077 4.475 0.169 16 0 "[ . 1 . 2]" 1
375 1 43 GLU H 1 43 GLU HA 2.510 . 3.297 2.819 2.811 2.828 . 0 0 "[ . 1 . 2]" 1
376 1 43 GLU H 1 43 GLU HB2 2.718 . 3.642 2.594 2.447 2.692 . 0 0 "[ . 1 . 2]" 1
377 1 43 GLU H 1 43 GLU HB3 2.669 . 3.560 3.515 3.489 3.534 . 0 0 "[ . 1 . 2]" 1
378 1 43 GLU H 1 43 GLU QG 2.644 . 3.293 1.823 1.757 1.913 0.013 9 0 "[ . 1 . 2]" 1
379 1 43 GLU H 1 44 ALA H 2.333 . 3.013 2.302 2.245 2.347 . 0 0 "[ . 1 . 2]" 1
380 1 43 GLU H 1 44 ALA HA 3.461 . 4.958 4.948 4.907 4.973 0.015 6 0 "[ . 1 . 2]" 1
381 1 43 GLU H 1 44 ALA MB 2.787 . 3.758 3.797 3.778 3.817 0.059 3 0 "[ . 1 . 2]" 1
382 1 43 GLU H 1 45 THR H 3.186 . 4.454 3.851 3.747 3.945 . 0 0 "[ . 1 . 2]" 1
383 1 43 GLU HA 1 43 GLU HB2 2.394 . 3.110 3.007 2.987 3.017 . 0 0 "[ . 1 . 2]" 1
384 1 43 GLU HA 1 43 GLU HB3 2.443 . 3.189 2.403 2.389 2.423 . 0 0 "[ . 1 . 2]" 1
385 1 43 GLU HA 1 43 GLU QG 2.481 . 3.251 2.770 2.579 3.029 . 0 0 "[ . 1 . 2]" 1
386 1 43 GLU HA 1 44 ALA H 2.464 . 3.223 3.376 3.352 3.402 0.179 1 0 "[ . 1 . 2]" 1
387 1 43 GLU HA 1 45 THR H 3.657 . 5.329 3.834 3.685 3.947 . 0 0 "[ . 1 . 2]" 1
388 1 43 GLU HA 1 46 GLN H 3.125 . 4.346 3.756 3.461 3.965 . 0 0 "[ . 1 . 2]" 1
389 1 43 GLU HA 1 46 GLN HA 3.355 . 4.762 3.991 3.561 4.311 . 0 0 "[ . 1 . 2]" 1
390 1 43 GLU HA 1 47 TYR H 2.631 . 3.496 3.246 2.849 3.532 0.036 13 0 "[ . 1 . 2]" 1
391 1 43 GLU HA 1 48 ARG QB 3.369 . 4.788 5.035 4.841 5.175 0.387 1 0 "[ . 1 . 2]" 1
392 1 43 GLU HA 1 48 ARG HG3 2.874 . 3.906 3.328 2.911 3.676 . 0 0 "[ . 1 . 2]" 1
393 1 43 GLU HB2 1 43 GLU QG . . 2.369 2.250 2.151 2.324 . 0 0 "[ . 1 . 2]" 1
394 1 43 GLU HB2 1 44 ALA H 2.530 . 3.330 2.692 2.589 2.797 . 0 0 "[ . 1 . 2]" 1
395 1 43 GLU HB2 1 44 ALA HA 2.721 . 3.646 3.862 3.776 3.954 0.308 3 0 "[ . 1 . 2]" 1
396 1 43 GLU HB2 1 44 ALA MB 2.684 . 3.585 3.281 3.171 3.384 . 0 0 "[ . 1 . 2]" 1
397 1 43 GLU HB3 1 43 GLU QG 2.759 . 3.710 2.319 2.260 2.368 . 0 0 "[ . 1 . 2]" 1
398 1 43 GLU HB3 1 44 ALA H 3.176 . 4.437 3.893 3.778 3.994 . 0 0 "[ . 1 . 2]" 1
399 1 43 GLU QG 1 44 ALA H 3.239 . 3.554 3.586 3.537 3.665 0.111 20 0 "[ . 1 . 2]" 1
400 1 43 GLU QG 1 48 ARG HA 3.429 . 4.899 4.467 4.231 4.650 . 0 0 "[ . 1 . 2]" 1
401 1 43 GLU QG 1 48 ARG QG 3.173 . 4.432 4.149 4.012 4.323 . 0 0 "[ . 1 . 2]" 1
402 1 44 ALA H 1 44 ALA HA 2.145 . 2.720 2.858 2.843 2.871 0.151 9 0 "[ . 1 . 2]" 1
403 1 44 ALA H 1 44 ALA MB 1.683 . 2.037 2.149 2.128 2.172 0.135 8 0 "[ . 1 . 2]" 1
404 1 44 ALA H 1 45 THR H 2.267 . 2.909 2.331 2.298 2.371 . 0 0 "[ . 1 . 2]" 1
405 1 44 ALA H 1 45 THR HA 3.347 . 4.747 4.887 4.840 4.938 0.191 4 0 "[ . 1 . 2]" 1
406 1 44 ALA H 1 45 THR HB 3.251 . 4.572 4.367 4.234 4.490 . 0 0 "[ . 1 . 2]" 1
407 1 44 ALA H 1 45 THR MG 2.520 . 3.314 3.449 3.389 3.499 0.185 18 0 "[ . 1 . 2]" 1
408 1 44 ALA H 1 46 GLN H 2.736 . 3.671 3.720 3.678 3.751 0.080 9 0 "[ . 1 . 2]" 1
409 1 44 ALA HA 1 44 ALA MB 1.665 . 2.012 2.110 2.104 2.118 0.106 8 0 "[ . 1 . 2]" 1
410 1 44 ALA HA 1 45 THR H 2.593 . 3.434 3.300 3.284 3.318 . 0 0 "[ . 1 . 2]" 1
411 1 44 ALA HA 1 46 GLN H 2.901 . 3.953 3.893 3.791 3.970 0.017 19 0 "[ . 1 . 2]" 1
412 1 44 ALA MB 1 45 THR HB 2.954 . 4.045 3.604 3.516 3.662 . 0 0 "[ . 1 . 2]" 1
413 1 45 THR H 1 45 THR HA 2.578 . 3.409 2.913 2.905 2.923 . 0 0 "[ . 1 . 2]" 1
414 1 45 THR H 1 45 THR HB 2.291 . 2.947 3.000 2.985 3.032 0.085 19 0 "[ . 1 . 2]" 1
415 1 45 THR H 1 45 THR MG 2.211 . 2.822 2.042 2.010 2.076 . 0 0 "[ . 1 . 2]" 1
416 1 45 THR H 1 46 GLN H 2.305 . 2.969 1.784 1.733 1.813 . 0 0 "[ . 1 . 2]" 1
417 1 45 THR H 1 46 GLN HA 2.733 . 3.667 3.900 3.871 3.923 0.256 11 0 "[ . 1 . 2]" 1
418 1 45 THR H 1 47 TYR H 2.734 . 3.669 3.430 3.370 3.488 . 0 0 "[ . 1 . 2]" 1
419 1 45 THR H 1 47 TYR HB3 3.201 . 4.482 4.534 4.448 4.610 0.128 5 0 "[ . 1 . 2]" 1
420 1 45 THR HA 1 46 GLN H 2.467 . 3.228 3.164 3.134 3.205 . 0 0 "[ . 1 . 2]" 1
421 1 45 THR HB 1 45 THR MG 1.712 . 2.078 2.110 2.100 2.114 0.036 19 0 "[ . 1 . 2]" 1
422 1 45 THR HB 1 46 GLN H 3.068 . 4.245 4.218 4.177 4.242 . 0 0 "[ . 1 . 2]" 1
423 1 45 THR HB 1 47 TYR QD 3.391 . 4.829 4.778 4.481 5.054 0.225 3 0 "[ . 1 . 2]" 1
424 1 45 THR MG 1 46 GLN H 2.336 . 3.018 2.851 2.775 2.907 . 0 0 "[ . 1 . 2]" 1
425 1 45 THR MG 1 46 GLN HA 2.908 . 3.965 4.160 4.104 4.228 0.263 11 0 "[ . 1 . 2]" 1
426 1 45 THR MG 1 46 GLN QB 3.505 . 5.040 4.118 4.012 4.181 . 0 0 "[ . 1 . 2]" 1
427 1 45 THR MG 1 47 TYR H 2.620 . 3.478 2.949 2.865 3.054 . 0 0 "[ . 1 . 2]" 1
428 1 46 GLN H 1 46 GLN HA 2.039 . 2.559 2.212 2.199 2.224 . 0 0 "[ . 1 . 2]" 1
429 1 46 GLN H 1 46 GLN QB 2.807 . 3.792 3.386 3.327 3.415 . 0 0 "[ . 1 . 2]" 1
430 1 46 GLN H 1 47 TYR H 2.309 . 2.975 2.691 2.594 2.773 . 0 0 "[ . 1 . 2]" 1
431 1 46 GLN H 1 47 TYR HB3 3.185 . 4.453 4.408 4.280 4.474 0.021 10 0 "[ . 1 . 2]" 1
432 1 46 GLN HA 1 46 GLN QB 1.849 . 2.276 2.365 2.333 2.401 0.125 10 0 "[ . 1 . 2]" 1
433 1 46 GLN HA 1 47 TYR H 2.388 . 3.101 2.469 2.412 2.518 . 0 0 "[ . 1 . 2]" 1
434 1 46 GLN HA 1 47 TYR HA 3.071 . 4.250 4.255 4.226 4.274 0.024 6 0 "[ . 1 . 2]" 1
435 1 46 GLN HA 1 48 ARG HD2 2.826 . 3.824 3.699 3.549 3.897 0.073 16 0 "[ . 1 . 2]" 1
436 1 46 GLN QB 1 47 TYR H 3.303 . 4.667 3.864 3.852 3.875 . 0 0 "[ . 1 . 2]" 1
437 1 46 GLN QB 1 47 TYR HA 3.078 . 4.262 4.370 4.335 4.395 0.133 2 0 "[ . 1 . 2]" 1
438 1 47 TYR H 1 47 TYR HA 2.077 . 2.616 2.814 2.802 2.826 0.210 19 0 "[ . 1 . 2]" 1
439 1 47 TYR H 1 47 TYR HB3 2.598 . 3.442 2.892 2.865 2.912 . 0 0 "[ . 1 . 2]" 1
440 1 47 TYR H 1 48 ARG H 3.061 . 4.232 4.146 4.121 4.170 . 0 0 "[ . 1 . 2]" 1
441 1 47 TYR H 1 48 ARG HD2 2.360 . 3.056 3.308 3.262 3.369 0.313 8 0 "[ . 1 . 2]" 1
442 1 47 TYR H 1 48 ARG HG3 2.335 . 3.017 3.236 3.184 3.311 0.294 11 0 "[ . 1 . 2]" 1
443 1 47 TYR HA 1 47 TYR HB2 1.992 . 2.488 2.252 2.240 2.264 . 0 0 "[ . 1 . 2]" 1
444 1 47 TYR HA 1 47 TYR QD 2.869 . 3.898 2.917 2.810 3.078 . 0 0 "[ . 1 . 2]" 1
445 1 47 TYR HA 1 48 ARG H 1.962 . 2.443 2.260 2.204 2.305 . 0 0 "[ . 1 . 2]" 1
446 1 47 TYR HA 1 58 GLU HB3 3.233 . 4.540 4.546 4.377 4.685 0.145 15 0 "[ . 1 . 2]" 1
447 1 47 TYR QB 1 48 ARG H 3.430 . 4.901 3.335 3.263 3.395 . 0 0 "[ . 1 . 2]" 1
448 1 47 TYR QB 1 59 PHE QD 3.475 . 4.985 3.084 2.756 3.437 . 0 0 "[ . 1 . 2]" 1
449 1 47 TYR QD 1 48 ARG H 2.412 . 3.139 1.721 1.641 1.848 0.044 5 0 "[ . 1 . 2]" 1
450 1 47 TYR QD 1 48 ARG HA 2.725 . 3.653 3.520 3.273 3.670 0.017 2 0 "[ . 1 . 2]" 1
451 1 47 TYR QD 1 48 ARG QB 2.782 . 3.749 4.088 4.027 4.139 0.390 14 0 "[ . 1 . 2]" 1
452 1 47 TYR QD 1 49 GLN HA 2.960 . 4.055 4.399 4.236 4.548 0.493 5 0 "[ . 1 . 2]" 1
453 1 47 TYR QD 1 50 VAL QG 3.037 . 4.190 3.449 3.345 3.578 . 0 0 "[ . 1 . 2]" 1
454 1 47 TYR QD 1 58 GLU HA 3.477 . 4.988 3.453 3.285 3.585 . 0 0 "[ . 1 . 2]" 1
455 1 47 TYR QD 1 58 GLU HB3 3.141 . 4.374 4.346 4.176 4.504 0.130 15 0 "[ . 1 . 2]" 1
456 1 47 TYR QD 1 59 PHE HA 3.019 . 4.158 4.469 4.395 4.580 0.422 5 0 "[ . 1 . 2]" 1
457 1 47 TYR QD 1 59 PHE HB3 3.575 . 5.173 4.415 4.255 4.570 . 0 0 "[ . 1 . 2]" 1
458 1 47 TYR QD 1 60 THR HA 3.149 . 4.389 4.741 4.624 4.891 0.502 5 1 "[ + 1 . 2]" 1
459 1 47 TYR QD 1 66 ILE MD 2.721 . 3.646 3.680 3.562 3.775 0.129 7 0 "[ . 1 . 2]" 1
460 1 47 TYR QE 1 48 ARG QD 3.361 . 4.773 5.222 5.088 5.420 0.647 7 3 "[ . + 1 * - 2]" 1
461 1 47 TYR QE 1 59 PHE HB2 3.226 . 4.527 2.769 2.689 2.885 . 0 0 "[ . 1 . 2]" 1
462 1 48 ARG H 1 48 ARG HA 2.548 . 3.360 2.915 2.892 2.939 . 0 0 "[ . 1 . 2]" 1
463 1 48 ARG H 1 48 ARG HB2 2.299 . 2.960 2.880 2.781 2.978 0.018 8 0 "[ . 1 . 2]" 1
464 1 48 ARG H 1 48 ARG HD3 2.402 . 3.123 1.899 1.835 1.992 . 0 0 "[ . 1 . 2]" 1
465 1 48 ARG H 1 48 ARG HG3 2.390 . 3.104 3.321 3.279 3.373 0.269 18 0 "[ . 1 . 2]" 1
466 1 48 ARG H 1 50 VAL QG 2.680 . 3.578 3.563 3.461 3.653 0.075 15 0 "[ . 1 . 2]" 1
467 1 48 ARG H 1 58 GLU HA 2.831 . 3.833 3.784 3.610 3.918 0.085 10 0 "[ . 1 . 2]" 1
468 1 48 ARG HA 1 48 ARG HB3 2.168 . 2.755 2.351 2.317 2.391 . 0 0 "[ . 1 . 2]" 1
469 1 48 ARG HA 1 48 ARG QD 2.744 . 3.685 3.488 3.444 3.516 . 0 0 "[ . 1 . 2]" 1
470 1 48 ARG HA 1 48 ARG HG3 2.066 . 2.599 2.647 2.559 2.730 0.131 8 0 "[ . 1 . 2]" 1
471 1 48 ARG HA 1 49 GLN H 2.098 . 2.648 2.470 2.383 2.523 . 0 0 "[ . 1 . 2]" 1
472 1 48 ARG QB 1 48 ARG HG2 1.911 . 2.367 2.067 2.058 2.078 . 0 0 "[ . 1 . 2]" 1
473 1 48 ARG QB 1 49 GLN H 2.388 . 3.101 2.655 2.565 2.798 . 0 0 "[ . 1 . 2]" 1
474 1 48 ARG QB 1 59 PHE H 3.561 . 5.147 5.374 5.310 5.448 0.301 19 0 "[ . 1 . 2]" 1
475 1 48 ARG HB2 1 48 ARG HD3 2.071 . 2.607 2.449 2.369 2.572 . 0 0 "[ . 1 . 2]" 1
476 1 48 ARG HB3 1 49 GLN H 2.484 . 3.255 2.769 2.667 2.929 . 0 0 "[ . 1 . 2]" 1
477 1 48 ARG QD 1 48 ARG HG3 1.629 . 1.961 2.088 2.078 2.099 0.138 18 0 "[ . 1 . 2]" 1
478 1 48 ARG QD 1 48 ARG HG3 1.725 . 2.097 2.131 2.121 2.142 0.045 18 0 "[ . 1 . 2]" 1
479 1 48 ARG QD 1 58 GLU HA 3.166 . 4.419 4.287 4.058 4.447 0.028 17 0 "[ . 1 . 2]" 1
480 1 48 ARG HD3 1 59 PHE H 3.250 . 4.570 4.631 4.465 4.772 0.202 17 0 "[ . 1 . 2]" 1
481 1 49 GLN H 1 49 GLN HA 2.530 . 3.330 2.730 2.684 2.770 . 0 0 "[ . 1 . 2]" 1
482 1 49 GLN H 1 49 GLN QB 2.362 . 3.060 2.256 2.205 2.283 . 0 0 "[ . 1 . 2]" 1
483 1 49 GLN H 1 49 GLN HG2 3.113 . 4.324 3.616 2.922 4.556 0.232 7 0 "[ . 1 . 2]" 1
484 1 49 GLN H 1 61 VAL HB 2.770 . 3.729 3.815 3.756 3.885 0.156 1 0 "[ . 1 . 2]" 1
485 1 49 GLN H 1 61 VAL QG 2.202 . 2.808 2.851 2.785 2.938 0.130 7 0 "[ . 1 . 2]" 1
486 1 49 GLN HA 1 49 GLN HG2 2.813 . 3.802 3.548 3.411 3.666 . 0 0 "[ . 1 . 2]" 1
487 1 49 GLN HA 1 49 GLN HG3 2.686 . 3.587 3.200 2.412 3.944 0.357 8 0 "[ . 1 . 2]" 1
488 1 49 GLN HA 1 50 VAL H 2.296 . 2.955 2.250 2.127 2.368 . 0 0 "[ . 1 . 2]" 1
489 1 49 GLN HA 1 50 VAL HA 2.921 . 3.988 4.252 4.202 4.293 0.305 13 0 "[ . 1 . 2]" 1
490 1 49 GLN HA 1 50 VAL QG 2.616 . 3.471 3.512 3.458 3.575 0.104 5 0 "[ . 1 . 2]" 1
491 1 49 GLN HA 1 60 THR HA 3.526 . 5.080 2.829 2.569 3.061 . 0 0 "[ . 1 . 2]" 1
492 1 49 GLN HA 1 61 VAL H 3.379 . 4.806 2.269 2.141 2.479 . 0 0 "[ . 1 . 2]" 1
493 1 49 GLN HA 1 61 VAL QG 3.054 . 4.220 2.202 2.021 2.513 . 0 0 "[ . 1 . 2]" 1
494 1 49 GLN QB 1 61 VAL MG2 2.899 . 3.950 2.591 1.962 3.172 . 0 0 "[ . 1 . 2]" 1
495 1 49 GLN QB 1 50 VAL HA 2.940 . 4.021 4.403 4.238 4.479 0.458 9 0 "[ . 1 . 2]" 1
496 1 49 GLN QB 1 61 VAL H 3.579 . 5.180 3.081 2.516 3.835 . 0 0 "[ . 1 . 2]" 1
497 1 49 GLN HG2 1 50 VAL H 2.700 . 3.611 3.400 2.854 3.751 0.140 13 0 "[ . 1 . 2]" 1
498 1 49 GLN HG2 1 50 VAL HA 2.831 . 3.833 3.870 3.491 4.032 0.199 2 0 "[ . 1 . 2]" 1
499 1 49 GLN HG3 1 50 VAL HA 2.817 . 3.809 3.801 3.455 4.113 0.304 5 0 "[ . 1 . 2]" 1
500 1 49 GLN HG3 1 60 THR HA 3.585 . 5.192 4.706 3.606 5.793 0.601 8 1 "[ . + 1 . 2]" 1
501 1 50 VAL H 1 50 VAL HA 2.642 . 3.515 2.843 2.832 2.859 . 0 0 "[ . 1 . 2]" 1
502 1 50 VAL H 1 50 VAL HB 3.250 . 4.570 2.684 2.564 2.783 . 0 0 "[ . 1 . 2]" 1
503 1 50 VAL H 1 51 SER HA 3.667 . 5.348 5.029 4.946 5.137 . 0 0 "[ . 1 . 2]" 1
504 1 50 VAL H 1 60 THR HA 2.798 . 3.776 2.441 2.250 2.603 . 0 0 "[ . 1 . 2]" 1
505 1 50 VAL H 1 60 THR HB 3.061 . 4.233 3.657 3.566 3.923 . 0 0 "[ . 1 . 2]" 1
506 1 50 VAL H 1 60 THR MG 2.418 . 3.149 2.821 2.494 3.016 . 0 0 "[ . 1 . 2]" 1
507 1 50 VAL H 1 61 VAL H 2.581 . 3.414 2.503 2.283 2.717 . 0 0 "[ . 1 . 2]" 1
508 1 50 VAL HA 1 50 VAL HB 2.376 . 3.082 2.968 2.959 2.984 . 0 0 "[ . 1 . 2]" 1
509 1 50 VAL HA 1 50 VAL QG 1.969 . 2.454 2.129 2.112 2.149 . 0 0 "[ . 1 . 2]" 1
510 1 50 VAL HA 1 51 SER HA 3.292 . 4.647 4.374 4.308 4.409 . 0 0 "[ . 1 . 2]" 1
511 1 50 VAL HA 1 51 SER QB 3.081 . 4.268 4.231 4.170 4.335 0.067 7 0 "[ . 1 . 2]" 1
512 1 50 VAL HA 1 60 THR MG 2.947 . 4.033 3.713 3.563 3.782 . 0 0 "[ . 1 . 2]" 1
513 1 50 VAL HB 1 50 VAL QG 2.011 . 2.516 1.872 1.866 1.878 . 0 0 "[ . 1 . 2]" 1
514 1 50 VAL HB 1 60 THR MG 2.733 . 3.667 1.820 1.778 1.870 0.021 10 0 "[ . 1 . 2]" 1
515 1 50 VAL MG1 1 50 VAL MG2 1.767 . 2.157 2.070 2.052 2.084 . 0 0 "[ . 1 . 2]" 1
516 1 50 VAL QG 1 51 SER HA 2.655 . 3.536 3.668 3.639 3.710 0.174 20 0 "[ . 1 . 2]" 1
517 1 50 VAL QG 1 51 SER QB 2.757 . 3.707 2.955 2.696 3.606 . 0 0 "[ . 1 . 2]" 1
518 1 50 VAL QG 1 52 LYS H 2.494 . 3.271 1.696 1.671 1.755 0.046 10 0 "[ . 1 . 2]" 1
519 1 50 VAL QG 1 52 LYS HA 2.535 . 3.338 3.035 2.965 3.123 . 0 0 "[ . 1 . 2]" 1
520 1 50 VAL QG 1 52 LYS QB 2.702 . 3.615 3.833 3.807 3.863 0.248 10 0 "[ . 1 . 2]" 1
521 1 50 VAL QG 1 53 MET H 2.442 . 3.188 3.047 2.877 3.122 . 0 0 "[ . 1 . 2]" 1
522 1 50 VAL QG 1 53 MET HA 2.693 . 2.899 1.852 1.804 1.996 . 0 0 "[ . 1 . 2]" 1
523 1 50 VAL QG 1 53 MET QB 2.323 . 2.997 2.720 2.585 2.962 . 0 0 "[ . 1 . 2]" 1
524 1 50 VAL QG 1 54 THR H 3.215 . 3.358 3.173 3.081 3.295 . 0 0 "[ . 1 . 2]" 1
525 1 50 VAL QG 1 58 GLU HA 2.834 . 3.838 3.983 3.896 4.072 0.234 16 0 "[ . 1 . 2]" 1
526 1 50 VAL QG 1 58 GLU HB2 3.545 . 5.116 3.366 3.027 3.597 . 0 0 "[ . 1 . 2]" 1
527 1 50 VAL QG 1 58 GLU HB3 2.401 . 3.122 2.738 2.570 2.910 . 0 0 "[ . 1 . 2]" 1
528 1 50 VAL QG 1 59 PHE H 2.520 . 3.314 2.995 2.940 3.082 . 0 0 "[ . 1 . 2]" 1
529 1 50 VAL QG 1 59 PHE HA 3.120 . 4.336 3.488 3.377 3.623 . 0 0 "[ . 1 . 2]" 1
530 1 50 VAL QG 1 60 THR H 3.097 . 4.296 4.023 3.941 4.119 . 0 0 "[ . 1 . 2]" 1
531 1 50 VAL QG 1 60 THR HA 3.048 . 4.210 3.110 3.052 3.174 . 0 0 "[ . 1 . 2]" 1
532 1 50 VAL QG 1 60 THR HB 2.892 . 3.937 4.000 3.981 4.033 0.096 10 0 "[ . 1 . 2]" 1
533 1 50 VAL QG 1 60 THR MG 1.870 . 2.307 1.833 1.786 1.855 . 0 0 "[ . 1 . 2]" 1
534 1 50 VAL QG 1 61 VAL H 3.172 . 4.429 4.316 4.241 4.391 . 0 0 "[ . 1 . 2]" 1
535 1 51 SER HA 1 52 LYS H 2.782 . 3.749 3.472 3.460 3.488 . 0 0 "[ . 1 . 2]" 1
536 1 51 SER HA 1 52 LYS HG2 3.086 . 4.276 4.538 4.477 4.600 0.324 1 0 "[ . 1 . 2]" 1
537 1 51 SER QB 1 52 LYS H 2.335 . 3.017 2.275 2.174 2.984 . 0 0 "[ . 1 . 2]" 1
538 1 51 SER QB 1 52 LYS QB 2.569 . 3.394 3.422 3.386 3.571 0.177 7 0 "[ . 1 . 2]" 1
539 1 51 SER QB 1 52 LYS HG2 2.533 . 3.335 2.384 2.307 2.668 . 0 0 "[ . 1 . 2]" 1
540 1 51 SER QB 1 60 THR MG 2.976 . 4.083 4.435 4.371 4.655 0.572 7 1 "[ . + 1 . 2]" 1
541 1 52 LYS H 1 52 LYS HA 2.393 . 3.109 2.859 2.844 2.873 . 0 0 "[ . 1 . 2]" 1
542 1 52 LYS H 1 52 LYS QB 2.465 . 3.225 3.212 3.180 3.235 0.010 16 0 "[ . 1 . 2]" 1
543 1 52 LYS H 1 52 LYS HG2 3.199 . 4.478 2.557 2.449 2.700 . 0 0 "[ . 1 . 2]" 1
544 1 52 LYS H 1 52 LYS QG 2.925 . 3.995 2.396 2.318 2.481 . 0 0 "[ . 1 . 2]" 1
545 1 52 LYS H 1 52 LYS HG3 2.861 . 3.884 2.895 2.844 2.982 . 0 0 "[ . 1 . 2]" 1
546 1 52 LYS H 1 53 MET H 2.954 . 4.045 3.896 3.786 3.943 . 0 0 "[ . 1 . 2]" 1
547 1 52 LYS H 1 53 MET HA 3.086 . 4.277 4.033 3.919 4.098 . 0 0 "[ . 1 . 2]" 1
548 1 52 LYS H 1 60 THR MG 2.558 . 3.376 3.217 3.157 3.302 . 0 0 "[ . 1 . 2]" 1
549 1 52 LYS HA 1 52 LYS QB 1.951 . 2.427 2.149 2.144 2.155 . 0 0 "[ . 1 . 2]" 1
550 1 52 LYS HA 1 52 LYS QE 2.899 . 3.949 4.050 4.021 4.083 0.134 4 0 "[ . 1 . 2]" 1
551 1 52 LYS HA 1 52 LYS QG 2.308 . 2.974 3.250 3.241 3.262 0.288 20 0 "[ . 1 . 2]" 1
552 1 52 LYS HA 1 53 MET H 1.970 . 2.455 2.076 2.033 2.113 . 0 0 "[ . 1 . 2]" 1
553 1 52 LYS HA 1 53 MET QB 2.899 . 3.949 3.925 3.852 3.977 0.028 7 0 "[ . 1 . 2]" 1
554 1 52 LYS QB 1 52 LYS HG2 1.582 . 1.895 2.201 2.179 2.218 0.323 8 0 "[ . 1 . 2]" 1
555 1 52 LYS QB 1 53 MET H 2.324 . 2.999 3.258 3.209 3.377 0.378 10 0 "[ . 1 . 2]" 1
556 1 52 LYS HB2 1 52 LYS HE3 2.379 . 3.087 1.806 1.778 1.843 . 0 0 "[ . 1 . 2]" 1
557 1 52 LYS HB2 1 54 THR HB 3.616 . 5.251 5.322 5.273 5.367 0.116 3 0 "[ . 1 . 2]" 1
558 1 52 LYS QE 1 52 LYS HG3 1.961 . 2.442 2.411 2.377 2.445 0.003 17 0 "[ . 1 . 2]" 1
559 1 52 LYS QE 1 54 THR HB 3.201 . 4.482 4.365 4.132 4.500 0.018 17 0 "[ . 1 . 2]" 1
560 1 52 LYS QE 1 54 THR MG 1.958 . 2.437 2.351 2.112 2.501 0.064 17 0 "[ . 1 . 2]" 1
561 1 52 LYS QG 1 53 MET HA 3.128 . 4.351 4.365 4.243 4.428 0.077 10 0 "[ . 1 . 2]" 1
562 1 52 LYS HG3 1 54 THR H 3.661 . 5.336 4.041 3.862 4.233 . 0 0 "[ . 1 . 2]" 1
563 1 52 LYS HG3 1 54 THR MG 2.271 . 2.915 3.080 3.016 3.153 0.238 11 0 "[ . 1 . 2]" 1
564 1 53 MET H 1 53 MET QB 2.632 . 3.498 2.268 2.019 2.399 . 0 0 "[ . 1 . 2]" 1
565 1 53 MET H 1 53 MET QG 2.719 . 3.149 3.056 2.480 3.590 0.441 10 0 "[ . 1 . 2]" 1
566 1 53 MET H 1 54 THR H 2.914 . 3.975 4.102 4.044 4.165 0.190 16 0 "[ . 1 . 2]" 1
567 1 53 MET H 1 60 THR HA 3.503 . 5.037 5.276 5.204 5.371 0.334 8 0 "[ . 1 . 2]" 1
568 1 53 MET H 1 60 THR MG 2.031 . 2.546 1.883 1.809 1.946 . 0 0 "[ . 1 . 2]" 1
569 1 53 MET HA 1 53 MET QB 2.294 . 2.952 2.151 2.118 2.428 . 0 0 "[ . 1 . 2]" 1
570 1 53 MET HA 1 53 MET QG 2.724 . 3.651 3.320 2.116 3.490 . 0 0 "[ . 1 . 2]" 1
571 1 53 MET HA 1 54 THR H 2.496 . 3.275 2.098 2.043 2.139 . 0 0 "[ . 1 . 2]" 1
572 1 53 MET HA 1 55 ARG QG 3.407 . 4.858 3.813 3.269 4.906 0.048 1 0 "[ . 1 . 2]" 1
573 1 53 MET HA 1 60 THR MG 2.081 . 2.623 2.638 2.519 2.748 0.125 17 0 "[ . 1 . 2]" 1
574 1 53 MET QB 1 54 THR H 2.833 . 3.836 3.680 3.628 3.821 . 0 0 "[ . 1 . 2]" 1
575 1 53 MET QB 1 59 PHE HA 3.645 . 5.232 2.209 1.871 3.604 0.114 11 0 "[ . 1 . 2]" 1
576 1 53 MET QB 1 59 PHE HB3 3.348 . 4.749 3.591 3.379 4.433 . 0 0 "[ . 1 . 2]" 1
577 1 53 MET QB 1 60 THR HA 3.577 . 5.176 3.480 3.349 3.931 . 0 0 "[ . 1 . 2]" 1
578 1 53 MET QB 1 60 THR HB 3.213 . 4.503 3.392 3.339 3.437 . 0 0 "[ . 1 . 2]" 1
579 1 53 MET QB 1 60 THR MG 2.429 . 2.722 1.639 1.604 1.786 0.088 1 0 "[ . 1 . 2]" 1
580 1 53 MET QB 1 69 ILE MD 2.569 . 3.394 2.951 2.596 3.366 . 0 0 "[ . 1 . 2]" 1
581 1 53 MET QG 1 54 THR H 3.062 . 4.234 4.147 3.322 4.402 0.168 8 0 "[ . 1 . 2]" 1
582 1 53 MET QG 1 54 THR HA 3.181 . 4.446 3.746 3.218 4.332 . 0 0 "[ . 1 . 2]" 1
583 1 53 MET QG 1 54 THR HB 3.374 . 4.797 4.314 3.988 4.938 0.141 10 0 "[ . 1 . 2]" 1
584 1 53 MET QG 1 60 THR H 3.441 . 4.921 3.166 2.174 3.690 . 0 0 "[ . 1 . 2]" 1
585 1 53 MET QG 1 60 THR HA 3.600 . 5.220 5.030 3.565 5.268 0.048 13 0 "[ . 1 . 2]" 1
586 1 53 MET QG 1 60 THR MG 2.269 . 2.912 3.139 2.238 3.271 0.359 8 0 "[ . 1 . 2]" 1
587 1 53 MET QG 1 67 GLU HB3 2.567 . 3.391 2.367 1.958 3.469 0.078 10 0 "[ . 1 . 2]" 1
588 1 53 MET QG 1 69 ILE MD 2.229 . 2.850 2.736 1.959 3.527 0.677 18 1 "[ . 1 . + 2]" 1
589 1 54 THR H 1 54 THR HA 2.523 . 3.319 2.845 2.823 2.863 . 0 0 "[ . 1 . 2]" 1
590 1 54 THR H 1 54 THR HB 2.992 . 4.111 3.483 3.462 3.515 . 0 0 "[ . 1 . 2]" 1
591 1 54 THR H 1 54 THR MG 2.174 . 2.765 2.416 2.360 2.467 . 0 0 "[ . 1 . 2]" 1
592 1 54 THR H 1 55 ARG H 2.409 . 3.134 3.305 3.234 3.353 0.219 16 0 "[ . 1 . 2]" 1
593 1 54 THR H 1 55 ARG QD 2.848 . 3.862 3.228 1.947 3.811 . 0 0 "[ . 1 . 2]" 1
594 1 54 THR H 1 55 ARG QG 2.821 . 3.816 2.638 2.260 3.366 . 0 0 "[ . 1 . 2]" 1
595 1 54 THR H 1 69 ILE MD 2.632 . 3.498 3.419 3.159 3.612 0.114 15 0 "[ . 1 . 2]" 1
596 1 54 THR HA 1 55 ARG H 2.440 . 3.184 2.158 2.099 2.218 . 0 0 "[ . 1 . 2]" 1
597 1 54 THR HA 1 55 ARG QD 2.939 . 4.019 4.381 3.732 4.706 0.687 12 4 "[ . - 1*+ *. 2]" 1
598 1 54 THR HA 1 55 ARG QG 3.081 . 4.268 3.880 3.668 4.214 . 0 0 "[ . 1 . 2]" 1
599 1 54 THR HA 1 69 ILE MD 2.433 . 3.173 1.978 1.882 2.070 . 0 0 "[ . 1 . 2]" 1
600 1 54 THR HA 1 69 ILE MG 3.407 . 4.858 3.637 3.385 3.915 . 0 0 "[ . 1 . 2]" 1
601 1 54 THR HB 1 54 THR MG 1.627 . 1.958 2.120 2.113 2.128 0.170 11 0 "[ . 1 . 2]" 1
602 1 54 THR HB 1 55 ARG H 3.189 . 4.460 4.392 4.335 4.435 . 0 0 "[ . 1 . 2]" 1
603 1 54 THR HB 1 69 ILE MD 2.677 . 3.572 3.735 3.651 3.799 0.227 16 0 "[ . 1 . 2]" 1
604 1 54 THR MG 1 55 ARG HA 3.160 . 4.408 4.363 4.280 4.441 0.033 1 0 "[ . 1 . 2]" 1
605 1 54 THR MG 1 55 ARG QD 2.541 . 3.348 3.148 2.866 3.531 0.183 4 0 "[ . 1 . 2]" 1
606 1 54 THR MG 1 55 ARG QG 2.534 . 3.336 3.467 3.235 3.573 0.237 16 0 "[ . 1 . 2]" 1
607 1 55 ARG H 1 55 ARG HA 2.650 . 3.528 2.874 2.863 2.883 . 0 0 "[ . 1 . 2]" 1
608 1 55 ARG H 1 55 ARG QB 2.642 . 3.515 2.885 2.691 3.037 . 0 0 "[ . 1 . 2]" 1
609 1 55 ARG H 1 55 ARG QG 2.367 . 3.067 2.836 2.609 3.206 0.139 7 0 "[ . 1 . 2]" 1
610 1 55 ARG H 1 58 GLU H 3.250 . 4.570 3.935 3.854 4.017 . 0 0 "[ . 1 . 2]" 1
611 1 55 ARG H 1 58 GLU HB2 2.922 . 3.989 4.132 4.030 4.267 0.278 4 0 "[ . 1 . 2]" 1
612 1 55 ARG H 1 69 ILE MD 2.227 . 2.847 1.683 1.578 1.783 0.029 13 0 "[ . 1 . 2]" 1
613 1 55 ARG H 1 69 ILE MG 3.313 . 4.685 3.412 3.155 3.648 . 0 0 "[ . 1 . 2]" 1
614 1 55 ARG HA 1 55 ARG QB 2.437 . 3.180 2.288 2.234 2.357 . 0 0 "[ . 1 . 2]" 1
615 1 55 ARG HA 1 55 ARG QD 2.042 . 2.563 2.791 2.330 3.801 1.238 13 5 "[* *.*- 1 + . 2]" 1
616 1 55 ARG HA 1 55 ARG QG 2.269 . 2.913 2.881 2.319 3.114 0.201 3 0 "[ . 1 . 2]" 1
617 1 55 ARG HA 1 69 ILE MD 2.721 . 3.646 3.939 3.861 3.991 0.345 15 0 "[ . 1 . 2]" 1
618 1 55 ARG QB 1 55 ARG HG3 2.105 . 2.659 2.103 2.068 2.118 . 0 0 "[ . 1 . 2]" 1
619 1 55 ARG QB 1 55 ARG QD 1.584 . 1.898 2.051 1.969 2.098 0.200 10 0 "[ . 1 . 2]" 1
620 1 55 ARG QB 1 58 GLU H 3.652 . 5.319 2.633 2.505 2.843 . 0 0 "[ . 1 . 2]" 1
621 1 55 ARG QD 1 55 ARG HG2 1.821 . 2.235 2.192 2.130 2.341 0.106 4 0 "[ . 1 . 2]" 1
622 1 55 ARG QG 1 58 GLU H 3.283 . 4.630 4.333 4.039 4.854 0.224 1 0 "[ . 1 . 2]" 1
623 1 55 ARG QG 1 69 ILE MD 2.777 . 3.741 3.791 3.624 4.293 0.552 1 1 "[+ . 1 . 2]" 1
624 1 56 PRO HA 1 57 GLY H 2.767 . 3.724 2.192 2.154 2.221 . 0 0 "[ . 1 . 2]" 1
625 1 56 PRO HA 1 57 GLY HA3 3.311 . 4.681 4.324 4.308 4.366 . 0 0 "[ . 1 . 2]" 1
626 1 56 PRO HA 1 58 GLU H 3.146 . 4.383 3.948 3.804 4.040 . 0 0 "[ . 1 . 2]" 1
627 1 56 PRO HA 1 69 ILE HB 3.414 . 4.871 3.579 3.009 3.998 . 0 0 "[ . 1 . 2]" 1
628 1 56 PRO HA 1 69 ILE MD 3.041 . 4.197 4.216 3.935 4.302 0.105 7 0 "[ . 1 . 2]" 1
629 1 56 PRO HA 1 69 ILE MG 2.659 . 3.543 3.154 2.667 3.572 0.029 10 0 "[ . 1 . 2]" 1
630 1 56 PRO HB2 1 57 GLY H 2.844 . 3.855 3.974 3.927 4.170 0.315 8 0 "[ . 1 . 2]" 1
631 1 57 GLY H 1 57 GLY HA3 2.934 . 4.010 2.914 2.885 2.948 . 0 0 "[ . 1 . 2]" 1
632 1 57 GLY H 1 58 GLU H 2.240 . 2.867 2.490 2.410 2.597 . 0 0 "[ . 1 . 2]" 1
633 1 57 GLY H 1 69 ILE H 3.384 . 4.816 4.818 4.560 4.967 0.151 15 0 "[ . 1 . 2]" 1
634 1 57 GLY H 1 69 ILE HB 2.772 . 3.733 2.679 2.327 2.887 . 0 0 "[ . 1 . 2]" 1
635 1 57 GLY H 1 69 ILE MD 2.881 . 3.919 4.164 4.063 4.235 0.316 5 0 "[ . 1 . 2]" 1
636 1 57 GLY H 1 69 ILE MG 2.684 . 3.585 3.586 3.387 3.688 0.103 11 0 "[ . 1 . 2]" 1
637 1 57 GLY HA2 1 58 GLU H 2.694 . 3.601 3.175 3.027 3.337 . 0 0 "[ . 1 . 2]" 1
638 1 57 GLY HA3 1 58 GLU H 2.800 . 3.780 3.424 3.338 3.492 . 0 0 "[ . 1 . 2]" 1
639 1 58 GLU H 1 58 GLU HA 2.455 . 3.209 2.956 2.939 2.971 . 0 0 "[ . 1 . 2]" 1
640 1 58 GLU H 1 58 GLU HB2 2.656 . 3.538 2.838 2.591 2.963 . 0 0 "[ . 1 . 2]" 1
641 1 58 GLU H 1 58 GLU HB3 3.218 . 4.512 3.866 3.757 3.927 . 0 0 "[ . 1 . 2]" 1
642 1 58 GLU H 1 59 PHE QD 2.496 . 3.275 3.042 2.829 3.283 0.008 19 0 "[ . 1 . 2]" 1
643 1 58 GLU H 1 69 ILE H 3.298 . 4.658 4.818 4.751 4.915 0.257 1 0 "[ . 1 . 2]" 1
644 1 58 GLU H 1 69 ILE HB 3.295 . 4.652 4.056 3.818 4.279 . 0 0 "[ . 1 . 2]" 1
645 1 58 GLU HA 1 59 PHE H 2.244 . 2.873 2.254 2.222 2.283 . 0 0 "[ . 1 . 2]" 1
646 1 58 GLU HA 1 59 PHE HA 3.203 . 4.486 4.341 4.317 4.370 . 0 0 "[ . 1 . 2]" 1
647 1 58 GLU HA 1 59 PHE QD 3.299 . 4.660 3.736 3.521 4.037 . 0 0 "[ . 1 . 2]" 1
648 1 58 GLU HB2 1 59 PHE H 2.981 . 4.092 3.944 3.786 4.079 . 0 0 "[ . 1 . 2]" 1
649 1 58 GLU HB3 1 59 PHE H 3.019 . 4.158 3.104 3.022 3.200 . 0 0 "[ . 1 . 2]" 1
650 1 58 GLU HB3 1 59 PHE HA 3.429 . 4.899 4.785 4.667 4.933 0.034 3 0 "[ . 1 . 2]" 1
651 1 59 PHE H 1 59 PHE HB2 3.419 . 4.880 3.031 2.903 3.108 . 0 0 "[ . 1 . 2]" 1
652 1 59 PHE H 1 60 THR HA 3.439 . 4.917 4.724 4.695 4.778 . 0 0 "[ . 1 . 2]" 1
653 1 59 PHE HA 1 60 THR H 2.795 . 3.771 2.576 2.527 2.608 . 0 0 "[ . 1 . 2]" 1
654 1 59 PHE HA 1 60 THR MG 2.728 . 3.658 3.762 3.713 3.809 0.151 7 0 "[ . 1 . 2]" 1
655 1 59 PHE HA 1 69 ILE H 3.153 . 4.396 3.745 3.517 3.977 . 0 0 "[ . 1 . 2]" 1
656 1 59 PHE HA 1 69 ILE MD 3.233 . 4.539 3.296 3.106 3.520 . 0 0 "[ . 1 . 2]" 1
657 1 59 PHE HB2 1 60 THR H 2.970 . 4.073 2.975 2.860 3.148 . 0 0 "[ . 1 . 2]" 1
658 1 59 PHE HB2 1 60 THR HA 3.131 . 4.356 4.431 4.391 4.479 0.123 7 0 "[ . 1 . 2]" 1
659 1 59 PHE HB2 1 66 ILE MG 2.889 . 3.932 3.079 2.850 3.270 . 0 0 "[ . 1 . 2]" 1
660 1 59 PHE HB2 1 67 GLU HB3 3.240 . 4.552 4.859 4.689 5.427 0.875 7 1 "[ . + 1 . 2]" 1
661 1 59 PHE HB2 1 68 MET HA 3.488 . 5.009 3.307 3.117 3.575 . 0 0 "[ . 1 . 2]" 1
662 1 59 PHE HB3 1 60 THR H 2.851 . 3.867 2.323 2.238 2.400 . 0 0 "[ . 1 . 2]" 1
663 1 59 PHE HB3 1 61 VAL QG 3.561 . 5.146 5.355 5.200 5.605 0.459 13 0 "[ . 1 . 2]" 1
664 1 59 PHE HB3 1 66 ILE MG 2.923 . 3.991 3.290 2.958 3.433 . 0 0 "[ . 1 . 2]" 1
665 1 59 PHE HB3 1 68 MET HA 1.591 . 1.908 2.075 1.951 2.248 0.340 19 0 "[ . 1 . 2]" 1
666 1 59 PHE QD 1 69 ILE MG 3.263 . 4.594 4.344 4.166 4.522 . 0 0 "[ . 1 . 2]" 1
667 1 60 THR H 1 60 THR HA 2.582 . 3.416 2.932 2.908 2.946 . 0 0 "[ . 1 . 2]" 1
668 1 60 THR H 1 60 THR HB 3.074 . 4.255 3.656 3.604 3.692 . 0 0 "[ . 1 . 2]" 1
669 1 60 THR H 1 60 THR MG 2.314 . 2.983 3.042 2.973 3.080 0.097 18 0 "[ . 1 . 2]" 1
670 1 60 THR H 1 61 VAL HA 3.544 . 5.114 4.956 4.671 5.079 . 0 0 "[ . 1 . 2]" 1
671 1 60 THR H 1 61 VAL QG 3.363 . 4.777 4.831 4.617 5.176 0.399 7 0 "[ . 1 . 2]" 1
672 1 60 THR H 1 66 ILE MG 2.681 . 3.579 3.723 3.627 3.794 0.215 18 0 "[ . 1 . 2]" 1
673 1 60 THR H 1 67 GLU H 2.536 . 3.340 3.346 3.207 3.447 0.107 17 0 "[ . 1 . 2]" 1
674 1 60 THR H 1 67 GLU HB2 3.264 . 4.595 4.023 3.721 4.292 . 0 0 "[ . 1 . 2]" 1
675 1 60 THR H 1 67 GLU QG 3.664 . 5.342 4.213 3.822 4.519 . 0 0 "[ . 1 . 2]" 1
676 1 60 THR H 1 68 MET HA 3.159 . 4.406 4.144 3.929 4.313 . 0 0 "[ . 1 . 2]" 1
677 1 60 THR HA 1 60 THR HB 2.081 . 2.622 2.536 2.517 2.563 . 0 0 "[ . 1 . 2]" 1
678 1 60 THR HA 1 60 THR MG 1.808 . 2.217 2.287 2.261 2.307 0.090 4 0 "[ . 1 . 2]" 1
679 1 60 THR HA 1 61 VAL H 2.030 . 2.545 2.112 2.046 2.208 . 0 0 "[ . 1 . 2]" 1
680 1 60 THR HA 1 61 VAL HA 3.315 . 4.689 4.305 4.264 4.329 . 0 0 "[ . 1 . 2]" 1
681 1 60 THR HA 1 61 VAL HB 2.870 . 3.900 4.158 3.928 4.269 0.369 14 0 "[ . 1 . 2]" 1
682 1 60 THR HB 1 60 THR MG 1.817 . 2.229 2.095 2.082 2.104 . 0 0 "[ . 1 . 2]" 1
683 1 60 THR HB 1 61 VAL H 2.144 . 2.719 2.841 2.780 2.905 0.186 3 0 "[ . 1 . 2]" 1
684 1 60 THR HB 1 67 GLU H 3.295 . 4.652 4.711 4.662 4.785 0.133 8 0 "[ . 1 . 2]" 1
685 1 60 THR HB 1 67 GLU HB2 3.475 . 4.984 4.557 4.125 4.900 . 0 0 "[ . 1 . 2]" 1
686 1 60 THR HB 1 67 GLU HB3 3.694 . 5.400 4.276 4.048 4.611 . 0 0 "[ . 1 . 2]" 1
687 1 60 THR MG 1 67 GLU HB2 3.353 . 4.758 4.810 4.575 4.909 0.151 9 0 "[ . 1 . 2]" 1
688 1 61 VAL H 1 61 VAL HA 2.936 . 4.013 2.933 2.924 2.941 . 0 0 "[ . 1 . 2]" 1
689 1 61 VAL H 1 61 VAL HB 2.124 . 2.688 2.441 2.299 2.731 0.043 13 0 "[ . 1 . 2]" 1
690 1 61 VAL H 1 61 VAL QG 2.088 . 2.633 2.529 2.211 2.640 0.007 14 0 "[ . 1 . 2]" 1
691 1 61 VAL HA 1 61 VAL HB 2.867 . 3.895 2.878 2.527 3.012 . 0 0 "[ . 1 . 2]" 1
692 1 61 VAL HA 1 61 VAL QG 2.060 . 2.590 2.093 2.050 2.150 . 0 0 "[ . 1 . 2]" 1
693 1 61 VAL HA 1 66 ILE HA 2.638 . 3.508 2.868 2.735 2.978 . 0 0 "[ . 1 . 2]" 1
694 1 61 VAL HA 1 66 ILE MD 3.322 . 4.701 3.588 3.421 3.765 . 0 0 "[ . 1 . 2]" 1
695 1 61 VAL HA 1 66 ILE MG 2.844 . 3.855 3.143 2.751 3.354 . 0 0 "[ . 1 . 2]" 1
696 1 61 VAL HA 1 67 GLU H 2.908 . 3.965 3.507 3.221 3.662 . 0 0 "[ . 1 . 2]" 1
697 1 61 VAL HB 1 61 VAL QG 1.809 . 2.218 1.888 1.868 1.899 . 0 0 "[ . 1 . 2]" 1
698 1 61 VAL QG 1 66 ILE HA 2.651 . 3.529 3.696 3.525 3.810 0.281 1 0 "[ . 1 . 2]" 1
699 1 61 VAL QG 1 66 ILE MD 1.977 . 2.466 2.343 1.911 2.599 0.133 14 0 "[ . 1 . 2]" 1
700 1 61 VAL QG 1 66 ILE MG 2.299 . 2.960 3.101 3.004 3.162 0.202 14 0 "[ . 1 . 2]" 1
701 1 64 ASN HA 1 64 ASN HB3 2.032 . 2.548 2.458 2.416 2.501 . 0 0 "[ . 1 . 2]" 1
702 1 64 ASN HA 1 65 SER H 2.492 . 3.268 3.295 3.248 3.330 0.062 3 0 "[ . 1 . 2]" 1
703 1 64 ASN HA 1 89 PHE H 3.010 . 4.142 4.070 3.677 4.279 0.137 14 0 "[ . 1 . 2]" 1
704 1 64 ASN HA 1 89 PHE QB 3.142 . 4.376 3.064 2.789 4.243 . 0 0 "[ . 1 . 2]" 1
705 1 64 ASN HA 1 89 PHE QD 2.948 . 4.034 2.458 2.018 2.687 . 0 0 "[ . 1 . 2]" 1
706 1 64 ASN HA 1 89 PHE QE 3.498 . 5.027 4.311 3.458 4.638 . 0 0 "[ . 1 . 2]" 1
707 1 64 ASN HB2 1 65 SER H 2.459 . 3.215 3.266 3.165 3.312 0.097 20 0 "[ . 1 . 2]" 1
708 1 64 ASN HB2 1 65 SER HA 3.273 . 4.612 4.736 4.631 4.794 0.182 10 0 "[ . 1 . 2]" 1
709 1 64 ASN HB2 1 89 PHE QD 3.131 . 4.357 4.609 4.480 4.703 0.346 7 0 "[ . 1 . 2]" 1
710 1 64 ASN HB2 1 111 LEU QB 2.484 . 3.255 3.296 2.715 3.518 0.263 11 0 "[ . 1 . 2]" 1
711 1 64 ASN HB3 1 65 SER HA 3.328 . 4.712 4.744 4.674 4.816 0.104 7 0 "[ . 1 . 2]" 1
712 1 64 ASN HB3 1 88 THR MG 2.458 . 3.213 3.513 3.394 3.936 0.723 19 1 "[ . 1 . +2]" 1
713 1 64 ASN HB3 1 89 PHE H 2.921 . 3.987 3.811 3.575 4.006 0.019 19 0 "[ . 1 . 2]" 1
714 1 64 ASN HB3 1 89 PHE QD 3.161 . 4.410 4.020 3.736 4.165 . 0 0 "[ . 1 . 2]" 1
715 1 64 ASN HB3 1 111 LEU QB 2.472 . 3.236 3.182 2.582 3.388 0.152 19 0 "[ . 1 . 2]" 1
716 1 65 SER H 1 65 SER HA 2.670 . 3.561 2.896 2.875 2.910 . 0 0 "[ . 1 . 2]" 1
717 1 65 SER H 1 65 SER HB3 2.582 . 3.415 3.714 3.309 3.911 0.496 18 0 "[ . 1 . 2]" 1
718 1 65 SER HA 1 66 ILE H 2.706 . 3.621 2.218 2.121 2.274 . 0 0 "[ . 1 . 2]" 1
719 1 65 SER HA 1 66 ILE HB 3.364 . 4.778 4.326 4.248 4.406 . 0 0 "[ . 1 . 2]" 1
720 1 65 SER HA 1 87 LEU QD 3.593 . 5.206 4.509 4.438 4.565 . 0 0 "[ . 1 . 2]" 1
721 1 65 SER HA 1 88 THR HB 3.620 . 5.258 4.877 4.760 5.000 . 0 0 "[ . 1 . 2]" 1
722 1 65 SER HA 1 88 THR MG 2.414 . 3.142 3.216 3.155 3.271 0.129 8 0 "[ . 1 . 2]" 1
723 1 65 SER HA 1 89 PHE H 2.907 . 3.963 2.554 2.392 3.011 . 0 0 "[ . 1 . 2]" 1
724 1 65 SER HA 1 89 PHE QB 3.348 . 4.749 4.106 3.845 4.710 . 0 0 "[ . 1 . 2]" 1
725 1 65 SER HA 1 89 PHE QD 2.912 . 3.972 2.827 2.513 3.385 . 0 0 "[ . 1 . 2]" 1
726 1 65 SER HA 1 89 PHE QE 3.547 . 5.120 2.985 2.687 3.400 . 0 0 "[ . 1 . 2]" 1
727 1 65 SER HB2 1 66 ILE H 2.598 . 3.442 3.630 2.911 4.293 0.851 6 3 "[ *.+- 1 . 2]" 1
728 1 65 SER HB2 1 88 THR HA 3.033 . 4.183 3.498 2.560 4.463 0.280 6 0 "[ . 1 . 2]" 1
729 1 65 SER HB3 1 66 ILE H 3.150 . 4.390 3.379 2.934 4.077 . 0 0 "[ . 1 . 2]" 1
730 1 65 SER HB3 1 88 THR HA 3.394 . 4.834 2.556 2.288 3.405 . 0 0 "[ . 1 . 2]" 1
731 1 65 SER HB3 1 88 THR MG 3.071 . 4.250 3.038 2.001 3.848 . 0 0 "[ . 1 . 2]" 1
732 1 66 ILE H 1 66 ILE HB 3.112 . 4.322 2.300 2.262 2.343 . 0 0 "[ . 1 . 2]" 1
733 1 66 ILE H 1 66 ILE MD 2.889 . 3.932 4.100 4.046 4.142 0.210 19 0 "[ . 1 . 2]" 1
734 1 66 ILE H 1 66 ILE MG 2.686 . 3.588 3.579 3.540 3.620 0.032 8 0 "[ . 1 . 2]" 1
735 1 66 ILE H 1 67 GLU H 3.301 . 4.663 4.489 4.445 4.543 . 0 0 "[ . 1 . 2]" 1
736 1 66 ILE H 1 67 GLU HA 3.258 . 4.585 4.777 4.728 4.846 0.261 4 0 "[ . 1 . 2]" 1
737 1 66 ILE H 1 87 LEU QD 2.844 . 3.286 3.306 3.197 3.354 0.068 20 0 "[ . 1 . 2]" 1
738 1 66 ILE H 1 88 THR HA 3.080 . 4.266 3.032 2.959 3.115 . 0 0 "[ . 1 . 2]" 1
739 1 66 ILE H 1 89 PHE H 2.981 . 4.092 4.328 4.227 4.431 0.339 6 0 "[ . 1 . 2]" 1
740 1 66 ILE H 1 89 PHE QD 3.129 . 4.353 4.015 3.827 4.307 . 0 0 "[ . 1 . 2]" 1
741 1 66 ILE HA 1 66 ILE MD 2.678 . 3.574 3.694 3.665 3.713 0.139 12 0 "[ . 1 . 2]" 1
742 1 66 ILE HA 1 66 ILE QG 3.154 . 4.398 2.204 2.166 2.226 . 0 0 "[ . 1 . 2]" 1
743 1 66 ILE HA 1 66 ILE MG 2.339 . 3.023 2.720 2.680 2.749 . 0 0 "[ . 1 . 2]" 1
744 1 66 ILE HA 1 67 GLU H 2.425 . 3.160 2.482 2.387 2.535 . 0 0 "[ . 1 . 2]" 1
745 1 66 ILE HA 1 87 LEU QD 2.996 . 4.118 4.163 4.052 4.299 0.181 6 0 "[ . 1 . 2]" 1
746 1 66 ILE HB 1 66 ILE MD 2.723 . 3.650 2.388 2.335 2.502 . 0 0 "[ . 1 . 2]" 1
747 1 66 ILE HB 1 66 ILE MG 2.299 . 2.959 2.119 2.116 2.125 . 0 0 "[ . 1 . 2]" 1
748 1 66 ILE HB 1 87 LEU QD 2.861 . 3.884 1.999 1.887 2.112 . 0 0 "[ . 1 . 2]" 1
749 1 66 ILE HB 1 89 PHE QE 3.453 . 4.943 3.032 2.857 3.178 . 0 0 "[ . 1 . 2]" 1
750 1 66 ILE MD 1 66 ILE MG 1.850 . 2.278 2.006 1.892 2.081 . 0 0 "[ . 1 . 2]" 1
751 1 66 ILE MD 1 67 GLU H 2.868 . 3.896 4.251 4.163 4.285 0.389 15 0 "[ . 1 . 2]" 1
752 1 66 ILE MD 1 87 LEU QD 2.110 . 2.667 2.645 2.539 2.715 0.048 16 0 "[ . 1 . 2]" 1
753 1 66 ILE MD 1 89 PHE QE 2.360 . 3.056 3.016 2.852 3.098 0.042 9 0 "[ . 1 . 2]" 1
754 1 66 ILE MD 1 89 PHE HZ 2.620 . 3.478 1.917 1.808 2.106 . 0 0 "[ . 1 . 2]" 1
755 1 66 ILE MG 1 67 GLU H 2.295 . 2.954 1.940 1.893 2.067 . 0 0 "[ . 1 . 2]" 1
756 1 66 ILE MG 1 67 GLU HA 2.684 . 3.584 3.075 3.009 3.170 . 0 0 "[ . 1 . 2]" 1
757 1 66 ILE MG 1 67 GLU QG 2.998 . 4.122 4.378 4.254 4.441 0.319 8 0 "[ . 1 . 2]" 1
758 1 66 ILE MG 1 68 MET H 2.899 . 3.950 3.474 3.234 3.859 . 0 0 "[ . 1 . 2]" 1
759 1 66 ILE MG 1 68 MET HA 2.709 . 3.627 3.523 3.321 3.698 0.071 6 0 "[ . 1 . 2]" 1
760 1 66 ILE MG 1 87 LEU QD 1.778 . 2.173 1.773 1.704 1.865 . 0 0 "[ . 1 . 2]" 1
761 1 66 ILE MG 1 89 PHE HZ 3.121 . 4.339 3.264 3.145 3.354 . 0 0 "[ . 1 . 2]" 1
762 1 67 GLU H 1 67 GLU HB2 3.393 . 4.832 2.852 2.688 3.013 . 0 0 "[ . 1 . 2]" 1
763 1 67 GLU H 1 67 GLU HB3 2.799 . 3.779 2.847 2.692 2.935 . 0 0 "[ . 1 . 2]" 1
764 1 67 GLU H 1 67 GLU HG2 3.436 . 4.912 4.651 4.573 4.736 . 0 0 "[ . 1 . 2]" 1
765 1 67 GLU H 1 68 MET H 3.082 . 4.269 4.301 4.122 4.434 0.165 6 0 "[ . 1 . 2]" 1
766 1 67 GLU H 1 87 LEU QD 3.311 . 4.681 3.982 3.854 4.151 . 0 0 "[ . 1 . 2]" 1
767 1 67 GLU HA 1 67 GLU QG 3.170 . 4.426 2.150 2.039 2.365 . 0 0 "[ . 1 . 2]" 1
768 1 67 GLU HA 1 68 MET H 2.526 . 3.324 2.248 2.153 2.379 . 0 0 "[ . 1 . 2]" 1
769 1 67 GLU HA 1 86 ARG H 3.523 . 5.074 4.891 4.756 5.043 . 0 0 "[ . 1 . 2]" 1
770 1 67 GLU HA 1 86 ARG HB2 2.851 . 3.867 4.024 3.922 4.158 0.291 19 0 "[ . 1 . 2]" 1
771 1 67 GLU HA 1 86 ARG HB3 3.666 . 5.346 4.913 4.193 5.212 . 0 0 "[ . 1 . 2]" 1
772 1 67 GLU HA 1 87 LEU H 3.065 . 4.239 2.254 1.880 2.475 0.011 6 0 "[ . 1 . 2]" 1
773 1 67 GLU HA 1 87 LEU QD 3.094 . 4.291 4.009 3.858 4.113 . 0 0 "[ . 1 . 2]" 1
774 1 67 GLU HA 1 100 MET QG 3.545 . 5.116 4.861 4.366 5.187 0.071 10 0 "[ . 1 . 2]" 1
775 1 67 GLU HB2 1 67 GLU QG 1.925 . 2.388 2.428 2.350 2.509 0.121 3 0 "[ . 1 . 2]" 1
776 1 67 GLU HB3 1 67 GLU QG 3.683 . 5.379 2.235 2.126 2.322 . 0 0 "[ . 1 . 2]" 1
777 1 67 GLU HG2 1 87 LEU MD1 3.452 . 4.942 5.309 5.190 5.729 0.787 6 1 "[ .+ 1 . 2]" 1
778 1 67 GLU HG2 1 100 MET HG2 2.777 . 3.741 3.230 2.589 3.830 0.089 2 0 "[ . 1 . 2]" 1
779 1 67 GLU QG 1 84 ARG HD2 3.579 . 5.180 4.189 3.677 4.725 . 0 0 "[ . 1 . 2]" 1
780 1 67 GLU QG 1 68 MET H 3.359 . 4.769 2.713 2.075 3.052 . 0 0 "[ . 1 . 2]" 1
781 1 67 GLU QG 1 84 ARG QB 2.246 . 2.877 3.005 2.785 3.185 0.308 17 0 "[ . 1 . 2]" 1
782 1 68 MET H 1 68 MET QB 3.040 . 4.195 2.681 2.312 3.053 . 0 0 "[ . 1 . 2]" 1
783 1 68 MET H 1 68 MET HG2 3.292 . 4.647 4.092 3.436 4.635 . 0 0 "[ . 1 . 2]" 1
784 1 68 MET H 1 68 MET QG 3.182 . 4.448 3.269 2.084 4.273 . 0 0 "[ . 1 . 2]" 1
785 1 68 MET H 1 69 ILE H 3.354 . 4.760 4.277 4.152 4.387 . 0 0 "[ . 1 . 2]" 1
786 1 68 MET H 1 69 ILE HA 3.453 . 4.943 4.938 4.700 5.108 0.165 8 0 "[ . 1 . 2]" 1
787 1 68 MET H 1 85 ALA HA 3.558 . 5.140 4.901 4.784 5.085 . 0 0 "[ . 1 . 2]" 1
788 1 68 MET H 1 85 ALA MB 2.914 . 3.975 3.595 3.449 3.747 . 0 0 "[ . 1 . 2]" 1
789 1 68 MET H 1 87 LEU QD 3.217 . 4.511 3.813 3.558 4.287 . 0 0 "[ . 1 . 2]" 1
790 1 68 MET H 1 87 LEU HG 3.690 . 5.392 5.430 4.557 5.587 0.195 10 0 "[ . 1 . 2]" 1
791 1 68 MET HA 1 68 MET QB 3.242 . 4.556 2.225 2.163 2.344 . 0 0 "[ . 1 . 2]" 1
792 1 68 MET HA 1 68 MET QG 3.412 . 4.867 3.057 2.490 3.492 . 0 0 "[ . 1 . 2]" 1
793 1 68 MET HA 1 69 ILE H 2.458 . 3.214 2.146 2.096 2.193 . 0 0 "[ . 1 . 2]" 1
794 1 68 MET HA 1 69 ILE MD 3.054 . 4.220 4.561 4.404 4.647 0.427 13 0 "[ . 1 . 2]" 1
795 1 68 MET HA 1 84 ARG QB 3.452 . 4.941 4.695 4.603 4.909 . 0 0 "[ . 1 . 2]" 1
796 1 68 MET HA 1 87 LEU QD 3.023 . 4.165 4.191 4.144 4.263 0.098 18 0 "[ . 1 . 2]" 1
797 1 68 MET QB 1 69 ILE H 3.329 . 4.715 3.558 3.245 3.854 . 0 0 "[ . 1 . 2]" 1
798 1 68 MET QB 1 87 LEU QD 3.473 . 4.980 2.265 2.108 2.436 . 0 0 "[ . 1 . 2]" 1
799 1 68 MET QB 1 87 LEU HG 3.233 . 4.540 4.454 2.818 4.709 0.169 4 0 "[ . 1 . 2]" 1
800 1 68 MET QG 1 85 ALA H 3.628 . 5.273 4.120 3.265 5.284 0.011 19 0 "[ . 1 . 2]" 1
801 1 68 MET QG 1 87 LEU QD 2.963 . 4.061 2.864 2.038 3.970 . 0 0 "[ . 1 . 2]" 1
802 1 69 ILE H 1 69 ILE HA 2.849 . 3.864 2.794 2.757 2.847 . 0 0 "[ . 1 . 2]" 1
803 1 69 ILE H 1 69 ILE HB 2.478 . 3.246 2.991 2.897 3.064 . 0 0 "[ . 1 . 2]" 1
804 1 69 ILE H 1 69 ILE MD 2.429 . 3.166 3.192 2.945 3.271 0.105 13 0 "[ . 1 . 2]" 1
805 1 69 ILE H 1 69 ILE MG 2.732 . 3.665 3.680 3.660 3.698 0.033 11 0 "[ . 1 . 2]" 1
806 1 69 ILE H 1 84 ARG QB 2.894 . 3.941 3.729 3.641 4.154 0.213 19 0 "[ . 1 . 2]" 1
807 1 69 ILE HA 1 69 ILE MD 2.387 . 3.099 2.891 2.741 3.006 . 0 0 "[ . 1 . 2]" 1
808 1 69 ILE HA 1 69 ILE MG 2.389 . 3.102 2.180 2.107 2.216 . 0 0 "[ . 1 . 2]" 1
809 1 69 ILE HA 1 70 ARG H 2.928 . 4.000 2.156 2.094 2.217 . 0 0 "[ . 1 . 2]" 1
810 1 69 ILE HA 1 83 VAL H 3.621 . 5.260 4.956 4.647 5.331 0.071 10 0 "[ . 1 . 2]" 1
811 1 69 ILE HA 1 83 VAL MG1 3.388 . 4.823 4.460 4.335 4.613 . 0 0 "[ . 1 . 2]" 1
812 1 69 ILE HA 1 84 ARG QB 3.385 . 4.818 2.191 2.037 2.725 . 0 0 "[ . 1 . 2]" 1
813 1 69 ILE HA 1 84 ARG QD 3.306 . 4.672 4.644 4.538 4.888 0.216 19 0 "[ . 1 . 2]" 1
814 1 69 ILE HA 1 84 ARG HG2 3.370 . 4.790 4.457 3.892 4.646 . 0 0 "[ . 1 . 2]" 1
815 1 69 ILE HA 1 84 ARG HG3 3.383 . 4.813 4.377 4.053 4.537 . 0 0 "[ . 1 . 2]" 1
816 1 69 ILE HA 1 85 ALA H 2.987 . 4.102 2.682 2.560 2.866 . 0 0 "[ . 1 . 2]" 1
817 1 69 ILE HB 1 69 ILE MD 2.712 . 3.631 3.130 3.090 3.187 . 0 0 "[ . 1 . 2]" 1
818 1 69 ILE HB 1 69 ILE MG 2.160 . 2.743 2.138 2.133 2.144 . 0 0 "[ . 1 . 2]" 1
819 1 69 ILE HB 1 70 ARG H 2.921 . 3.988 3.765 3.494 4.055 0.067 19 0 "[ . 1 . 2]" 1
820 1 69 ILE MD 1 69 ILE MG 1.925 . 2.388 1.804 1.730 1.858 . 0 0 "[ . 1 . 2]" 1
821 1 69 ILE MD 1 70 ARG H 3.139 . 4.370 4.505 4.445 4.590 0.220 15 0 "[ . 1 . 2]" 1
822 1 69 ILE MD 1 82 GLN QB 3.396 . 4.838 4.066 3.763 5.013 0.175 7 0 "[ . 1 . 2]" 1
823 1 69 ILE MD 1 82 GLN QG 3.140 . 4.372 3.900 2.832 4.576 0.204 15 0 "[ . 1 . 2]" 1
824 1 69 ILE MD 1 84 ARG H 3.552 . 5.130 4.674 4.513 4.773 . 0 0 "[ . 1 . 2]" 1
825 1 69 ILE MD 1 84 ARG HA 2.750 . 3.695 3.641 3.265 3.725 0.030 13 0 "[ . 1 . 2]" 1
826 1 69 ILE MD 1 84 ARG QB . . 2.766 1.865 1.755 2.772 0.115 14 0 "[ . 1 . 2]" 1
827 1 69 ILE MD 1 84 ARG HG2 2.397 . 3.115 2.834 2.226 2.988 . 0 0 "[ . 1 . 2]" 1
828 1 69 ILE MD 1 84 ARG HG3 2.708 . 3.625 3.660 3.211 3.729 0.104 4 0 "[ . 1 . 2]" 1
829 1 69 ILE MG 1 70 ARG H 2.740 . 3.679 2.509 2.225 2.856 . 0 0 "[ . 1 . 2]" 1
830 1 69 ILE MG 1 82 GLN HA 2.753 . 3.700 3.779 3.467 3.948 0.248 15 0 "[ . 1 . 2]" 1
831 1 69 ILE MG 1 82 GLN HB2 3.393 . 4.832 2.744 2.103 4.825 . 0 0 "[ . 1 . 2]" 1
832 1 69 ILE MG 1 82 GLN QG 2.546 . 3.356 2.962 1.998 3.515 0.159 9 0 "[ . 1 . 2]" 1
833 1 69 ILE MG 1 83 VAL H 2.712 . 3.632 2.769 2.502 3.215 . 0 0 "[ . 1 . 2]" 1
834 1 69 ILE MG 1 83 VAL HB 2.943 . 4.025 4.198 4.146 4.262 0.237 15 0 "[ . 1 . 2]" 1
835 1 69 ILE MG 1 83 VAL QG 2.673 . 3.566 3.796 3.715 3.862 0.296 19 0 "[ . 1 . 2]" 1
836 1 69 ILE MG 1 84 ARG H 2.937 . 4.015 3.680 3.488 3.790 . 0 0 "[ . 1 . 2]" 1
837 1 69 ILE MG 1 84 ARG HA 2.567 . 3.391 2.670 2.610 2.766 . 0 0 "[ . 1 . 2]" 1
838 1 69 ILE MG 1 84 ARG QB 3.172 . 4.430 1.898 1.773 3.382 0.141 13 0 "[ . 1 . 2]" 1
839 1 69 ILE MG 1 84 ARG HG2 2.569 . 3.394 3.493 3.202 3.599 0.205 12 0 "[ . 1 . 2]" 1
840 1 69 ILE MG 1 84 ARG HG3 2.538 . 3.343 3.399 3.131 3.470 0.127 11 0 "[ . 1 . 2]" 1
841 1 69 ILE MG 1 85 ALA H 2.928 . 4.000 4.216 4.153 4.329 0.329 3 0 "[ . 1 . 2]" 1
842 1 70 ARG H 1 83 VAL H 2.972 . 4.076 3.900 3.708 4.128 0.052 7 0 "[ . 1 . 2]" 1
843 1 70 ARG H 1 83 VAL HB 3.001 . 4.127 3.809 3.635 4.135 0.008 10 0 "[ . 1 . 2]" 1
844 1 70 ARG H 1 83 VAL MG1 2.545 . 3.354 3.516 3.446 3.615 0.261 15 0 "[ . 1 . 2]" 1
845 1 70 ARG H 1 84 ARG HA 3.272 . 4.610 2.025 1.849 2.457 0.085 1 0 "[ . 1 . 2]" 1
846 1 70 ARG H 1 84 ARG QB 3.349 . 4.751 3.599 3.446 3.926 . 0 0 "[ . 1 . 2]" 1
847 1 70 ARG HB2 1 83 VAL MG1 3.082 . 4.270 3.421 2.927 3.902 . 0 0 "[ . 1 . 2]" 1
848 1 70 ARG HB3 1 83 VAL H 3.650 . 5.316 4.202 3.358 5.437 0.121 14 0 "[ . 1 . 2]" 1
849 1 70 ARG HB3 1 83 VAL HB 2.533 . 3.335 2.936 2.157 4.306 0.971 14 2 "[ . 1 +.- 2]" 1
850 1 72 PRO HA 1 72 PRO HB2 2.454 . 3.207 2.810 2.681 2.944 . 0 0 "[ . 1 . 2]" 1
851 1 72 PRO HA 1 72 PRO HB3 2.501 . 3.283 2.253 2.228 2.276 . 0 0 "[ . 1 . 2]" 1
852 1 72 PRO HA 1 73 PHE H 2.215 . 2.828 2.336 2.214 2.484 . 0 0 "[ . 1 . 2]" 1
853 1 72 PRO HA 1 73 PHE HB3 3.469 . 4.973 4.718 3.843 5.563 0.590 14 3 "[ . * 1 -+. 2]" 1
854 1 72 PRO HA 1 73 PHE QD 3.681 . 5.374 4.877 3.662 5.648 0.274 17 0 "[ . 1 . 2]" 1
855 1 72 PRO HA 1 81 GLY QA 3.390 . 4.826 4.332 3.083 4.762 . 0 0 "[ . 1 . 2]" 1
856 1 72 PRO HB2 1 73 PHE H 2.320 . 2.993 2.761 2.223 3.124 0.131 5 0 "[ . 1 . 2]" 1
857 1 72 PRO HB2 1 81 GLY QA 2.937 . 4.015 3.828 2.778 3.988 . 0 0 "[ . 1 . 2]" 1
858 1 72 PRO HB3 1 73 PHE H 2.393 . 3.109 3.151 2.819 3.291 0.182 11 0 "[ . 1 . 2]" 1
859 1 72 PRO HB3 1 81 GLY QA 3.354 . 3.979 3.414 2.862 3.828 . 0 0 "[ . 1 . 2]" 1
860 1 72 PRO HB3 1 82 GLN QB 2.855 . 3.874 3.292 1.756 3.909 0.080 15 0 "[ . 1 . 2]" 1
861 1 72 PRO HB3 1 83 VAL H 3.529 . 5.086 4.327 2.832 5.358 0.272 15 0 "[ . 1 . 2]" 1
862 1 73 PHE H 1 73 PHE HA 2.443 . 3.189 2.890 2.773 2.943 . 0 0 "[ . 1 . 2]" 1
863 1 73 PHE H 1 73 PHE HB3 2.400 . 3.120 2.884 2.024 3.467 0.347 8 0 "[ . 1 . 2]" 1
864 1 73 PHE H 1 73 PHE QD 2.644 . 3.518 3.576 2.927 3.825 0.307 2 0 "[ . 1 . 2]" 1
865 1 73 PHE HA 1 73 PHE QB 2.488 . 3.262 2.335 2.156 2.522 . 0 0 "[ . 1 . 2]" 1
866 1 73 PHE HA 1 73 PHE QD 2.244 . 2.873 2.939 2.248 3.707 0.834 19 4 "[ . 1-* * +2]" 1
867 1 73 PHE HA 1 74 ASP H 2.205 . 2.813 2.123 1.994 2.298 . 0 0 "[ . 1 . 2]" 1
868 1 73 PHE HA 1 74 ASP QB 2.987 . 4.102 4.152 4.077 4.244 0.142 16 0 "[ . 1 . 2]" 1
869 1 73 PHE QB 1 73 PHE QD 2.381 . 3.089 2.098 2.081 2.117 . 0 0 "[ . 1 . 2]" 1
870 1 73 PHE QB 1 74 ASP HA 3.335 . 4.726 4.417 3.881 4.933 0.207 1 0 "[ . 1 . 2]" 1
871 1 73 PHE QD 1 74 ASP H 2.667 . 3.556 3.255 2.636 3.601 0.045 15 0 "[ . 1 . 2]" 1
872 1 73 PHE QD 1 74 ASP HA 3.252 . 4.574 4.320 3.288 4.811 0.237 13 0 "[ . 1 . 2]" 1
873 1 73 PHE QD 1 80 GLU QG 2.630 . 3.494 3.084 1.888 3.711 0.217 16 0 "[ . 1 . 2]" 1
874 1 74 ASP H 1 74 ASP HA 2.350 . 3.040 2.938 2.914 2.951 . 0 0 "[ . 1 . 2]" 1
875 1 74 ASP H 1 74 ASP QB 2.417 . 3.147 2.511 2.401 2.994 . 0 0 "[ . 1 . 2]" 1
876 1 74 ASP HA 1 74 ASP QB 2.297 . 2.957 2.392 2.157 2.436 . 0 0 "[ . 1 . 2]" 1
877 1 74 ASP HA 1 75 PHE H 1.920 . 2.381 2.129 2.079 2.165 . 0 0 "[ . 1 . 2]" 1
878 1 74 ASP HA 1 75 PHE HA 3.583 . 5.188 4.359 4.302 4.385 . 0 0 "[ . 1 . 2]" 1
879 1 74 ASP HA 1 75 PHE HB2 3.144 . 4.380 4.355 4.193 4.494 0.114 20 0 "[ . 1 . 2]" 1
880 1 74 ASP HA 1 79 LYS HB3 2.910 . 3.969 3.625 3.190 4.010 0.041 12 0 "[ . 1 . 2]" 1
881 1 74 ASP HA 1 79 LYS QD 3.051 . 4.214 3.030 2.440 3.573 . 0 0 "[ . 1 . 2]" 1
882 1 74 ASP HA 1 79 LYS QE 2.553 . 3.368 3.233 2.902 3.543 0.175 12 0 "[ . 1 . 2]" 1
883 1 74 ASP HA 1 79 LYS HG3 3.270 . 4.607 3.980 3.686 4.427 . 0 0 "[ . 1 . 2]" 1
884 1 74 ASP HA 1 80 GLU H 2.826 . 3.824 3.205 3.042 3.493 . 0 0 "[ . 1 . 2]" 1
885 1 74 ASP HA 1 80 GLU HA 3.922 . 5.845 5.999 5.845 6.116 0.271 10 0 "[ . 1 . 2]" 1
886 1 74 ASP QB 1 75 PHE H 2.466 . 3.226 3.168 3.030 3.284 0.058 14 0 "[ . 1 . 2]" 1
887 1 74 ASP QB 1 75 PHE HA 2.934 . 4.010 3.982 3.847 4.224 0.214 16 0 "[ . 1 . 2]" 1
888 1 74 ASP QB 1 79 LYS QD 2.965 . 4.064 2.667 2.417 2.912 . 0 0 "[ . 1 . 2]" 1
889 1 74 ASP QB 1 79 LYS HE2 2.702 . 3.615 1.882 1.767 1.992 0.022 12 0 "[ . 1 . 2]" 1
890 1 74 ASP QB 1 79 LYS QE 2.719 . 3.643 1.875 1.761 1.982 0.034 1 0 "[ . 1 . 2]" 1
891 1 74 ASP QB 1 79 LYS HG2 3.143 . 4.197 2.999 2.789 3.186 . 0 0 "[ . 1 . 2]" 1
892 1 74 ASP QB 1 79 LYS HG3 3.466 . 4.967 4.147 3.979 4.292 . 0 0 "[ . 1 . 2]" 1
893 1 75 PHE H 1 75 PHE HA 2.422 . 3.155 2.892 2.876 2.901 . 0 0 "[ . 1 . 2]" 1
894 1 75 PHE H 1 75 PHE HB2 2.332 . 3.012 2.484 2.458 2.520 . 0 0 "[ . 1 . 2]" 1
895 1 75 PHE H 1 75 PHE HB3 2.749 . 3.694 3.602 3.468 3.671 . 0 0 "[ . 1 . 2]" 1
896 1 75 PHE H 1 76 PRO HD2 3.357 . 4.765 4.882 4.833 4.915 0.150 7 0 "[ . 1 . 2]" 1
897 1 75 PHE H 1 76 PRO HD3 3.145 . 4.382 4.617 4.595 4.635 0.253 19 0 "[ . 1 . 2]" 1
898 1 75 PHE H 1 78 SER H 2.997 . 4.120 3.887 3.757 4.040 . 0 0 "[ . 1 . 2]" 1
899 1 75 PHE H 1 79 LYS HA 2.638 . 3.508 2.500 2.271 2.638 . 0 0 "[ . 1 . 2]" 1
900 1 75 PHE H 1 79 LYS QB 3.448 . 4.934 3.843 3.596 3.957 . 0 0 "[ . 1 . 2]" 1
901 1 75 PHE H 1 79 LYS QD 2.749 . 3.694 3.709 3.442 3.837 0.143 5 0 "[ . 1 . 2]" 1
902 1 75 PHE H 1 79 LYS QE 3.217 . 4.511 2.950 2.754 3.092 . 0 0 "[ . 1 . 2]" 1
903 1 75 PHE H 1 79 LYS HG3 3.009 . 4.141 3.060 2.864 3.303 . 0 0 "[ . 1 . 2]" 1
904 1 75 PHE HA 1 75 PHE HB2 2.658 . 3.541 2.972 2.910 3.001 . 0 0 "[ . 1 . 2]" 1
905 1 75 PHE HA 1 75 PHE HB3 2.458 . 3.213 2.601 2.491 2.744 . 0 0 "[ . 1 . 2]" 1
906 1 75 PHE HA 1 75 PHE QD 2.409 . 3.135 2.385 1.708 2.841 . 0 0 "[ . 1 . 2]" 1
907 1 75 PHE HA 1 76 PRO HA 2.912 . 3.972 4.192 4.131 4.262 0.290 16 0 "[ . 1 . 2]" 1
908 1 75 PHE HA 1 76 PRO HD2 2.325 . 3.001 3.021 2.992 3.065 0.064 19 0 "[ . 1 . 2]" 1
909 1 75 PHE HA 1 76 PRO HD3 2.347 . 3.036 1.987 1.957 2.020 . 0 0 "[ . 1 . 2]" 1
910 1 75 PHE HA 1 76 PRO QG 2.675 . 3.570 3.824 3.792 3.858 0.288 5 0 "[ . 1 . 2]" 1
911 1 75 PHE HA 1 77 ASP H 3.031 . 4.179 4.256 4.176 4.303 0.124 20 0 "[ . 1 . 2]" 1
912 1 75 PHE HA 1 78 SER H 2.976 . 4.083 4.366 4.333 4.398 0.315 4 0 "[ . 1 . 2]" 1
913 1 75 PHE HA 1 79 LYS QE 2.803 . 3.785 3.952 3.801 4.164 0.379 20 0 "[ . 1 . 2]" 1
914 1 75 PHE HA 1 79 LYS HG2 3.676 . 5.365 4.374 4.289 4.450 . 0 0 "[ . 1 . 2]" 1
915 1 75 PHE HB2 1 75 PHE QD 2.411 . 3.138 2.415 2.270 2.756 . 0 0 "[ . 1 . 2]" 1
916 1 75 PHE HB2 1 76 PRO HD2 2.835 . 3.840 3.442 3.324 3.515 . 0 0 "[ . 1 . 2]" 1
917 1 75 PHE HB2 1 76 PRO HD3 2.780 . 3.746 3.936 3.871 3.974 0.228 6 0 "[ . 1 . 2]" 1
918 1 75 PHE HB2 1 76 PRO QG 3.559 . 5.142 5.141 5.032 5.219 0.077 10 0 "[ . 1 . 2]" 1
919 1 75 PHE HB2 1 77 ASP H 3.260 . 4.588 3.807 3.516 4.023 . 0 0 "[ . 1 . 2]" 1
920 1 75 PHE HB2 1 78 SER H 2.492 . 3.268 2.950 2.525 3.326 0.058 10 0 "[ . 1 . 2]" 1
921 1 75 PHE HB2 1 78 SER QB 2.611 . 3.463 2.606 2.298 3.408 . 0 0 "[ . 1 . 2]" 1
922 1 75 PHE HB3 1 75 PHE QD 2.515 . 3.305 2.537 2.406 2.765 . 0 0 "[ . 1 . 2]" 1
923 1 75 PHE HB3 1 76 PRO HA 3.121 . 4.339 4.531 4.457 4.638 0.299 19 0 "[ . 1 . 2]" 1
924 1 75 PHE HB3 1 76 PRO HD2 2.736 . 3.672 1.760 1.713 1.883 0.087 13 0 "[ . 1 . 2]" 1
925 1 75 PHE HB3 1 76 PRO HD3 2.774 . 3.736 2.625 2.454 2.843 . 0 0 "[ . 1 . 2]" 1
926 1 75 PHE HB3 1 76 PRO QG 3.325 . 4.707 3.704 3.656 3.802 . 0 0 "[ . 1 . 2]" 1
927 1 75 PHE HB3 1 77 ASP H 2.602 . 3.449 2.545 2.378 2.755 . 0 0 "[ . 1 . 2]" 1
928 1 75 PHE HB3 1 78 SER H 2.603 . 3.450 2.816 2.533 3.117 . 0 0 "[ . 1 . 2]" 1
929 1 75 PHE HB3 1 78 SER QB 3.093 . 4.289 3.080 2.834 4.089 . 0 0 "[ . 1 . 2]" 1
930 1 75 PHE QD 1 76 PRO HD2 2.869 . 3.898 2.893 2.422 3.707 . 0 0 "[ . 1 . 2]" 1
931 1 75 PHE QD 1 76 PRO HD3 2.958 . 4.052 2.564 2.033 3.368 . 0 0 "[ . 1 . 2]" 1
932 1 75 PHE QD 1 76 PRO QG 3.275 . 4.615 3.934 3.520 4.532 . 0 0 "[ . 1 . 2]" 1
933 1 75 PHE QD 1 77 ASP QB 3.548 . 5.122 4.799 3.575 5.229 0.107 19 0 "[ . 1 . 2]" 1
934 1 75 PHE QD 1 78 SER QB 2.609 . 3.460 3.265 2.576 3.556 0.096 19 0 "[ . 1 . 2]" 1
935 1 76 PRO HA 1 76 PRO HB2 2.107 . 2.662 2.794 2.778 2.819 0.157 16 0 "[ . 1 . 2]" 1
936 1 76 PRO HA 1 76 PRO HB3 2.049 . 2.574 2.240 2.231 2.252 . 0 0 "[ . 1 . 2]" 1
937 1 76 PRO HA 1 76 PRO HD2 2.806 . 3.790 3.882 3.865 3.898 0.108 4 0 "[ . 1 . 2]" 1
938 1 76 PRO HA 1 76 PRO HD3 2.620 . 3.478 3.735 3.710 3.764 0.286 20 0 "[ . 1 . 2]" 1
939 1 76 PRO HA 1 76 PRO QG 2.506 . 3.291 3.341 3.292 3.360 0.069 20 0 "[ . 1 . 2]" 1
940 1 76 PRO HA 1 78 SER H 2.633 . 3.500 3.784 3.749 3.830 0.330 7 0 "[ . 1 . 2]" 1
941 1 76 PRO HA 1 79 LYS QE 3.528 . 5.084 3.578 3.329 4.012 . 0 0 "[ . 1 . 2]" 1
942 1 76 PRO HB2 1 76 PRO HD2 2.897 . 3.946 3.404 3.274 3.459 . 0 0 "[ . 1 . 2]" 1
943 1 76 PRO HB2 1 76 PRO HD3 2.834 . 3.838 3.997 3.971 4.006 0.168 20 0 "[ . 1 . 2]" 1
944 1 76 PRO HB2 1 77 ASP H 2.457 . 3.212 2.730 2.640 2.819 . 0 0 "[ . 1 . 2]" 1
945 1 76 PRO HB2 1 77 ASP HA 3.302 . 4.665 3.689 3.550 3.770 . 0 0 "[ . 1 . 2]" 1
946 1 76 PRO HB2 1 77 ASP HB2 3.039 . 4.193 3.521 3.371 4.904 0.711 16 1 "[ . 1 .+ 2]" 1
947 1 76 PRO HB2 1 78 SER H 3.373 . 4.795 4.469 4.363 4.515 . 0 0 "[ . 1 . 2]" 1
948 1 76 PRO HB3 1 76 PRO HD2 3.058 . 4.227 3.933 3.913 3.943 . 0 0 "[ . 1 . 2]" 1
949 1 76 PRO HB3 1 76 PRO HD3 2.896 . 3.944 3.731 3.688 3.822 . 0 0 "[ . 1 . 2]" 1
950 1 76 PRO HB3 1 77 ASP H 2.690 . 3.594 3.849 3.804 3.913 0.319 19 0 "[ . 1 . 2]" 1
951 1 76 PRO HB3 1 77 ASP QB 3.261 . 4.591 4.851 4.808 4.938 0.347 16 0 "[ . 1 . 2]" 1
952 1 76 PRO HD2 1 76 PRO HG2 2.416 . 3.146 2.215 2.208 2.231 . 0 0 "[ . 1 . 2]" 1
953 1 76 PRO HD2 1 77 ASP H 2.569 . 3.394 1.947 1.865 2.028 . 0 0 "[ . 1 . 2]" 1
954 1 76 PRO HD3 1 76 PRO QG 2.516 . 3.307 2.154 2.151 2.160 . 0 0 "[ . 1 . 2]" 1
955 1 76 PRO HD3 1 77 ASP H 3.163 . 4.413 3.388 3.320 3.438 . 0 0 "[ . 1 . 2]" 1
956 1 76 PRO HD3 1 78 SER H 3.675 . 5.363 4.503 4.441 4.548 . 0 0 "[ . 1 . 2]" 1
957 1 76 PRO QG 1 77 ASP HA 3.206 . 4.491 4.781 4.733 4.813 0.322 14 0 "[ . 1 . 2]" 1
958 1 76 PRO QG 1 78 SER H 3.568 . 5.159 4.640 4.587 4.671 . 0 0 "[ . 1 . 2]" 1
959 1 76 PRO HG2 1 77 ASP H 2.710 . 3.628 2.855 2.744 2.949 . 0 0 "[ . 1 . 2]" 1
960 1 76 PRO HG2 1 78 SER H 3.419 . 4.880 4.954 4.888 5.006 0.126 16 0 "[ . 1 . 2]" 1
961 1 77 ASP H 1 77 ASP QB 2.182 . 2.777 2.280 2.195 2.488 . 0 0 "[ . 1 . 2]" 1
962 1 77 ASP H 1 78 SER H 1.991 . 2.487 2.222 2.109 2.272 . 0 0 "[ . 1 . 2]" 1
963 1 77 ASP H 1 78 SER QB 2.690 . 3.595 3.706 3.600 3.888 0.293 19 0 "[ . 1 . 2]" 1
964 1 77 ASP HA 1 77 ASP QB 1.840 . 2.263 2.316 2.167 2.346 0.083 18 0 "[ . 1 . 2]" 1
965 1 77 ASP HA 1 78 SER H 2.229 . 2.850 3.143 3.080 3.186 0.336 16 0 "[ . 1 . 2]" 1
966 1 77 ASP HA 1 78 SER QB 3.136 . 4.365 4.579 4.339 4.642 0.277 5 0 "[ . 1 . 2]" 1
967 1 77 ASP QB 1 78 SER H 2.549 . 3.361 3.371 3.304 3.630 0.269 16 0 "[ . 1 . 2]" 1
968 1 77 ASP HB3 1 78 SER QB 2.774 . 3.736 3.430 3.200 4.480 0.744 16 1 "[ . 1 .+ 2]" 1
969 1 78 SER H 1 78 SER QB 2.270 . 2.914 2.724 2.678 2.999 0.085 19 0 "[ . 1 . 2]" 1
970 1 78 SER H 1 79 LYS QE 3.320 . 4.697 4.569 4.318 4.719 0.022 16 0 "[ . 1 . 2]" 1
971 1 78 SER H 1 79 LYS HG2 3.358 . 4.767 4.360 4.155 4.484 . 0 0 "[ . 1 . 2]" 1
972 1 78 SER H 1 79 LYS HG3 3.204 . 4.487 3.729 3.604 3.976 . 0 0 "[ . 1 . 2]" 1
973 1 78 SER QB 1 79 LYS H 2.272 . 2.917 2.987 2.621 3.110 0.193 5 0 "[ . 1 . 2]" 1
974 1 78 SER QB 1 79 LYS HA 3.667 . 5.348 3.884 3.678 4.477 . 0 0 "[ . 1 . 2]" 1
975 1 78 SER QB 1 79 LYS HG3 3.374 . 4.797 4.864 4.823 4.997 0.200 19 0 "[ . 1 . 2]" 1
976 1 78 SER QB 1 80 GLU QG 2.847 . 3.860 3.778 3.340 3.945 0.085 14 0 "[ . 1 . 2]" 1
977 1 79 LYS H 1 79 LYS HA 2.374 . 3.079 2.879 2.861 2.897 . 0 0 "[ . 1 . 2]" 1
978 1 79 LYS H 1 79 LYS HB2 2.249 . 2.881 2.835 2.788 2.882 0.001 13 0 "[ . 1 . 2]" 1
979 1 79 LYS H 1 79 LYS HG2 2.812 . 3.800 4.013 3.937 4.055 0.255 13 0 "[ . 1 . 2]" 1
980 1 79 LYS H 1 79 LYS HG3 2.732 . 3.665 3.663 3.436 3.761 0.096 14 0 "[ . 1 . 2]" 1
981 1 79 LYS H 1 80 GLU HG2 2.930 . 4.003 4.013 3.308 4.170 0.167 16 0 "[ . 1 . 2]" 1
982 1 79 LYS HA 1 79 LYS QB 2.291 . 2.947 2.408 2.379 2.422 . 0 0 "[ . 1 . 2]" 1
983 1 79 LYS HA 1 79 LYS QD 2.506 . 3.291 3.548 3.464 3.624 0.333 19 0 "[ . 1 . 2]" 1
984 1 79 LYS HA 1 79 LYS QE 3.244 . 4.560 4.134 4.064 4.182 . 0 0 "[ . 1 . 2]" 1
985 1 79 LYS HA 1 79 LYS HG2 2.331 . 3.010 2.032 2.014 2.056 . 0 0 "[ . 1 . 2]" 1
986 1 79 LYS HA 1 79 LYS HG3 2.348 . 3.037 3.078 2.966 3.155 0.118 16 0 "[ . 1 . 2]" 1
987 1 79 LYS HA 1 80 GLU H 1.986 . 2.479 2.170 2.052 2.235 . 0 0 "[ . 1 . 2]" 1
988 1 79 LYS HA 1 80 GLU HG2 3.133 . 4.360 3.030 2.910 3.540 . 0 0 "[ . 1 . 2]" 1
989 1 79 LYS HB2 1 79 LYS HD2 2.066 . 2.600 2.245 2.217 2.289 . 0 0 "[ . 1 . 2]" 1
990 1 79 LYS QB 1 79 LYS HE2 2.759 . 3.710 3.640 3.621 3.668 . 0 0 "[ . 1 . 2]" 1
991 1 79 LYS QB 1 79 LYS HG2 2.080 . 2.621 2.437 2.394 2.460 . 0 0 "[ . 1 . 2]" 1
992 1 79 LYS QB 1 79 LYS HG3 2.075 . 2.613 2.219 2.191 2.254 . 0 0 "[ . 1 . 2]" 1
993 1 79 LYS QB 1 80 GLU HA 2.910 . 3.968 4.033 3.928 4.187 0.219 19 0 "[ . 1 . 2]" 1
994 1 79 LYS HB3 1 80 GLU H 2.728 . 3.658 2.844 2.606 3.262 . 0 0 "[ . 1 . 2]" 1
995 1 79 LYS QD 1 79 LYS QE 1.597 . 1.916 2.071 2.067 2.078 0.162 20 0 "[ . 1 . 2]" 1
996 1 79 LYS QE 1 79 LYS HG2 1.788 . 2.188 2.310 2.245 2.365 0.177 10 0 "[ . 1 . 2]" 1
997 1 79 LYS QE 1 79 LYS HG3 1.749 . 2.131 2.294 2.243 2.338 0.207 16 0 "[ . 1 . 2]" 1
998 1 79 LYS HG2 1 80 GLU H 2.686 . 3.588 3.657 3.597 3.776 0.188 19 0 "[ . 1 . 2]" 1
999 1 79 LYS HG2 1 80 GLU QG 3.246 . 4.563 4.755 4.619 4.888 0.325 19 0 "[ . 1 . 2]" 1
1000 1 80 GLU H 1 80 GLU QB 2.622 . 3.481 3.304 3.015 3.369 . 0 0 "[ . 1 . 2]" 1
1001 1 80 GLU H 1 80 GLU QG 2.238 . 2.864 2.475 2.189 2.658 . 0 0 "[ . 1 . 2]" 1
1002 1 80 GLU HA 1 80 GLU QB 2.580 . 3.412 2.174 2.159 2.188 . 0 0 "[ . 1 . 2]" 1
1003 1 80 GLU HA 1 81 GLY H 2.084 . 2.627 2.791 2.672 3.388 0.761 3 1 "[ + . 1 . 2]" 1
1004 1 80 GLU HA 1 81 GLY QA 3.632 . 5.281 4.033 3.843 4.255 . 0 0 "[ . 1 . 2]" 1
1005 1 80 GLU QB 1 80 GLU HG2 2.107 . 2.662 2.266 2.233 2.300 . 0 0 "[ . 1 . 2]" 1
1006 1 80 GLU QB 1 81 GLY H 2.392 . 3.107 1.776 1.639 2.959 0.038 18 0 "[ . 1 . 2]" 1
1007 1 80 GLU QB 1 81 GLY QA 3.456 . 4.949 3.605 3.415 4.056 . 0 0 "[ . 1 . 2]" 1
1008 1 80 GLU HB2 1 81 GLY H 2.326 . 3.002 1.785 1.644 3.027 0.025 3 0 "[ . 1 . 2]" 1
1009 1 80 GLU HG3 1 81 GLY H 2.346 . 3.034 3.173 3.062 3.256 0.222 14 0 "[ . 1 . 2]" 1
1010 1 81 GLY H 1 81 GLY QA 2.405 . 3.128 2.262 2.194 2.351 . 0 0 "[ . 1 . 2]" 1
1011 1 81 GLY QA 1 82 GLN H 2.680 . 3.247 2.215 2.076 2.900 . 0 0 "[ . 1 . 2]" 1
1012 1 81 GLY QA 1 82 GLN HA 3.419 . 4.880 3.901 3.779 4.051 . 0 0 "[ . 1 . 2]" 1
1013 1 81 GLY QA 1 82 GLN QB 3.978 . 5.956 3.977 3.377 4.563 . 0 0 "[ . 1 . 2]" 1
1014 1 82 GLN H 1 82 GLN HA 2.547 . 3.358 2.889 2.817 2.925 . 0 0 "[ . 1 . 2]" 1
1015 1 82 GLN H 1 82 GLN HB3 2.216 . 2.830 2.780 2.517 3.518 0.688 4 1 "[ +. 1 . 2]" 1
1016 1 82 GLN H 1 82 GLN QG 2.196 . 2.799 2.893 1.974 4.218 1.419 15 3 "[ . - * + 2]" 1
1017 1 82 GLN HA 1 82 GLN QB 2.368 . 3.069 2.207 2.156 2.453 . 0 0 "[ . 1 . 2]" 1
1018 1 82 GLN HA 1 82 GLN QG 2.629 . 3.493 3.218 1.982 3.420 . 0 0 "[ . 1 . 2]" 1
1019 1 82 GLN HA 1 83 VAL H 2.270 . 2.914 2.209 1.941 2.555 . 0 0 "[ . 1 . 2]" 1
1020 1 82 GLN HB2 1 82 GLN HG2 2.369 . 3.071 2.136 2.041 2.348 . 0 0 "[ . 1 . 2]" 1
1021 1 82 GLN HB2 1 83 VAL H 3.091 . 4.285 3.016 2.520 4.398 0.113 4 0 "[ . 1 . 2]" 1
1022 1 82 GLN HG2 1 83 VAL MG1 3.005 . 4.133 4.218 3.936 4.950 0.817 4 1 "[ +. 1 . 2]" 1
1023 1 82 GLN QG 1 83 VAL H 2.713 . 3.633 3.357 1.772 3.671 0.038 12 0 "[ . 1 . 2]" 1
1024 1 83 VAL H 1 83 VAL HA 2.842 . 3.852 2.931 2.900 2.947 . 0 0 "[ . 1 . 2]" 1
1025 1 83 VAL H 1 83 VAL HB 2.396 . 3.114 2.618 2.245 2.788 . 0 0 "[ . 1 . 2]" 1
1026 1 83 VAL H 1 83 VAL MG2 2.210 . 2.820 2.928 2.685 3.009 0.189 1 0 "[ . 1 . 2]" 1
1027 1 83 VAL H 1 84 ARG H 3.062 . 4.234 4.320 4.268 4.444 0.210 15 0 "[ . 1 . 2]" 1
1028 1 83 VAL HA 1 83 VAL HB 2.485 . 3.257 3.007 2.985 3.020 . 0 0 "[ . 1 . 2]" 1
1029 1 83 VAL HA 1 83 VAL QG 1.969 . 2.454 2.140 2.106 2.159 . 0 0 "[ . 1 . 2]" 1
1030 1 83 VAL HA 1 84 ARG H 2.163 . 2.748 2.225 2.145 2.294 . 0 0 "[ . 1 . 2]" 1
1031 1 83 VAL HA 1 84 ARG HA 3.386 . 4.819 4.310 4.251 4.341 . 0 0 "[ . 1 . 2]" 1
1032 1 83 VAL HA 1 84 ARG QB 3.209 . 4.496 4.378 4.191 4.712 0.216 19 0 "[ . 1 . 2]" 1
1033 1 83 VAL HA 1 84 ARG HG3 3.145 . 4.381 3.321 3.112 3.461 . 0 0 "[ . 1 . 2]" 1
1034 1 83 VAL HA 1 101 GLU HG2 3.129 . 4.353 4.457 4.329 4.550 0.197 18 0 "[ . 1 . 2]" 1
1035 1 83 VAL HA 1 101 GLU HG3 3.188 . 4.458 3.931 3.764 4.215 . 0 0 "[ . 1 . 2]" 1
1036 1 83 VAL HB 1 83 VAL QG 1.805 . 2.212 1.891 1.883 1.897 . 0 0 "[ . 1 . 2]" 1
1037 1 83 VAL HB 1 84 ARG H 2.781 . 3.748 3.857 3.808 3.943 0.195 10 0 "[ . 1 . 2]" 1
1038 1 83 VAL QG 1 101 GLU HA 3.361 . 4.773 4.762 4.635 4.866 0.093 20 0 "[ . 1 . 2]" 1
1039 1 83 VAL QG 1 101 GLU HB3 3.479 . 4.992 3.786 3.606 3.982 . 0 0 "[ . 1 . 2]" 1
1040 1 83 VAL MG1 1 84 ARG H 2.089 . 2.634 1.900 1.810 2.057 . 0 0 "[ . 1 . 2]" 1
1041 1 83 VAL MG1 1 84 ARG HA 2.942 . 4.024 3.071 3.006 3.323 . 0 0 "[ . 1 . 2]" 1
1042 1 83 VAL MG1 1 84 ARG QB 3.263 . 4.012 3.966 3.743 4.015 0.003 10 0 "[ . 1 . 2]" 1
1043 1 83 VAL MG1 1 84 ARG QD 2.776 . 3.739 3.687 3.393 3.881 0.142 19 0 "[ . 1 . 2]" 1
1044 1 83 VAL MG1 1 84 ARG HG3 2.573 . 3.401 3.620 3.573 3.670 0.269 3 0 "[ . 1 . 2]" 1
1045 1 83 VAL MG1 1 85 ALA HA 3.159 . 4.406 4.151 3.999 4.297 . 0 0 "[ . 1 . 2]" 1
1046 1 83 VAL MG1 1 99 ASN HA 2.731 . 3.664 3.188 2.928 3.387 . 0 0 "[ . 1 . 2]" 1
1047 1 83 VAL MG1 1 99 ASN HB2 3.356 . 4.764 3.842 2.784 4.173 . 0 0 "[ . 1 . 2]" 1
1048 1 83 VAL MG1 1 100 MET QG 3.382 . 4.811 5.027 4.923 5.130 0.319 7 0 "[ . 1 . 2]" 1
1049 1 83 VAL MG1 1 101 GLU H 3.221 . 4.518 3.408 3.245 3.539 . 0 0 "[ . 1 . 2]" 1
1050 1 83 VAL MG1 1 101 GLU HG2 2.453 . 3.205 3.088 2.895 3.172 . 0 0 "[ . 1 . 2]" 1
1051 1 83 VAL MG1 1 101 GLU HG3 2.518 . 3.311 1.815 1.735 1.905 . 0 0 "[ . 1 . 2]" 1
1052 1 84 ARG H 1 84 ARG HA 2.885 . 3.926 2.889 2.884 2.896 . 0 0 "[ . 1 . 2]" 1
1053 1 84 ARG H 1 84 ARG QB 2.844 . 3.628 3.066 2.853 3.117 . 0 0 "[ . 1 . 2]" 1
1054 1 84 ARG H 1 84 ARG QD 2.701 . 3.613 2.758 2.538 2.893 . 0 0 "[ . 1 . 2]" 1
1055 1 84 ARG H 1 84 ARG HD3 3.049 . 4.211 3.570 2.828 4.232 0.021 14 0 "[ . 1 . 2]" 1
1056 1 84 ARG H 1 84 ARG HG2 2.847 . 3.860 3.599 3.517 3.675 . 0 0 "[ . 1 . 2]" 1
1057 1 84 ARG H 1 84 ARG HG3 2.797 . 3.775 1.945 1.860 2.030 . 0 0 "[ . 1 . 2]" 1
1058 1 84 ARG H 1 85 ALA H 3.129 . 4.353 4.359 4.329 4.411 0.058 19 0 "[ . 1 . 2]" 1
1059 1 84 ARG H 1 101 GLU HG2 2.920 . 3.986 3.378 3.105 3.562 . 0 0 "[ . 1 . 2]" 1
1060 1 84 ARG H 1 101 GLU HG3 2.832 . 3.834 3.189 2.763 3.464 . 0 0 "[ . 1 . 2]" 1
1061 1 84 ARG HA 1 84 ARG QB 2.721 . 3.646 2.108 2.089 2.125 . 0 0 "[ . 1 . 2]" 1
1062 1 84 ARG HA 1 84 ARG QD 2.699 . 3.610 3.665 3.515 3.878 0.268 19 0 "[ . 1 . 2]" 1
1063 1 84 ARG HA 1 84 ARG HG2 2.916 . 3.979 4.067 3.400 4.125 0.146 12 0 "[ . 1 . 2]" 1
1064 1 84 ARG HA 1 84 ARG HG3 2.830 . 3.831 3.450 3.024 3.512 . 0 0 "[ . 1 . 2]" 1
1065 1 84 ARG HA 1 85 ALA H 2.416 . 3.146 2.082 2.045 2.106 . 0 0 "[ . 1 . 2]" 1
1066 1 84 ARG QB 1 84 ARG QD 1.923 . 2.385 2.309 1.751 2.529 0.144 2 0 "[ . 1 . 2]" 1
1067 1 84 ARG QB 1 84 ARG HG2 1.723 . 2.094 2.123 2.115 2.131 0.037 1 0 "[ . 1 . 2]" 1
1068 1 84 ARG QB 1 84 ARG HG3 2.070 . 2.606 2.374 2.334 2.469 . 0 0 "[ . 1 . 2]" 1
1069 1 84 ARG QB 1 85 ALA H 3.116 . 3.628 2.678 2.557 2.743 . 0 0 "[ . 1 . 2]" 1
1070 1 84 ARG QB 1 85 ALA HA 3.101 . 4.303 4.278 3.707 4.333 0.030 10 0 "[ . 1 . 2]" 1
1071 1 84 ARG QD 1 84 ARG HG2 2.249 . 2.881 2.446 2.350 2.512 . 0 0 "[ . 1 . 2]" 1
1072 1 84 ARG QD 1 84 ARG HG3 1.706 . 2.070 2.194 2.118 2.313 0.243 14 0 "[ . 1 . 2]" 1
1073 1 84 ARG QD 1 85 ALA H 3.069 . 4.246 3.858 3.697 4.527 0.281 19 0 "[ . 1 . 2]" 1
1074 1 84 ARG QD 1 100 MET HG3 2.452 . 3.204 2.884 2.368 3.220 0.016 14 0 "[ . 1 . 2]" 1
1075 1 84 ARG QD 1 101 GLU H 2.868 . 3.896 3.888 3.663 3.984 0.088 7 0 "[ . 1 . 2]" 1
1076 1 84 ARG QD 1 101 GLU HA 3.339 . 4.733 4.744 4.262 4.936 0.203 13 0 "[ . 1 . 2]" 1
1077 1 84 ARG QD 1 101 GLU HG2 2.579 . 3.411 3.007 2.576 3.169 . 0 0 "[ . 1 . 2]" 1
1078 1 84 ARG QD 1 101 GLU HG3 2.913 . 3.974 3.929 3.669 4.030 0.056 20 0 "[ . 1 . 2]" 1
1079 1 84 ARG HD3 1 85 ALA H 3.415 . 4.873 4.132 3.766 4.915 0.042 19 0 "[ . 1 . 2]" 1
1080 1 84 ARG HG3 1 101 GLU HG3 3.270 . 4.606 4.609 4.379 4.747 0.141 7 0 "[ . 1 . 2]" 1
1081 1 85 ALA H 1 85 ALA MB 1.994 . 2.491 2.413 2.357 2.525 0.034 19 0 "[ . 1 . 2]" 1
1082 1 85 ALA HA 1 85 ALA MB 2.183 . 2.779 2.127 2.117 2.133 . 0 0 "[ . 1 . 2]" 1
1083 1 85 ALA HA 1 86 ARG H 2.414 . 3.142 2.406 2.333 2.431 . 0 0 "[ . 1 . 2]" 1
1084 1 85 ALA HA 1 98 VAL QG 2.891 . 3.936 4.055 4.010 4.101 0.165 6 0 "[ . 1 . 2]" 1
1085 1 85 ALA HA 1 99 ASN HA 2.949 . 4.036 2.179 1.915 2.525 . 0 0 "[ . 1 . 2]" 1
1086 1 85 ALA HA 1 100 MET HA 3.255 . 4.580 4.062 3.918 4.203 . 0 0 "[ . 1 . 2]" 1
1087 1 85 ALA HA 1 100 MET HB2 3.173 . 4.432 3.334 3.004 3.627 . 0 0 "[ . 1 . 2]" 1
1088 1 85 ALA HA 1 100 MET HG3 2.793 . 3.768 3.302 2.093 3.708 . 0 0 "[ . 1 . 2]" 1
1089 1 85 ALA HA 1 101 GLU H 3.463 . 4.962 4.466 4.330 4.574 . 0 0 "[ . 1 . 2]" 1
1090 1 85 ALA MB 1 86 ARG H 2.228 . 2.848 2.338 2.245 2.463 . 0 0 "[ . 1 . 2]" 1
1091 1 85 ALA MB 1 86 ARG HB3 3.359 . 4.769 4.639 4.466 4.856 0.087 10 0 "[ . 1 . 2]" 1
1092 1 85 ALA MB 1 87 LEU H 3.340 . 4.735 4.681 4.357 4.791 0.056 1 0 "[ . 1 . 2]" 1
1093 1 85 ALA MB 1 87 LEU HA 3.213 . 4.503 4.489 4.346 4.626 0.123 6 0 "[ . 1 . 2]" 1
1094 1 85 ALA MB 1 97 ILE HA 3.133 . 4.360 3.663 3.506 3.770 . 0 0 "[ . 1 . 2]" 1
1095 1 85 ALA MB 1 97 ILE MG 2.136 . 2.706 1.918 1.820 2.017 . 0 0 "[ . 1 . 2]" 1
1096 1 85 ALA MB 1 99 ASN HA 2.683 . 3.583 2.371 2.232 2.543 . 0 0 "[ . 1 . 2]" 1
1097 1 85 ALA MB 1 100 MET H 2.591 . 3.430 3.392 3.272 3.494 0.064 18 0 "[ . 1 . 2]" 1
1098 1 85 ALA MB 1 100 MET QG 2.610 . 3.462 3.624 3.542 3.740 0.278 19 0 "[ . 1 . 2]" 1
1099 1 85 ALA MB 1 106 PHE QD 2.630 . 3.494 3.562 3.365 3.701 0.207 15 0 "[ . 1 . 2]" 1
1100 1 85 ALA MB 1 106 PHE QE 2.720 . 3.645 3.435 2.758 3.747 0.102 12 0 "[ . 1 . 2]" 1
1101 1 86 ARG H 1 86 ARG HB2 3.204 . 4.487 3.243 3.053 3.817 . 0 0 "[ . 1 . 2]" 1
1102 1 86 ARG H 1 86 ARG HB3 3.187 . 4.457 2.655 2.395 3.160 . 0 0 "[ . 1 . 2]" 1
1103 1 86 ARG H 1 87 LEU H 3.114 . 4.326 4.221 4.018 4.314 . 0 0 "[ . 1 . 2]" 1
1104 1 86 ARG H 1 97 ILE HA 2.817 . 3.809 3.934 3.861 3.977 0.168 18 0 "[ . 1 . 2]" 1
1105 1 86 ARG H 1 97 ILE MG 2.501 . 3.283 3.485 3.424 3.557 0.274 14 0 "[ . 1 . 2]" 1
1106 1 86 ARG H 1 98 VAL HA 3.674 . 5.361 4.090 3.985 4.202 . 0 0 "[ . 1 . 2]" 1
1107 1 86 ARG H 1 99 ASN HA 3.027 . 4.173 4.046 3.890 4.246 0.073 15 0 "[ . 1 . 2]" 1
1108 1 86 ARG H 1 100 MET H 3.101 . 4.303 3.659 3.352 3.767 . 0 0 "[ . 1 . 2]" 1
1109 1 86 ARG H 1 100 MET HA 3.229 . 4.532 4.438 4.206 4.560 0.028 2 0 "[ . 1 . 2]" 1
1110 1 86 ARG H 1 100 MET QG 2.939 . 4.019 2.464 2.242 2.594 . 0 0 "[ . 1 . 2]" 1
1111 1 86 ARG HB3 1 100 MET HG2 1.630 . 1.962 2.119 2.008 2.195 0.233 2 0 "[ . 1 . 2]" 1
1112 1 87 LEU H 1 87 LEU HB2 3.371 . 4.792 3.261 2.030 3.423 . 0 0 "[ . 1 . 2]" 1
1113 1 87 LEU H 1 87 LEU HB3 3.601 . 5.222 2.231 2.044 3.174 . 0 0 "[ . 1 . 2]" 1
1114 1 87 LEU H 1 87 LEU QD 2.673 . 3.566 3.520 3.406 3.589 0.023 6 0 "[ . 1 . 2]" 1
1115 1 87 LEU H 1 87 LEU HG 2.966 . 4.066 3.638 3.559 3.731 . 0 0 "[ . 1 . 2]" 1
1116 1 87 LEU H 1 88 THR H 3.372 . 4.793 4.269 4.149 4.545 . 0 0 "[ . 1 . 2]" 1
1117 1 87 LEU HA 1 87 LEU HB3 2.795 . 3.771 2.903 2.817 2.924 . 0 0 "[ . 1 . 2]" 1
1118 1 87 LEU HA 1 87 LEU QD 2.373 . 3.077 2.653 2.001 2.786 . 0 0 "[ . 1 . 2]" 1
1119 1 87 LEU HA 1 87 LEU HG 2.750 . 3.696 3.279 2.566 3.352 . 0 0 "[ . 1 . 2]" 1
1120 1 87 LEU HA 1 88 THR H 2.804 . 3.787 2.158 2.131 2.272 . 0 0 "[ . 1 . 2]" 1
1121 1 87 LEU HA 1 97 ILE HG12 3.609 . 5.237 3.347 3.162 3.627 . 0 0 "[ . 1 . 2]" 1
1122 1 87 LEU HA 1 97 ILE MG 3.104 . 4.308 3.287 3.042 3.544 . 0 0 "[ . 1 . 2]" 1
1123 1 87 LEU HB2 1 87 LEU QD 2.824 . 3.821 2.059 2.004 2.218 . 0 0 "[ . 1 . 2]" 1
1124 1 87 LEU HB2 1 94 LEU QD 3.347 . 4.747 4.076 3.933 4.888 0.141 6 0 "[ . 1 . 2]" 1
1125 1 87 LEU HB3 1 87 LEU QD 2.051 . 2.577 2.090 2.049 2.126 . 0 0 "[ . 1 . 2]" 1
1126 1 87 LEU HB3 1 87 LEU HG 2.513 . 3.303 2.584 2.537 3.004 . 0 0 "[ . 1 . 2]" 1
1127 1 87 LEU QD 1 87 LEU HG 1.862 . 2.295 1.863 1.851 1.891 . 0 0 "[ . 1 . 2]" 1
1128 1 87 LEU QD 1 88 THR H 2.604 . 3.452 2.771 2.136 3.034 . 0 0 "[ . 1 . 2]" 1
1129 1 87 LEU QD 1 89 PHE QD 2.527 . 3.325 3.285 2.960 3.383 0.058 8 0 "[ . 1 . 2]" 1
1130 1 87 LEU QD 1 89 PHE QE 2.663 . 3.550 2.201 2.012 2.316 . 0 0 "[ . 1 . 2]" 1
1131 1 87 LEU QD 1 89 PHE HZ 2.689 . 3.593 2.648 2.213 3.019 . 0 0 "[ . 1 . 2]" 1
1132 1 87 LEU QD 1 94 LEU QD 1.507 . 1.791 1.626 1.569 1.725 . 0 0 "[ . 1 . 2]" 1
1133 1 87 LEU QD 1 97 ILE HA 2.506 . 3.291 3.612 3.549 3.655 0.364 8 0 "[ . 1 . 2]" 1
1134 1 87 LEU QD 1 97 ILE MD 1.588 . 1.903 1.859 1.749 2.005 0.102 6 0 "[ . 1 . 2]" 1
1135 1 87 LEU HG 1 94 LEU QD 2.442 . 3.187 3.240 3.118 3.908 0.721 6 1 "[ .+ 1 . 2]" 1
1136 1 87 LEU HG 1 97 ILE HA 3.364 . 4.778 5.033 4.397 5.135 0.357 10 0 "[ . 1 . 2]" 1
1137 1 87 LEU HG 1 97 ILE MD 2.915 . 3.977 4.205 3.606 4.348 0.371 18 0 "[ . 1 . 2]" 1
1138 1 87 LEU HG 1 97 ILE HG12 3.133 . 4.360 4.364 2.645 4.499 0.139 19 0 "[ . 1 . 2]" 1
1139 1 87 LEU HG 1 97 ILE HG13 2.982 . 4.093 3.747 2.979 3.825 . 0 0 "[ . 1 . 2]" 1
1140 1 88 THR H 1 88 THR HB 2.895 . 3.942 2.534 2.456 2.944 . 0 0 "[ . 1 . 2]" 1
1141 1 88 THR H 1 94 LEU QD 2.749 . 3.693 3.601 3.093 3.686 . 0 0 "[ . 1 . 2]" 1
1142 1 88 THR H 1 95 ALA MB 3.157 . 4.403 3.576 3.466 3.848 . 0 0 "[ . 1 . 2]" 1
1143 1 88 THR H 1 97 ILE HG13 2.533 . 3.335 3.077 2.946 3.280 . 0 0 "[ . 1 . 2]" 1
1144 1 88 THR H 1 97 ILE MG 3.545 . 5.116 4.942 4.759 5.126 0.010 14 0 "[ . 1 . 2]" 1
1145 1 88 THR HA 1 88 THR HB 2.836 . 3.842 3.001 2.995 3.007 . 0 0 "[ . 1 . 2]" 1
1146 1 88 THR HA 1 88 THR MG 1.903 . 2.356 2.394 2.323 2.431 0.075 5 0 "[ . 1 . 2]" 1
1147 1 88 THR HA 1 89 PHE H 2.632 . 3.498 2.161 2.109 2.217 . 0 0 "[ . 1 . 2]" 1
1148 1 88 THR HA 1 89 PHE HA 2.903 . 3.957 4.292 4.270 4.320 0.363 15 0 "[ . 1 . 2]" 1
1149 1 88 THR HA 1 89 PHE QD 3.353 . 4.758 3.897 3.806 3.984 . 0 0 "[ . 1 . 2]" 1
1150 1 88 THR HA 1 89 PHE QE 3.075 . 4.257 4.335 4.091 4.448 0.191 10 0 "[ . 1 . 2]" 1
1151 1 88 THR HA 1 94 LEU QD 3.246 . 4.563 4.125 4.074 4.217 . 0 0 "[ . 1 . 2]" 1
1152 1 88 THR HA 1 95 ALA MB 3.209 . 4.496 3.826 3.769 3.891 . 0 0 "[ . 1 . 2]" 1
1153 1 88 THR HA 1 111 LEU QD 3.109 . 4.318 4.142 3.662 4.455 0.137 4 0 "[ . 1 . 2]" 1
1154 1 88 THR HB 1 88 THR MG 1.863 . 2.297 2.121 2.112 2.125 . 0 0 "[ . 1 . 2]" 1
1155 1 88 THR HB 1 94 LEU QD 3.313 . 4.685 4.629 4.560 4.664 . 0 0 "[ . 1 . 2]" 1
1156 1 88 THR HB 1 95 ALA H 3.429 . 4.898 4.095 3.913 4.207 . 0 0 "[ . 1 . 2]" 1
1157 1 88 THR HB 1 95 ALA MB 2.413 . 3.141 2.036 1.862 2.169 . 0 0 "[ . 1 . 2]" 1
1158 1 88 THR HB 1 96 THR H 2.805 . 3.789 2.999 2.750 3.118 . 0 0 "[ . 1 . 2]" 1
1159 1 88 THR HB 1 96 THR MG 3.019 . 4.158 2.021 1.853 2.362 0.027 7 0 "[ . 1 . 2]" 1
1160 1 88 THR MG 1 89 PHE H 1.987 . 2.481 2.064 2.000 2.205 . 0 0 "[ . 1 . 2]" 1
1161 1 88 THR MG 1 89 PHE QB 3.272 . 4.610 3.804 3.712 4.071 . 0 0 "[ . 1 . 2]" 1
1162 1 88 THR MG 1 90 ASP H 2.802 . 3.784 3.508 3.244 3.707 . 0 0 "[ . 1 . 2]" 1
1163 1 88 THR MG 1 90 ASP QB 3.348 . 4.749 3.403 3.118 3.600 . 0 0 "[ . 1 . 2]" 1
1164 1 88 THR MG 1 94 LEU QD 2.921 . 3.988 4.194 4.161 4.265 0.277 6 0 "[ . 1 . 2]" 1
1165 1 88 THR MG 1 95 ALA H 2.488 . 3.261 3.520 3.478 3.569 0.308 18 0 "[ . 1 . 2]" 1
1166 1 88 THR MG 1 95 ALA MB 1.938 . 2.407 1.822 1.774 1.876 . 0 0 "[ . 1 . 2]" 1
1167 1 88 THR MG 1 111 LEU QB 2.571 . 3.397 2.914 1.721 3.541 0.144 20 0 "[ . 1 . 2]" 1
1168 1 89 PHE H 1 89 PHE HA 2.508 . 3.294 2.909 2.902 2.915 . 0 0 "[ . 1 . 2]" 1
1169 1 89 PHE H 1 89 PHE QB 2.654 . 3.535 2.634 2.535 2.896 . 0 0 "[ . 1 . 2]" 1
1170 1 89 PHE H 1 89 PHE QD 2.463 . 3.221 2.864 2.434 2.986 . 0 0 "[ . 1 . 2]" 1
1171 1 89 PHE H 1 90 ASP H 3.004 . 4.132 4.187 4.067 4.250 0.118 9 0 "[ . 1 . 2]" 1
1172 1 89 PHE H 1 94 LEU QD 3.309 . 4.678 3.917 3.746 4.033 . 0 0 "[ . 1 . 2]" 1
1173 1 89 PHE H 1 111 LEU QD 2.580 . 3.412 3.008 2.472 3.339 . 0 0 "[ . 1 . 2]" 1
1174 1 89 PHE HA 1 89 PHE QB 1.898 . 2.348 2.239 2.136 2.271 . 0 0 "[ . 1 . 2]" 1
1175 1 89 PHE HA 1 90 ASP H 1.934 . 2.402 2.203 2.113 2.263 . 0 0 "[ . 1 . 2]" 1
1176 1 89 PHE HA 1 94 LEU HA 2.823 . 3.819 2.214 1.987 2.315 . 0 0 "[ . 1 . 2]" 1
1177 1 89 PHE HA 1 94 LEU QD 2.383 . 3.093 2.232 2.120 2.306 . 0 0 "[ . 1 . 2]" 1
1178 1 89 PHE HA 1 95 ALA H 3.044 . 4.202 2.101 1.882 2.234 0.004 15 0 "[ . 1 . 2]" 1
1179 1 89 PHE HA 1 95 ALA MB 1.946 . 2.420 2.654 2.562 2.699 0.279 17 0 "[ . 1 . 2]" 1
1180 1 89 PHE QB 1 89 PHE QD 3.142 . 4.010 2.106 2.092 2.119 . 0 0 "[ . 1 . 2]" 1
1181 1 89 PHE QB 1 91 GLY H 3.417 . 4.876 4.229 4.035 4.502 . 0 0 "[ . 1 . 2]" 1
1182 1 89 PHE QB 1 94 LEU HA 3.385 . 4.817 3.459 2.715 3.673 . 0 0 "[ . 1 . 2]" 1
1183 1 89 PHE QB 1 95 ALA MB 3.130 . 4.354 4.012 3.983 4.053 . 0 0 "[ . 1 . 2]" 1
1184 1 89 PHE QD 1 94 LEU HA 2.968 . 4.069 2.922 2.819 3.224 . 0 0 "[ . 1 . 2]" 1
1185 1 89 PHE QD 1 94 LEU QD 2.388 . 3.101 1.720 1.646 1.791 0.029 7 0 "[ . 1 . 2]" 1
1186 1 89 PHE QE 1 94 LEU HA 3.368 . 4.786 4.977 4.861 5.420 0.634 14 2 "[ . 1 +- 2]" 1
1187 1 89 PHE QE 1 94 LEU QD 2.527 . 3.325 2.426 2.293 2.832 . 0 0 "[ . 1 . 2]" 1
1188 1 90 ASP H 1 90 ASP HB3 2.401 . 3.121 2.518 2.326 2.876 . 0 0 "[ . 1 . 2]" 1
1189 1 90 ASP H 1 94 LEU HA 2.636 . 3.505 3.011 2.898 3.202 . 0 0 "[ . 1 . 2]" 1
1190 1 90 ASP H 1 94 LEU QD 2.734 . 3.668 3.755 3.701 3.886 0.218 10 0 "[ . 1 . 2]" 1
1191 1 90 ASP H 1 95 ALA H 2.657 . 3.539 2.472 2.321 2.665 . 0 0 "[ . 1 . 2]" 1
1192 1 90 ASP H 1 95 ALA MB 2.272 . 2.917 1.963 1.703 2.206 . 0 0 "[ . 1 . 2]" 1
1193 1 90 ASP HA 1 90 ASP QB 2.409 . 3.134 2.329 2.157 2.387 . 0 0 "[ . 1 . 2]" 1
1194 1 90 ASP HA 1 91 GLY H 1.760 . 2.147 2.209 2.112 2.255 0.108 14 0 "[ . 1 . 2]" 1
1195 1 90 ASP HA 1 111 LEU HA 3.080 . 4.266 4.410 4.274 4.539 0.273 8 0 "[ . 1 . 2]" 1
1196 1 90 ASP HA 1 111 LEU QB 3.334 . 4.723 4.496 3.890 4.840 0.117 2 0 "[ . 1 . 2]" 1
1197 1 90 ASP HA 1 111 LEU QD 2.496 . 3.210 1.848 1.715 2.216 0.002 16 0 "[ . 1 . 2]" 1
1198 1 90 ASP QB 1 91 GLY H 3.182 . 4.448 3.967 3.575 4.017 . 0 0 "[ . 1 . 2]" 1
1199 1 90 ASP QB 1 95 ALA MB 2.003 . 2.504 1.859 1.766 1.958 . 0 0 "[ . 1 . 2]" 1
1200 1 90 ASP HB2 1 111 LEU QD 3.217 . 4.511 2.548 1.975 3.441 . 0 0 "[ . 1 . 2]" 1
1201 1 90 ASP HB3 1 95 ALA HA 3.361 . 4.773 2.567 2.330 3.420 . 0 0 "[ . 1 . 2]" 1
1202 1 91 GLY H 1 91 GLY HA2 2.047 . 2.571 2.340 2.325 2.353 . 0 0 "[ . 1 . 2]" 1
1203 1 91 GLY H 1 91 GLY HA3 2.330 . 3.009 2.897 2.883 2.915 . 0 0 "[ . 1 . 2]" 1
1204 1 91 GLY HA2 1 92 ASP H 2.449 . 3.199 3.271 3.234 3.303 0.104 14 0 "[ . 1 . 2]" 1
1205 1 91 GLY HA2 1 92 ASP HA 3.294 . 4.650 4.488 4.464 4.504 . 0 0 "[ . 1 . 2]" 1
1206 1 91 GLY HA2 1 92 ASP QB 3.301 . 4.663 4.537 4.439 4.732 0.069 19 0 "[ . 1 . 2]" 1
1207 1 91 GLY HA2 1 93 HIS H 3.010 . 4.143 4.254 4.228 4.284 0.141 1 0 "[ . 1 . 2]" 1
1208 1 91 GLY HA3 1 92 ASP H 2.132 . 2.700 2.091 2.062 2.111 . 0 0 "[ . 1 . 2]" 1
1209 1 91 GLY HA3 1 92 ASP HA 3.179 . 4.442 4.378 4.340 4.407 . 0 0 "[ . 1 . 2]" 1
1210 1 91 GLY HA3 1 92 ASP QB 3.642 . 5.300 4.024 3.914 4.302 . 0 0 "[ . 1 . 2]" 1
1211 1 91 GLY HA3 1 93 HIS H 2.393 . 3.109 3.198 3.140 3.270 0.161 14 0 "[ . 1 . 2]" 1
1212 1 92 ASP H 1 92 ASP HA 2.355 . 3.048 2.966 2.940 2.977 . 0 0 "[ . 1 . 2]" 1
1213 1 92 ASP H 1 92 ASP QB 2.166 . 2.752 2.482 2.338 2.837 0.085 19 0 "[ . 1 . 2]" 1
1214 1 92 ASP H 1 93 HIS H 1.802 . 2.208 2.024 1.960 2.084 . 0 0 "[ . 1 . 2]" 1
1215 1 92 ASP H 1 93 HIS HA 3.701 . 5.413 4.566 4.542 4.627 . 0 0 "[ . 1 . 2]" 1
1216 1 92 ASP H 1 93 HIS HB2 3.406 . 4.857 5.202 5.146 5.277 0.420 19 0 "[ . 1 . 2]" 1
1217 1 92 ASP H 1 93 HIS HB3 3.506 . 5.042 3.977 3.875 4.133 . 0 0 "[ . 1 . 2]" 1
1218 1 92 ASP HA 1 92 ASP QB 1.974 . 2.461 2.487 2.204 2.540 0.079 2 0 "[ . 1 . 2]" 1
1219 1 92 ASP HA 1 93 HIS H 2.379 . 3.086 3.095 3.042 3.144 0.058 19 0 "[ . 1 . 2]" 1
1220 1 92 ASP HA 1 93 HIS HA 3.294 . 4.650 4.404 4.346 4.441 . 0 0 "[ . 1 . 2]" 1
1221 1 92 ASP QB 1 93 HIS H 2.888 . 3.931 3.489 3.392 3.831 . 0 0 "[ . 1 . 2]" 1
1222 1 93 HIS H 1 93 HIS HA 2.711 . 3.629 2.908 2.900 2.914 . 0 0 "[ . 1 . 2]" 1
1223 1 93 HIS H 1 93 HIS HB2 2.787 . 3.758 3.838 3.824 3.864 0.106 10 0 "[ . 1 . 2]" 1
1224 1 93 HIS H 1 93 HIS HB3 2.908 . 3.965 3.162 3.086 3.223 . 0 0 "[ . 1 . 2]" 1
1225 1 93 HIS HA 1 93 HIS HB2 2.490 . 3.265 2.406 2.362 2.435 . 0 0 "[ . 1 . 2]" 1
1226 1 93 HIS HA 1 93 HIS HB3 2.527 . 3.325 2.507 2.472 2.547 . 0 0 "[ . 1 . 2]" 1
1227 1 93 HIS HA 1 94 LEU H 2.376 . 3.081 2.289 2.257 2.317 . 0 0 "[ . 1 . 2]" 1
1228 1 93 HIS HA 1 94 LEU HA 3.355 . 4.762 4.274 4.252 4.327 . 0 0 "[ . 1 . 2]" 1
1229 1 93 HIS HA 1 94 LEU QD 3.356 . 4.764 4.651 4.586 4.700 . 0 0 "[ . 1 . 2]" 1
1230 1 93 HIS HB2 1 94 LEU H 2.584 . 3.419 2.524 2.488 2.577 . 0 0 "[ . 1 . 2]" 1
1231 1 93 HIS HB2 1 94 LEU HB3 3.338 . 4.731 4.645 4.584 4.693 . 0 0 "[ . 1 . 2]" 1
1232 1 93 HIS HB3 1 94 LEU H 2.821 . 3.816 3.834 3.783 3.870 0.054 7 0 "[ . 1 . 2]" 1
1233 1 94 LEU H 1 94 LEU HB2 2.578 . 3.409 2.235 2.139 2.287 . 0 0 "[ . 1 . 2]" 1
1234 1 94 LEU H 1 94 LEU HB3 2.576 . 3.406 2.845 2.793 2.946 . 0 0 "[ . 1 . 2]" 1
1235 1 94 LEU H 1 94 LEU QD 2.724 . 3.651 3.389 3.258 3.443 . 0 0 "[ . 1 . 2]" 1
1236 1 94 LEU H 1 94 LEU HG 3.476 . 4.987 4.599 4.581 4.625 . 0 0 "[ . 1 . 2]" 1
1237 1 94 LEU H 1 95 ALA H 3.401 . 4.847 4.547 4.503 4.580 . 0 0 "[ . 1 . 2]" 1
1238 1 94 LEU HA 1 94 LEU QD 2.740 . 2.742 1.790 1.754 1.825 0.047 7 0 "[ . 1 . 2]" 1
1239 1 94 LEU HA 1 94 LEU HG 3.385 . 4.817 2.971 2.917 3.042 . 0 0 "[ . 1 . 2]" 1
1240 1 94 LEU HA 1 95 ALA H 2.822 . 3.818 2.096 2.056 2.142 . 0 0 "[ . 1 . 2]" 1
1241 1 94 LEU HA 1 95 ALA HA 2.859 . 3.881 4.220 4.196 4.251 0.370 7 0 "[ . 1 . 2]" 1
1242 1 94 LEU HA 1 95 ALA MB 2.675 . 3.569 3.679 3.651 3.711 0.142 15 0 "[ . 1 . 2]" 1
1243 1 94 LEU HB2 1 94 LEU QD 2.032 . 2.548 2.020 1.983 2.045 . 0 0 "[ . 1 . 2]" 1
1244 1 94 LEU HB2 1 94 LEU HG 2.794 . 3.770 3.015 3.004 3.030 . 0 0 "[ . 1 . 2]" 1
1245 1 94 LEU HB2 1 95 ALA H 3.353 . 4.759 4.210 4.135 4.278 . 0 0 "[ . 1 . 2]" 1
1246 1 94 LEU HB3 1 94 LEU QD 3.405 . 3.877 2.403 2.383 2.427 . 0 0 "[ . 1 . 2]" 1
1247 1 94 LEU HB3 1 96 THR H 3.426 . 4.893 4.430 4.274 4.564 . 0 0 "[ . 1 . 2]" 1
1248 1 94 LEU MD1 1 94 LEU MD2 1.585 . 1.899 2.009 1.987 2.020 0.121 19 0 "[ . 1 . 2]" 1
1249 1 94 LEU QD 1 95 ALA H 2.236 . 2.861 2.186 2.108 2.284 . 0 0 "[ . 1 . 2]" 1
1250 1 94 LEU QD 1 96 THR HA 3.105 . 4.310 4.209 4.116 4.271 . 0 0 "[ . 1 . 2]" 1
1251 1 94 LEU QD 1 97 ILE MD 1.742 . 2.121 1.711 1.680 1.747 0.002 16 0 "[ . 1 . 2]" 1
1252 1 94 LEU QD 1 97 ILE HG13 3.045 . 4.204 3.393 3.347 3.446 . 0 0 "[ . 1 . 2]" 1
1253 1 94 LEU HG 1 95 ALA H 3.207 . 4.492 2.791 2.559 3.051 . 0 0 "[ . 1 . 2]" 1
1254 1 94 LEU HG 1 97 ILE MD 2.738 . 3.675 2.534 2.419 2.685 . 0 0 "[ . 1 . 2]" 1
1255 1 94 LEU HG 1 97 ILE HG13 2.975 . 4.081 4.171 4.112 4.293 0.212 13 0 "[ . 1 . 2]" 1
1256 1 95 ALA H 1 95 ALA HA 2.730 . 3.662 2.859 2.834 2.880 . 0 0 "[ . 1 . 2]" 1
1257 1 95 ALA H 1 95 ALA MB 1.971 . 2.457 2.106 2.039 2.203 . 0 0 "[ . 1 . 2]" 1
1258 1 95 ALA H 1 96 THR H 2.263 . 2.903 2.366 2.236 2.481 . 0 0 "[ . 1 . 2]" 1
1259 1 95 ALA HA 1 95 ALA MB 1.672 . 2.021 2.091 2.083 2.097 0.076 15 0 "[ . 1 . 2]" 1
1260 1 95 ALA HA 1 96 THR H 2.618 . 3.475 3.522 3.509 3.536 0.061 4 0 "[ . 1 . 2]" 1
1261 1 95 ALA MB 1 96 THR H 1.817 . 2.230 2.309 2.253 2.360 0.130 19 0 "[ . 1 . 2]" 1
1262 1 95 ALA MB 1 96 THR HA 3.235 . 4.543 4.215 4.175 4.253 . 0 0 "[ . 1 . 2]" 1
1263 1 95 ALA MB 1 96 THR HB 3.379 . 4.807 3.444 3.366 3.549 . 0 0 "[ . 1 . 2]" 1
1264 1 95 ALA MB 1 96 THR MG 1.931 . 2.397 2.522 2.430 2.602 0.205 9 0 "[ . 1 . 2]" 1
1265 1 96 THR H 1 96 THR HA 2.341 . 3.026 2.791 2.771 2.809 . 0 0 "[ . 1 . 2]" 1
1266 1 96 THR H 1 96 THR HB 3.165 . 4.417 3.445 3.410 3.498 . 0 0 "[ . 1 . 2]" 1
1267 1 96 THR H 1 96 THR MG 2.175 . 2.766 2.814 2.779 2.860 0.094 18 0 "[ . 1 . 2]" 1
1268 1 96 THR H 1 97 ILE H 3.195 . 4.471 4.264 4.227 4.281 . 0 0 "[ . 1 . 2]" 1
1269 1 96 THR H 1 97 ILE MD 2.575 . 3.404 3.507 3.458 3.582 0.178 5 0 "[ . 1 . 2]" 1
1270 1 96 THR H 1 97 ILE HG13 3.419 . 4.880 4.275 4.161 4.364 . 0 0 "[ . 1 . 2]" 1
1271 1 96 THR HA 1 96 THR HB 2.440 . 3.184 2.563 2.552 2.579 . 0 0 "[ . 1 . 2]" 1
1272 1 96 THR HA 1 97 ILE H 2.398 . 3.117 2.421 2.384 2.453 . 0 0 "[ . 1 . 2]" 1
1273 1 96 THR HA 1 97 ILE HB 3.084 . 4.273 4.270 4.174 4.365 0.092 18 0 "[ . 1 . 2]" 1
1274 1 96 THR HA 1 97 ILE MD 2.259 . 2.897 2.910 2.720 3.017 0.120 19 0 "[ . 1 . 2]" 1
1275 1 96 THR HA 1 97 ILE HG13 3.243 . 4.558 4.512 4.381 4.573 0.015 1 0 "[ . 1 . 2]" 1
1276 1 96 THR HA 1 98 VAL QG 3.185 . 4.453 4.684 4.546 4.813 0.360 15 0 "[ . 1 . 2]" 1
1277 1 96 THR HB 1 96 THR MG 1.862 . 2.296 2.131 2.125 2.137 . 0 0 "[ . 1 . 2]" 1
1278 1 96 THR HB 1 97 ILE H 2.603 . 3.450 3.588 3.544 3.647 0.197 10 0 "[ . 1 . 2]" 1
1279 1 96 THR HB 1 107 GLY QA 3.618 . 5.254 4.628 2.790 5.228 . 0 0 "[ . 1 . 2]" 1
1280 1 96 THR HB 1 108 PHE H 3.529 . 5.086 3.696 2.600 5.015 . 0 0 "[ . 1 . 2]" 1
1281 1 96 THR MG 1 97 ILE H 2.133 . 2.702 2.730 2.644 2.763 0.061 14 0 "[ . 1 . 2]" 1
1282 1 96 THR MG 1 97 ILE HB 3.262 . 4.592 4.706 4.638 4.756 0.164 4 0 "[ . 1 . 2]" 1
1283 1 96 THR MG 1 97 ILE HG13 2.820 . 3.814 4.065 4.028 4.167 0.353 9 0 "[ . 1 . 2]" 1
1284 1 96 THR MG 1 98 VAL QG 2.040 . 2.560 2.275 2.058 2.545 . 0 0 "[ . 1 . 2]" 1
1285 1 96 THR MG 1 107 GLY QA 2.981 . 4.092 3.676 2.778 4.014 . 0 0 "[ . 1 . 2]" 1
1286 1 96 THR MG 1 108 PHE H 2.273 . 2.919 2.774 2.060 3.189 0.270 12 0 "[ . 1 . 2]" 1
1287 1 96 THR MG 1 108 PHE HA 3.368 . 4.786 4.203 2.283 4.824 0.038 6 0 "[ . 1 . 2]" 1
1288 1 97 ILE H 1 97 ILE HB 2.991 . 4.109 2.779 2.718 2.828 . 0 0 "[ . 1 . 2]" 1
1289 1 97 ILE H 1 97 ILE MD 2.606 . 3.455 3.039 2.910 3.172 . 0 0 "[ . 1 . 2]" 1
1290 1 97 ILE H 1 97 ILE HG12 3.405 . 4.854 4.774 4.712 4.826 . 0 0 "[ . 1 . 2]" 1
1291 1 97 ILE H 1 97 ILE HG13 2.994 . 4.115 3.767 3.693 3.800 . 0 0 "[ . 1 . 2]" 1
1292 1 97 ILE H 1 97 ILE MG 2.665 . 3.553 3.772 3.724 3.843 0.290 4 0 "[ . 1 . 2]" 1
1293 1 97 ILE H 1 98 VAL HA 3.559 . 5.143 4.315 4.163 4.403 . 0 0 "[ . 1 . 2]" 1
1294 1 97 ILE H 1 98 VAL QG 2.385 . 3.096 3.124 3.035 3.208 0.112 15 0 "[ . 1 . 2]" 1
1295 1 97 ILE HA 1 97 ILE MD 2.683 . 3.583 3.361 3.295 3.438 . 0 0 "[ . 1 . 2]" 1
1296 1 97 ILE HA 1 97 ILE HG12 2.540 . 3.346 3.305 3.256 3.353 0.007 4 0 "[ . 1 . 2]" 1
1297 1 97 ILE HA 1 97 ILE HG13 2.800 . 3.780 2.126 2.073 2.221 . 0 0 "[ . 1 . 2]" 1
1298 1 97 ILE HA 1 97 ILE MG 2.497 . 3.277 2.466 2.415 2.506 . 0 0 "[ . 1 . 2]" 1
1299 1 97 ILE HA 1 98 VAL HB 3.121 . 4.338 4.460 4.395 4.530 0.192 12 0 "[ . 1 . 2]" 1
1300 1 97 ILE HA 1 98 VAL QG 2.622 . 3.481 3.426 3.130 3.526 0.045 14 0 "[ . 1 . 2]" 1
1301 1 97 ILE HB 1 97 ILE MD 2.433 . 3.173 2.223 2.187 2.252 . 0 0 "[ . 1 . 2]" 1
1302 1 97 ILE HB 1 97 ILE HG12 2.829 . 3.829 2.756 2.736 2.782 . 0 0 "[ . 1 . 2]" 1
1303 1 97 ILE HB 1 97 ILE MG 2.365 . 3.064 2.120 2.113 2.127 . 0 0 "[ . 1 . 2]" 1
1304 1 97 ILE MD 1 97 ILE HG13 2.125 . 2.689 2.087 2.072 2.102 . 0 0 "[ . 1 . 2]" 1
1305 1 97 ILE HG12 1 97 ILE MG 1.880 . 2.322 2.147 2.071 2.202 . 0 0 "[ . 1 . 2]" 1
1306 1 97 ILE HG13 1 97 ILE MG 2.606 . 3.455 2.806 2.745 2.853 . 0 0 "[ . 1 . 2]" 1
1307 1 97 ILE MG 1 98 VAL HB 3.612 . 5.243 4.769 4.655 4.899 . 0 0 "[ . 1 . 2]" 1
1308 1 97 ILE MG 1 106 PHE QD 2.291 . 2.947 3.060 2.756 3.258 0.311 12 0 "[ . 1 . 2]" 1
1309 1 97 ILE MG 1 106 PHE QE 2.576 . 3.406 2.384 1.760 3.768 0.362 20 0 "[ . 1 . 2]" 1
1310 1 98 VAL HA 1 98 VAL HB 2.854 . 3.872 2.999 2.982 3.006 . 0 0 "[ . 1 . 2]" 1
1311 1 98 VAL HA 1 98 VAL QG 2.086 . 2.630 2.106 2.045 2.137 . 0 0 "[ . 1 . 2]" 1
1312 1 98 VAL HA 1 99 ASN HB2 3.306 . 4.672 4.574 4.259 5.632 0.960 20 1 "[ . 1 . +]" 1
1313 1 98 VAL HB 1 98 VAL QG 1.911 . 2.367 1.888 1.873 1.897 . 0 0 "[ . 1 . 2]" 1
1314 1 98 VAL HB 1 103 ASN H 3.627 . 5.272 5.575 5.508 5.667 0.395 14 0 "[ . 1 . 2]" 1
1315 1 98 VAL MG1 1 98 VAL MG2 1.652 . 1.993 2.083 2.042 2.095 0.102 11 0 "[ . 1 . 2]" 1
1316 1 98 VAL QG 1 99 ASN HA 3.037 . 4.190 3.824 3.707 3.881 . 0 0 "[ . 1 . 2]" 1
1317 1 98 VAL QG 1 99 ASN HB2 2.952 . 4.041 3.950 3.752 4.509 0.468 20 0 "[ . 1 . 2]" 1
1318 1 98 VAL QG 1 100 MET H 2.630 . 3.494 3.637 3.606 3.686 0.192 7 0 "[ . 1 . 2]" 1
1319 1 98 VAL QG 1 100 MET HA 2.468 . 3.229 2.767 2.600 3.101 . 0 0 "[ . 1 . 2]" 1
1320 1 98 VAL QG 1 103 ASN H 2.269 . 2.913 2.976 2.924 3.077 0.164 14 0 "[ . 1 . 2]" 1
1321 1 98 VAL QG 1 103 ASN HA . . 2.505 1.703 1.625 1.774 0.198 18 0 "[ . 1 . 2]" 1
1322 1 98 VAL QG 1 103 ASN QB 2.362 . 2.924 2.536 2.347 2.875 . 0 0 "[ . 1 . 2]" 1
1323 1 98 VAL QG 1 106 PHE QD 2.624 . 3.485 3.278 3.036 3.486 0.001 4 0 "[ . 1 . 2]" 1
1324 1 98 VAL QG 1 107 GLY QA 3.324 . 4.705 1.947 1.616 2.882 0.327 13 0 "[ . 1 . 2]" 1
1325 1 98 VAL QG 1 108 PHE H 2.351 . 3.042 2.540 1.995 3.119 0.077 10 0 "[ . 1 . 2]" 1
1326 1 99 ASN HA 1 99 ASN HB2 2.814 . 3.804 2.958 2.465 3.042 . 0 0 "[ . 1 . 2]" 1
1327 1 99 ASN HA 1 100 MET H 2.669 . 3.560 2.000 1.957 2.071 . 0 0 "[ . 1 . 2]" 1
1328 1 99 ASN HA 1 100 MET HA 3.087 . 4.278 4.290 4.246 4.340 0.062 19 0 "[ . 1 . 2]" 1
1329 1 99 ASN HA 1 100 MET HB2 2.801 . 3.781 4.083 4.024 4.167 0.386 16 0 "[ . 1 . 2]" 1
1330 1 99 ASN HA 1 100 MET QG 3.319 . 4.696 3.774 3.515 4.026 . 0 0 "[ . 1 . 2]" 1
1331 1 99 ASN HA 1 101 GLU H 2.825 . 3.822 3.554 3.464 3.648 . 0 0 "[ . 1 . 2]" 1
1332 1 99 ASN HB2 1 102 ASN H 3.634 . 5.285 3.815 3.425 5.000 . 0 0 "[ . 1 . 2]" 1
1333 1 99 ASN HB3 1 100 MET H 3.652 . 5.319 3.800 3.632 4.360 . 0 0 "[ . 1 . 2]" 1
1334 1 99 ASN HB3 1 102 ASN H 3.491 . 5.014 3.439 3.105 4.936 . 0 0 "[ . 1 . 2]" 1
1335 1 99 ASN HB3 1 103 ASN H 3.401 . 4.847 4.268 3.440 5.232 0.385 20 0 "[ . 1 . 2]" 1
1336 1 100 MET H 1 100 MET HA 2.652 . 3.531 2.730 2.659 2.764 . 0 0 "[ . 1 . 2]" 1
1337 1 100 MET H 1 100 MET HB2 3.627 . 5.272 2.182 2.087 2.301 . 0 0 "[ . 1 . 2]" 1
1338 1 100 MET H 1 100 MET QG 2.909 . 3.967 2.285 2.053 2.454 . 0 0 "[ . 1 . 2]" 1
1339 1 100 MET H 1 101 GLU H 2.637 . 3.506 2.645 2.587 2.763 . 0 0 "[ . 1 . 2]" 1
1340 1 100 MET H 1 101 GLU HA 3.471 . 4.977 5.090 5.035 5.214 0.237 19 0 "[ . 1 . 2]" 1
1341 1 100 MET H 1 101 GLU HB2 3.651 . 5.317 5.133 5.043 5.237 . 0 0 "[ . 1 . 2]" 1
1342 1 100 MET H 1 101 GLU HG3 2.899 . 3.949 3.801 3.710 3.972 0.023 10 0 "[ . 1 . 2]" 1
1343 1 100 MET H 1 102 ASN H 3.141 . 4.374 4.451 4.394 4.512 0.138 7 0 "[ . 1 . 2]" 1
1344 1 100 MET HA 1 100 MET QB 2.066 . 2.599 2.421 2.379 2.450 . 0 0 "[ . 1 . 2]" 1
1345 1 100 MET HA 1 100 MET HG2 2.109 . 2.665 2.641 2.405 2.769 0.104 13 0 "[ . 1 . 2]" 1
1346 1 100 MET HA 1 101 GLU H 2.858 . 3.879 3.331 3.288 3.388 . 0 0 "[ . 1 . 2]" 1
1347 1 100 MET HA 1 101 GLU HA 3.171 . 4.428 4.627 4.594 4.676 0.248 10 0 "[ . 1 . 2]" 1
1348 1 100 MET HA 1 101 GLU HG2 3.278 . 4.622 4.876 4.779 4.935 0.313 1 0 "[ . 1 . 2]" 1
1349 1 100 MET HA 1 102 ASN H 3.073 . 4.254 4.277 4.141 4.321 0.067 19 0 "[ . 1 . 2]" 1
1350 1 100 MET HA 1 103 ASN H 3.096 . 4.294 3.264 3.102 3.462 . 0 0 "[ . 1 . 2]" 1
1351 1 100 MET HA 1 103 ASN HA 2.699 . 3.610 3.376 3.227 3.602 . 0 0 "[ . 1 . 2]" 1
1352 1 100 MET QB 1 100 MET HG2 2.904 . 3.958 2.188 2.103 2.303 . 0 0 "[ . 1 . 2]" 1
1353 1 100 MET QB 1 103 ASN QB 3.022 . 4.163 3.999 3.702 4.143 . 0 0 "[ . 1 . 2]" 1
1354 1 100 MET HB2 1 101 GLU HG2 2.978 . 4.086 3.236 2.948 3.433 . 0 0 "[ . 1 . 2]" 1
1355 1 100 MET HB2 1 101 GLU HG3 3.108 . 4.315 4.078 3.633 4.323 0.008 14 0 "[ . 1 . 2]" 1
1356 1 100 MET QG 1 101 GLU H 3.547 . 5.120 4.237 4.068 4.369 . 0 0 "[ . 1 . 2]" 1
1357 1 101 GLU H 1 101 GLU HA 2.264 . 2.905 2.756 2.718 2.782 . 0 0 "[ . 1 . 2]" 1
1358 1 101 GLU H 1 101 GLU HB2 2.315 . 2.985 2.648 2.597 2.741 . 0 0 "[ . 1 . 2]" 1
1359 1 101 GLU H 1 101 GLU HB3 2.486 . 3.258 3.418 3.388 3.437 0.179 7 0 "[ . 1 . 2]" 1
1360 1 101 GLU H 1 101 GLU HG2 2.223 . 2.840 2.099 1.862 2.212 . 0 0 "[ . 1 . 2]" 1
1361 1 101 GLU H 1 101 GLU HG3 2.222 . 2.839 2.085 1.965 2.217 . 0 0 "[ . 1 . 2]" 1
1362 1 101 GLU H 1 102 ASN H 2.223 . 2.841 2.468 2.393 2.548 . 0 0 "[ . 1 . 2]" 1
1363 1 101 GLU H 1 103 ASN H 2.724 . 3.652 3.465 3.355 3.608 . 0 0 "[ . 1 . 2]" 1
1364 1 101 GLU H 1 103 ASN QB 3.367 . 4.784 4.501 4.221 4.681 . 0 0 "[ . 1 . 2]" 1
1365 1 101 GLU HA 1 101 GLU HB2 2.264 . 2.905 2.967 2.963 2.972 0.067 13 0 "[ . 1 . 2]" 1
1366 1 101 GLU HA 1 101 GLU HB3 2.091 . 2.638 2.318 2.305 2.326 . 0 0 "[ . 1 . 2]" 1
1367 1 101 GLU HA 1 101 GLU HG2 2.000 . 2.500 2.569 2.513 2.625 0.125 10 0 "[ . 1 . 2]" 1
1368 1 101 GLU HA 1 102 ASN H 2.533 . 3.335 3.431 3.412 3.463 0.128 7 0 "[ . 1 . 2]" 1
1369 1 101 GLU HA 1 103 ASN H 3.096 . 4.294 4.558 4.509 4.601 0.307 15 0 "[ . 1 . 2]" 1
1370 1 101 GLU HB2 1 101 GLU HG2 2.289 . 2.944 2.920 2.888 2.939 . 0 0 "[ . 1 . 2]" 1
1371 1 101 GLU HB2 1 101 GLU HG3 1.818 . 2.231 2.248 2.231 2.258 0.027 8 0 "[ . 1 . 2]" 1
1372 1 101 GLU HB2 1 102 ASN H 2.621 . 3.480 2.388 2.344 2.453 . 0 0 "[ . 1 . 2]" 1
1373 1 101 GLU HB2 1 102 ASN HA 2.984 . 4.097 4.187 4.116 4.249 0.152 14 0 "[ . 1 . 2]" 1
1374 1 101 GLU HB2 1 102 ASN QB 3.359 . 4.770 3.745 3.310 4.192 . 0 0 "[ . 1 . 2]" 1
1375 1 101 GLU HB2 1 103 ASN H 3.159 . 4.407 4.446 4.359 4.515 0.108 4 0 "[ . 1 . 2]" 1
1376 1 101 GLU HB3 1 101 GLU HG2 2.028 . 2.542 2.672 2.647 2.709 0.167 10 0 "[ . 1 . 2]" 1
1377 1 101 GLU HB3 1 102 ASN H 2.589 . 3.427 3.710 3.675 3.757 0.330 19 0 "[ . 1 . 2]" 1
1378 1 101 GLU HG3 1 103 ASN H 3.576 . 5.175 5.199 5.063 5.316 0.141 5 0 "[ . 1 . 2]" 1
1379 1 102 ASN H 1 102 ASN HA 2.475 . 3.241 2.909 2.890 2.923 . 0 0 "[ . 1 . 2]" 1
1380 1 102 ASN H 1 102 ASN HB2 3.329 . 4.715 2.830 2.401 3.777 . 0 0 "[ . 1 . 2]" 1
1381 1 102 ASN H 1 102 ASN HB3 3.110 . 4.319 3.149 2.354 3.725 . 0 0 "[ . 1 . 2]" 1
1382 1 102 ASN H 1 103 ASN H 2.133 . 2.702 2.107 2.014 2.201 . 0 0 "[ . 1 . 2]" 1
1383 1 102 ASN HA 1 102 ASN QB 2.083 . 2.625 2.337 2.162 2.444 . 0 0 "[ . 1 . 2]" 1
1384 1 102 ASN HA 1 103 ASN H 2.774 . 3.736 3.437 3.396 3.485 . 0 0 "[ . 1 . 2]" 1
1385 1 102 ASN HA 1 103 ASN HA 3.594 . 5.209 5.255 5.219 5.278 0.069 12 0 "[ . 1 . 2]" 1
1386 1 102 ASN HA 1 103 ASN QB 3.271 . 4.608 4.642 4.253 4.750 0.142 4 0 "[ . 1 . 2]" 1
1387 1 102 ASN QB 1 103 ASN H 3.542 . 5.110 2.996 2.723 3.704 . 0 0 "[ . 1 . 2]" 1
1388 1 103 ASN H 1 103 ASN HA 2.167 . 2.754 2.264 2.233 2.296 . 0 0 "[ . 1 . 2]" 1
1389 1 103 ASN H 1 103 ASN QB 2.209 . 2.819 2.610 2.547 2.671 . 0 0 "[ . 1 . 2]" 1
1390 1 103 ASN HA 1 103 ASN QB 1.925 . 2.388 2.163 2.119 2.397 0.009 18 0 "[ . 1 . 2]" 1
1391 1 107 GLY QA 1 108 PHE H 2.837 . 3.569 2.170 2.033 2.915 . 0 0 "[ . 1 . 2]" 1
1392 1 107 GLY QA 1 108 PHE HA 3.585 . 5.192 3.935 3.832 4.097 . 0 0 "[ . 1 . 2]" 1
1393 1 107 GLY QA 1 108 PHE QD 3.108 . 4.316 3.591 2.710 4.213 . 0 0 "[ . 1 . 2]" 1
1394 1 108 PHE H 1 108 PHE HA 2.774 . 3.736 2.894 2.753 2.943 . 0 0 "[ . 1 . 2]" 1
1395 1 108 PHE H 1 108 PHE QB 2.570 . 3.396 2.770 2.401 3.315 . 0 0 "[ . 1 . 2]" 1
1396 1 108 PHE HA 1 108 PHE QD 2.847 . 3.860 2.960 1.993 3.743 . 0 0 "[ . 1 . 2]" 1
1397 1 108 PHE QB 1 108 PHE QD 2.376 . 3.082 2.129 2.121 2.190 . 0 0 "[ . 1 . 2]" 1
1398 1 111 LEU H 1 111 LEU HB3 3.588 . 5.197 3.405 2.700 3.890 . 0 0 "[ . 1 . 2]" 1
1399 1 111 LEU HA 1 111 LEU QB 3.087 . 4.278 2.467 2.361 2.536 . 0 0 "[ . 1 . 2]" 1
1400 1 111 LEU HA 1 111 LEU QD 2.711 . 2.723 2.074 1.783 2.863 0.140 5 0 "[ . 1 . 2]" 1
1401 1 111 LEU QB 1 111 LEU QD 2.348 . 3.037 1.938 1.756 2.036 . 0 0 "[ . 1 . 2]" 1
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