NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610468 |
5lfi   |
34018 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lfi
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 1158
_Distance_constraint_stats_list.Viol_count 1949
_Distance_constraint_stats_list.Viol_total 7594.138
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.0956
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0256
_Distance_constraint_stats_list.Viol_average_violations_only 0.2435
_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 14 ILE 0.268 0.068 6 0 "[ . 1 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 24 GLN 4.368 0.555 10 1 "[ . + . ]"
1 25 ILE 11.685 0.555 10 1 "[ . + . ]"
1 26 GLU 3.435 0.477 13 0 "[ . 1 . ]"
1 27 PHE 7.972 0.569 7 3 "[ -. + 1* . ]"
1 28 GLU 9.749 0.750 10 4 "[ .-* + *. ]"
1 29 ASN 1.829 0.498 2 0 "[ . 1 . ]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 31 LEU 18.341 0.606 12 4 "[ . *-1 + * ]"
1 32 ARG 7.786 0.589 3 2 "[ + . -1 . ]"
1 33 SER 9.553 0.871 1 5 "[+ **. * -. ]"
1 34 MET 22.694 0.871 1 6 "[+ **. - * *. ]"
1 35 LEU 27.866 0.997 2 7 "[ + .* -*1 * **]"
1 36 ALA 14.360 0.605 12 2 "[ . -1 + . ]"
1 37 THR 3.286 0.514 14 1 "[ . 1 +. ]"
1 38 ALA 2.011 0.430 2 0 "[ . 1 . ]"
1 39 LEU 18.486 0.605 12 2 "[ . 1 + .-]"
1 40 GLU 0.698 0.239 8 0 "[ . 1 . ]"
1 41 LYS 5.371 0.514 14 1 "[ . 1 +. ]"
1 42 ASP 5.795 0.497 9 0 "[ . 1 . ]"
1 43 ILE 29.200 0.700 12 11 "[** .******+* .-]"
1 44 SER 7.602 0.700 12 5 "[ .* 1*+* .-]"
1 45 GLN 1.177 0.186 1 0 "[ . 1 . ]"
1 46 GLU 9.668 0.619 16 4 "[ . * -1 *.+]"
1 47 GLU 32.712 0.901 3 13 "[**+*. **-*****.*]"
1 48 ARG 5.127 0.607 9 1 "[ . +1 . ]"
1 49 ASN 18.080 0.569 12 6 "[- * .** *1 + . ]"
1 50 ALA 37.190 0.626 10 12 "[ *- .****+* ****]"
1 51 LEU 22.633 0.593 7 9 "[ *. +* -****.*]"
1 52 ASN 15.628 0.518 16 1 "[ . 1 .+]"
1 53 ILE 16.538 0.569 12 7 "[* - .** *1*+ . ]"
1 54 ALA 18.145 0.997 2 5 "[ + .* -1 *.*]"
1 55 GLU 6.199 0.599 12 1 "[ . 1 + . ]"
1 56 LYS 4.810 0.855 1 3 "[+ . * - ]"
1 57 ALA 21.837 0.753 7 12 "[* ****+-**** *. ]"
1 58 LEU 17.399 0.622 13 9 "[* *** 1**+ *-]"
1 59 ASP 4.208 0.855 1 1 "[+ . 1 . ]"
1 60 ASN 1.227 0.486 12 0 "[ . 1 . ]"
1 61 SER 0.880 0.330 1 0 "[ . 1 . ]"
1 62 GLU 17.437 0.743 16 11 "[* ***-*1** **+]"
1 63 TYR 42.090 0.753 7 15 "[* ****+****-****]"
1 64 LEU 10.362 0.750 10 4 "[ .-* + *. ]"
1 66 LYS 22.685 0.936 13 16 [***********-+***]
1 67 ILE 27.251 0.828 2 16 [*+*****-********]
1 68 ILE 30.196 0.722 12 14 "[*********1*+**- ]"
1 69 LEU 6.382 0.936 13 1 "[ . 1 + . ]"
1 70 ASN 6.244 0.621 14 4 "[ * . -1 +.*]"
1 71 LEU 11.242 0.722 12 4 "[* . * 1 + .-]"
1 72 ARG 10.063 0.500 5 0 "[ . 1 . ]"
1 73 LYS 9.920 0.647 15 12 "[* *******1*- *+ ]"
1 74 ALA 9.228 0.559 9 1 "[ . +1 . ]"
1 75 LEU 20.134 0.578 9 6 "[ *.** +- * . ]"
1 76 THR 11.443 0.539 14 2 "[ . 1 +- ]"
1 77 PRO 4.157 0.430 3 0 "[ . 1 . ]"
1 78 LEU 48.133 0.901 3 12 "[ *+*.* **-***** ]"
1 79 ALA 4.371 0.391 7 0 "[ . 1 . ]"
1 80 ILE 0.392 0.173 16 0 "[ . 1 . ]"
1 81 ASN 12.347 0.683 5 6 "[*- +* * * . ]"
1 82 ARG 2.056 0.207 13 0 "[ . 1 . ]"
1 83 THR 13.005 0.683 5 8 "[*- +* * * **. ]"
1 84 LEU 9.808 0.461 6 0 "[ . 1 . ]"
1 85 ASN 10.801 0.492 15 0 "[ . 1 . ]"
1 86 HIS 0.185 0.077 11 0 "[ . 1 . ]"
1 87 ASP 0.593 0.345 10 0 "[ . 1 . ]"
1 88 LEU 14.203 0.521 9 1 "[ . +1 . ]"
1 89 SER 0.885 0.151 3 0 "[ . 1 . ]"
1 90 GLU 8.902 0.640 5 5 "[- *+ *1 * . ]"
1 91 LEU 7.253 0.582 14 2 "[ . - 1 +. ]"
1 92 TYR 19.771 0.545 9 3 "[ * . +- . ]"
1 93 LYS 0.645 0.151 3 0 "[ . 1 . ]"
1 94 PHE 2.553 0.498 10 0 "[ . 1 . ]"
1 95 ILE 14.241 0.500 5 0 "[ . 1 . ]"
1 96 THR 26.795 0.545 9 7 "[ ** . +* ** - ]"
1 97 SER 2.214 0.696 12 2 "[ . - 1 + . ]"
1 100 ALA 12.661 0.809 1 9 "[+ *.*- **** * ]"
1 105 LEU 14.787 0.809 1 9 "[+ *.-* **** * ]"
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 14 ILE H 1 14 ILE HB . . 4.140 3.418 2.626 4.193 0.053 5 0 "[ . 1 . ]" 1
2 1 14 ILE H 1 14 ILE HG12 . . 4.880 4.029 3.375 4.663 . 0 0 "[ . 1 . ]" 1
3 1 14 ILE H 1 14 ILE QG . . 4.180 3.606 3.217 4.248 0.068 6 0 "[ . 1 . ]" 1
4 1 14 ILE H 1 14 ILE HG13 . . 4.880 4.257 3.542 4.906 0.026 8 0 "[ . 1 . ]" 1
5 1 14 ILE H 1 15 GLU H . . 5.180 4.017 3.526 4.590 . 0 0 "[ . 1 . ]" 1
6 1 14 ILE HA 1 14 ILE MG . . 3.680 2.759 2.333 3.282 . 0 0 "[ . 1 . ]" 1
7 1 14 ILE HB 1 15 GLU H . . 4.850 3.993 3.279 4.557 . 0 0 "[ . 1 . ]" 1
8 1 14 ILE QG 1 14 ILE MG . . 3.320 2.445 2.222 2.514 . 0 0 "[ . 1 . ]" 1
9 1 14 ILE MG 1 15 GLU H . . 4.510 3.661 3.033 4.330 . 0 0 "[ . 1 . ]" 1
10 1 15 GLU H 1 15 GLU QG . . 4.630 3.521 3.002 4.306 . 0 0 "[ . 1 . ]" 1
11 1 15 GLU HA 1 15 GLU QG . . 3.540 2.830 2.402 3.436 . 0 0 "[ . 1 . ]" 1
12 1 24 GLN HA 1 25 ILE HB . . 4.790 4.527 4.290 4.932 0.142 8 0 "[ . 1 . ]" 1
13 1 24 GLN HA 1 25 ILE MD . . 3.800 3.509 3.107 4.355 0.555 10 1 "[ . + . ]" 1
14 1 24 GLN QB 1 25 ILE H . . 3.690 3.309 3.093 3.557 . 0 0 "[ . 1 . ]" 1
15 1 24 GLN QB 1 26 GLU H . . 3.660 3.801 3.268 4.137 0.477 13 0 "[ . 1 . ]" 1
16 1 24 GLN QB 1 27 PHE H . . 3.690 2.878 2.558 3.396 . 0 0 "[ . 1 . ]" 1
17 1 24 GLN HB2 1 25 ILE H . . 4.540 4.194 3.508 4.472 . 0 0 "[ . 1 . ]" 1
18 1 24 GLN HB3 1 25 ILE H . . 4.540 3.538 3.183 4.373 . 0 0 "[ . 1 . ]" 1
19 1 25 ILE H 1 25 ILE HB . . 3.360 2.395 2.229 2.679 . 0 0 "[ . 1 . ]" 1
20 1 25 ILE H 1 25 ILE MD . . 4.260 2.643 2.450 3.367 . 0 0 "[ . 1 . ]" 1
21 1 25 ILE H 1 25 ILE HG12 . . 4.050 3.910 2.453 4.197 0.147 1 0 "[ . 1 . ]" 1
22 1 25 ILE H 1 25 ILE QG . . 3.390 3.544 2.427 3.758 0.368 1 0 "[ . 1 . ]" 1
23 1 25 ILE H 1 25 ILE HG13 . . 4.050 4.157 3.845 4.267 0.217 2 0 "[ . 1 . ]" 1
24 1 25 ILE H 1 25 ILE MG . . 3.930 3.754 3.652 3.883 . 0 0 "[ . 1 . ]" 1
25 1 25 ILE H 1 26 GLU H . . 3.750 2.470 2.271 2.846 . 0 0 "[ . 1 . ]" 1
26 1 25 ILE HA 1 25 ILE MD . . 4.070 2.589 2.294 2.779 . 0 0 "[ . 1 . ]" 1
27 1 25 ILE HA 1 25 ILE HG12 . . 4.240 3.751 3.192 3.845 . 0 0 "[ . 1 . ]" 1
28 1 25 ILE HA 1 25 ILE QG . . 3.700 2.732 2.645 3.180 . 0 0 "[ . 1 . ]" 1
29 1 25 ILE HA 1 25 ILE HG13 . . 4.240 2.875 2.699 3.884 . 0 0 "[ . 1 . ]" 1
30 1 25 ILE HA 1 25 ILE MG . . 3.490 2.691 2.454 2.820 . 0 0 "[ . 1 . ]" 1
31 1 25 ILE HA 1 28 GLU H . . 4.310 4.022 3.667 4.383 0.073 13 0 "[ . 1 . ]" 1
32 1 25 ILE HA 1 28 GLU QB . . 4.110 3.113 2.662 3.689 . 0 0 "[ . 1 . ]" 1
33 1 25 ILE HA 1 29 ASN H . . 4.600 4.125 3.877 4.340 . 0 0 "[ . 1 . ]" 1
34 1 25 ILE HB 1 25 ILE MD . . 3.460 2.692 2.561 3.306 . 0 0 "[ . 1 . ]" 1
35 1 25 ILE HB 1 26 GLU H . . 3.890 2.698 2.476 3.145 . 0 0 "[ . 1 . ]" 1
36 1 25 ILE QG 1 25 ILE MG . . 3.160 2.169 2.137 2.283 . 0 0 "[ . 1 . ]" 1
37 1 25 ILE QG 1 26 GLU H . . 4.730 4.533 4.022 4.835 0.105 7 0 "[ . 1 . ]" 1
38 1 25 ILE HG12 1 25 ILE MG . . 3.680 2.510 2.371 3.247 . 0 0 "[ . 1 . ]" 1
39 1 25 ILE HG13 1 25 ILE MG . . 3.680 2.416 2.320 2.464 . 0 0 "[ . 1 . ]" 1
40 1 25 ILE MG 1 26 GLU H . . 4.110 3.053 2.754 3.476 . 0 0 "[ . 1 . ]" 1
41 1 25 ILE MG 1 26 GLU QB . . 4.970 3.884 3.563 4.309 . 0 0 "[ . 1 . ]" 1
42 1 25 ILE MG 1 28 GLU QB . . 4.710 4.562 3.797 5.036 0.326 11 0 "[ . 1 . ]" 1
43 1 25 ILE MG 1 29 ASN H . . 4.910 4.289 3.638 4.517 . 0 0 "[ . 1 . ]" 1
44 1 25 ILE MG 1 29 ASN QD . . 3.930 3.247 2.400 4.428 0.498 2 0 "[ . 1 . ]" 1
45 1 26 GLU H 1 26 GLU QB . . 3.650 2.318 2.197 2.560 . 0 0 "[ . 1 . ]" 1
46 1 26 GLU HA 1 29 ASN H . . 4.430 3.740 3.548 4.102 . 0 0 "[ . 1 . ]" 1
47 1 26 GLU HA 1 29 ASN QD . . 4.800 3.890 3.405 4.577 . 0 0 "[ . 1 . ]" 1
48 1 27 PHE H 1 27 PHE HB2 . . 3.700 2.412 2.290 2.664 . 0 0 "[ . 1 . ]" 1
49 1 27 PHE H 1 27 PHE HB3 . . 3.700 2.770 2.544 2.938 . 0 0 "[ . 1 . ]" 1
50 1 27 PHE H 1 27 PHE QD . . 4.700 4.194 4.090 4.302 . 0 0 "[ . 1 . ]" 1
51 1 27 PHE H 1 28 GLU H . . 3.880 2.634 2.453 2.782 . 0 0 "[ . 1 . ]" 1
52 1 27 PHE HA 1 27 PHE QD . . 4.200 2.999 2.743 3.220 . 0 0 "[ . 1 . ]" 1
53 1 27 PHE HA 1 30 GLU H . . 4.430 3.630 3.177 4.012 . 0 0 "[ . 1 . ]" 1
54 1 27 PHE QB 1 28 GLU H . . 3.490 2.690 2.549 2.911 . 0 0 "[ . 1 . ]" 1
55 1 27 PHE QB 1 105 LEU QD . . 4.850 4.451 3.814 5.284 0.434 13 0 "[ . 1 . ]" 1
56 1 27 PHE HB2 1 28 GLU H . . 4.000 3.813 3.595 3.961 . 0 0 "[ . 1 . ]" 1
57 1 27 PHE HB3 1 28 GLU H . . 4.000 2.752 2.584 3.005 . 0 0 "[ . 1 . ]" 1
58 1 27 PHE QD 1 28 GLU H . . 4.540 4.005 3.332 4.364 . 0 0 "[ . 1 . ]" 1
59 1 27 PHE QD 1 31 LEU QD . . 4.340 3.676 3.238 4.156 . 0 0 "[ . 1 . ]" 1
60 1 27 PHE QD 1 64 LEU QD . . 3.480 3.223 2.815 3.715 0.235 1 0 "[ . 1 . ]" 1
61 1 27 PHE QD 1 100 ALA MB . . 5.120 4.297 3.631 5.095 . 0 0 "[ . 1 . ]" 1
62 1 27 PHE QD 1 105 LEU QD . . 4.190 4.292 3.771 4.708 0.518 4 1 "[ +. 1 . ]" 1
63 1 27 PHE QE 1 31 LEU QD . . 3.910 3.047 2.968 3.469 . 0 0 "[ . 1 . ]" 1
64 1 27 PHE QE 1 64 LEU QD . . 4.300 3.797 3.739 3.870 . 0 0 "[ . 1 . ]" 1
65 1 27 PHE QE 1 68 ILE MD . . 3.930 2.531 2.290 3.027 . 0 0 "[ . 1 . ]" 1
66 1 27 PHE QE 1 68 ILE MG . . 4.950 4.619 4.201 5.414 0.464 1 0 "[ . 1 . ]" 1
67 1 27 PHE QE 1 95 ILE MG . . 4.410 3.455 2.892 4.444 0.034 1 0 "[ . 1 . ]" 1
68 1 27 PHE QE 1 100 ALA HA . . 4.580 4.341 3.210 5.149 0.569 7 2 "[ . + 1- . ]" 1
69 1 27 PHE QE 1 100 ALA MB . . 3.790 2.748 2.216 3.674 . 0 0 "[ . 1 . ]" 1
70 1 27 PHE QE 1 105 LEU QD . . 4.930 4.214 3.523 4.903 . 0 0 "[ . 1 . ]" 1
71 1 27 PHE HZ 1 100 ALA MB . . 3.780 2.361 2.116 3.189 . 0 0 "[ . 1 . ]" 1
72 1 28 GLU H 1 28 GLU HB2 . . 3.610 2.524 2.251 2.692 . 0 0 "[ . 1 . ]" 1
73 1 28 GLU H 1 28 GLU HB3 . . 3.610 2.956 2.512 3.648 0.038 4 0 "[ . 1 . ]" 1
74 1 28 GLU H 1 28 GLU QG . . 4.290 3.572 2.711 4.103 . 0 0 "[ . 1 . ]" 1
75 1 28 GLU H 1 29 ASN H . . 3.860 2.602 2.430 2.738 . 0 0 "[ . 1 . ]" 1
76 1 28 GLU H 1 30 GLU H . . 4.610 4.107 3.908 4.346 . 0 0 "[ . 1 . ]" 1
77 1 28 GLU H 1 64 LEU QD . . 4.480 4.617 4.126 5.076 0.596 14 2 "[ . - +. ]" 1
78 1 28 GLU HA 1 31 LEU H . . 4.360 3.631 3.162 3.966 . 0 0 "[ . 1 . ]" 1
79 1 28 GLU HA 1 31 LEU QB . . 4.440 2.879 2.739 2.970 . 0 0 "[ . 1 . ]" 1
80 1 28 GLU QB 1 29 ASN H . . 3.510 2.689 2.579 2.847 . 0 0 "[ . 1 . ]" 1
81 1 28 GLU QB 1 64 LEU QD . . 4.370 3.637 2.867 4.608 0.238 13 0 "[ . 1 . ]" 1
82 1 28 GLU HB2 1 29 ASN H . . 4.100 3.535 2.777 4.033 . 0 0 "[ . 1 . ]" 1
83 1 28 GLU HB3 1 29 ASN H . . 4.100 3.006 2.617 3.573 . 0 0 "[ . 1 . ]" 1
84 1 28 GLU QG 1 29 ASN H . . 5.040 4.008 3.629 4.450 . 0 0 "[ . 1 . ]" 1
85 1 28 GLU QG 1 58 LEU QD . . 3.990 3.536 2.393 4.380 0.390 14 0 "[ . 1 . ]" 1
86 1 28 GLU QG 1 64 LEU QD . . 3.430 3.129 2.842 3.906 0.476 10 0 "[ . 1 . ]" 1
87 1 28 GLU HG2 1 64 LEU QD . . 4.400 4.036 3.081 5.150 0.750 10 3 "[ .-* + . ]" 1
88 1 28 GLU HG3 1 64 LEU QD . . 4.400 3.330 3.002 4.046 . 0 0 "[ . 1 . ]" 1
89 1 29 ASN H 1 29 ASN HB2 . . 3.850 2.503 2.371 2.708 . 0 0 "[ . 1 . ]" 1
90 1 29 ASN H 1 29 ASN QB . . 3.280 2.376 2.290 2.456 . 0 0 "[ . 1 . ]" 1
91 1 29 ASN H 1 29 ASN HB3 . . 3.850 3.312 2.470 3.674 . 0 0 "[ . 1 . ]" 1
92 1 29 ASN H 1 29 ASN QD . . 5.070 4.274 3.820 4.576 . 0 0 "[ . 1 . ]" 1
93 1 29 ASN H 1 30 GLU H . . 3.630 2.683 2.516 2.918 . 0 0 "[ . 1 . ]" 1
94 1 29 ASN H 1 31 LEU H . . 4.540 4.281 4.025 4.608 0.068 4 0 "[ . 1 . ]" 1
95 1 29 ASN HA 1 29 ASN QD . . 4.230 3.924 3.769 4.169 . 0 0 "[ . 1 . ]" 1
96 1 29 ASN HA 1 32 ARG H . . 4.640 3.967 3.655 4.293 . 0 0 "[ . 1 . ]" 1
97 1 29 ASN HA 1 32 ARG QB . . 4.440 3.093 2.786 3.595 . 0 0 "[ . 1 . ]" 1
98 1 29 ASN QB 1 30 GLU H . . 3.550 2.702 2.583 2.851 . 0 0 "[ . 1 . ]" 1
99 1 29 ASN HB2 1 30 GLU H . . 4.100 3.177 2.757 4.019 . 0 0 "[ . 1 . ]" 1
100 1 29 ASN HB3 1 30 GLU H . . 4.100 3.300 2.628 3.733 . 0 0 "[ . 1 . ]" 1
101 1 30 GLU H 1 30 GLU HB2 . . 3.760 2.463 2.294 2.739 . 0 0 "[ . 1 . ]" 1
102 1 30 GLU H 1 30 GLU QB . . 3.150 2.305 2.219 2.381 . 0 0 "[ . 1 . ]" 1
103 1 30 GLU H 1 30 GLU HB3 . . 3.760 3.060 2.474 3.638 . 0 0 "[ . 1 . ]" 1
104 1 30 GLU H 1 30 GLU QG . . 4.330 3.466 2.678 4.137 . 0 0 "[ . 1 . ]" 1
105 1 30 GLU H 1 31 LEU H . . 3.610 2.572 2.429 2.730 . 0 0 "[ . 1 . ]" 1
106 1 30 GLU HA 1 30 GLU QG . . 3.590 2.647 2.357 3.003 . 0 0 "[ . 1 . ]" 1
107 1 30 GLU HB2 1 31 LEU H . . 3.990 3.342 2.634 3.949 . 0 0 "[ . 1 . ]" 1
108 1 30 GLU HB3 1 31 LEU H . . 3.990 3.012 2.575 3.746 . 0 0 "[ . 1 . ]" 1
109 1 31 LEU H 1 31 LEU HB2 . . 4.120 2.798 2.640 2.930 . 0 0 "[ . 1 . ]" 1
110 1 31 LEU H 1 31 LEU QB . . 3.490 2.383 2.356 2.423 . 0 0 "[ . 1 . ]" 1
111 1 31 LEU H 1 31 LEU HB3 . . 4.120 2.589 2.521 2.690 . 0 0 "[ . 1 . ]" 1
112 1 31 LEU H 1 31 LEU QD . . 4.490 4.005 3.919 4.054 . 0 0 "[ . 1 . ]" 1
113 1 31 LEU H 1 31 LEU HG . . 4.630 4.637 4.572 4.724 0.094 16 0 "[ . 1 . ]" 1
114 1 31 LEU H 1 32 ARG H . . 4.060 2.642 2.561 2.777 . 0 0 "[ . 1 . ]" 1
115 1 31 LEU H 1 33 SER H . . 5.160 4.030 3.865 4.198 . 0 0 "[ . 1 . ]" 1
116 1 31 LEU H 1 94 PHE QE . . 4.950 3.577 3.396 3.948 . 0 0 "[ . 1 . ]" 1
117 1 31 LEU HA 1 31 LEU QD . . 3.280 2.961 2.733 3.232 . 0 0 "[ . 1 . ]" 1
118 1 31 LEU HA 1 34 MET H . . 4.350 3.810 3.529 4.047 . 0 0 "[ . 1 . ]" 1
119 1 31 LEU HA 1 34 MET ME . . 4.200 3.134 2.565 4.667 0.467 10 0 "[ . 1 . ]" 1
120 1 31 LEU QB 1 32 ARG H . . 3.620 2.647 2.360 3.044 . 0 0 "[ . 1 . ]" 1
121 1 31 LEU QD 1 32 ARG H . . 4.200 3.509 3.358 3.827 . 0 0 "[ . 1 . ]" 1
122 1 31 LEU QD 1 35 LEU H . . 4.300 4.391 3.984 4.781 0.481 11 0 "[ . 1 . ]" 1
123 1 31 LEU QD 1 35 LEU HB2 . . 4.110 3.243 2.786 3.675 . 0 0 "[ . 1 . ]" 1
124 1 31 LEU QD 1 35 LEU QD . . 4.220 2.569 2.358 2.754 . 0 0 "[ . 1 . ]" 1
125 1 31 LEU QD 1 35 LEU HG . . 3.910 4.326 4.098 4.516 0.606 12 3 "[ . - 1 + * ]" 1
126 1 31 LEU QD 1 64 LEU QD . . 4.270 3.219 2.720 4.082 . 0 0 "[ . 1 . ]" 1
127 1 31 LEU QD 1 68 ILE MD . . 3.500 3.643 3.086 3.953 0.453 4 0 "[ . 1 . ]" 1
128 1 31 LEU QD 1 68 ILE QG . . 3.650 3.171 2.565 3.435 . 0 0 "[ . 1 . ]" 1
129 1 31 LEU QD 1 94 PHE QD . . 3.970 2.919 2.473 3.711 . 0 0 "[ . 1 . ]" 1
130 1 31 LEU QD 1 94 PHE QE . . 3.810 3.094 2.364 4.050 0.240 12 0 "[ . 1 . ]" 1
131 1 31 LEU QD 1 95 ILE HA . . 4.700 4.442 3.833 5.023 0.323 12 0 "[ . 1 . ]" 1
132 1 31 LEU QD 1 95 ILE MG . . 3.030 2.223 2.153 2.307 . 0 0 "[ . 1 . ]" 1
133 1 31 LEU HG 1 32 ARG H . . 4.930 4.098 3.535 4.752 . 0 0 "[ . 1 . ]" 1
134 1 31 LEU HG 1 32 ARG HA . . 4.350 4.040 3.204 4.852 0.502 9 1 "[ . +1 . ]" 1
135 1 31 LEU HG 1 35 LEU H . . 5.460 4.677 4.375 5.141 . 0 0 "[ . 1 . ]" 1
136 1 31 LEU HG 1 35 LEU QD . . 3.760 3.326 2.704 4.057 0.297 12 0 "[ . 1 . ]" 1
137 1 31 LEU HG 1 95 ILE MG . . 5.150 4.346 3.748 4.851 . 0 0 "[ . 1 . ]" 1
138 1 32 ARG H 1 32 ARG QB . . 3.540 2.241 2.129 2.506 . 0 0 "[ . 1 . ]" 1
139 1 32 ARG H 1 32 ARG QG . . 4.570 3.858 2.835 4.100 . 0 0 "[ . 1 . ]" 1
140 1 32 ARG H 1 33 SER H . . 3.830 2.557 2.370 2.876 . 0 0 "[ . 1 . ]" 1
141 1 32 ARG H 1 58 LEU QD . . 5.330 4.752 4.232 5.534 0.204 16 0 "[ . 1 . ]" 1
142 1 32 ARG HA 1 35 LEU H . . 4.260 3.443 3.147 3.844 . 0 0 "[ . 1 . ]" 1
143 1 32 ARG HA 1 35 LEU HB3 . . 4.220 2.684 2.360 3.044 . 0 0 "[ . 1 . ]" 1
144 1 32 ARG HA 1 35 LEU QD . . 3.470 3.316 3.045 3.703 0.233 1 0 "[ . 1 . ]" 1
145 1 32 ARG HA 1 36 ALA H . . 4.670 3.981 3.723 4.242 . 0 0 "[ . 1 . ]" 1
146 1 32 ARG QB 1 33 SER H . . 3.550 2.874 2.789 3.060 . 0 0 "[ . 1 . ]" 1
147 1 32 ARG QB 1 36 ALA MB . . 4.840 4.831 4.204 5.168 0.328 14 0 "[ . 1 . ]" 1
148 1 32 ARG QB 1 58 LEU QD . . 4.390 3.415 2.910 4.760 0.370 16 0 "[ . 1 . ]" 1
149 1 32 ARG QD 1 58 LEU QD . . 3.830 3.021 2.242 4.419 0.589 3 1 "[ + . 1 . ]" 1
150 1 32 ARG QG 1 33 SER H . . 4.690 4.141 3.511 4.686 . 0 0 "[ . 1 . ]" 1
151 1 32 ARG QG 1 36 ALA MB . . 5.340 4.111 3.689 5.789 0.449 1 0 "[ . 1 . ]" 1
152 1 32 ARG QG 1 58 LEU QD . . 4.330 3.194 2.707 4.697 0.367 7 0 "[ . 1 . ]" 1
153 1 33 SER H 1 33 SER QB . . 3.000 2.281 2.250 2.413 . 0 0 "[ . 1 . ]" 1
154 1 33 SER H 1 34 MET H . . 3.590 2.672 2.512 2.947 . 0 0 "[ . 1 . ]" 1
155 1 33 SER H 1 35 LEU H . . 4.860 3.871 3.665 3.990 . 0 0 "[ . 1 . ]" 1
156 1 33 SER HA 1 36 ALA H . . 4.450 3.603 3.373 3.882 . 0 0 "[ . 1 . ]" 1
157 1 33 SER HA 1 36 ALA MB . . 4.010 2.769 2.554 3.037 . 0 0 "[ . 1 . ]" 1
158 1 33 SER HA 1 37 THR H . . 4.860 4.427 4.114 4.772 . 0 0 "[ . 1 . ]" 1
159 1 33 SER QB 1 34 MET H . . 3.450 2.545 2.358 2.798 . 0 0 "[ . 1 . ]" 1
160 1 33 SER QB 1 34 MET QB . . 4.060 4.413 3.934 4.542 0.482 9 0 "[ . 1 . ]" 1
161 1 33 SER QB 1 34 MET ME . . 5.050 5.012 4.177 5.921 0.871 1 5 "[+ **. * -. ]" 1
162 1 33 SER QB 1 34 MET QG . . 4.710 3.615 3.190 4.758 0.048 12 0 "[ . 1 . ]" 1
163 1 34 MET H 1 34 MET HB2 . . 3.920 2.600 2.476 3.766 . 0 0 "[ . 1 . ]" 1
164 1 34 MET H 1 34 MET QB . . 3.290 2.498 2.437 2.751 . 0 0 "[ . 1 . ]" 1
165 1 34 MET H 1 34 MET HB3 . . 3.920 3.623 2.828 3.726 . 0 0 "[ . 1 . ]" 1
166 1 34 MET H 1 34 MET ME . . 4.490 3.981 3.357 4.819 0.329 1 0 "[ . 1 . ]" 1
167 1 34 MET H 1 34 MET HG2 . . 4.030 3.742 2.509 4.174 0.144 13 0 "[ . 1 . ]" 1
168 1 34 MET H 1 34 MET QG . . 3.430 2.742 2.447 3.481 0.051 12 0 "[ . 1 . ]" 1
169 1 34 MET H 1 34 MET HG3 . . 4.030 2.883 2.576 3.811 . 0 0 "[ . 1 . ]" 1
170 1 34 MET H 1 35 LEU H . . 3.690 2.488 2.336 2.768 . 0 0 "[ . 1 . ]" 1
171 1 34 MET H 1 91 LEU QD . . 4.180 4.333 3.751 4.762 0.582 14 1 "[ . 1 +. ]" 1
172 1 34 MET HA 1 34 MET HG2 . . 4.040 3.001 2.572 3.926 . 0 0 "[ . 1 . ]" 1
173 1 34 MET HA 1 34 MET QG . . 3.400 2.580 2.488 3.449 0.049 14 0 "[ . 1 . ]" 1
174 1 34 MET HA 1 34 MET HG3 . . 4.040 3.059 2.530 3.821 . 0 0 "[ . 1 . ]" 1
175 1 34 MET QB 1 34 MET ME . . 3.180 2.223 1.908 3.547 0.367 14 0 "[ . 1 . ]" 1
176 1 34 MET QB 1 35 LEU H . . 4.070 2.919 2.613 3.792 . 0 0 "[ . 1 . ]" 1
177 1 34 MET QB 1 91 LEU QD . . 3.660 2.466 2.130 3.628 . 0 0 "[ . 1 . ]" 1
178 1 34 MET ME 1 34 MET HG2 . . 3.620 2.887 2.308 3.440 . 0 0 "[ . 1 . ]" 1
179 1 34 MET ME 1 34 MET QG . . 3.020 2.431 2.220 2.528 . 0 0 "[ . 1 . ]" 1
180 1 34 MET ME 1 34 MET HG3 . . 3.620 2.946 2.444 3.412 . 0 0 "[ . 1 . ]" 1
181 1 34 MET ME 1 35 LEU H . . 5.500 4.707 4.224 5.723 0.223 12 0 "[ . 1 . ]" 1
182 1 34 MET ME 1 90 GLU QB . . 3.680 3.757 3.092 4.133 0.453 5 0 "[ . 1 . ]" 1
183 1 34 MET ME 1 91 LEU H . . 4.060 4.161 3.571 4.565 0.505 7 1 "[ . + 1 . ]" 1
184 1 34 MET ME 1 91 LEU HA . . 3.490 2.468 2.031 3.134 . 0 0 "[ . 1 . ]" 1
185 1 34 MET ME 1 91 LEU QD . . 3.300 2.354 1.867 3.404 0.104 12 0 "[ . 1 . ]" 1
186 1 34 MET ME 1 94 PHE H . . 4.760 4.337 4.044 4.719 . 0 0 "[ . 1 . ]" 1
187 1 34 MET ME 1 94 PHE QB . . 3.350 2.388 2.068 2.715 . 0 0 "[ . 1 . ]" 1
188 1 34 MET ME 1 94 PHE QD . . 3.540 3.060 2.799 3.432 . 0 0 "[ . 1 . ]" 1
189 1 34 MET ME 1 94 PHE QE . . 4.370 3.836 3.376 4.520 0.150 10 0 "[ . 1 . ]" 1
190 1 34 MET ME 1 95 ILE MG . . 5.500 4.524 4.127 5.097 . 0 0 "[ . 1 . ]" 1
191 1 34 MET QG 1 91 LEU QD . . 4.150 3.845 2.602 4.289 0.139 5 0 "[ . 1 . ]" 1
192 1 35 LEU H 1 35 LEU HB2 . . 3.500 2.461 2.404 2.550 . 0 0 "[ . 1 . ]" 1
193 1 35 LEU H 1 35 LEU HB3 . . 3.900 2.804 2.630 2.897 . 0 0 "[ . 1 . ]" 1
194 1 35 LEU H 1 35 LEU QD . . 4.240 3.900 3.865 3.951 . 0 0 "[ . 1 . ]" 1
195 1 35 LEU H 1 35 LEU HG . . 4.470 4.533 4.472 4.608 0.138 12 0 "[ . 1 . ]" 1
196 1 35 LEU H 1 36 ALA H . . 3.740 2.525 2.393 2.654 . 0 0 "[ . 1 . ]" 1
197 1 35 LEU H 1 36 ALA MB . . 4.850 4.163 3.996 4.305 . 0 0 "[ . 1 . ]" 1
198 1 35 LEU H 1 91 LEU QD . . 3.690 3.553 3.276 3.809 0.119 6 0 "[ . 1 . ]" 1
199 1 35 LEU HA 1 35 LEU MD1 . . 4.260 3.822 3.644 3.906 . 0 0 "[ . 1 . ]" 1
200 1 35 LEU HA 1 35 LEU QD . . 3.180 2.922 2.774 3.171 . 0 0 "[ . 1 . ]" 1
201 1 35 LEU HA 1 35 LEU MD2 . . 4.260 3.047 2.838 3.470 . 0 0 "[ . 1 . ]" 1
202 1 35 LEU HA 1 35 LEU HG . . 4.200 2.608 2.581 2.658 . 0 0 "[ . 1 . ]" 1
203 1 35 LEU HA 1 38 ALA MB . . 3.610 2.399 2.113 2.683 . 0 0 "[ . 1 . ]" 1
204 1 35 LEU HA 1 51 LEU QD . . 4.460 3.067 2.848 3.600 . 0 0 "[ . 1 . ]" 1
205 1 35 LEU HA 1 91 LEU QD . . 3.930 3.013 2.358 3.985 0.055 9 0 "[ . 1 . ]" 1
206 1 35 LEU HB2 1 36 ALA H . . 3.700 3.795 3.638 3.975 0.275 12 0 "[ . 1 . ]" 1
207 1 35 LEU HB2 1 36 ALA MB . . 5.500 5.310 5.156 5.451 . 0 0 "[ . 1 . ]" 1
208 1 35 LEU HB2 1 91 LEU QD . . 4.730 3.134 3.013 3.285 . 0 0 "[ . 1 . ]" 1
209 1 35 LEU HB3 1 35 LEU MD1 . . 3.590 2.570 2.483 2.742 . 0 0 "[ . 1 . ]" 1
210 1 35 LEU HB3 1 35 LEU QD . . 3.100 2.180 2.158 2.210 . 0 0 "[ . 1 . ]" 1
211 1 35 LEU HB3 1 35 LEU MD2 . . 3.590 2.363 2.264 2.465 . 0 0 "[ . 1 . ]" 1
212 1 35 LEU HB3 1 36 ALA H . . 3.950 2.779 2.596 3.001 . 0 0 "[ . 1 . ]" 1
213 1 35 LEU HB3 1 36 ALA MB . . 3.840 4.172 3.962 4.369 0.529 9 1 "[ . +1 . ]" 1
214 1 35 LEU QD 1 36 ALA H . . 4.180 3.691 3.484 3.906 . 0 0 "[ . 1 . ]" 1
215 1 35 LEU QD 1 36 ALA HA . . 3.900 3.591 3.090 3.887 . 0 0 "[ . 1 . ]" 1
216 1 35 LEU QD 1 36 ALA MB . . 4.520 4.204 3.739 4.421 . 0 0 "[ . 1 . ]" 1
217 1 35 LEU QD 1 38 ALA H . . 4.730 4.549 4.311 4.826 0.096 12 0 "[ . 1 . ]" 1
218 1 35 LEU QD 1 51 LEU HA . . 3.490 2.872 2.569 3.365 . 0 0 "[ . 1 . ]" 1
219 1 35 LEU QD 1 51 LEU QD . . 2.980 2.280 1.927 2.598 . 0 0 "[ . 1 . ]" 1
220 1 35 LEU QD 1 54 ALA H . . 4.780 4.377 4.169 4.728 . 0 0 "[ . 1 . ]" 1
221 1 35 LEU QD 1 55 GLU H . . 4.800 3.481 3.285 4.003 . 0 0 "[ . 1 . ]" 1
222 1 35 LEU QD 1 55 GLU QG . . 5.280 3.687 2.137 3.950 . 0 0 "[ . 1 . ]" 1
223 1 35 LEU MD1 1 36 ALA H . . 4.850 4.898 4.686 5.095 0.245 9 0 "[ . 1 . ]" 1
224 1 35 LEU MD1 1 54 ALA H . . 5.500 4.682 4.310 5.051 . 0 0 "[ . 1 . ]" 1
225 1 35 LEU MD1 1 54 ALA MB . . 3.270 2.307 2.065 2.751 . 0 0 "[ . 1 . ]" 1
226 1 35 LEU MD2 1 36 ALA H . . 4.850 3.820 3.552 4.068 . 0 0 "[ . 1 . ]" 1
227 1 35 LEU MD2 1 54 ALA H . . 5.500 5.352 4.864 5.850 0.350 2 0 "[ . 1 . ]" 1
228 1 35 LEU MD2 1 54 ALA MB . . 3.270 3.514 2.706 4.267 0.997 2 4 "[ + .- *1 .*]" 1
229 1 35 LEU HG 1 36 ALA H . . 5.120 5.086 4.827 5.279 0.159 1 0 "[ . 1 . ]" 1
230 1 35 LEU HG 1 54 ALA MB . . 4.590 4.252 3.869 4.772 0.182 2 0 "[ . 1 . ]" 1
231 1 36 ALA H 1 36 ALA MB . . 3.060 2.246 2.228 2.263 . 0 0 "[ . 1 . ]" 1
232 1 36 ALA H 1 37 THR H . . 3.470 2.768 2.629 2.865 . 0 0 "[ . 1 . ]" 1
233 1 36 ALA H 1 39 LEU QD . . 5.270 4.374 3.996 5.035 . 0 0 "[ . 1 . ]" 1
234 1 36 ALA HA 1 39 LEU H . . 4.000 3.487 3.301 3.671 . 0 0 "[ . 1 . ]" 1
235 1 36 ALA HA 1 39 LEU QB . . 4.430 3.097 2.966 3.511 . 0 0 "[ . 1 . ]" 1
236 1 36 ALA HA 1 39 LEU QD . . 3.440 2.505 2.001 3.482 0.042 6 0 "[ . 1 . ]" 1
237 1 36 ALA MB 1 37 THR H . . 3.300 2.405 2.307 2.563 . 0 0 "[ . 1 . ]" 1
238 1 36 ALA MB 1 37 THR MG . . 4.870 4.950 4.836 5.080 0.210 1 0 "[ . 1 . ]" 1
239 1 36 ALA MB 1 38 ALA H . . 4.510 4.451 4.326 4.546 0.036 5 0 "[ . 1 . ]" 1
240 1 36 ALA MB 1 39 LEU QD . . 3.950 3.646 3.229 4.555 0.605 12 1 "[ . 1 + . ]" 1
241 1 37 THR H 1 37 THR HB . . 3.090 2.613 2.548 2.711 . 0 0 "[ . 1 . ]" 1
242 1 37 THR H 1 37 THR MG . . 3.890 3.787 3.761 3.811 . 0 0 "[ . 1 . ]" 1
243 1 37 THR H 1 38 ALA H . . 3.170 2.710 2.590 2.799 . 0 0 "[ . 1 . ]" 1
244 1 37 THR H 1 38 ALA MB . . 4.660 4.382 4.263 4.464 . 0 0 "[ . 1 . ]" 1
245 1 37 THR HA 1 37 THR MG . . 3.210 2.440 2.401 2.486 . 0 0 "[ . 1 . ]" 1
246 1 37 THR HA 1 40 GLU H . . 4.130 3.547 3.303 3.800 . 0 0 "[ . 1 . ]" 1
247 1 37 THR HA 1 40 GLU QG . . 4.600 3.334 2.887 4.004 . 0 0 "[ . 1 . ]" 1
248 1 37 THR HB 1 38 ALA H . . 3.880 2.592 2.431 2.747 . 0 0 "[ . 1 . ]" 1
249 1 37 THR MG 1 38 ALA H . . 3.920 3.611 3.470 3.821 . 0 0 "[ . 1 . ]" 1
250 1 37 THR MG 1 38 ALA HA . . 4.400 3.697 3.459 3.998 . 0 0 "[ . 1 . ]" 1
251 1 37 THR MG 1 41 LYS QD . . 4.570 3.855 3.129 4.310 . 0 0 "[ . 1 . ]" 1
252 1 37 THR MG 1 41 LYS HE2 . . 3.960 3.465 2.601 4.474 0.514 14 1 "[ . 1 +. ]" 1
253 1 37 THR MG 1 41 LYS QE . . 3.180 2.819 2.502 3.579 0.399 10 0 "[ . 1 . ]" 1
254 1 37 THR MG 1 41 LYS HE3 . . 3.960 3.262 2.531 4.129 0.169 10 0 "[ . 1 . ]" 1
255 1 37 THR MG 1 41 LYS QG . . 3.430 2.521 2.180 2.774 . 0 0 "[ . 1 . ]" 1
256 1 38 ALA H 1 38 ALA MB . . 3.070 2.244 2.212 2.273 . 0 0 "[ . 1 . ]" 1
257 1 38 ALA H 1 39 LEU H . . 3.530 2.686 2.594 2.774 . 0 0 "[ . 1 . ]" 1
258 1 38 ALA H 1 40 GLU H . . 4.590 4.078 3.856 4.320 . 0 0 "[ . 1 . ]" 1
259 1 38 ALA H 1 51 LEU QD . . 4.540 4.383 4.154 4.754 0.214 2 0 "[ . 1 . ]" 1
260 1 38 ALA H 1 88 LEU QD . . 5.440 4.302 4.032 5.092 . 0 0 "[ . 1 . ]" 1
261 1 38 ALA HA 1 41 LYS H . . 3.860 3.126 2.879 3.562 . 0 0 "[ . 1 . ]" 1
262 1 38 ALA HA 1 41 LYS QG . . 4.040 2.809 2.507 3.753 . 0 0 "[ . 1 . ]" 1
263 1 38 ALA HA 1 43 ILE MG . . 4.420 3.486 2.958 4.094 . 0 0 "[ . 1 . ]" 1
264 1 38 ALA HA 1 51 LEU QD . . 4.350 4.288 3.898 4.780 0.430 2 0 "[ . 1 . ]" 1
265 1 38 ALA HA 1 88 LEU QD . . 3.770 3.098 2.677 3.921 0.151 5 0 "[ . 1 . ]" 1
266 1 38 ALA MB 1 39 LEU H . . 3.510 2.871 2.567 3.045 . 0 0 "[ . 1 . ]" 1
267 1 38 ALA MB 1 39 LEU QD . . 4.370 3.678 2.896 3.953 . 0 0 "[ . 1 . ]" 1
268 1 38 ALA MB 1 39 LEU HG . . 5.370 3.976 3.761 5.400 0.030 12 0 "[ . 1 . ]" 1
269 1 38 ALA MB 1 40 GLU H . . 4.880 4.578 4.341 4.728 . 0 0 "[ . 1 . ]" 1
270 1 38 ALA MB 1 41 LYS H . . 4.980 4.410 4.260 4.704 . 0 0 "[ . 1 . ]" 1
271 1 38 ALA MB 1 41 LYS QG . . 4.950 4.046 3.690 4.966 0.016 9 0 "[ . 1 . ]" 1
272 1 38 ALA MB 1 43 ILE MD . . 3.840 3.234 2.420 3.955 0.115 1 0 "[ . 1 . ]" 1
273 1 38 ALA MB 1 43 ILE MG . . 3.740 2.745 2.247 3.523 . 0 0 "[ . 1 . ]" 1
274 1 38 ALA MB 1 51 LEU QD . . 3.140 2.155 1.949 2.457 . 0 0 "[ . 1 . ]" 1
275 1 38 ALA MB 1 88 LEU HA . . 5.500 4.925 4.375 5.628 0.128 2 0 "[ . 1 . ]" 1
276 1 38 ALA MB 1 88 LEU QB . . 4.100 2.814 2.513 3.426 . 0 0 "[ . 1 . ]" 1
277 1 38 ALA MB 1 88 LEU QD . . 2.960 1.872 1.700 2.388 . 0 0 "[ . 1 . ]" 1
278 1 38 ALA MB 1 88 LEU HG . . 4.540 4.201 3.978 4.672 0.132 5 0 "[ . 1 . ]" 1
279 1 39 LEU H 1 39 LEU HB2 . . 3.770 2.591 2.328 2.679 . 0 0 "[ . 1 . ]" 1
280 1 39 LEU H 1 39 LEU QB . . 3.150 2.542 2.300 2.622 . 0 0 "[ . 1 . ]" 1
281 1 39 LEU H 1 39 LEU HB3 . . 3.770 3.685 3.593 3.727 . 0 0 "[ . 1 . ]" 1
282 1 39 LEU H 1 39 LEU QD . . 3.590 3.160 2.606 3.287 . 0 0 "[ . 1 . ]" 1
283 1 39 LEU H 1 39 LEU HG . . 3.940 2.613 2.429 4.214 0.274 12 0 "[ . 1 . ]" 1
284 1 39 LEU H 1 40 GLU H . . 3.480 2.521 2.461 2.610 . 0 0 "[ . 1 . ]" 1
285 1 39 LEU H 1 41 LYS H . . 4.750 3.850 3.660 3.971 . 0 0 "[ . 1 . ]" 1
286 1 39 LEU H 1 51 LEU QD . . 4.700 3.969 3.566 4.718 0.018 2 0 "[ . 1 . ]" 1
287 1 39 LEU HA 1 39 LEU QD . . 3.110 2.403 2.337 2.463 . 0 0 "[ . 1 . ]" 1
288 1 39 LEU HA 1 39 LEU HG . . 4.010 3.327 3.186 3.861 . 0 0 "[ . 1 . ]" 1
289 1 39 LEU HA 1 43 ILE MD . . 3.620 2.506 2.128 3.071 . 0 0 "[ . 1 . ]" 1
290 1 39 LEU QB 1 39 LEU QD . . 2.600 1.995 1.967 2.114 . 0 0 "[ . 1 . ]" 1
291 1 39 LEU HB2 1 40 GLU H . . 4.050 2.866 2.698 3.251 . 0 0 "[ . 1 . ]" 1
292 1 39 LEU HB3 1 40 GLU H . . 4.050 3.861 3.740 4.058 0.008 6 0 "[ . 1 . ]" 1
293 1 39 LEU QD 1 40 GLU H . . 4.800 4.244 4.156 4.391 . 0 0 "[ . 1 . ]" 1
294 1 39 LEU QD 1 43 ILE MD . . 3.600 2.576 2.071 3.036 . 0 0 "[ . 1 . ]" 1
295 1 39 LEU QD 1 48 ARG HA . . 3.760 3.876 3.027 4.238 0.478 11 0 "[ . 1 . ]" 1
296 1 39 LEU QD 1 51 LEU H . . 4.650 4.729 4.345 5.060 0.410 2 0 "[ . 1 . ]" 1
297 1 39 LEU QD 1 51 LEU QB . . 3.360 2.440 2.031 2.939 . 0 0 "[ . 1 . ]" 1
298 1 39 LEU QD 1 52 ASN H . . 3.850 4.129 3.909 4.368 0.518 16 1 "[ . 1 .+]" 1
299 1 39 LEU QD 1 52 ASN HA . . 4.220 3.726 3.393 4.062 . 0 0 "[ . 1 . ]" 1
300 1 39 LEU QD 1 52 ASN QD . . 4.160 4.261 4.206 4.504 0.344 14 0 "[ . 1 . ]" 1
301 1 39 LEU QD 1 55 GLU H . . 5.370 4.846 4.187 5.346 . 0 0 "[ . 1 . ]" 1
302 1 39 LEU QD 1 55 GLU QB . . 3.650 3.550 2.871 3.966 0.316 6 0 "[ . 1 . ]" 1
303 1 39 LEU QD 1 55 GLU QG . . 3.990 3.951 2.398 4.589 0.599 12 1 "[ . 1 + . ]" 1
304 1 39 LEU HG 1 51 LEU QD . . 4.350 3.792 3.476 4.589 0.239 12 0 "[ . 1 . ]" 1
305 1 40 GLU H 1 40 GLU HB2 . . 3.670 2.580 2.436 3.775 0.105 16 0 "[ . 1 . ]" 1
306 1 40 GLU H 1 40 GLU QB . . 3.040 2.472 2.400 2.675 . 0 0 "[ . 1 . ]" 1
307 1 40 GLU H 1 40 GLU HB3 . . 3.670 3.583 2.736 3.661 . 0 0 "[ . 1 . ]" 1
308 1 40 GLU H 1 40 GLU HG2 . . 3.740 3.041 2.330 3.751 0.011 7 0 "[ . 1 . ]" 1
309 1 40 GLU H 1 40 GLU QG . . 3.180 2.388 2.309 2.590 . 0 0 "[ . 1 . ]" 1
310 1 40 GLU H 1 40 GLU HG3 . . 3.740 3.099 2.337 3.979 0.239 8 0 "[ . 1 . ]" 1
311 1 40 GLU H 1 41 LYS H . . 3.090 2.430 2.266 2.600 . 0 0 "[ . 1 . ]" 1
312 1 40 GLU H 1 41 LYS QG . . 4.740 4.201 3.998 4.441 . 0 0 "[ . 1 . ]" 1
313 1 40 GLU HA 1 40 GLU QG . . 3.690 2.763 2.424 3.367 . 0 0 "[ . 1 . ]" 1
314 1 40 GLU QB 1 41 LYS H . . 4.340 2.985 2.860 3.812 . 0 0 "[ . 1 . ]" 1
315 1 40 GLU QG 1 41 LYS H . . 4.390 4.136 2.874 4.343 . 0 0 "[ . 1 . ]" 1
316 1 41 LYS H 1 41 LYS HB2 . . 3.770 2.433 2.342 2.536 . 0 0 "[ . 1 . ]" 1
317 1 41 LYS H 1 41 LYS QB . . 3.230 2.397 2.314 2.493 . 0 0 "[ . 1 . ]" 1
318 1 41 LYS H 1 41 LYS HB3 . . 3.770 3.625 3.598 3.682 . 0 0 "[ . 1 . ]" 1
319 1 41 LYS H 1 41 LYS QD . . 4.340 3.728 3.555 4.296 . 0 0 "[ . 1 . ]" 1
320 1 41 LYS H 1 41 LYS QG . . 3.560 2.521 2.353 2.702 . 0 0 "[ . 1 . ]" 1
321 1 41 LYS H 1 42 ASP H . . 4.660 4.615 4.533 4.654 . 0 0 "[ . 1 . ]" 1
322 1 41 LYS H 1 43 ILE MD . . 5.500 4.826 4.537 5.105 . 0 0 "[ . 1 . ]" 1
323 1 41 LYS H 1 43 ILE MG . . 5.410 4.164 4.009 4.336 . 0 0 "[ . 1 . ]" 1
324 1 41 LYS HA 1 41 LYS QD . . 3.460 2.194 1.982 3.877 0.417 9 0 "[ . 1 . ]" 1
325 1 41 LYS HA 1 42 ASP H . . 3.130 2.289 2.168 2.406 . 0 0 "[ . 1 . ]" 1
326 1 41 LYS QB 1 42 ASP H . . 3.130 2.778 2.512 3.031 . 0 0 "[ . 1 . ]" 1
327 1 41 LYS QB 1 43 ILE MG . . 3.460 2.776 2.606 3.062 . 0 0 "[ . 1 . ]" 1
328 1 41 LYS QB 1 88 LEU QD . . 4.140 3.464 2.795 4.516 0.376 2 0 "[ . 1 . ]" 1
329 1 41 LYS HB2 1 42 ASP H . . 3.850 3.963 3.654 4.143 0.293 5 0 "[ . 1 . ]" 1
330 1 41 LYS HB2 1 43 ILE MG . . 4.120 2.919 2.758 3.171 . 0 0 "[ . 1 . ]" 1
331 1 41 LYS HB3 1 42 ASP H . . 3.850 2.838 2.560 3.117 . 0 0 "[ . 1 . ]" 1
332 1 41 LYS HB3 1 43 ILE MG . . 4.120 3.486 3.207 4.041 . 0 0 "[ . 1 . ]" 1
333 1 41 LYS QD 1 42 ASP H . . 3.840 3.508 3.281 4.337 0.497 9 0 "[ . 1 . ]" 1
334 1 41 LYS QG 1 42 ASP H . . 4.930 4.439 3.836 4.626 . 0 0 "[ . 1 . ]" 1
335 1 42 ASP H 1 42 ASP HB2 . . 3.750 2.519 2.404 2.707 . 0 0 "[ . 1 . ]" 1
336 1 42 ASP H 1 42 ASP QB . . 3.040 2.438 2.268 2.569 . 0 0 "[ . 1 . ]" 1
337 1 42 ASP H 1 42 ASP HB3 . . 3.750 3.494 2.502 3.656 . 0 0 "[ . 1 . ]" 1
338 1 42 ASP H 1 43 ILE H . . 4.460 4.261 3.998 4.573 0.113 2 0 "[ . 1 . ]" 1
339 1 42 ASP H 1 43 ILE MG . . 4.310 4.412 4.118 4.629 0.319 14 0 "[ . 1 . ]" 1
340 1 42 ASP HA 1 43 ILE H . . 2.890 2.201 2.125 2.291 . 0 0 "[ . 1 . ]" 1
341 1 42 ASP HA 1 43 ILE MG . . 4.480 4.173 3.917 4.449 . 0 0 "[ . 1 . ]" 1
342 1 42 ASP HB2 1 43 ILE H . . 4.440 4.471 4.212 4.575 0.135 4 0 "[ . 1 . ]" 1
343 1 42 ASP HB3 1 43 ILE H . . 4.440 3.919 3.263 4.505 0.065 4 0 "[ . 1 . ]" 1
344 1 43 ILE H 1 43 ILE HB . . 4.210 3.757 3.674 3.846 . 0 0 "[ . 1 . ]" 1
345 1 43 ILE H 1 43 ILE MD . . 4.040 3.754 3.613 4.060 0.020 2 0 "[ . 1 . ]" 1
346 1 43 ILE H 1 43 ILE HG12 . . 3.410 2.085 1.921 2.531 . 0 0 "[ . 1 . ]" 1
347 1 43 ILE H 1 43 ILE QG . . 2.880 2.046 1.900 2.370 . 0 0 "[ . 1 . ]" 1
348 1 43 ILE H 1 43 ILE HG13 . . 3.410 3.040 2.856 3.214 . 0 0 "[ . 1 . ]" 1
349 1 43 ILE H 1 43 ILE MG . . 3.320 2.912 2.691 3.374 0.054 2 0 "[ . 1 . ]" 1
350 1 43 ILE HA 1 43 ILE MD . . 4.460 4.258 4.244 4.289 . 0 0 "[ . 1 . ]" 1
351 1 43 ILE HA 1 43 ILE MG . . 3.330 2.320 2.277 2.384 . 0 0 "[ . 1 . ]" 1
352 1 43 ILE HA 1 44 SER H . . 3.530 2.239 2.085 2.497 . 0 0 "[ . 1 . ]" 1
353 1 43 ILE HA 1 85 ASN QD . . 3.780 3.431 2.950 4.101 0.321 4 0 "[ . 1 . ]" 1
354 1 43 ILE HB 1 43 ILE MD . . 3.620 2.527 2.453 2.625 . 0 0 "[ . 1 . ]" 1
355 1 43 ILE HB 1 44 SER H . . 3.320 2.816 2.115 3.327 0.007 12 0 "[ . 1 . ]" 1
356 1 43 ILE HB 1 88 LEU QD . . 4.360 3.848 3.422 4.189 . 0 0 "[ . 1 . ]" 1
357 1 43 ILE MD 1 44 SER H . . 4.470 4.815 4.109 5.170 0.700 12 5 "[ .* 1*+* .-]" 1
358 1 43 ILE MD 1 47 GLU H . . 4.720 5.194 4.933 5.337 0.617 2 7 "[*+ . ** *- * . ]" 1
359 1 43 ILE MD 1 47 GLU QB . . 4.830 3.671 3.267 4.666 . 0 0 "[ . 1 . ]" 1
360 1 43 ILE MD 1 48 ARG H . . 4.060 3.538 3.332 3.639 . 0 0 "[ . 1 . ]" 1
361 1 43 ILE MD 1 48 ARG HA . . 3.490 2.053 1.969 2.189 . 0 0 "[ . 1 . ]" 1
362 1 43 ILE MD 1 48 ARG QB . . 3.530 2.906 2.727 3.155 . 0 0 "[ . 1 . ]" 1
363 1 43 ILE MD 1 48 ARG QD . . 4.950 3.814 3.061 4.340 . 0 0 "[ . 1 . ]" 1
364 1 43 ILE MD 1 48 ARG QG . . 3.650 2.616 2.195 4.257 0.607 9 1 "[ . +1 . ]" 1
365 1 43 ILE MD 1 49 ASN H . . 4.840 4.953 4.861 5.057 0.217 8 0 "[ . 1 . ]" 1
366 1 43 ILE MD 1 51 LEU QD . . 3.090 2.195 1.989 2.620 . 0 0 "[ . 1 . ]" 1
367 1 43 ILE MD 1 88 LEU QD . . 3.490 3.606 3.295 3.809 0.319 10 0 "[ . 1 . ]" 1
368 1 43 ILE QG 1 44 SER H . . 4.310 3.989 3.662 4.239 . 0 0 "[ . 1 . ]" 1
369 1 43 ILE QG 1 48 ARG H . . 4.210 3.406 2.857 4.013 . 0 0 "[ . 1 . ]" 1
370 1 43 ILE HG12 1 44 SER H . . 5.000 4.956 4.726 5.152 0.152 12 0 "[ . 1 . ]" 1
371 1 43 ILE HG13 1 44 SER H . . 5.000 4.209 3.811 4.509 . 0 0 "[ . 1 . ]" 1
372 1 43 ILE MG 1 44 SER H . . 3.970 3.690 3.319 3.914 . 0 0 "[ . 1 . ]" 1
373 1 43 ILE MG 1 47 GLU QG . . 4.320 3.406 2.846 4.535 0.215 15 0 "[ . 1 . ]" 1
374 1 43 ILE MG 1 85 ASN QB . . 4.080 3.740 3.200 4.365 0.285 3 0 "[ . 1 . ]" 1
375 1 43 ILE MG 1 85 ASN QD . . 4.220 3.556 2.767 4.667 0.447 4 0 "[ . 1 . ]" 1
376 1 43 ILE MG 1 88 LEU QD . . 2.820 2.218 1.871 2.421 . 0 0 "[ . 1 . ]" 1
377 1 43 ILE MG 1 88 LEU HG . . 4.210 4.493 3.983 4.731 0.521 9 1 "[ . +1 . ]" 1
378 1 44 SER H 1 44 SER QB . . 3.470 2.580 2.406 2.650 . 0 0 "[ . 1 . ]" 1
379 1 44 SER H 1 47 GLU H . . 4.500 4.281 3.828 4.643 0.143 8 0 "[ . 1 . ]" 1
380 1 44 SER H 1 47 GLU QB . . 4.060 2.839 2.533 3.883 . 0 0 "[ . 1 . ]" 1
381 1 44 SER H 1 48 ARG H . . 4.750 4.449 4.092 4.661 . 0 0 "[ . 1 . ]" 1
382 1 44 SER H 1 85 ASN QB . . 4.780 3.530 3.200 4.775 . 0 0 "[ . 1 . ]" 1
383 1 44 SER H 1 85 ASN QD . . 5.190 4.388 3.752 5.405 0.215 6 0 "[ . 1 . ]" 1
384 1 44 SER H 1 88 LEU QD . . 5.440 5.053 4.343 5.775 0.335 1 0 "[ . 1 . ]" 1
385 1 44 SER HA 1 46 GLU H . . 4.750 4.510 4.284 4.802 0.052 14 0 "[ . 1 . ]" 1
386 1 44 SER QB 1 45 GLN H . . 4.400 2.892 2.805 3.096 . 0 0 "[ . 1 . ]" 1
387 1 44 SER QB 1 46 GLU H . . 3.360 3.190 2.791 3.458 0.098 14 0 "[ . 1 . ]" 1
388 1 44 SER QB 1 47 GLU H . . 4.040 3.311 3.060 3.818 . 0 0 "[ . 1 . ]" 1
389 1 45 GLN H 1 45 GLN QG . . 4.750 4.018 3.917 4.137 . 0 0 "[ . 1 . ]" 1
390 1 45 GLN H 1 46 GLU H . . 4.040 3.084 2.978 3.243 . 0 0 "[ . 1 . ]" 1
391 1 45 GLN HA 1 45 GLN QG . . 3.530 2.608 2.462 3.166 . 0 0 "[ . 1 . ]" 1
392 1 45 GLN HA 1 48 ARG H . . 4.080 3.852 3.599 4.187 0.107 2 0 "[ . 1 . ]" 1
393 1 45 GLN HA 1 48 ARG QB . . 4.410 2.771 2.640 2.899 . 0 0 "[ . 1 . ]" 1
394 1 45 GLN HA 1 49 ASN H . . 4.840 4.216 3.788 4.387 . 0 0 "[ . 1 . ]" 1
395 1 45 GLN QB 1 46 GLU H . . 3.550 2.806 2.735 2.844 . 0 0 "[ . 1 . ]" 1
396 1 45 GLN HB2 1 46 GLU H . . 4.260 4.080 4.006 4.136 . 0 0 "[ . 1 . ]" 1
397 1 45 GLN HB3 1 46 GLU H . . 4.260 2.859 2.784 2.900 . 0 0 "[ . 1 . ]" 1
398 1 45 GLN QG 1 46 GLU H . . 4.230 3.768 3.544 4.403 0.173 1 0 "[ . 1 . ]" 1
399 1 45 GLN QG 1 49 ASN H . . 5.010 4.539 4.390 5.012 0.002 1 0 "[ . 1 . ]" 1
400 1 45 GLN QG 1 49 ASN QD . . 3.820 3.559 2.738 4.006 0.186 1 0 "[ . 1 . ]" 1
401 1 46 GLU H 1 46 GLU HB2 . . 3.590 2.626 2.281 3.700 0.110 7 0 "[ . 1 . ]" 1
402 1 46 GLU H 1 46 GLU QB . . 2.910 2.449 2.256 2.641 . 0 0 "[ . 1 . ]" 1
403 1 46 GLU H 1 46 GLU HB3 . . 3.590 3.509 2.401 3.684 0.094 3 0 "[ . 1 . ]" 1
404 1 46 GLU H 1 46 GLU HG2 . . 4.110 3.618 2.477 4.048 . 0 0 "[ . 1 . ]" 1
405 1 46 GLU H 1 46 GLU QG . . 3.590 3.165 2.400 3.613 0.023 8 0 "[ . 1 . ]" 1
406 1 46 GLU H 1 46 GLU HG3 . . 4.110 3.686 3.218 4.188 0.078 8 0 "[ . 1 . ]" 1
407 1 46 GLU H 1 47 GLU H . . 3.490 2.430 2.240 3.054 . 0 0 "[ . 1 . ]" 1
408 1 46 GLU H 1 48 ARG H . . 4.390 3.966 3.708 4.287 . 0 0 "[ . 1 . ]" 1
409 1 46 GLU HA 1 46 GLU HG2 . . 3.790 3.724 3.217 3.981 0.191 7 0 "[ . 1 . ]" 1
410 1 46 GLU HA 1 46 GLU HG3 . . 3.790 2.892 2.492 3.854 0.064 12 0 "[ . 1 . ]" 1
411 1 46 GLU HA 1 49 ASN H . . 3.950 3.365 2.961 4.277 0.327 12 0 "[ . 1 . ]" 1
412 1 46 GLU HA 1 49 ASN QB . . 3.830 2.465 2.247 3.437 . 0 0 "[ . 1 . ]" 1
413 1 46 GLU HA 1 49 ASN QD . . 4.110 3.215 2.350 4.200 0.090 12 0 "[ . 1 . ]" 1
414 1 46 GLU HA 1 78 LEU QD . . 5.180 4.506 4.207 4.718 . 0 0 "[ . 1 . ]" 1
415 1 46 GLU QB 1 78 LEU QD . . 4.350 2.510 2.333 3.219 . 0 0 "[ . 1 . ]" 1
416 1 46 GLU HB2 1 47 GLU H . . 3.490 3.125 2.726 4.036 0.546 7 1 "[ . + 1 . ]" 1
417 1 46 GLU HB2 1 78 LEU QD . . 4.510 2.866 2.627 3.308 . 0 0 "[ . 1 . ]" 1
418 1 46 GLU HB3 1 47 GLU H . . 3.490 3.912 3.701 4.109 0.619 16 4 "[ . * -1 *.+]" 1
419 1 46 GLU HB3 1 78 LEU QD . . 4.510 2.869 2.489 4.419 . 0 0 "[ . 1 . ]" 1
420 1 46 GLU QG 1 78 LEU QD . . 3.930 3.184 2.945 3.386 . 0 0 "[ . 1 . ]" 1
421 1 47 GLU H 1 47 GLU HB2 . . 3.740 2.579 2.311 3.234 . 0 0 "[ . 1 . ]" 1
422 1 47 GLU H 1 47 GLU QB . . 3.180 2.273 2.199 2.492 . 0 0 "[ . 1 . ]" 1
423 1 47 GLU H 1 47 GLU HB3 . . 3.740 2.695 2.266 3.644 . 0 0 "[ . 1 . ]" 1
424 1 47 GLU H 1 48 ARG H . . 3.520 2.289 2.113 2.477 . 0 0 "[ . 1 . ]" 1
425 1 47 GLU H 1 49 ASN H . . 4.440 3.662 3.434 4.024 . 0 0 "[ . 1 . ]" 1
426 1 47 GLU H 1 51 LEU QD . . 5.500 5.997 5.801 6.093 0.593 7 9 "[ *. +* -****.*]" 1
427 1 47 GLU H 1 75 LEU QD . . 5.420 5.297 4.545 5.979 0.559 12 2 "[ . - 1 + . ]" 1
428 1 47 GLU H 1 78 LEU QD . . 4.260 4.295 4.177 4.630 0.370 7 0 "[ . 1 . ]" 1
429 1 47 GLU HA 1 47 GLU HG2 . . 4.130 3.011 2.572 3.431 . 0 0 "[ . 1 . ]" 1
430 1 47 GLU HA 1 47 GLU HG3 . . 4.130 3.168 2.606 3.848 . 0 0 "[ . 1 . ]" 1
431 1 47 GLU HA 1 50 ALA H . . 4.150 3.224 2.774 3.503 . 0 0 "[ . 1 . ]" 1
432 1 47 GLU HA 1 50 ALA MB . . 3.830 2.643 2.338 3.230 . 0 0 "[ . 1 . ]" 1
433 1 47 GLU HA 1 51 LEU H . . 4.790 4.226 3.902 4.439 . 0 0 "[ . 1 . ]" 1
434 1 47 GLU HA 1 75 LEU QD . . 3.850 3.179 2.580 3.819 . 0 0 "[ . 1 . ]" 1
435 1 47 GLU HA 1 78 LEU QD . . 3.990 3.698 3.451 4.031 0.041 2 0 "[ . 1 . ]" 1
436 1 47 GLU QB 1 48 ARG H . . 3.980 2.630 2.511 3.132 . 0 0 "[ . 1 . ]" 1
437 1 47 GLU QB 1 51 LEU QD . . 5.040 4.272 3.547 4.652 . 0 0 "[ . 1 . ]" 1
438 1 47 GLU QB 1 78 LEU QD . . 5.300 3.857 3.623 4.536 . 0 0 "[ . 1 . ]" 1
439 1 47 GLU QB 1 88 LEU QD . . 4.450 4.117 2.901 4.480 0.030 14 0 "[ . 1 . ]" 1
440 1 47 GLU QG 1 75 LEU QD . . 4.260 2.858 2.577 3.315 . 0 0 "[ . 1 . ]" 1
441 1 47 GLU QG 1 78 LEU QD . . 4.540 4.017 2.982 5.114 0.574 2 1 "[ + . 1 . ]" 1
442 1 47 GLU QG 1 88 LEU QD . . 4.550 3.137 2.893 4.153 . 0 0 "[ . 1 . ]" 1
443 1 47 GLU HG2 1 78 LEU QD . . 5.210 4.806 3.240 6.111 0.901 3 4 "[ *+ . -* . ]" 1
444 1 47 GLU HG3 1 78 LEU QD . . 5.210 4.549 3.484 5.617 0.407 2 0 "[ . 1 . ]" 1
445 1 48 ARG H 1 48 ARG QB . . 3.510 2.239 2.179 2.315 . 0 0 "[ . 1 . ]" 1
446 1 48 ARG H 1 48 ARG QG . . 4.560 3.978 3.926 4.039 . 0 0 "[ . 1 . ]" 1
447 1 48 ARG H 1 49 ASN H . . 3.450 2.644 2.511 2.731 . 0 0 "[ . 1 . ]" 1
448 1 48 ARG H 1 50 ALA H . . 5.090 4.150 3.921 4.482 . 0 0 "[ . 1 . ]" 1
449 1 48 ARG HA 1 48 ARG QG . . 3.710 2.490 2.382 3.190 . 0 0 "[ . 1 . ]" 1
450 1 48 ARG HA 1 51 LEU H . . 4.940 3.632 3.527 3.836 . 0 0 "[ . 1 . ]" 1
451 1 48 ARG HA 1 51 LEU QB . . 4.620 3.270 3.174 3.394 . 0 0 "[ . 1 . ]" 1
452 1 48 ARG HA 1 51 LEU QD . . 4.030 3.682 3.618 3.736 . 0 0 "[ . 1 . ]" 1
453 1 48 ARG HA 1 52 ASN H . . 4.300 4.047 3.968 4.168 . 0 0 "[ . 1 . ]" 1
454 1 48 ARG QB 1 49 ASN H . . 3.540 2.534 2.469 2.672 . 0 0 "[ . 1 . ]" 1
455 1 48 ARG QB 1 49 ASN HA . . 5.050 4.178 4.049 4.344 . 0 0 "[ . 1 . ]" 1
456 1 48 ARG QB 1 51 LEU QD . . 5.500 4.984 4.919 5.052 . 0 0 "[ . 1 . ]" 1
457 1 48 ARG QG 1 49 ASN H . . 4.260 3.760 3.180 4.047 . 0 0 "[ . 1 . ]" 1
458 1 48 ARG QG 1 52 ASN H . . 4.300 4.355 4.149 4.760 0.460 9 0 "[ . 1 . ]" 1
459 1 48 ARG QG 1 52 ASN QD . . 4.020 3.260 3.189 3.593 . 0 0 "[ . 1 . ]" 1
460 1 49 ASN H 1 49 ASN QB . . 3.170 2.308 2.171 2.510 . 0 0 "[ . 1 . ]" 1
461 1 49 ASN H 1 49 ASN QD . . 4.730 4.211 3.826 4.432 . 0 0 "[ . 1 . ]" 1
462 1 49 ASN H 1 50 ALA H . . 3.400 2.806 2.714 2.911 . 0 0 "[ . 1 . ]" 1
463 1 49 ASN H 1 50 ALA MB . . 4.490 4.452 4.360 4.604 0.114 6 0 "[ . 1 . ]" 1
464 1 49 ASN H 1 51 LEU H . . 4.620 4.449 4.208 4.635 0.015 14 0 "[ . 1 . ]" 1
465 1 49 ASN H 1 51 LEU QD . . 5.500 5.840 5.662 5.944 0.444 14 0 "[ . 1 . ]" 1
466 1 49 ASN H 1 53 ILE MD . . 5.500 5.858 5.593 6.069 0.569 12 6 "[- * .** *1 + . ]" 1
467 1 49 ASN HA 1 52 ASN H . . 4.040 3.805 3.631 3.906 . 0 0 "[ . 1 . ]" 1
468 1 49 ASN HA 1 52 ASN HB2 . . 4.170 2.820 2.700 3.682 . 0 0 "[ . 1 . ]" 1
469 1 49 ASN HA 1 52 ASN HB3 . . 4.170 4.215 2.988 4.424 0.254 5 0 "[ . 1 . ]" 1
470 1 49 ASN HA 1 52 ASN QD . . 5.470 4.431 4.172 4.760 . 0 0 "[ . 1 . ]" 1
471 1 49 ASN HA 1 53 ILE H . . 4.770 4.155 3.889 4.304 . 0 0 "[ . 1 . ]" 1
472 1 49 ASN QB 1 50 ALA H . . 3.650 2.521 2.403 2.723 . 0 0 "[ . 1 . ]" 1
473 1 49 ASN QB 1 50 ALA HA . . 3.970 3.988 3.724 4.156 0.186 1 0 "[ . 1 . ]" 1
474 1 49 ASN QB 1 50 ALA MB . . 4.650 3.765 3.613 3.925 . 0 0 "[ . 1 . ]" 1
475 1 49 ASN QD 1 50 ALA H . . 5.140 4.974 4.745 5.125 . 0 0 "[ . 1 . ]" 1
476 1 49 ASN QD 1 53 ILE MD . . 4.540 4.113 3.769 4.747 0.207 13 0 "[ . 1 . ]" 1
477 1 50 ALA H 1 50 ALA MB . . 3.000 2.239 2.213 2.278 . 0 0 "[ . 1 . ]" 1
478 1 50 ALA H 1 51 LEU H . . 3.490 2.826 2.698 2.904 . 0 0 "[ . 1 . ]" 1
479 1 50 ALA H 1 52 ASN H . . 5.410 4.126 4.072 4.183 . 0 0 "[ . 1 . ]" 1
480 1 50 ALA H 1 53 ILE H . . 4.990 4.778 4.680 4.869 . 0 0 "[ . 1 . ]" 1
481 1 50 ALA H 1 53 ILE MD . . 4.350 4.434 4.177 4.761 0.411 3 0 "[ . 1 . ]" 1
482 1 50 ALA H 1 74 ALA MB . . 4.260 4.595 4.390 4.819 0.559 9 1 "[ . +1 . ]" 1
483 1 50 ALA H 1 75 LEU QD . . 4.680 4.517 4.078 4.914 0.234 6 0 "[ . 1 . ]" 1
484 1 50 ALA H 1 78 LEU QD . . 4.800 5.181 4.638 5.378 0.578 8 3 "[ . + 1- * ]" 1
485 1 50 ALA HA 1 53 ILE H . . 4.190 3.718 3.239 3.923 . 0 0 "[ . 1 . ]" 1
486 1 50 ALA HA 1 53 ILE HB . . 3.830 2.830 2.376 3.102 . 0 0 "[ . 1 . ]" 1
487 1 50 ALA HA 1 53 ILE MD . . 3.570 2.764 2.317 3.194 . 0 0 "[ . 1 . ]" 1
488 1 50 ALA HA 1 53 ILE MG . . 4.450 4.057 3.769 4.372 . 0 0 "[ . 1 . ]" 1
489 1 50 ALA HA 1 71 LEU QD . . 3.890 4.191 3.765 4.483 0.593 7 2 "[ . + 1 .-]" 1
490 1 50 ALA HA 1 74 ALA MB . . 4.120 3.426 3.253 3.902 . 0 0 "[ . 1 . ]" 1
491 1 50 ALA MB 1 51 LEU H . . 3.270 2.500 2.346 2.842 . 0 0 "[ . 1 . ]" 1
492 1 50 ALA MB 1 51 LEU HG . . 3.940 3.257 3.007 3.912 . 0 0 "[ . 1 . ]" 1
493 1 50 ALA MB 1 52 ASN H . . 4.860 4.469 4.349 4.639 . 0 0 "[ . 1 . ]" 1
494 1 50 ALA MB 1 53 ILE MD . . 3.840 4.009 3.456 4.361 0.521 11 2 "[ - . 1+ . ]" 1
495 1 50 ALA MB 1 71 LEU HA . . 4.480 3.562 3.362 3.855 . 0 0 "[ . 1 . ]" 1
496 1 50 ALA MB 1 71 LEU QD . . 3.350 2.490 2.041 2.918 . 0 0 "[ . 1 . ]" 1
497 1 50 ALA MB 1 74 ALA HA . . 4.400 4.582 4.232 4.827 0.427 13 0 "[ . 1 . ]" 1
498 1 50 ALA MB 1 74 ALA MB . . 2.880 2.279 2.055 2.424 . 0 0 "[ . 1 . ]" 1
499 1 50 ALA MB 1 75 LEU H . . 4.520 4.680 4.439 4.986 0.466 1 0 "[ . 1 . ]" 1
500 1 50 ALA MB 1 75 LEU QD . . 3.410 2.312 2.058 2.892 . 0 0 "[ . 1 . ]" 1
501 1 50 ALA MB 1 75 LEU HG . . 4.330 3.747 3.214 4.665 0.335 12 0 "[ . 1 . ]" 1
502 1 50 ALA MB 1 78 LEU HG . . 5.280 5.716 5.172 5.906 0.626 10 8 "[ ** .- * + *** ]" 1
503 1 51 LEU H 1 51 LEU QB . . 3.220 2.564 2.532 2.599 . 0 0 "[ . 1 . ]" 1
504 1 51 LEU H 1 51 LEU QD . . 3.610 3.091 3.037 3.158 . 0 0 "[ . 1 . ]" 1
505 1 51 LEU H 1 51 LEU HG . . 3.300 2.470 2.352 2.606 . 0 0 "[ . 1 . ]" 1
506 1 51 LEU H 1 52 ASN H . . 3.420 2.578 2.499 2.628 . 0 0 "[ . 1 . ]" 1
507 1 51 LEU H 1 52 ASN QB . . 4.540 4.528 4.294 4.630 0.090 11 0 "[ . 1 . ]" 1
508 1 51 LEU H 1 53 ILE H . . 4.600 4.148 3.979 4.291 . 0 0 "[ . 1 . ]" 1
509 1 51 LEU H 1 71 LEU QD . . 4.460 4.130 3.895 4.480 0.020 1 0 "[ . 1 . ]" 1
510 1 51 LEU H 1 75 LEU QD . . 5.020 4.466 4.238 4.712 . 0 0 "[ . 1 . ]" 1
511 1 51 LEU HA 1 51 LEU QD . . 3.400 2.349 2.307 2.365 . 0 0 "[ . 1 . ]" 1
512 1 51 LEU HA 1 51 LEU HG . . 3.890 3.396 3.345 3.453 . 0 0 "[ . 1 . ]" 1
513 1 51 LEU HA 1 54 ALA H . . 4.320 3.116 2.895 3.333 . 0 0 "[ . 1 . ]" 1
514 1 51 LEU HA 1 54 ALA MB . . 3.480 2.220 2.010 2.546 . 0 0 "[ . 1 . ]" 1
515 1 51 LEU QB 1 52 ASN H . . 3.330 2.947 2.806 3.137 . 0 0 "[ . 1 . ]" 1
516 1 51 LEU HB2 1 52 ASN H . . 3.820 3.032 2.875 3.244 . 0 0 "[ . 1 . ]" 1
517 1 51 LEU HB3 1 52 ASN H . . 3.820 4.015 3.904 4.168 0.348 1 0 "[ . 1 . ]" 1
518 1 51 LEU QD 1 52 ASN H . . 4.250 4.351 4.283 4.420 0.170 1 0 "[ . 1 . ]" 1
519 1 51 LEU QD 1 54 ALA H . . 5.500 4.703 4.539 4.869 . 0 0 "[ . 1 . ]" 1
520 1 51 LEU QD 1 88 LEU QD . . 3.280 2.057 1.827 2.449 . 0 0 "[ . 1 . ]" 1
521 1 52 ASN H 1 52 ASN HB2 . . 3.540 2.388 2.328 2.461 . 0 0 "[ . 1 . ]" 1
522 1 52 ASN H 1 52 ASN QB . . 3.020 2.348 2.273 2.426 . 0 0 "[ . 1 . ]" 1
523 1 52 ASN H 1 52 ASN HB3 . . 3.540 3.571 2.706 3.672 0.132 11 0 "[ . 1 . ]" 1
524 1 52 ASN H 1 52 ASN QD . . 4.640 4.475 4.388 4.580 . 0 0 "[ . 1 . ]" 1
525 1 52 ASN H 1 53 ILE H . . 3.590 2.601 2.469 2.731 . 0 0 "[ . 1 . ]" 1
526 1 52 ASN H 1 54 ALA H . . 4.740 3.890 3.584 4.201 . 0 0 "[ . 1 . ]" 1
527 1 52 ASN HA 1 52 ASN QD . . 4.290 3.728 3.622 3.813 . 0 0 "[ . 1 . ]" 1
528 1 52 ASN HA 1 55 GLU H . . 3.890 3.448 3.158 3.655 . 0 0 "[ . 1 . ]" 1
529 1 52 ASN HA 1 55 GLU QB . . 4.610 3.017 2.634 3.258 . 0 0 "[ . 1 . ]" 1
530 1 52 ASN HA 1 56 LYS H . . 4.450 4.048 3.810 4.387 . 0 0 "[ . 1 . ]" 1
531 1 52 ASN QB 1 53 ILE H . . 3.520 2.663 2.597 2.779 . 0 0 "[ . 1 . ]" 1
532 1 52 ASN HB2 1 53 ILE H . . 4.010 2.835 2.700 3.799 . 0 0 "[ . 1 . ]" 1
533 1 52 ASN HB3 1 53 ILE H . . 4.010 3.420 2.662 3.649 . 0 0 "[ . 1 . ]" 1
534 1 53 ILE H 1 53 ILE HB . . 3.230 2.431 2.293 2.494 . 0 0 "[ . 1 . ]" 1
535 1 53 ILE H 1 53 ILE MD . . 3.840 3.719 3.661 3.773 . 0 0 "[ . 1 . ]" 1
536 1 53 ILE H 1 53 ILE HG12 . . 3.870 3.671 3.616 3.814 . 0 0 "[ . 1 . ]" 1
537 1 53 ILE H 1 53 ILE QG . . 3.250 2.411 2.375 2.549 . 0 0 "[ . 1 . ]" 1
538 1 53 ILE H 1 53 ILE HG13 . . 3.870 2.445 2.405 2.589 . 0 0 "[ . 1 . ]" 1
539 1 53 ILE H 1 53 ILE MG . . 3.920 3.801 3.731 3.834 . 0 0 "[ . 1 . ]" 1
540 1 53 ILE H 1 54 ALA H . . 3.600 2.589 2.461 2.672 . 0 0 "[ . 1 . ]" 1
541 1 53 ILE H 1 54 ALA MB . . 5.170 4.244 4.173 4.344 . 0 0 "[ . 1 . ]" 1
542 1 53 ILE H 1 55 GLU H . . 4.800 4.337 4.112 4.419 . 0 0 "[ . 1 . ]" 1
543 1 53 ILE HA 1 53 ILE MD . . 3.900 3.870 3.829 3.906 0.006 15 0 "[ . 1 . ]" 1
544 1 53 ILE HA 1 53 ILE HG12 . . 3.770 2.548 2.466 2.625 . 0 0 "[ . 1 . ]" 1
545 1 53 ILE HA 1 53 ILE QG . . 3.260 2.403 2.338 2.464 . 0 0 "[ . 1 . ]" 1
546 1 53 ILE HA 1 53 ILE HG13 . . 3.770 2.948 2.802 3.004 . 0 0 "[ . 1 . ]" 1
547 1 53 ILE HA 1 53 ILE MG . . 3.360 2.610 2.542 2.736 . 0 0 "[ . 1 . ]" 1
548 1 53 ILE HA 1 56 LYS H . . 4.550 3.905 3.468 4.174 . 0 0 "[ . 1 . ]" 1
549 1 53 ILE HA 1 56 LYS QB . . 4.630 3.364 2.962 4.193 . 0 0 "[ . 1 . ]" 1
550 1 53 ILE HB 1 53 ILE MD . . 3.380 2.470 2.434 2.512 . 0 0 "[ . 1 . ]" 1
551 1 53 ILE HB 1 54 ALA H . . 3.680 2.735 2.627 3.002 . 0 0 "[ . 1 . ]" 1
552 1 53 ILE MD 1 54 ALA H . . 4.460 4.760 4.660 4.916 0.456 11 0 "[ . 1 . ]" 1
553 1 53 ILE QG 1 53 ILE MG . . 3.220 2.421 2.382 2.454 . 0 0 "[ . 1 . ]" 1
554 1 53 ILE MG 1 54 ALA H . . 3.900 3.332 3.020 3.597 . 0 0 "[ . 1 . ]" 1
555 1 54 ALA H 1 54 ALA MB . . 3.170 2.244 2.210 2.283 . 0 0 "[ . 1 . ]" 1
556 1 54 ALA H 1 55 GLU H . . 3.550 2.840 2.715 2.944 . 0 0 "[ . 1 . ]" 1
557 1 54 ALA H 1 71 LEU QD . . 4.110 4.228 4.107 4.447 0.337 16 0 "[ . 1 . ]" 1
558 1 54 ALA HA 1 57 ALA MB . . 3.530 3.012 2.736 3.379 . 0 0 "[ . 1 . ]" 1
559 1 54 ALA HA 1 67 ILE MG . . 3.470 2.325 2.093 2.855 . 0 0 "[ . 1 . ]" 1
560 1 54 ALA MB 1 55 GLU H . . 3.350 2.389 2.298 2.495 . 0 0 "[ . 1 . ]" 1
561 1 54 ALA MB 1 55 GLU HA . . 4.590 3.770 3.689 3.871 . 0 0 "[ . 1 . ]" 1
562 1 54 ALA MB 1 67 ILE MG . . 3.060 2.675 2.338 2.921 . 0 0 "[ . 1 . ]" 1
563 1 54 ALA MB 1 70 ASN QD . . 4.390 4.374 2.998 5.011 0.621 14 4 "[ * . -1 +.*]" 1
564 1 54 ALA MB 1 71 LEU H . . 5.500 5.255 4.840 5.838 0.338 11 0 "[ . 1 . ]" 1
565 1 54 ALA MB 1 71 LEU QB . . 4.760 3.615 3.223 5.084 0.324 1 0 "[ . 1 . ]" 1
566 1 54 ALA MB 1 71 LEU QD . . 2.650 2.365 2.118 2.778 0.128 6 0 "[ . 1 . ]" 1
567 1 55 GLU H 1 55 GLU HB2 . . 3.320 2.607 2.346 2.759 . 0 0 "[ . 1 . ]" 1
568 1 55 GLU H 1 55 GLU HB3 . . 3.320 2.700 2.369 3.734 0.414 1 0 "[ . 1 . ]" 1
569 1 55 GLU H 1 55 GLU QG . . 4.750 3.848 3.010 4.107 . 0 0 "[ . 1 . ]" 1
570 1 55 GLU H 1 56 LYS H . . 3.520 2.720 2.581 2.927 . 0 0 "[ . 1 . ]" 1
571 1 55 GLU H 1 57 ALA H . . 4.320 4.065 3.830 4.375 0.055 1 0 "[ . 1 . ]" 1
572 1 55 GLU H 1 58 LEU H . . 5.280 4.652 4.577 4.855 . 0 0 "[ . 1 . ]" 1
573 1 55 GLU HA 1 55 GLU QG . . 3.320 2.616 2.259 2.985 . 0 0 "[ . 1 . ]" 1
574 1 55 GLU HA 1 58 LEU H . . 4.100 3.244 2.947 3.800 . 0 0 "[ . 1 . ]" 1
575 1 55 GLU HA 1 58 LEU QB . . 3.880 2.927 2.447 3.252 . 0 0 "[ . 1 . ]" 1
576 1 55 GLU HA 1 58 LEU QD . . 3.450 2.410 1.993 2.930 . 0 0 "[ . 1 . ]" 1
577 1 55 GLU HA 1 59 ASP H . . 4.900 4.279 4.141 4.483 . 0 0 "[ . 1 . ]" 1
578 1 55 GLU HA 1 67 ILE MG . . 5.500 5.007 4.632 5.717 0.217 11 0 "[ . 1 . ]" 1
579 1 55 GLU QB 1 56 LYS H . . 3.310 2.652 2.564 2.875 . 0 0 "[ . 1 . ]" 1
580 1 55 GLU HB2 1 56 LYS H . . 4.060 3.767 2.705 4.051 . 0 0 "[ . 1 . ]" 1
581 1 55 GLU HB3 1 56 LYS H . . 4.060 2.803 2.619 3.469 . 0 0 "[ . 1 . ]" 1
582 1 55 GLU QG 1 58 LEU QD . . 3.910 3.239 2.327 4.168 0.258 11 0 "[ . 1 . ]" 1
583 1 56 LYS H 1 56 LYS HB2 . . 3.690 2.772 2.309 3.664 . 0 0 "[ . 1 . ]" 1
584 1 56 LYS H 1 56 LYS QB . . 3.080 2.421 2.209 2.501 . 0 0 "[ . 1 . ]" 1
585 1 56 LYS H 1 56 LYS HB3 . . 3.690 3.240 2.456 3.688 . 0 0 "[ . 1 . ]" 1
586 1 56 LYS H 1 56 LYS QD . . 4.750 4.002 3.433 4.804 0.054 15 0 "[ . 1 . ]" 1
587 1 56 LYS H 1 56 LYS HG2 . . 3.990 3.069 2.483 4.484 0.494 15 0 "[ . 1 . ]" 1
588 1 56 LYS H 1 56 LYS QG . . 3.490 2.694 2.440 4.007 0.517 15 1 "[ . 1 + ]" 1
589 1 56 LYS H 1 56 LYS HG3 . . 3.990 3.595 2.522 4.575 0.585 10 2 "[ . + - ]" 1
590 1 56 LYS H 1 57 ALA H . . 2.920 2.595 2.487 2.696 . 0 0 "[ . 1 . ]" 1
591 1 56 LYS H 1 58 LEU H . . 4.790 4.077 3.895 4.314 . 0 0 "[ . 1 . ]" 1
592 1 56 LYS HA 1 59 ASP H . . 4.080 3.591 3.236 3.931 . 0 0 "[ . 1 . ]" 1
593 1 56 LYS HA 1 59 ASP HB2 . . 4.420 3.397 2.996 3.792 . 0 0 "[ . 1 . ]" 1
594 1 56 LYS HA 1 59 ASP QB . . 3.840 2.996 2.839 3.528 . 0 0 "[ . 1 . ]" 1
595 1 56 LYS HA 1 59 ASP HB3 . . 4.420 3.793 3.051 5.275 0.855 1 1 "[+ . 1 . ]" 1
596 1 56 LYS QB 1 57 ALA MB . . 5.250 4.087 3.815 4.682 . 0 0 "[ . 1 . ]" 1
597 1 56 LYS HB2 1 57 ALA H . . 4.080 3.379 2.832 4.148 0.068 4 0 "[ . 1 . ]" 1
598 1 56 LYS HB3 1 57 ALA H . . 4.080 3.762 2.838 4.043 . 0 0 "[ . 1 . ]" 1
599 1 57 ALA H 1 57 ALA MB . . 3.130 2.255 2.220 2.294 . 0 0 "[ . 1 . ]" 1
600 1 57 ALA H 1 58 LEU H . . 3.500 2.516 2.404 2.587 . 0 0 "[ . 1 . ]" 1
601 1 57 ALA H 1 59 ASP H . . 4.280 4.038 3.901 4.265 . 0 0 "[ . 1 . ]" 1
602 1 57 ALA H 1 67 ILE MD . . 4.840 4.122 3.959 4.293 . 0 0 "[ . 1 . ]" 1
603 1 57 ALA H 1 67 ILE MG . . 5.260 4.728 4.512 5.353 0.093 1 0 "[ . 1 . ]" 1
604 1 57 ALA HA 1 60 ASN H . . 3.610 3.098 2.854 3.409 . 0 0 "[ . 1 . ]" 1
605 1 57 ALA HA 1 60 ASN QB . . 3.790 2.452 2.254 2.819 . 0 0 "[ . 1 . ]" 1
606 1 57 ALA HA 1 60 ASN QD . . 4.420 3.825 2.960 4.906 0.486 12 0 "[ . 1 . ]" 1
607 1 57 ALA HA 1 62 GLU H . . 4.620 4.047 3.547 4.736 0.116 10 0 "[ . 1 . ]" 1
608 1 57 ALA MB 1 58 LEU H . . 3.190 2.790 2.668 2.876 . 0 0 "[ . 1 . ]" 1
609 1 57 ALA MB 1 58 LEU HG . . 5.500 4.152 3.928 4.313 . 0 0 "[ . 1 . ]" 1
610 1 57 ALA MB 1 60 ASN H . . 4.820 4.418 4.250 4.699 . 0 0 "[ . 1 . ]" 1
611 1 57 ALA MB 1 60 ASN QB . . 4.340 3.781 3.434 4.198 . 0 0 "[ . 1 . ]" 1
612 1 57 ALA MB 1 62 GLU H . . 4.170 3.589 3.216 4.053 . 0 0 "[ . 1 . ]" 1
613 1 57 ALA MB 1 62 GLU QB . . 3.490 2.669 1.978 3.761 0.271 4 0 "[ . 1 . ]" 1
614 1 57 ALA MB 1 62 GLU QG . . 4.010 3.277 3.096 3.710 . 0 0 "[ . 1 . ]" 1
615 1 57 ALA MB 1 63 TYR H . . 4.490 5.020 4.574 5.243 0.753 7 10 "[* **+**-** *. ]" 1
616 1 57 ALA MB 1 67 ILE H . . 4.900 5.377 5.190 5.461 0.561 7 8 "[* *** +-*1* . ]" 1
617 1 57 ALA MB 1 67 ILE HA . . 4.180 4.371 3.968 4.631 0.451 1 0 "[ . 1 . ]" 1
618 1 57 ALA MB 1 67 ILE MD . . 3.030 2.100 1.896 2.363 . 0 0 "[ . 1 . ]" 1
619 1 57 ALA MB 1 67 ILE QG . . 4.270 2.559 2.421 2.667 . 0 0 "[ . 1 . ]" 1
620 1 57 ALA MB 1 67 ILE MG . . 3.530 2.963 2.728 3.650 0.120 1 0 "[ . 1 . ]" 1
621 1 58 LEU H 1 58 LEU QB . . 3.280 2.686 2.492 2.756 . 0 0 "[ . 1 . ]" 1
622 1 58 LEU H 1 58 LEU MD1 . . 4.140 3.934 3.595 4.028 . 0 0 "[ . 1 . ]" 1
623 1 58 LEU H 1 58 LEU QD . . 3.580 2.959 2.746 3.282 . 0 0 "[ . 1 . ]" 1
624 1 58 LEU H 1 58 LEU MD2 . . 4.140 3.083 2.797 3.793 . 0 0 "[ . 1 . ]" 1
625 1 58 LEU H 1 58 LEU HG . . 3.890 2.433 2.370 2.514 . 0 0 "[ . 1 . ]" 1
626 1 58 LEU H 1 59 ASP H . . 2.960 2.666 2.574 2.814 . 0 0 "[ . 1 . ]" 1
627 1 58 LEU H 1 60 ASN H . . 4.770 4.111 3.847 4.322 . 0 0 "[ . 1 . ]" 1
628 1 58 LEU H 1 67 ILE MD . . 3.980 3.032 2.792 3.239 . 0 0 "[ . 1 . ]" 1
629 1 58 LEU H 1 67 ILE MG . . 4.560 4.097 3.807 4.458 . 0 0 "[ . 1 . ]" 1
630 1 58 LEU HA 1 58 LEU MD1 . . 4.300 4.109 4.067 4.155 . 0 0 "[ . 1 . ]" 1
631 1 58 LEU HA 1 58 LEU QD . . 3.320 2.579 2.558 2.606 . 0 0 "[ . 1 . ]" 1
632 1 58 LEU HA 1 58 LEU MD2 . . 4.300 2.607 2.585 2.635 . 0 0 "[ . 1 . ]" 1
633 1 58 LEU HA 1 58 LEU HG . . 4.240 3.527 3.068 3.665 . 0 0 "[ . 1 . ]" 1
634 1 58 LEU HA 1 61 SER H . . 4.550 3.350 3.148 3.739 . 0 0 "[ . 1 . ]" 1
635 1 58 LEU HA 1 62 GLU H . . 4.320 4.103 3.738 4.423 0.103 13 0 "[ . 1 . ]" 1
636 1 58 LEU HA 1 67 ILE MD . . 3.220 2.685 2.341 3.108 . 0 0 "[ . 1 . ]" 1
637 1 58 LEU HA 1 67 ILE MG . . 5.220 4.510 4.214 5.040 . 0 0 "[ . 1 . ]" 1
638 1 58 LEU QB 1 58 LEU QD . . 2.860 2.131 2.093 2.150 . 0 0 "[ . 1 . ]" 1
639 1 58 LEU HB2 1 59 ASP H . . 3.720 2.590 2.366 2.743 . 0 0 "[ . 1 . ]" 1
640 1 58 LEU HB3 1 59 ASP H . . 3.720 3.757 3.340 3.930 0.210 14 0 "[ . 1 . ]" 1
641 1 58 LEU QD 1 61 SER H . . 5.160 5.149 5.022 5.490 0.330 1 0 "[ . 1 . ]" 1
642 1 58 LEU QD 1 62 GLU H . . 5.060 5.208 4.809 5.610 0.550 1 2 "[+ . 1 - ]" 1
643 1 58 LEU QD 1 63 TYR H . . 5.060 5.538 5.325 5.682 0.622 13 7 "[ *** 1**+ .-]" 1
644 1 58 LEU QD 1 64 LEU QD . . 3.330 3.002 2.137 3.549 0.219 13 0 "[ . 1 . ]" 1
645 1 58 LEU QD 1 67 ILE MD . . 2.990 1.875 1.621 2.053 . 0 0 "[ . 1 . ]" 1
646 1 58 LEU MD1 1 59 ASP H . . 4.860 4.663 4.376 4.799 . 0 0 "[ . 1 . ]" 1
647 1 58 LEU MD2 1 59 ASP H . . 4.860 4.759 4.602 4.980 0.120 3 0 "[ . 1 . ]" 1
648 1 58 LEU HG 1 59 ASP H . . 5.110 4.219 4.093 4.484 . 0 0 "[ . 1 . ]" 1
649 1 58 LEU HG 1 67 ILE MD . . 3.530 3.457 2.321 3.798 0.268 5 0 "[ . 1 . ]" 1
650 1 58 LEU HG 1 67 ILE MG . . 4.310 3.553 2.802 4.000 . 0 0 "[ . 1 . ]" 1
651 1 59 ASP H 1 59 ASP HB2 . . 3.500 2.531 2.440 2.649 . 0 0 "[ . 1 . ]" 1
652 1 59 ASP H 1 59 ASP QB . . 3.000 2.372 2.251 2.592 . 0 0 "[ . 1 . ]" 1
653 1 59 ASP H 1 59 ASP HB3 . . 3.500 3.056 2.498 3.693 0.193 14 0 "[ . 1 . ]" 1
654 1 59 ASP H 1 60 ASN H . . 3.360 2.687 2.550 2.875 . 0 0 "[ . 1 . ]" 1
655 1 59 ASP H 1 61 SER H . . 4.410 3.791 3.652 4.031 . 0 0 "[ . 1 . ]" 1
656 1 59 ASP HA 1 61 SER H . . 4.340 3.954 3.559 4.123 . 0 0 "[ . 1 . ]" 1
657 1 59 ASP QB 1 60 ASN H . . 3.650 2.644 2.436 3.396 . 0 0 "[ . 1 . ]" 1
658 1 60 ASN H 1 60 ASN QB . . 2.870 2.417 2.323 2.499 . 0 0 "[ . 1 . ]" 1
659 1 60 ASN H 1 60 ASN QD . . 5.050 4.258 3.714 4.671 . 0 0 "[ . 1 . ]" 1
660 1 60 ASN H 1 61 SER H . . 3.160 2.470 2.218 2.619 . 0 0 "[ . 1 . ]" 1
661 1 60 ASN H 1 61 SER HA . . 4.850 4.686 4.463 4.872 0.022 10 0 "[ . 1 . ]" 1
662 1 60 ASN QB 1 61 SER H . . 3.900 3.277 3.219 3.322 . 0 0 "[ . 1 . ]" 1
663 1 60 ASN QB 1 62 GLU H . . 4.510 3.615 3.311 3.849 . 0 0 "[ . 1 . ]" 1
664 1 60 ASN QB 1 62 GLU QG . . 3.800 2.466 2.205 3.045 . 0 0 "[ . 1 . ]" 1
665 1 61 SER H 1 61 SER HA . . 2.850 2.246 2.222 2.267 . 0 0 "[ . 1 . ]" 1
666 1 61 SER H 1 61 SER QB . . 3.580 3.117 2.810 3.475 . 0 0 "[ . 1 . ]" 1
667 1 61 SER H 1 62 GLU H . . 3.200 2.830 2.412 3.163 . 0 0 "[ . 1 . ]" 1
668 1 61 SER H 1 62 GLU QG . . 4.440 4.120 3.815 4.619 0.179 13 0 "[ . 1 . ]" 1
669 1 61 SER H 1 67 ILE MD . . 5.010 4.189 3.833 4.472 . 0 0 "[ . 1 . ]" 1
670 1 61 SER HA 1 62 GLU H . . 3.250 2.657 2.518 2.919 . 0 0 "[ . 1 . ]" 1
671 1 62 GLU H 1 62 GLU HB2 . . 3.820 2.424 2.347 2.493 . 0 0 "[ . 1 . ]" 1
672 1 62 GLU H 1 62 GLU QB . . 3.130 2.389 2.318 2.453 . 0 0 "[ . 1 . ]" 1
673 1 62 GLU H 1 62 GLU HB3 . . 3.820 3.622 3.600 3.650 . 0 0 "[ . 1 . ]" 1
674 1 62 GLU H 1 62 GLU QG . . 3.180 2.541 2.401 2.970 . 0 0 "[ . 1 . ]" 1
675 1 62 GLU H 1 63 TYR H . . 4.410 3.003 2.923 3.102 . 0 0 "[ . 1 . ]" 1
676 1 62 GLU H 1 67 ILE MD . . 3.840 2.926 2.554 3.505 . 0 0 "[ . 1 . ]" 1
677 1 62 GLU HA 1 62 GLU QG . . 3.560 2.775 2.389 2.998 . 0 0 "[ . 1 . ]" 1
678 1 62 GLU QB 1 63 TYR H . . 3.280 3.182 2.329 3.834 0.554 12 8 "[ ***-*1*+ *. ]" 1
679 1 62 GLU QB 1 63 TYR QD . . 4.400 3.988 3.309 5.143 0.743 16 2 "[ . 1 -+]" 1
680 1 62 GLU HB2 1 63 TYR H . . 3.980 3.406 2.391 4.182 0.202 14 0 "[ . 1 . ]" 1
681 1 62 GLU HB3 1 63 TYR H . . 3.980 3.881 2.978 4.469 0.489 12 0 "[ . 1 . ]" 1
682 1 62 GLU QG 1 63 TYR H . . 4.560 4.473 4.146 4.834 0.274 14 0 "[ . 1 . ]" 1
683 1 63 TYR H 1 63 TYR HB2 . . 3.900 3.416 2.973 3.684 . 0 0 "[ . 1 . ]" 1
684 1 63 TYR H 1 63 TYR QB . . 3.170 3.231 2.891 3.441 0.271 7 0 "[ . 1 . ]" 1
685 1 63 TYR H 1 63 TYR HB3 . . 3.900 4.024 3.481 4.195 0.295 1 0 "[ . 1 . ]" 1
686 1 63 TYR H 1 63 TYR QD . . 4.530 3.873 3.414 4.559 0.029 15 0 "[ . 1 . ]" 1
687 1 63 TYR H 1 64 LEU H . . 4.890 4.194 3.754 4.439 . 0 0 "[ . 1 . ]" 1
688 1 63 TYR H 1 66 LYS QB . . 4.020 3.847 2.697 4.608 0.588 5 7 "[ +****1 - *. ]" 1
689 1 63 TYR H 1 67 ILE MD . . 4.870 3.379 3.199 3.557 . 0 0 "[ . 1 . ]" 1
690 1 63 TYR HA 1 63 TYR QD . . 3.660 2.817 2.386 3.060 . 0 0 "[ . 1 . ]" 1
691 1 63 TYR HA 1 64 LEU H . . 3.460 2.322 2.146 2.526 . 0 0 "[ . 1 . ]" 1
692 1 63 TYR QD 1 64 LEU H . . 4.250 3.446 2.938 4.300 0.050 8 0 "[ . 1 . ]" 1
693 1 63 TYR QD 1 66 LYS H . . 4.530 4.574 3.153 4.970 0.440 14 0 "[ . 1 . ]" 1
694 1 63 TYR QD 1 66 LYS QG . . 4.550 3.885 3.133 4.480 . 0 0 "[ . 1 . ]" 1
695 1 64 LEU H 1 64 LEU HB2 . . 3.980 2.482 2.419 2.673 . 0 0 "[ . 1 . ]" 1
696 1 64 LEU H 1 64 LEU QB . . 3.460 2.441 2.382 2.616 . 0 0 "[ . 1 . ]" 1
697 1 64 LEU H 1 64 LEU HB3 . . 3.980 3.623 3.574 3.725 . 0 0 "[ . 1 . ]" 1
698 1 64 LEU H 1 64 LEU QD . . 4.270 3.197 3.117 3.327 . 0 0 "[ . 1 . ]" 1
699 1 64 LEU HA 1 64 LEU QD . . 3.400 2.321 2.194 2.652 . 0 0 "[ . 1 . ]" 1
700 1 64 LEU HA 1 67 ILE H . . 4.230 3.456 3.314 3.640 . 0 0 "[ . 1 . ]" 1
701 1 64 LEU HA 1 67 ILE MD . . 4.260 3.533 2.948 3.902 . 0 0 "[ . 1 . ]" 1
702 1 64 LEU HA 1 67 ILE MG . . 5.500 4.640 4.171 5.024 . 0 0 "[ . 1 . ]" 1
703 1 64 LEU QD 1 67 ILE H . . 4.940 4.735 4.514 5.228 0.288 12 0 "[ . 1 . ]" 1
704 1 64 LEU QD 1 67 ILE HB . . 4.340 3.834 3.571 4.169 . 0 0 "[ . 1 . ]" 1
705 1 64 LEU QD 1 67 ILE MD . . 4.090 3.528 3.432 3.697 . 0 0 "[ . 1 . ]" 1
706 1 64 LEU QD 1 67 ILE MG . . 4.590 4.260 3.949 4.630 0.040 4 0 "[ . 1 . ]" 1
707 1 64 LEU QD 1 68 ILE H . . 5.440 4.658 4.253 5.367 . 0 0 "[ . 1 . ]" 1
708 1 64 LEU QD 1 68 ILE MD . . 3.960 2.846 2.445 3.597 . 0 0 "[ . 1 . ]" 1
709 1 64 LEU QD 1 68 ILE QG . . 4.050 3.237 2.703 4.010 . 0 0 "[ . 1 . ]" 1
710 1 64 LEU QD 1 105 LEU QD . . 3.560 3.254 2.098 3.963 0.403 3 0 "[ . 1 . ]" 1
711 1 66 LYS H 1 66 LYS HB2 . . 3.720 2.656 2.357 2.873 . 0 0 "[ . 1 . ]" 1
712 1 66 LYS H 1 66 LYS HB3 . . 3.720 2.622 2.396 3.640 . 0 0 "[ . 1 . ]" 1
713 1 66 LYS H 1 66 LYS QG . . 4.480 3.923 2.919 4.112 . 0 0 "[ . 1 . ]" 1
714 1 66 LYS H 1 67 ILE H . . 3.600 2.520 2.406 2.658 . 0 0 "[ . 1 . ]" 1
715 1 66 LYS H 1 67 ILE MD . . 4.530 5.189 5.020 5.358 0.828 2 15 "[*+***** ***-****]" 1
716 1 66 LYS H 1 67 ILE QG . . 4.260 4.027 3.866 4.217 . 0 0 "[ . 1 . ]" 1
717 1 66 LYS HA 1 69 LEU H . . 4.030 3.719 3.531 4.014 . 0 0 "[ . 1 . ]" 1
718 1 66 LYS HA 1 69 LEU HB2 . . 4.170 3.368 2.688 3.988 . 0 0 "[ . 1 . ]" 1
719 1 66 LYS HA 1 69 LEU HB3 . . 4.170 3.290 2.810 5.106 0.936 13 1 "[ . 1 + . ]" 1
720 1 66 LYS HA 1 69 LEU QD . . 4.450 3.639 3.293 4.333 . 0 0 "[ . 1 . ]" 1
721 1 66 LYS HA 1 70 ASN H . . 4.650 4.199 3.981 4.415 . 0 0 "[ . 1 . ]" 1
722 1 66 LYS QB 1 67 ILE H . . 4.190 2.672 2.593 2.753 . 0 0 "[ . 1 . ]" 1
723 1 66 LYS QB 1 67 ILE MD . . 4.070 4.255 3.979 4.514 0.444 4 0 "[ . 1 . ]" 1
724 1 67 ILE H 1 67 ILE HB . . 3.710 2.517 2.436 2.600 . 0 0 "[ . 1 . ]" 1
725 1 67 ILE H 1 67 ILE MD . . 3.990 3.640 3.552 3.789 . 0 0 "[ . 1 . ]" 1
726 1 67 ILE H 1 67 ILE QG . . 3.580 2.183 2.103 2.290 . 0 0 "[ . 1 . ]" 1
727 1 67 ILE H 1 67 ILE MG . . 3.950 3.823 3.798 3.849 . 0 0 "[ . 1 . ]" 1
728 1 67 ILE H 1 68 ILE H . . 3.900 2.477 2.416 2.529 . 0 0 "[ . 1 . ]" 1
729 1 67 ILE HA 1 67 ILE MD . . 4.170 3.826 3.752 3.893 . 0 0 "[ . 1 . ]" 1
730 1 67 ILE HA 1 67 ILE MG . . 3.370 2.466 2.417 2.524 . 0 0 "[ . 1 . ]" 1
731 1 67 ILE HB 1 67 ILE MD . . 3.490 2.516 2.447 2.606 . 0 0 "[ . 1 . ]" 1
732 1 67 ILE HB 1 68 ILE H . . 3.830 2.949 2.788 3.082 . 0 0 "[ . 1 . ]" 1
733 1 67 ILE MD 1 67 ILE MG . . 3.080 1.981 1.915 2.102 . 0 0 "[ . 1 . ]" 1
734 1 67 ILE MD 1 68 ILE H . . 5.250 4.888 4.778 4.967 . 0 0 "[ . 1 . ]" 1
735 1 67 ILE QG 1 68 ILE H . . 4.300 4.075 3.976 4.228 . 0 0 "[ . 1 . ]" 1
736 1 67 ILE MG 1 68 ILE H . . 3.910 3.743 3.609 3.816 . 0 0 "[ . 1 . ]" 1
737 1 67 ILE MG 1 68 ILE HA . . 4.640 3.811 3.502 4.035 . 0 0 "[ . 1 . ]" 1
738 1 67 ILE MG 1 71 LEU H . . 4.870 3.969 3.833 4.169 . 0 0 "[ . 1 . ]" 1
739 1 68 ILE H 1 68 ILE HB . . 3.570 2.412 2.346 2.566 . 0 0 "[ . 1 . ]" 1
740 1 68 ILE H 1 68 ILE MD . . 4.130 3.740 3.615 3.835 . 0 0 "[ . 1 . ]" 1
741 1 68 ILE H 1 68 ILE HG12 . . 3.990 3.793 3.693 3.897 . 0 0 "[ . 1 . ]" 1
742 1 68 ILE H 1 68 ILE QG . . 3.440 2.529 2.474 2.574 . 0 0 "[ . 1 . ]" 1
743 1 68 ILE H 1 68 ILE HG13 . . 3.990 2.568 2.514 2.612 . 0 0 "[ . 1 . ]" 1
744 1 68 ILE H 1 68 ILE MG . . 3.890 3.785 3.743 3.855 . 0 0 "[ . 1 . ]" 1
745 1 68 ILE HA 1 68 ILE MD . . 3.900 3.843 3.814 3.880 . 0 0 "[ . 1 . ]" 1
746 1 68 ILE HA 1 68 ILE MG . . 3.640 2.591 2.498 2.658 . 0 0 "[ . 1 . ]" 1
747 1 68 ILE HA 1 71 LEU H . . 4.120 3.562 3.369 3.749 . 0 0 "[ . 1 . ]" 1
748 1 68 ILE HA 1 71 LEU HB2 . . 4.360 3.614 2.990 4.143 . 0 0 "[ . 1 . ]" 1
749 1 68 ILE HA 1 71 LEU QB . . 3.830 2.975 2.861 3.332 . 0 0 "[ . 1 . ]" 1
750 1 68 ILE HA 1 71 LEU HB3 . . 4.360 3.434 2.932 5.082 0.722 12 2 "[- . 1 + . ]" 1
751 1 68 ILE HA 1 71 LEU QD . . 4.860 3.749 3.426 4.303 . 0 0 "[ . 1 . ]" 1
752 1 68 ILE HB 1 69 LEU H . . 3.600 2.750 2.508 2.933 . 0 0 "[ . 1 . ]" 1
753 1 68 ILE HB 1 69 LEU HA . . 4.480 4.659 4.529 4.779 0.299 7 0 "[ . 1 . ]" 1
754 1 68 ILE MD 1 68 ILE MG . . 3.270 2.042 1.975 2.102 . 0 0 "[ . 1 . ]" 1
755 1 68 ILE MD 1 94 PHE QE . . 5.160 5.217 4.634 5.658 0.498 10 0 "[ . 1 . ]" 1
756 1 68 ILE MD 1 95 ILE HA . . 4.450 3.852 3.434 4.247 . 0 0 "[ . 1 . ]" 1
757 1 68 ILE MD 1 95 ILE HB . . 4.400 3.262 2.935 3.811 . 0 0 "[ . 1 . ]" 1
758 1 68 ILE MD 1 95 ILE MG . . 3.700 3.663 3.249 4.069 0.369 10 0 "[ . 1 . ]" 1
759 1 68 ILE MD 1 100 ALA MB . . 3.930 2.653 2.323 3.268 . 0 0 "[ . 1 . ]" 1
760 1 68 ILE MD 1 105 LEU QD . . 3.550 2.739 2.368 3.419 . 0 0 "[ . 1 . ]" 1
761 1 68 ILE QG 1 68 ILE MG . . 3.070 2.398 2.373 2.428 . 0 0 "[ . 1 . ]" 1
762 1 68 ILE QG 1 95 ILE MG . . 3.670 3.059 2.665 3.758 0.088 10 0 "[ . 1 . ]" 1
763 1 68 ILE HG12 1 68 ILE MG . . 3.600 2.468 2.438 2.503 . 0 0 "[ . 1 . ]" 1
764 1 68 ILE HG13 1 68 ILE MG . . 3.600 3.261 3.248 3.270 . 0 0 "[ . 1 . ]" 1
765 1 68 ILE MG 1 69 LEU H . . 3.620 3.261 3.038 3.576 . 0 0 "[ . 1 . ]" 1
766 1 68 ILE MG 1 69 LEU HA . . 3.780 3.458 3.215 3.715 . 0 0 "[ . 1 . ]" 1
767 1 68 ILE MG 1 72 ARG H . . 4.180 4.252 3.993 4.400 0.220 7 0 "[ . 1 . ]" 1
768 1 68 ILE MG 1 72 ARG QD . . 3.830 3.622 2.625 4.078 0.248 3 0 "[ . 1 . ]" 1
769 1 68 ILE MG 1 73 LYS H . . 5.500 6.050 5.671 6.147 0.647 15 12 "[* *******1*- *+ ]" 1
770 1 68 ILE MG 1 95 ILE HA . . 4.430 3.854 3.429 4.300 . 0 0 "[ . 1 . ]" 1
771 1 68 ILE MG 1 95 ILE HB . . 3.670 2.134 2.009 2.478 . 0 0 "[ . 1 . ]" 1
772 1 68 ILE MG 1 95 ILE MG . . 3.560 3.264 2.823 3.439 . 0 0 "[ . 1 . ]" 1
773 1 68 ILE MG 1 96 THR MG . . 4.100 4.456 4.040 4.632 0.532 2 4 "[ + . 1 ** - ]" 1
774 1 68 ILE MG 1 100 ALA MB . . 4.060 3.166 2.480 3.952 . 0 0 "[ . 1 . ]" 1
775 1 68 ILE MG 1 105 LEU QD . . 4.600 4.393 3.657 5.250 0.650 12 1 "[ . 1 + . ]" 1
776 1 69 LEU H 1 69 LEU QB . . 3.130 2.224 2.091 2.424 . 0 0 "[ . 1 . ]" 1
777 1 69 LEU H 1 69 LEU HG . . 4.610 4.240 2.965 4.582 . 0 0 "[ . 1 . ]" 1
778 1 69 LEU H 1 70 ASN H . . 3.270 2.681 2.422 2.843 . 0 0 "[ . 1 . ]" 1
779 1 69 LEU HA 1 69 LEU QD . . 3.640 2.253 2.012 2.682 . 0 0 "[ . 1 . ]" 1
780 1 69 LEU HA 1 69 LEU HG . . 4.080 3.082 2.619 3.784 . 0 0 "[ . 1 . ]" 1
781 1 69 LEU HA 1 72 ARG QD . . 4.710 4.140 3.473 4.833 0.123 1 0 "[ . 1 . ]" 1
782 1 69 LEU QB 1 70 ASN H . . 3.320 2.557 2.363 2.829 . 0 0 "[ . 1 . ]" 1
783 1 69 LEU QD 1 70 ASN H . . 4.300 3.949 3.599 4.359 0.059 13 0 "[ . 1 . ]" 1
784 1 69 LEU MD1 1 70 ASN H . . 4.900 4.668 4.346 5.082 0.182 13 0 "[ . 1 . ]" 1
785 1 69 LEU MD2 1 70 ASN H . . 4.900 4.295 3.754 4.743 . 0 0 "[ . 1 . ]" 1
786 1 69 LEU HG 1 70 ASN H . . 4.900 4.514 3.615 5.324 0.424 12 0 "[ . 1 . ]" 1
787 1 70 ASN H 1 70 ASN HB2 . . 3.670 2.647 2.537 2.724 . 0 0 "[ . 1 . ]" 1
788 1 70 ASN H 1 70 ASN QB . . 3.150 2.328 2.232 2.633 . 0 0 "[ . 1 . ]" 1
789 1 70 ASN H 1 70 ASN HB3 . . 3.670 2.700 2.382 3.694 0.024 9 0 "[ . 1 . ]" 1
790 1 70 ASN H 1 71 LEU H . . 3.290 2.688 2.580 2.838 . 0 0 "[ . 1 . ]" 1
791 1 70 ASN H 1 72 ARG H . . 4.820 4.063 3.854 4.306 . 0 0 "[ . 1 . ]" 1
792 1 70 ASN HA 1 73 LYS H . . 4.180 3.329 3.183 3.526 . 0 0 "[ . 1 . ]" 1
793 1 70 ASN HA 1 74 ALA H . . 4.470 4.181 4.057 4.317 . 0 0 "[ . 1 . ]" 1
794 1 70 ASN QB 1 71 LEU H . . 3.680 2.804 2.753 2.849 . 0 0 "[ . 1 . ]" 1
795 1 70 ASN HB2 1 71 LEU H . . 4.260 3.852 2.835 4.139 . 0 0 "[ . 1 . ]" 1
796 1 70 ASN HB3 1 71 LEU H . . 4.260 3.053 2.798 3.936 . 0 0 "[ . 1 . ]" 1
797 1 71 LEU H 1 71 LEU HB2 . . 3.660 2.469 2.266 2.672 . 0 0 "[ . 1 . ]" 1
798 1 71 LEU H 1 71 LEU QB . . 3.120 2.273 2.188 2.577 . 0 0 "[ . 1 . ]" 1
799 1 71 LEU H 1 71 LEU HB3 . . 3.660 2.824 2.402 3.687 0.027 1 0 "[ . 1 . ]" 1
800 1 71 LEU H 1 71 LEU QD . . 3.730 3.726 3.087 3.874 0.144 7 0 "[ . 1 . ]" 1
801 1 71 LEU H 1 72 ARG H . . 3.550 2.406 2.299 2.497 . 0 0 "[ . 1 . ]" 1
802 1 71 LEU H 1 73 LYS H . . 4.760 3.670 3.441 3.872 . 0 0 "[ . 1 . ]" 1
803 1 71 LEU H 1 74 ALA H . . 5.380 4.559 4.436 4.682 . 0 0 "[ . 1 . ]" 1
804 1 71 LEU H 1 95 ILE MD . . 5.150 4.480 3.775 5.045 . 0 0 "[ . 1 . ]" 1
805 1 71 LEU HA 1 71 LEU QD . . 3.240 2.423 2.313 2.580 . 0 0 "[ . 1 . ]" 1
806 1 71 LEU HA 1 74 ALA H . . 4.160 3.321 2.994 3.581 . 0 0 "[ . 1 . ]" 1
807 1 71 LEU HA 1 74 ALA MB . . 3.580 2.588 2.128 3.014 . 0 0 "[ . 1 . ]" 1
808 1 71 LEU HB2 1 72 ARG H . . 3.950 3.592 2.836 4.019 0.069 5 0 "[ . 1 . ]" 1
809 1 71 LEU HB3 1 72 ARG H . . 3.950 2.897 2.557 4.031 0.081 12 0 "[ . 1 . ]" 1
810 1 71 LEU QD 1 74 ALA H . . 5.440 4.486 4.209 4.915 . 0 0 "[ . 1 . ]" 1
811 1 71 LEU QD 1 74 ALA MB . . 3.820 3.126 2.729 3.492 . 0 0 "[ . 1 . ]" 1
812 1 72 ARG H 1 72 ARG HB2 . . 3.860 2.625 2.528 2.734 . 0 0 "[ . 1 . ]" 1
813 1 72 ARG H 1 72 ARG QB . . 3.320 2.346 2.289 2.528 . 0 0 "[ . 1 . ]" 1
814 1 72 ARG H 1 72 ARG HB3 . . 3.860 2.684 2.502 3.692 . 0 0 "[ . 1 . ]" 1
815 1 72 ARG H 1 72 ARG QD . . 4.800 4.673 4.406 4.896 0.096 1 0 "[ . 1 . ]" 1
816 1 72 ARG H 1 72 ARG QG . . 3.980 3.956 2.518 4.079 0.099 1 0 "[ . 1 . ]" 1
817 1 72 ARG H 1 73 LYS H . . 3.840 2.547 2.470 2.647 . 0 0 "[ . 1 . ]" 1
818 1 72 ARG H 1 74 ALA H . . 4.790 3.960 3.778 4.150 . 0 0 "[ . 1 . ]" 1
819 1 72 ARG H 1 95 ILE MD . . 4.110 3.331 2.828 3.953 . 0 0 "[ . 1 . ]" 1
820 1 72 ARG HA 1 95 ILE MD . . 3.740 3.113 2.512 3.650 . 0 0 "[ . 1 . ]" 1
821 1 72 ARG QB 1 72 ARG QD . . 3.310 2.290 2.126 2.443 . 0 0 "[ . 1 . ]" 1
822 1 72 ARG QB 1 73 LYS H . . 3.790 3.129 3.079 3.227 . 0 0 "[ . 1 . ]" 1
823 1 72 ARG QB 1 95 ILE MD . . 3.870 2.517 2.273 4.370 0.500 5 0 "[ . 1 . ]" 1
824 1 72 ARG QB 1 96 THR MG . . 4.390 4.280 3.758 4.662 0.272 5 0 "[ . 1 . ]" 1
825 1 72 ARG HB2 1 73 LYS H . . 4.650 4.158 3.205 4.323 . 0 0 "[ . 1 . ]" 1
826 1 72 ARG HB3 1 73 LYS H . . 4.650 3.280 3.170 4.060 . 0 0 "[ . 1 . ]" 1
827 1 72 ARG QD 1 96 THR HA . . 5.020 4.881 4.389 5.308 0.288 6 0 "[ . 1 . ]" 1
828 1 72 ARG QD 1 96 THR HB . . 5.340 5.485 5.169 5.782 0.442 6 0 "[ . 1 . ]" 1
829 1 72 ARG QD 1 96 THR MG . . 3.730 2.930 2.839 3.063 . 0 0 "[ . 1 . ]" 1
830 1 72 ARG QG 1 95 ILE MD . . 4.390 3.285 2.697 4.035 . 0 0 "[ . 1 . ]" 1
831 1 72 ARG QG 1 96 THR MG . . 3.750 3.625 3.031 4.124 0.374 15 0 "[ . 1 . ]" 1
832 1 73 LYS H 1 73 LYS HB2 . . 3.590 2.595 2.423 2.838 . 0 0 "[ . 1 . ]" 1
833 1 73 LYS H 1 73 LYS HB3 . . 3.590 2.829 2.341 3.685 0.095 1 0 "[ . 1 . ]" 1
834 1 73 LYS H 1 73 LYS QD . . 4.550 4.323 3.818 4.779 0.229 8 0 "[ . 1 . ]" 1
835 1 73 LYS H 1 74 ALA H . . 3.640 2.255 2.180 2.333 . 0 0 "[ . 1 . ]" 1
836 1 73 LYS H 1 74 ALA MB . . 4.660 4.003 3.913 4.075 . 0 0 "[ . 1 . ]" 1
837 1 73 LYS QB 1 74 ALA H . . 3.540 2.906 2.834 3.047 . 0 0 "[ . 1 . ]" 1
838 1 73 LYS QB 1 74 ALA MB . . 4.410 3.943 3.738 4.137 . 0 0 "[ . 1 . ]" 1
839 1 73 LYS HB2 1 74 ALA H . . 4.290 3.768 2.965 4.132 . 0 0 "[ . 1 . ]" 1
840 1 73 LYS HB3 1 74 ALA H . . 4.290 3.202 2.911 3.965 . 0 0 "[ . 1 . ]" 1
841 1 73 LYS QD 1 74 ALA H . . 4.960 4.715 3.889 5.253 0.293 1 0 "[ . 1 . ]" 1
842 1 74 ALA H 1 74 ALA MB . . 3.020 2.271 2.237 2.334 . 0 0 "[ . 1 . ]" 1
843 1 74 ALA H 1 75 LEU H . . 3.500 2.510 2.401 2.677 . 0 0 "[ . 1 . ]" 1
844 1 74 ALA H 1 75 LEU QD . . 5.440 4.351 3.901 4.649 . 0 0 "[ . 1 . ]" 1
845 1 74 ALA MB 1 75 LEU H . . 3.600 2.804 2.355 3.092 . 0 0 "[ . 1 . ]" 1
846 1 74 ALA MB 1 75 LEU QD . . 3.540 2.658 2.137 3.087 . 0 0 "[ . 1 . ]" 1
847 1 74 ALA MB 1 75 LEU HG . . 4.820 3.536 3.230 4.502 . 0 0 "[ . 1 . ]" 1
848 1 74 ALA MB 1 76 THR H . . 5.200 4.780 4.503 4.981 . 0 0 "[ . 1 . ]" 1
849 1 74 ALA MB 1 78 LEU QD . . 4.250 3.693 2.924 4.043 . 0 0 "[ . 1 . ]" 1
850 1 75 LEU H 1 75 LEU HB2 . . 3.910 2.650 2.383 2.823 . 0 0 "[ . 1 . ]" 1
851 1 75 LEU H 1 75 LEU QB . . 3.400 2.598 2.352 2.756 . 0 0 "[ . 1 . ]" 1
852 1 75 LEU H 1 75 LEU HB3 . . 3.910 3.756 3.622 3.876 . 0 0 "[ . 1 . ]" 1
853 1 75 LEU H 1 75 LEU QD . . 4.050 3.074 2.611 3.376 . 0 0 "[ . 1 . ]" 1
854 1 75 LEU H 1 75 LEU HG . . 4.210 3.118 2.781 4.283 0.073 12 0 "[ . 1 . ]" 1
855 1 75 LEU H 1 76 THR H . . 3.690 2.437 2.247 2.771 . 0 0 "[ . 1 . ]" 1
856 1 75 LEU HA 1 75 LEU QD . . 3.100 2.364 2.292 2.523 . 0 0 "[ . 1 . ]" 1
857 1 75 LEU HA 1 78 LEU H . . 4.750 3.603 3.426 3.834 . 0 0 "[ . 1 . ]" 1
858 1 75 LEU HA 1 78 LEU QD . . 3.480 2.824 2.775 2.875 . 0 0 "[ . 1 . ]" 1
859 1 75 LEU HA 1 78 LEU HG . . 4.050 3.256 3.119 3.357 . 0 0 "[ . 1 . ]" 1
860 1 75 LEU HA 1 84 LEU QD . . 4.450 2.911 2.734 3.240 . 0 0 "[ . 1 . ]" 1
861 1 75 LEU QB 1 76 THR H . . 4.380 3.022 2.921 3.192 . 0 0 "[ . 1 . ]" 1
862 1 75 LEU QB 1 92 TYR QD . . 3.530 3.210 2.778 3.535 0.005 13 0 "[ . 1 . ]" 1
863 1 75 LEU QB 1 95 ILE MD . . 4.210 4.240 3.710 4.630 0.420 15 0 "[ . 1 . ]" 1
864 1 75 LEU HB2 1 92 TYR QD . . 4.070 3.377 3.073 3.710 . 0 0 "[ . 1 . ]" 1
865 1 75 LEU HB3 1 92 TYR QD . . 4.070 4.054 3.144 4.467 0.397 15 0 "[ . 1 . ]" 1
866 1 75 LEU QD 1 78 LEU H . . 5.290 5.097 4.934 5.265 . 0 0 "[ . 1 . ]" 1
867 1 75 LEU QD 1 78 LEU QB . . 4.550 3.861 3.597 4.274 . 0 0 "[ . 1 . ]" 1
868 1 75 LEU QD 1 78 LEU QD . . 2.790 2.808 2.637 3.093 0.303 12 0 "[ . 1 . ]" 1
869 1 75 LEU QD 1 78 LEU HG . . 3.830 4.279 4.101 4.408 0.578 9 5 "[ *.* +- * . ]" 1
870 1 75 LEU QD 1 84 LEU QD . . 3.010 1.986 1.673 2.447 . 0 0 "[ . 1 . ]" 1
871 1 75 LEU QD 1 92 TYR H . . 4.300 4.297 3.812 4.633 0.333 2 0 "[ . 1 . ]" 1
872 1 75 LEU QD 1 92 TYR HA . . 4.120 3.592 3.266 3.952 . 0 0 "[ . 1 . ]" 1
873 1 75 LEU QD 1 92 TYR QD . . 3.430 3.111 3.076 3.140 . 0 0 "[ . 1 . ]" 1
874 1 75 LEU QD 1 92 TYR QE . . 4.460 4.377 4.130 4.559 0.099 10 0 "[ . 1 . ]" 1
875 1 76 THR H 1 76 THR HB . . 3.700 2.554 2.453 2.687 . 0 0 "[ . 1 . ]" 1
876 1 76 THR H 1 76 THR MG . . 4.370 3.859 3.820 3.884 . 0 0 "[ . 1 . ]" 1
877 1 76 THR H 1 77 PRO HD2 . . 4.000 2.980 2.864 3.041 . 0 0 "[ . 1 . ]" 1
878 1 76 THR H 1 77 PRO HD3 . . 4.000 2.793 2.737 2.868 . 0 0 "[ . 1 . ]" 1
879 1 76 THR H 1 77 PRO QG . . 4.620 4.518 4.487 4.541 . 0 0 "[ . 1 . ]" 1
880 1 76 THR H 1 78 LEU HG . . 5.010 5.414 5.258 5.549 0.539 14 2 "[ . 1 +- ]" 1
881 1 76 THR H 1 92 TYR QE . . 4.670 3.970 3.524 4.614 . 0 0 "[ . 1 . ]" 1
882 1 76 THR HA 1 76 THR MG . . 3.480 2.551 2.461 2.637 . 0 0 "[ . 1 . ]" 1
883 1 76 THR HA 1 79 ALA H . . 4.270 3.379 3.256 3.521 . 0 0 "[ . 1 . ]" 1
884 1 76 THR HA 1 79 ALA MB . . 3.630 2.401 2.194 2.595 . 0 0 "[ . 1 . ]" 1
885 1 76 THR HA 1 92 TYR QE . . 3.840 3.689 3.195 4.121 0.281 10 0 "[ . 1 . ]" 1
886 1 76 THR HB 1 77 PRO HD2 . . 3.810 3.699 3.617 3.774 . 0 0 "[ . 1 . ]" 1
887 1 76 THR HB 1 77 PRO HD3 . . 3.810 2.247 2.186 2.315 . 0 0 "[ . 1 . ]" 1
888 1 76 THR MG 1 77 PRO HA . . 3.960 3.522 3.449 3.608 . 0 0 "[ . 1 . ]" 1
889 1 76 THR MG 1 77 PRO HD2 . . 4.180 4.440 4.278 4.610 0.430 3 0 "[ . 1 . ]" 1
890 1 76 THR MG 1 77 PRO QD . . 3.590 3.232 3.035 3.434 . 0 0 "[ . 1 . ]" 1
891 1 76 THR MG 1 77 PRO HD3 . . 4.180 3.321 3.105 3.543 . 0 0 "[ . 1 . ]" 1
892 1 76 THR MG 1 79 ALA H . . 5.060 4.630 4.538 4.764 . 0 0 "[ . 1 . ]" 1
893 1 76 THR MG 1 79 ALA MB . . 4.600 3.447 3.249 3.716 . 0 0 "[ . 1 . ]" 1
894 1 76 THR MG 1 80 ILE H . . 4.680 4.008 3.863 4.203 . 0 0 "[ . 1 . ]" 1
895 1 76 THR MG 1 80 ILE HB . . 5.030 4.340 4.165 4.522 . 0 0 "[ . 1 . ]" 1
896 1 76 THR MG 1 80 ILE MD . . 3.090 2.271 2.065 2.540 . 0 0 "[ . 1 . ]" 1
897 1 76 THR MG 1 80 ILE QG . . 3.870 2.656 2.480 2.923 . 0 0 "[ . 1 . ]" 1
898 1 76 THR MG 1 92 TYR QE . . 5.500 4.215 4.004 4.907 . 0 0 "[ . 1 . ]" 1
899 1 77 PRO HA 1 79 ALA MB . . 5.150 4.850 4.709 4.983 . 0 0 "[ . 1 . ]" 1
900 1 77 PRO HA 1 80 ILE H . . 4.160 3.582 3.384 3.873 . 0 0 "[ . 1 . ]" 1
901 1 77 PRO HA 1 80 ILE HB . . 3.850 2.894 2.666 3.290 . 0 0 "[ . 1 . ]" 1
902 1 77 PRO HA 1 80 ILE MD . . 3.790 2.823 2.379 3.474 . 0 0 "[ . 1 . ]" 1
903 1 77 PRO HA 1 80 ILE MG . . 5.410 4.249 4.067 4.632 . 0 0 "[ . 1 . ]" 1
904 1 77 PRO HA 1 81 ASN H . . 4.320 4.083 3.795 4.303 . 0 0 "[ . 1 . ]" 1
905 1 77 PRO QB 1 78 LEU QD . . 4.600 3.093 2.961 3.213 . 0 0 "[ . 1 . ]" 1
906 1 77 PRO QD 1 78 LEU H . . 4.000 2.570 2.517 2.722 . 0 0 "[ . 1 . ]" 1
907 1 77 PRO QD 1 78 LEU QD . . 5.350 3.981 3.933 4.052 . 0 0 "[ . 1 . ]" 1
908 1 77 PRO QG 1 78 LEU H . . 4.060 3.826 3.688 3.930 . 0 0 "[ . 1 . ]" 1
909 1 77 PRO QG 1 78 LEU QD . . 4.660 4.351 4.161 4.521 . 0 0 "[ . 1 . ]" 1
910 1 77 PRO HG2 1 78 LEU H . . 4.710 4.104 3.909 4.249 . 0 0 "[ . 1 . ]" 1
911 1 77 PRO HG3 1 78 LEU H . . 4.710 4.574 4.521 4.637 . 0 0 "[ . 1 . ]" 1
912 1 78 LEU H 1 78 LEU HB2 . . 4.180 2.753 2.725 2.801 . 0 0 "[ . 1 . ]" 1
913 1 78 LEU H 1 78 LEU QB . . 3.510 2.683 2.659 2.722 . 0 0 "[ . 1 . ]" 1
914 1 78 LEU H 1 78 LEU HB3 . . 4.180 3.706 3.677 3.734 . 0 0 "[ . 1 . ]" 1
915 1 78 LEU H 1 78 LEU QD . . 3.790 2.991 2.914 3.064 . 0 0 "[ . 1 . ]" 1
916 1 78 LEU H 1 78 LEU HG . . 3.350 2.309 2.137 2.411 . 0 0 "[ . 1 . ]" 1
917 1 78 LEU H 1 79 ALA H . . 3.420 2.540 2.452 2.589 . 0 0 "[ . 1 . ]" 1
918 1 78 LEU H 1 79 ALA MB . . 4.400 4.231 4.116 4.287 . 0 0 "[ . 1 . ]" 1
919 1 78 LEU HA 1 78 LEU QD . . 3.210 2.351 2.317 2.377 . 0 0 "[ . 1 . ]" 1
920 1 78 LEU HA 1 78 LEU HG . . 4.130 3.396 3.339 3.465 . 0 0 "[ . 1 . ]" 1
921 1 78 LEU HA 1 81 ASN H . . 4.540 3.499 3.268 3.770 . 0 0 "[ . 1 . ]" 1
922 1 78 LEU HA 1 81 ASN QD . . 4.840 3.962 3.474 4.811 . 0 0 "[ . 1 . ]" 1
923 1 78 LEU HA 1 83 THR H . . 4.440 3.935 3.163 4.256 . 0 0 "[ . 1 . ]" 1
924 1 78 LEU HA 1 83 THR MG . . 4.590 3.118 2.866 4.113 . 0 0 "[ . 1 . ]" 1
925 1 78 LEU QB 1 78 LEU QD . . 2.840 2.050 2.034 2.064 . 0 0 "[ . 1 . ]" 1
926 1 78 LEU QB 1 79 ALA H . . 3.580 2.880 2.748 3.096 . 0 0 "[ . 1 . ]" 1
927 1 78 LEU QB 1 83 THR MG . . 3.650 2.873 2.234 4.258 0.608 13 3 "[ . - +*. ]" 1
928 1 78 LEU QB 1 84 LEU H . . 4.270 3.478 2.838 3.792 . 0 0 "[ . 1 . ]" 1
929 1 78 LEU QB 1 84 LEU HA . . 4.360 3.604 3.017 3.958 . 0 0 "[ . 1 . ]" 1
930 1 78 LEU QB 1 84 LEU QD . . 3.140 2.611 2.219 2.905 . 0 0 "[ . 1 . ]" 1
931 1 78 LEU HB2 1 79 ALA H . . 4.160 2.951 2.810 3.186 . 0 0 "[ . 1 . ]" 1
932 1 78 LEU HB3 1 79 ALA H . . 4.160 4.022 3.889 4.211 0.051 13 0 "[ . 1 . ]" 1
933 1 78 LEU QD 1 79 ALA H . . 4.640 4.258 4.218 4.316 . 0 0 "[ . 1 . ]" 1
934 1 78 LEU QD 1 81 ASN QD . . 4.150 3.956 3.382 4.686 0.536 10 1 "[ . + . ]" 1
935 1 78 LEU QD 1 83 THR HB . . 5.060 4.757 3.657 5.396 0.336 11 0 "[ . 1 . ]" 1
936 1 78 LEU QD 1 83 THR MG . . 4.070 2.863 2.529 3.866 . 0 0 "[ . 1 . ]" 1
937 1 78 LEU QD 1 84 LEU H . . 4.750 4.667 4.217 4.953 0.203 12 0 "[ . 1 . ]" 1
938 1 78 LEU QD 1 84 LEU HA . . 3.850 3.927 3.444 4.207 0.357 2 0 "[ . 1 . ]" 1
939 1 78 LEU QD 1 84 LEU QD . . 2.740 2.806 2.367 3.076 0.336 2 0 "[ . 1 . ]" 1
940 1 78 LEU QD 1 85 ASN H . . 5.500 5.298 4.696 5.731 0.231 10 0 "[ . 1 . ]" 1
941 1 78 LEU HG 1 79 ALA H . . 4.200 4.310 4.211 4.384 0.184 15 0 "[ . 1 . ]" 1
942 1 78 LEU HG 1 84 LEU QD . . 4.270 4.312 3.834 4.556 0.286 14 0 "[ . 1 . ]" 1
943 1 79 ALA H 1 79 ALA MB . . 3.100 2.261 2.239 2.288 . 0 0 "[ . 1 . ]" 1
944 1 79 ALA H 1 80 ILE H . . 3.610 2.606 2.547 2.730 . 0 0 "[ . 1 . ]" 1
945 1 79 ALA H 1 81 ASN H . . 4.540 3.996 3.812 4.114 . 0 0 "[ . 1 . ]" 1
946 1 79 ALA H 1 84 LEU H . . 5.420 5.223 4.853 5.581 0.161 9 0 "[ . 1 . ]" 1
947 1 79 ALA H 1 84 LEU QD . . 4.860 3.882 3.402 4.399 . 0 0 "[ . 1 . ]" 1
948 1 79 ALA HA 1 83 THR H . . 4.670 3.927 3.605 4.360 . 0 0 "[ . 1 . ]" 1
949 1 79 ALA HA 1 84 LEU H . . 4.330 3.670 3.392 3.914 . 0 0 "[ . 1 . ]" 1
950 1 79 ALA HA 1 84 LEU QB . . 4.400 2.981 2.816 3.414 . 0 0 "[ . 1 . ]" 1
951 1 79 ALA HA 1 84 LEU QD . . 4.170 3.548 3.222 3.933 . 0 0 "[ . 1 . ]" 1
952 1 79 ALA MB 1 80 ILE H . . 3.150 2.419 2.229 2.564 . 0 0 "[ . 1 . ]" 1
953 1 79 ALA MB 1 80 ILE QG . . 3.570 3.043 2.810 3.230 . 0 0 "[ . 1 . ]" 1
954 1 79 ALA MB 1 82 ARG H . . 5.080 4.380 4.299 4.575 . 0 0 "[ . 1 . ]" 1
955 1 79 ALA MB 1 84 LEU QD . . 3.770 2.919 2.522 3.317 . 0 0 "[ . 1 . ]" 1
956 1 79 ALA MB 1 92 TYR QD . . 4.260 4.161 3.486 4.548 0.288 1 0 "[ . 1 . ]" 1
957 1 79 ALA MB 1 92 TYR QE . . 3.530 3.298 2.470 3.921 0.391 7 0 "[ . 1 . ]" 1
958 1 80 ILE H 1 80 ILE HB . . 3.300 2.539 2.476 2.594 . 0 0 "[ . 1 . ]" 1
959 1 80 ILE H 1 80 ILE MD . . 3.740 3.642 3.521 3.726 . 0 0 "[ . 1 . ]" 1
960 1 80 ILE H 1 80 ILE HG12 . . 3.640 3.433 3.343 3.531 . 0 0 "[ . 1 . ]" 1
961 1 80 ILE H 1 80 ILE QG . . 3.170 2.176 2.137 2.212 . 0 0 "[ . 1 . ]" 1
962 1 80 ILE H 1 80 ILE HG13 . . 3.640 2.201 2.160 2.235 . 0 0 "[ . 1 . ]" 1
963 1 80 ILE H 1 81 ASN H . . 3.460 2.680 2.532 2.761 . 0 0 "[ . 1 . ]" 1
964 1 80 ILE H 1 82 ARG H . . 4.650 3.766 3.650 3.880 . 0 0 "[ . 1 . ]" 1
965 1 80 ILE HA 1 80 ILE MD . . 3.970 3.906 3.865 3.934 . 0 0 "[ . 1 . ]" 1
966 1 80 ILE HA 1 80 ILE HG12 . . 3.940 2.622 2.548 2.689 . 0 0 "[ . 1 . ]" 1
967 1 80 ILE HA 1 80 ILE HG13 . . 3.940 3.088 3.013 3.158 . 0 0 "[ . 1 . ]" 1
968 1 80 ILE HA 1 80 ILE MG . . 3.170 2.516 2.487 2.548 . 0 0 "[ . 1 . ]" 1
969 1 80 ILE HB 1 80 ILE MD . . 3.340 2.475 2.422 2.524 . 0 0 "[ . 1 . ]" 1
970 1 80 ILE HB 1 81 ASN H . . 3.480 2.660 2.464 2.828 . 0 0 "[ . 1 . ]" 1
971 1 80 ILE MD 1 80 ILE MG . . 2.600 2.015 1.975 2.035 . 0 0 "[ . 1 . ]" 1
972 1 80 ILE MD 1 81 ASN H . . 4.690 4.677 4.570 4.863 0.173 16 0 "[ . 1 . ]" 1
973 1 80 ILE QG 1 80 ILE MG . . 3.140 2.428 2.396 2.463 . 0 0 "[ . 1 . ]" 1
974 1 80 ILE QG 1 81 ASN H . . 4.250 4.082 3.988 4.148 . 0 0 "[ . 1 . ]" 1
975 1 80 ILE MG 1 81 ASN H . . 3.820 3.458 3.320 3.637 . 0 0 "[ . 1 . ]" 1
976 1 80 ILE MG 1 81 ASN HA . . 4.380 3.599 3.412 3.782 . 0 0 "[ . 1 . ]" 1
977 1 80 ILE MG 1 82 ARG H . . 5.500 4.835 4.706 4.941 . 0 0 "[ . 1 . ]" 1
978 1 81 ASN H 1 81 ASN HB2 . . 3.770 2.473 2.367 2.640 . 0 0 "[ . 1 . ]" 1
979 1 81 ASN H 1 81 ASN QB . . 3.170 2.369 2.307 2.438 . 0 0 "[ . 1 . ]" 1
980 1 81 ASN H 1 81 ASN HB3 . . 3.770 3.321 2.574 3.660 . 0 0 "[ . 1 . ]" 1
981 1 81 ASN H 1 82 ARG H . . 3.130 2.520 2.389 2.598 . 0 0 "[ . 1 . ]" 1
982 1 81 ASN H 1 82 ARG HA . . 4.850 4.764 4.628 4.855 0.005 10 0 "[ . 1 . ]" 1
983 1 81 ASN H 1 83 THR H . . 4.460 4.607 4.355 4.776 0.316 15 0 "[ . 1 . ]" 1
984 1 81 ASN HA 1 83 THR MG . . 5.120 5.152 4.457 5.780 0.660 8 3 "[ - .* + 1 . ]" 1
985 1 81 ASN QB 1 83 THR H . . 4.390 3.814 3.678 4.101 . 0 0 "[ . 1 . ]" 1
986 1 81 ASN HB2 1 83 THR H . . 5.080 4.508 3.916 5.763 0.683 5 2 "[- + 1 . ]" 1
987 1 81 ASN HB2 1 83 THR MG . . 4.270 3.670 3.010 4.866 0.596 8 2 "[ .- + 1 . ]" 1
988 1 81 ASN HB3 1 83 THR H . . 5.080 4.412 3.807 4.888 . 0 0 "[ . 1 . ]" 1
989 1 81 ASN HB3 1 83 THR MG . . 4.270 3.321 2.956 3.936 . 0 0 "[ . 1 . ]" 1
990 1 81 ASN QD 1 83 THR MG . . 4.700 3.945 3.239 5.153 0.453 13 0 "[ . 1 . ]" 1
991 1 82 ARG H 1 82 ARG HD2 . . 5.500 5.403 5.191 5.689 0.189 2 0 "[ . 1 . ]" 1
992 1 82 ARG H 1 82 ARG HD3 . . 5.500 5.389 4.292 5.707 0.207 13 0 "[ . 1 . ]" 1
993 1 82 ARG H 1 82 ARG HG2 . . 4.420 3.613 3.010 3.827 . 0 0 "[ . 1 . ]" 1
994 1 82 ARG H 1 82 ARG QG . . 3.560 2.953 2.901 3.012 . 0 0 "[ . 1 . ]" 1
995 1 82 ARG H 1 82 ARG HG3 . . 4.420 3.275 3.005 4.495 0.075 11 0 "[ . 1 . ]" 1
996 1 82 ARG H 1 83 THR H . . 3.610 2.804 2.615 2.915 . 0 0 "[ . 1 . ]" 1
997 1 82 ARG H 1 83 THR MG . . 4.730 4.172 4.017 4.492 . 0 0 "[ . 1 . ]" 1
998 1 82 ARG HA 1 82 ARG HD2 . . 5.500 4.665 3.796 4.882 . 0 0 "[ . 1 . ]" 1
999 1 82 ARG HA 1 82 ARG QD . . 4.820 4.068 3.165 4.294 . 0 0 "[ . 1 . ]" 1
1000 1 82 ARG HA 1 82 ARG HD3 . . 5.500 4.521 3.273 5.019 . 0 0 "[ . 1 . ]" 1
1001 1 82 ARG HA 1 82 ARG QG . . 3.600 2.590 2.431 3.076 . 0 0 "[ . 1 . ]" 1
1002 1 82 ARG HA 1 83 THR MG . . 4.780 4.675 4.460 4.916 0.136 16 0 "[ . 1 . ]" 1
1003 1 82 ARG HA 1 84 LEU H . . 4.590 3.440 3.234 3.628 . 0 0 "[ . 1 . ]" 1
1004 1 82 ARG QB 1 82 ARG QD . . 3.230 2.305 2.153 2.441 . 0 0 "[ . 1 . ]" 1
1005 1 83 THR H 1 83 THR MG . . 3.590 2.495 2.219 3.104 . 0 0 "[ . 1 . ]" 1
1006 1 83 THR H 1 84 LEU H . . 3.340 1.977 1.835 2.256 . 0 0 "[ . 1 . ]" 1
1007 1 83 THR H 1 84 LEU QB . . 4.480 3.644 3.430 3.980 . 0 0 "[ . 1 . ]" 1
1008 1 83 THR HA 1 83 THR MG . . 3.300 3.089 2.375 3.261 . 0 0 "[ . 1 . ]" 1
1009 1 83 THR HB 1 84 LEU H . . 4.790 4.357 4.014 4.543 . 0 0 "[ . 1 . ]" 1
1010 1 83 THR MG 1 84 LEU H . . 4.470 3.390 2.926 4.314 . 0 0 "[ . 1 . ]" 1
1011 1 84 LEU H 1 84 LEU QB . . 3.470 2.235 2.199 2.270 . 0 0 "[ . 1 . ]" 1
1012 1 84 LEU H 1 84 LEU QD . . 3.890 3.807 3.742 3.844 . 0 0 "[ . 1 . ]" 1
1013 1 84 LEU HA 1 84 LEU QD . . 3.400 2.752 2.465 3.216 . 0 0 "[ . 1 . ]" 1
1014 1 84 LEU HA 1 85 ASN QB . . 4.670 4.298 4.182 4.649 . 0 0 "[ . 1 . ]" 1
1015 1 84 LEU QD 1 85 ASN H . . 4.170 2.781 2.598 3.212 . 0 0 "[ . 1 . ]" 1
1016 1 84 LEU QD 1 89 SER H . . 5.440 4.782 4.209 5.404 . 0 0 "[ . 1 . ]" 1
1017 1 84 LEU QD 1 89 SER HA . . 4.140 3.784 3.313 4.232 0.092 11 0 "[ . 1 . ]" 1
1018 1 84 LEU QD 1 92 TYR H . . 5.190 5.022 4.690 5.477 0.287 11 0 "[ . 1 . ]" 1
1019 1 84 LEU QD 1 92 TYR QB . . 3.690 3.472 3.089 3.812 0.122 2 0 "[ . 1 . ]" 1
1020 1 84 LEU QD 1 92 TYR QD . . 4.160 4.036 2.994 4.621 0.461 6 0 "[ . 1 . ]" 1
1021 1 85 ASN H 1 88 LEU QD . . 5.440 4.824 4.112 5.629 0.189 2 0 "[ . 1 . ]" 1
1022 1 85 ASN HA 1 85 ASN QD . . 3.960 3.975 3.136 4.176 0.216 6 0 "[ . 1 . ]" 1
1023 1 85 ASN HA 1 87 ASP H . . 4.440 4.297 4.188 4.420 . 0 0 "[ . 1 . ]" 1
1024 1 85 ASN QB 1 87 ASP H . . 4.500 2.972 2.868 3.064 . 0 0 "[ . 1 . ]" 1
1025 1 85 ASN QB 1 88 LEU H . . 4.500 4.506 4.326 4.699 0.199 2 0 "[ . 1 . ]" 1
1026 1 85 ASN QB 1 88 LEU QD . . 4.110 3.435 3.091 3.769 . 0 0 "[ . 1 . ]" 1
1027 1 85 ASN QB 1 88 LEU HG . . 4.770 5.012 4.914 5.244 0.474 7 0 "[ . 1 . ]" 1
1028 1 85 ASN QD 1 87 ASP H . . 4.760 3.690 3.333 5.105 0.345 10 0 "[ . 1 . ]" 1
1029 1 85 ASN QD 1 88 LEU QD . . 4.720 3.775 3.228 5.212 0.492 15 0 "[ . 1 . ]" 1
1030 1 86 HIS HB2 1 87 ASP H . . 4.470 4.397 3.694 4.547 0.077 11 0 "[ . 1 . ]" 1
1031 1 86 HIS HB3 1 87 ASP H . . 4.470 3.736 3.484 4.333 . 0 0 "[ . 1 . ]" 1
1032 1 87 ASP H 1 87 ASP HB2 . . 3.780 2.688 2.490 2.790 . 0 0 "[ . 1 . ]" 1
1033 1 87 ASP H 1 87 ASP QB . . 3.230 2.331 2.259 2.453 . 0 0 "[ . 1 . ]" 1
1034 1 87 ASP H 1 87 ASP HB3 . . 3.780 2.610 2.387 3.696 . 0 0 "[ . 1 . ]" 1
1035 1 87 ASP H 1 88 LEU H . . 3.670 2.637 2.528 2.772 . 0 0 "[ . 1 . ]" 1
1036 1 87 ASP H 1 88 LEU QD . . 4.810 3.434 3.400 3.516 . 0 0 "[ . 1 . ]" 1
1037 1 87 ASP H 1 89 SER H . . 4.500 4.368 4.204 4.539 0.039 13 0 "[ . 1 . ]" 1
1038 1 87 ASP QB 1 88 LEU H . . 4.270 3.453 3.359 3.531 . 0 0 "[ . 1 . ]" 1
1039 1 87 ASP HB2 1 88 LEU H . . 4.980 4.401 3.682 4.541 . 0 0 "[ . 1 . ]" 1
1040 1 87 ASP HB3 1 88 LEU H . . 4.980 3.636 3.487 4.239 . 0 0 "[ . 1 . ]" 1
1041 1 88 LEU H 1 88 LEU QB . . 3.580 3.228 3.159 3.297 . 0 0 "[ . 1 . ]" 1
1042 1 88 LEU H 1 88 LEU QD . . 3.920 2.442 2.312 2.556 . 0 0 "[ . 1 . ]" 1
1043 1 88 LEU H 1 88 LEU HG . . 4.070 2.593 2.493 2.754 . 0 0 "[ . 1 . ]" 1
1044 1 88 LEU H 1 89 SER H . . 3.080 2.556 2.480 2.652 . 0 0 "[ . 1 . ]" 1
1045 1 88 LEU H 1 89 SER HA . . 4.440 4.233 4.100 4.359 . 0 0 "[ . 1 . ]" 1
1046 1 88 LEU HA 1 88 LEU QD . . 3.890 3.417 3.331 3.479 . 0 0 "[ . 1 . ]" 1
1047 1 88 LEU HA 1 89 SER H . . 3.500 2.763 2.692 2.900 . 0 0 "[ . 1 . ]" 1
1048 1 88 LEU QB 1 89 SER H . . 4.450 4.048 4.023 4.082 . 0 0 "[ . 1 . ]" 1
1049 1 88 LEU QD 1 89 SER H . . 5.000 4.317 4.249 4.386 . 0 0 "[ . 1 . ]" 1
1050 1 88 LEU HG 1 89 SER H . . 4.690 4.306 4.119 4.456 . 0 0 "[ . 1 . ]" 1
1051 1 89 SER H 1 89 SER HA . . 2.880 2.799 2.762 2.831 . 0 0 "[ . 1 . ]" 1
1052 1 89 SER H 1 90 GLU H . . 3.600 2.684 2.594 2.765 . 0 0 "[ . 1 . ]" 1
1053 1 89 SER HA 1 91 LEU H . . 4.530 4.005 3.811 4.247 . 0 0 "[ . 1 . ]" 1
1054 1 89 SER HA 1 92 TYR H . . 3.830 3.369 3.158 3.559 . 0 0 "[ . 1 . ]" 1
1055 1 89 SER HA 1 92 TYR QB . . 4.320 2.807 2.707 2.969 . 0 0 "[ . 1 . ]" 1
1056 1 89 SER HA 1 92 TYR QD . . 4.370 4.137 3.680 4.349 . 0 0 "[ . 1 . ]" 1
1057 1 89 SER HA 1 93 LYS H . . 4.300 4.291 4.116 4.451 0.151 3 0 "[ . 1 . ]" 1
1058 1 90 GLU H 1 90 GLU QB . . 3.160 2.321 2.188 2.413 . 0 0 "[ . 1 . ]" 1
1059 1 90 GLU H 1 90 GLU HG2 . . 4.030 3.827 2.567 4.670 0.640 5 3 "[ + *1 - . ]" 1
1060 1 90 GLU H 1 90 GLU HG3 . . 4.030 3.441 2.568 4.566 0.536 4 5 "[- +* *1 * . ]" 1
1061 1 90 GLU H 1 91 LEU H . . 3.300 2.633 2.500 2.875 . 0 0 "[ . 1 . ]" 1
1062 1 90 GLU HA 1 90 GLU HG2 . . 4.020 3.021 2.614 3.865 . 0 0 "[ . 1 . ]" 1
1063 1 90 GLU HA 1 90 GLU QG . . 3.530 2.679 2.508 3.420 . 0 0 "[ . 1 . ]" 1
1064 1 90 GLU HA 1 90 GLU HG3 . . 4.020 3.181 2.663 3.814 . 0 0 "[ . 1 . ]" 1
1065 1 90 GLU HA 1 93 LYS H . . 4.520 3.314 3.094 3.744 . 0 0 "[ . 1 . ]" 1
1066 1 90 GLU HA 1 94 PHE H . . 4.520 4.002 3.728 4.203 . 0 0 "[ . 1 . ]" 1
1067 1 90 GLU QB 1 91 LEU H . . 3.420 2.982 2.690 3.505 0.085 6 0 "[ . 1 . ]" 1
1068 1 91 LEU H 1 91 LEU HB2 . . 3.540 2.486 2.261 2.684 . 0 0 "[ . 1 . ]" 1
1069 1 91 LEU H 1 91 LEU HB3 . . 3.540 2.599 2.403 2.894 . 0 0 "[ . 1 . ]" 1
1070 1 91 LEU H 1 91 LEU QD . . 4.020 3.806 3.723 3.885 . 0 0 "[ . 1 . ]" 1
1071 1 91 LEU H 1 92 TYR H . . 3.480 2.528 2.316 2.633 . 0 0 "[ . 1 . ]" 1
1072 1 91 LEU HA 1 91 LEU QD . . 3.290 2.327 2.004 3.039 . 0 0 "[ . 1 . ]" 1
1073 1 91 LEU QB 1 92 TYR H . . 3.380 2.550 2.512 2.665 . 0 0 "[ . 1 . ]" 1
1074 1 91 LEU HB2 1 92 TYR H . . 3.960 3.767 3.518 3.890 . 0 0 "[ . 1 . ]" 1
1075 1 91 LEU HB3 1 92 TYR H . . 3.960 2.595 2.550 2.720 . 0 0 "[ . 1 . ]" 1
1076 1 91 LEU QD 1 92 TYR H . . 5.010 3.762 3.528 3.958 . 0 0 "[ . 1 . ]" 1
1077 1 91 LEU QD 1 94 PHE H . . 5.440 4.340 4.088 4.564 . 0 0 "[ . 1 . ]" 1
1078 1 91 LEU QD 1 94 PHE QB . . 4.090 2.888 2.593 3.437 . 0 0 "[ . 1 . ]" 1
1079 1 91 LEU QD 1 94 PHE QD . . 4.030 2.973 2.600 3.648 . 0 0 "[ . 1 . ]" 1
1080 1 91 LEU QD 1 95 ILE MG . . 3.830 2.581 2.273 2.990 . 0 0 "[ . 1 . ]" 1
1081 1 92 TYR H 1 92 TYR HB2 . . 3.520 2.596 2.512 2.694 . 0 0 "[ . 1 . ]" 1
1082 1 92 TYR H 1 92 TYR HB3 . . 3.520 2.475 2.388 2.555 . 0 0 "[ . 1 . ]" 1
1083 1 92 TYR H 1 92 TYR QD . . 4.440 4.250 4.217 4.281 . 0 0 "[ . 1 . ]" 1
1084 1 92 TYR H 1 93 LYS H . . 3.680 2.556 2.488 2.660 . 0 0 "[ . 1 . ]" 1
1085 1 92 TYR H 1 93 LYS QB . . 4.840 4.308 4.144 4.496 . 0 0 "[ . 1 . ]" 1
1086 1 92 TYR H 1 94 PHE H . . 4.630 3.874 3.751 3.958 . 0 0 "[ . 1 . ]" 1
1087 1 92 TYR H 1 95 ILE MD . . 5.410 5.059 4.586 5.448 0.038 8 0 "[ . 1 . ]" 1
1088 1 92 TYR HA 1 92 TYR QD . . 3.760 2.369 2.253 2.602 . 0 0 "[ . 1 . ]" 1
1089 1 92 TYR HA 1 94 PHE H . . 4.830 4.246 4.100 4.375 . 0 0 "[ . 1 . ]" 1
1090 1 92 TYR HA 1 95 ILE H . . 4.420 3.782 3.514 3.988 . 0 0 "[ . 1 . ]" 1
1091 1 92 TYR HA 1 95 ILE MD . . 3.950 2.888 2.420 3.349 . 0 0 "[ . 1 . ]" 1
1092 1 92 TYR HA 1 95 ILE HG12 . . 4.430 2.971 2.908 3.024 . 0 0 "[ . 1 . ]" 1
1093 1 92 TYR HA 1 95 ILE QG . . 3.670 2.933 2.868 2.986 . 0 0 "[ . 1 . ]" 1
1094 1 92 TYR HA 1 95 ILE HG13 . . 4.430 4.517 4.334 4.621 0.191 3 0 "[ . 1 . ]" 1
1095 1 92 TYR HA 1 95 ILE MG . . 4.240 3.676 3.067 4.267 0.027 12 0 "[ . 1 . ]" 1
1096 1 92 TYR HA 1 96 THR MG . . 4.450 4.702 4.143 4.978 0.528 3 2 "[ + . - . ]" 1
1097 1 92 TYR QB 1 93 LYS H . . 3.550 2.725 2.650 3.002 . 0 0 "[ . 1 . ]" 1
1098 1 92 TYR HB2 1 93 LYS H . . 4.090 3.986 3.932 4.152 0.062 12 0 "[ . 1 . ]" 1
1099 1 92 TYR HB3 1 93 LYS H . . 4.090 2.775 2.691 3.080 . 0 0 "[ . 1 . ]" 1
1100 1 92 TYR QD 1 93 LYS H . . 4.490 4.155 3.762 4.473 . 0 0 "[ . 1 . ]" 1
1101 1 92 TYR QD 1 95 ILE MD . . 3.610 2.716 2.225 3.305 . 0 0 "[ . 1 . ]" 1
1102 1 92 TYR QD 1 95 ILE QG . . 4.150 3.497 3.156 3.847 . 0 0 "[ . 1 . ]" 1
1103 1 92 TYR QD 1 96 THR MG . . 4.440 4.190 3.617 4.610 0.170 9 0 "[ . 1 . ]" 1
1104 1 92 TYR QE 1 96 THR MG . . 3.890 3.925 3.362 4.435 0.545 9 1 "[ . +1 . ]" 1
1105 1 93 LYS H 1 93 LYS QB . . 3.060 2.240 2.183 2.330 . 0 0 "[ . 1 . ]" 1
1106 1 93 LYS H 1 93 LYS HG2 . . 4.680 4.238 3.250 4.566 . 0 0 "[ . 1 . ]" 1
1107 1 93 LYS H 1 93 LYS QG . . 4.070 3.804 3.159 4.082 0.012 10 0 "[ . 1 . ]" 1
1108 1 93 LYS H 1 93 LYS HG3 . . 4.680 4.403 3.278 4.631 . 0 0 "[ . 1 . ]" 1
1109 1 93 LYS H 1 94 PHE H . . 3.510 2.472 2.236 2.596 . 0 0 "[ . 1 . ]" 1
1110 1 93 LYS HA 1 96 THR H . . 4.590 3.734 3.489 3.885 . 0 0 "[ . 1 . ]" 1
1111 1 93 LYS QB 1 94 PHE H . . 3.390 2.802 2.576 3.046 . 0 0 "[ . 1 . ]" 1
1112 1 94 PHE H 1 94 PHE QB . . 3.060 2.238 2.185 2.282 . 0 0 "[ . 1 . ]" 1
1113 1 94 PHE H 1 94 PHE QD . . 4.430 4.225 4.176 4.265 . 0 0 "[ . 1 . ]" 1
1114 1 94 PHE H 1 95 ILE H . . 4.030 2.752 2.633 2.924 . 0 0 "[ . 1 . ]" 1
1115 1 94 PHE H 1 95 ILE MD . . 5.500 5.419 5.119 5.621 0.121 8 0 "[ . 1 . ]" 1
1116 1 94 PHE H 1 95 ILE MG . . 4.980 4.164 4.060 4.325 . 0 0 "[ . 1 . ]" 1
1117 1 94 PHE H 1 96 THR H . . 4.970 3.965 3.802 4.178 . 0 0 "[ . 1 . ]" 1
1118 1 94 PHE HA 1 94 PHE QD . . 4.160 2.756 2.667 2.978 . 0 0 "[ . 1 . ]" 1
1119 1 94 PHE QB 1 95 ILE H . . 3.910 2.554 2.426 2.858 . 0 0 "[ . 1 . ]" 1
1120 1 94 PHE QB 1 95 ILE MG . . 4.340 3.031 2.905 3.353 . 0 0 "[ . 1 . ]" 1
1121 1 94 PHE QD 1 95 ILE H . . 4.710 3.455 3.325 3.665 . 0 0 "[ . 1 . ]" 1
1122 1 94 PHE QD 1 95 ILE MG . . 3.830 2.492 2.306 2.809 . 0 0 "[ . 1 . ]" 1
1123 1 94 PHE QE 1 95 ILE MG . . 4.360 3.747 3.355 4.251 . 0 0 "[ . 1 . ]" 1
1124 1 95 ILE H 1 95 ILE MD . . 4.050 3.670 3.428 3.829 . 0 0 "[ . 1 . ]" 1
1125 1 95 ILE H 1 95 ILE HG12 . . 3.960 2.589 2.511 2.705 . 0 0 "[ . 1 . ]" 1
1126 1 95 ILE H 1 95 ILE QG . . 3.430 2.553 2.477 2.663 . 0 0 "[ . 1 . ]" 1
1127 1 95 ILE H 1 95 ILE HG13 . . 3.960 3.886 3.786 3.996 0.036 10 0 "[ . 1 . ]" 1
1128 1 95 ILE H 1 95 ILE MG . . 3.590 2.138 2.092 2.204 . 0 0 "[ . 1 . ]" 1
1129 1 95 ILE H 1 96 THR H . . 3.940 2.709 2.616 2.809 . 0 0 "[ . 1 . ]" 1
1130 1 95 ILE H 1 100 ALA MB . . 5.500 5.091 4.416 5.657 0.157 3 0 "[ . 1 . ]" 1
1131 1 95 ILE HA 1 95 ILE MG . . 3.580 2.478 2.441 2.517 . 0 0 "[ . 1 . ]" 1
1132 1 95 ILE HA 1 96 THR MG . . 4.880 4.928 4.835 4.996 0.116 8 0 "[ . 1 . ]" 1
1133 1 95 ILE HA 1 97 SER H . . 4.680 3.818 3.370 4.113 . 0 0 "[ . 1 . ]" 1
1134 1 95 ILE HA 1 100 ALA MB . . 3.520 2.830 2.218 3.560 0.040 9 0 "[ . 1 . ]" 1
1135 1 95 ILE HB 1 95 ILE MD . . 3.560 2.648 2.585 2.766 . 0 0 "[ . 1 . ]" 1
1136 1 95 ILE HB 1 100 ALA MB . . 4.690 3.787 3.273 4.822 0.132 9 0 "[ . 1 . ]" 1
1137 1 95 ILE MD 1 95 ILE MG . . 3.230 1.973 1.940 1.996 . 0 0 "[ . 1 . ]" 1
1138 1 95 ILE MD 1 96 THR MG . . 3.790 3.778 3.686 3.873 0.083 5 0 "[ . 1 . ]" 1
1139 1 95 ILE QG 1 96 THR H . . 3.990 3.157 3.118 3.187 . 0 0 "[ . 1 . ]" 1
1140 1 95 ILE QG 1 96 THR MG . . 3.500 2.660 2.608 2.751 . 0 0 "[ . 1 . ]" 1
1141 1 95 ILE HG12 1 96 THR H . . 4.600 3.325 3.268 3.378 . 0 0 "[ . 1 . ]" 1
1142 1 95 ILE HG12 1 96 THR MG . . 4.180 3.064 2.967 3.217 . 0 0 "[ . 1 . ]" 1
1143 1 95 ILE HG13 1 96 THR H . . 4.600 3.943 3.812 4.178 . 0 0 "[ . 1 . ]" 1
1144 1 95 ILE HG13 1 96 THR MG . . 4.180 2.927 2.820 3.112 . 0 0 "[ . 1 . ]" 1
1145 1 95 ILE MG 1 96 THR H . . 4.630 4.198 4.127 4.249 . 0 0 "[ . 1 . ]" 1
1146 1 95 ILE MG 1 96 THR MG . . 4.430 4.842 4.776 4.914 0.484 1 0 "[ . 1 . ]" 1
1147 1 96 THR H 1 96 THR MG . . 3.940 3.081 2.824 3.188 . 0 0 "[ . 1 . ]" 1
1148 1 96 THR H 1 97 SER H . . 3.230 2.164 2.023 2.369 . 0 0 "[ . 1 . ]" 1
1149 1 96 THR HA 1 96 THR MG . . 3.330 2.332 2.281 2.372 . 0 0 "[ . 1 . ]" 1
1150 1 96 THR HA 1 97 SER H . . 3.570 3.295 3.051 3.455 . 0 0 "[ . 1 . ]" 1
1151 1 96 THR HA 1 100 ALA MB . . 4.650 3.858 3.135 4.644 . 0 0 "[ . 1 . ]" 1
1152 1 96 THR MG 1 97 SER H . . 4.780 4.423 4.320 4.487 . 0 0 "[ . 1 . ]" 1
1153 1 97 SER H 1 100 ALA MB . . 4.120 3.758 2.680 4.816 0.696 12 2 "[ . - 1 + . ]" 1
1154 1 100 ALA HA 1 105 LEU QD . . 3.890 3.485 3.109 4.475 0.585 4 1 "[ +. 1 . ]" 1
1155 1 100 ALA MB 1 105 LEU HA . . 5.370 4.654 3.944 6.121 0.751 15 1 "[ . 1 + ]" 1
1156 1 100 ALA MB 1 105 LEU QD . . 4.040 3.349 2.971 3.901 . 0 0 "[ . 1 . ]" 1
1157 1 100 ALA MB 1 105 LEU HG . . 4.280 4.460 3.111 5.089 0.809 1 7 "[+ .-* ** * * ]" 1
1158 1 105 LEU HA 1 105 LEU QD . . 3.400 2.863 2.268 3.453 0.053 1 0 "[ . 1 . ]" 1
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