NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637331 |
6d5z   |
19461 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6d5z
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 1332
_Distance_constraint_stats_list.Viol_count 5341
_Distance_constraint_stats_list.Viol_total 20482.816
_Distance_constraint_stats_list.Viol_max 1.147
_Distance_constraint_stats_list.Viol_rms 0.0843
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0246
_Distance_constraint_stats_list.Viol_average_violations_only 0.1534
_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 8 LYS 3.628 0.421 21 0 "[ . 1 . 2 .]"
1 9 ALA 2.274 0.340 11 0 "[ . 1 . 2 .]"
1 12 GLU 3.258 0.292 9 0 "[ . 1 . 2 .]"
1 13 GLN 2.081 0.292 9 0 "[ . 1 . 2 .]"
1 14 MET 0.982 0.128 10 0 "[ . 1 . 2 .]"
1 15 ASN 3.832 0.305 16 0 "[ . 1 . 2 .]"
1 16 SER 9.647 0.305 16 0 "[ . 1 . 2 .]"
1 17 ILE 16.800 0.960 20 2 "[ . 1 . + -]"
1 18 ASN 5.845 0.230 8 0 "[ . 1 . 2 .]"
1 19 SER 2.353 0.396 15 0 "[ . 1 . 2 .]"
1 20 VAL 31.360 0.877 16 7 "[ - *. 1* *+ *2 * .]"
1 21 ASN 12.879 0.422 4 0 "[ . 1 . 2 .]"
1 22 ASP 15.335 1.147 4 9 "[* +* *** **- 2 .]"
1 23 LYS 34.950 0.845 25 12 "[** . ***1 . ***2-* *+]"
1 24 LEU 25.833 0.606 19 3 "[ *. 1 . +2 - .]"
1 25 ASN 17.824 0.779 5 3 "[ + 1 - * 2 .]"
1 26 LYS 9.969 0.348 18 0 "[ . 1 . 2 .]"
1 27 GLY 8.989 0.261 6 0 "[ . 1 . 2 .]"
1 28 LYS 13.122 0.794 17 4 "[* - . 1 . + 2 *]"
1 29 GLY 1.462 0.186 10 0 "[ . 1 . 2 .]"
1 30 LYS 27.730 0.868 17 25 [****************+*****-**]
1 31 LEU 34.484 0.794 21 4 "[ . 1 .* -+ *]"
1 32 SER 8.793 0.547 15 2 "[ . 1 - + 2 .]"
1 33 LEU 19.253 0.960 20 2 "[ . 1 . + -]"
1 34 SER 0.873 0.082 23 0 "[ . 1 . 2 .]"
1 35 MET 7.937 0.264 16 0 "[ . 1 . 2 .]"
1 36 ASN 4.665 0.656 11 3 "[ . *1+ - . 2 .]"
1 37 GLY 5.483 0.237 15 0 "[ . 1 . 2 .]"
1 38 ASN 5.038 0.552 25 1 "[ . 1 . 2 +]"
1 39 GLN 7.979 0.656 11 3 "[ . *1+ - . 2 .]"
1 40 LEU 25.210 0.839 12 9 "[ * . ****+ . * 2- *]"
1 41 LYS 9.574 0.746 5 1 "[ + 1 . 2 .]"
1 42 ALA 16.705 0.355 24 0 "[ . 1 . 2 .]"
1 43 THR 3.048 0.232 20 0 "[ . 1 . 2 .]"
1 44 SER 27.802 0.803 16 11 "[** .* 1** **+ -* *]"
1 45 SER 29.209 0.868 17 25 [****************+*****-**]
1 46 ASN 0.720 0.216 23 0 "[ . 1 . 2 .]"
1 47 ALA 3.012 0.130 3 0 "[ . 1 . 2 .]"
1 48 GLY 21.145 0.920 6 9 "[* * .+* 1** *. - *]"
1 49 TYR 13.656 0.791 7 7 "[* * .*+ 1* . - *]"
1 50 GLY 11.024 0.351 23 0 "[ . 1 . 2 .]"
1 51 ILE 21.249 0.448 3 0 "[ . 1 . 2 .]"
1 52 SER 6.113 0.418 25 0 "[ . 1 . 2 .]"
1 53 TYR 14.642 0.615 18 21 "[*********1*-* ** +*2*****]"
1 54 GLU 4.650 0.625 19 2 "[ . 1 . +2 -.]"
1 55 ASP 14.990 0.625 19 4 "[ . * 1 - . +2 *.]"
1 56 LYS 19.894 0.461 18 0 "[ . 1 . 2 .]"
1 57 ASN 10.914 0.367 7 0 "[ . 1 . 2 .]"
1 58 TRP 58.625 0.877 16 7 "[ - *. 1* *+ *2 * .]"
1 59 GLY 11.910 0.764 25 1 "[ . 1 . 2 +]"
1 60 ILE 36.463 0.523 16 2 "[ . 1 - .+ 2 .]"
1 61 PHE 39.333 0.887 7 13 "[****. +* 1* ***** - .]"
1 62 VAL 11.648 0.839 12 5 "[ . * 1*+ . * 2- .]"
1 63 ASN 1.513 0.433 17 0 "[ . 1 . 2 .]"
1 64 GLY 16.806 0.947 18 12 "[ ***.-* ** *** +*2 .]"
1 65 GLU 17.424 0.947 18 14 "[ ***.** **- ****+*2 .]"
1 66 LYS 13.435 1.147 4 8 "[* *+. ** *.- 2 *]"
1 67 VAL 2.157 0.187 15 0 "[ . 1 . 2 .]"
1 68 TYR 18.086 0.230 25 0 "[ . 1 . 2 .]"
1 69 THR 12.670 0.341 1 0 "[ . 1 . 2 .]"
1 70 PHE 27.008 0.652 9 2 "[ . +1- . 2 .]"
1 71 ASN 2.979 0.316 10 0 "[ . 1 . 2 .]"
1 72 GLU 15.947 0.461 18 0 "[ . 1 . 2 .]"
1 73 LYS 19.168 0.625 19 3 "[ . * 1 - . +2 .]"
1 74 SER 18.758 0.920 6 10 "[* * .+* *1*- *. * *]"
1 75 THR 28.087 0.920 6 9 "[* * .+* 1*- *. * *]"
1 76 VAL 49.057 0.803 16 11 "[*- .* 1** **+ ** *]"
1 77 GLY 21.769 0.491 13 0 "[ . 1 . 2 .]"
1 78 ASN 18.617 0.652 9 2 "[ . +1- . 2 .]"
1 79 ILE 37.052 0.447 10 0 "[ . 1 . 2 .]"
1 80 SER 13.168 0.276 9 0 "[ . 1 . 2 .]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 82 ASP 33.515 0.817 19 19 "[ ** *** 1****-** +******]"
1 83 ILE 42.790 0.612 11 7 "[ . - 1+* **** 2 .]"
1 84 ASN 13.954 0.564 17 4 "[ . - 1 ** + 2 .]"
1 85 LYS 32.477 0.817 19 19 "[ ** **- 1******* +******]"
1 86 LEU 30.126 0.415 8 0 "[ . 1 . 2 .]"
1 87 ASN 6.938 0.798 8 3 "[ * . +-1 . 2 .]"
1 88 ILE 16.995 0.839 12 5 "[ . * 1*+ . * 2- .]"
1 89 LYS 15.042 0.838 17 12 "[* **. ***-*.*+ *2 *]"
1 90 GLY 8.658 0.385 7 0 "[ . 1 . 2 .]"
1 91 PRO 14.401 0.374 13 0 "[ . 1 . 2 .]"
1 92 TYR 8.692 0.433 17 0 "[ . 1 . 2 .]"
1 93 ILE 15.840 0.839 12 5 "[ . * 1*+ . * 2- .]"
1 94 GLU 11.152 0.887 7 10 "[****. +* 1 * * * - .]"
1 95 ILE 21.723 0.363 8 0 "[ . 1 . 2 .]"
1 96 LYS 41.519 0.877 16 6 "[ *. 1* *+ -2 * .]"
1 97 GLN 22.478 0.768 6 3 "[ .+ 1 . *2 -]"
1 98 ILE 33.847 1.147 4 9 "[* +. ** **- *2 * .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 56 LYS HB3 1 58 TRP HD1 4.144 2.646 5.558 2.868 2.488 4.835 0.158 23 0 "[ . 1 . 2 .]" 1
2 1 58 TRP HB2 1 70 PHE QE 4.035 2.581 7.839 3.278 3.069 3.401 . 0 0 "[ . 1 . 2 .]" 1
3 1 58 TRP HZ2 1 70 PHE HZ 4.247 4.160 4.672 4.845 4.747 4.955 0.283 6 0 "[ . 1 . 2 .]" 1
4 1 58 TRP HD1 1 71 ASN HA 4.331 2.759 4.764 4.293 3.891 4.735 . 0 0 "[ . 1 . 2 .]" 1
5 1 58 TRP HZ2 1 70 PHE QE 4.029 3.383 6.429 5.086 4.955 5.296 . 0 0 "[ . 1 . 2 .]" 1
6 1 58 TRP HZ3 1 70 PHE QE 3.725 3.140 6.125 3.297 3.090 3.485 0.050 7 0 "[ . 1 . 2 .]" 1
7 1 24 LEU MD1 1 58 TRP HZ3 3.657 3.086 6.423 4.327 3.475 5.008 . 0 0 "[ . 1 . 2 .]" 1
8 1 24 LEU MD1 1 58 TRP HE3 3.103 2.642 5.290 5.288 4.672 5.896 0.606 19 3 "[ *. 1 . +2 - .]" 1
9 1 24 LEU MD1 1 70 PHE QE 3.018 2.574 7.630 3.955 3.322 4.397 . 0 0 "[ . 1 . 2 .]" 1
10 1 24 LEU MD1 1 70 PHE QD 3.602 3.042 8.762 5.586 5.143 6.055 . 0 0 "[ . 1 . 2 .]" 1
11 1 31 LEU QD 1 68 TYR QE 3.349 2.839 8.484 4.916 4.386 5.865 . 0 0 "[ . 1 . 2 .]" 1
12 1 31 LEU QD 1 70 PHE QE 2.993 2.554 8.092 2.770 2.558 3.276 . 0 0 "[ . 1 . 2 .]" 1
13 1 49 TYR HB3 1 49 TYR QD 2.992 2.554 6.439 2.401 2.341 2.544 0.213 8 0 "[ . 1 . 2 .]" 1
14 1 49 TYR HB2 1 49 TYR QD 2.947 2.518 6.548 2.745 2.569 2.787 . 0 0 "[ . 1 . 2 .]" 1
15 1 53 TYR QB 1 53 TYR QD 3.319 2.815 6.323 2.254 2.200 2.327 0.615 18 21 "[*********1*-* ** +*2*****]" 1
16 1 20 VAL QG 1 58 TRP HH2 2.950 2.520 6.245 2.205 1.987 2.457 0.533 2 1 "[ + . 1 . 2 .]" 1
17 1 58 TRP HB2 1 58 TRP HE3 3.261 2.769 4.587 3.819 3.717 3.893 . 0 0 "[ . 1 . 2 .]" 1
18 1 58 TRP HZ2 1 95 ILE MG 2.509 2.167 5.021 4.550 3.999 5.058 0.037 23 0 "[ . 1 . 2 .]" 1
19 1 58 TRP HZ2 1 96 LYS HA . 2.634 2.844 3.006 2.949 3.067 0.223 11 0 "[ . 1 . 2 .]" 1
20 1 58 TRP HE3 1 97 GLN HB3 3.468 2.934 5.815 5.660 5.364 5.824 0.009 4 0 "[ . 1 . 2 .]" 1
21 1 58 TRP HZ3 1 60 ILE HG13 3.361 2.849 4.243 4.171 3.774 4.454 0.211 6 0 "[ . 1 . 2 .]" 1
22 1 60 ILE HG12 1 68 TYR QD 2.941 2.513 6.635 4.813 4.616 5.210 . 0 0 "[ . 1 . 2 .]" 1
23 1 59 GLY HA2 1 61 PHE QE 2.847 2.438 5.532 4.309 3.109 4.445 . 0 0 "[ . 1 . 2 .]" 1
24 1 59 GLY HA3 1 61 PHE QE 3.560 3.008 6.316 2.874 2.682 2.933 0.326 15 0 "[ . 1 . 2 .]" 1
25 1 60 ILE HA 1 61 PHE QE 3.101 2.641 5.811 4.091 3.863 4.800 . 0 0 "[ . 1 . 2 .]" 1
26 1 60 ILE HA 1 61 PHE QD 3.086 2.629 5.795 3.193 2.964 3.810 . 0 0 "[ . 1 . 2 .]" 1
27 1 61 PHE QB 1 61 PHE QD 2.636 2.269 6.174 2.138 2.121 2.296 0.148 4 0 "[ . 1 . 2 .]" 1
28 1 61 PHE HA 1 61 PHE QD 3.315 2.812 5.512 3.169 2.372 3.264 0.440 15 0 "[ . 1 . 2 .]" 1
29 1 61 PHE QD 1 66 LYS HB2 2.909 2.487 6.600 3.475 2.429 5.219 0.058 24 0 "[ . 1 . 2 .]" 1
30 1 61 PHE QE 1 66 LYS HD2 3.276 2.781 7.004 4.486 3.283 5.014 . 0 0 "[ . 1 . 2 .]" 1
31 1 61 PHE HZ 1 66 LYS HD2 3.270 2.776 4.597 4.579 3.993 5.471 0.874 3 4 "[ + . 1* -.* 2 .]" 1
32 1 61 PHE QD 1 95 ILE HA 3.727 3.142 5.741 4.090 3.504 5.799 0.058 15 0 "[ . 1 . 2 .]" 1
33 1 61 PHE QE 1 96 LYS HD2 2.669 2.295 6.336 2.966 2.150 4.710 0.145 5 0 "[ . 1 . 2 .]" 1
34 1 61 PHE QE 1 96 LYS QG 2.993 2.554 6.692 3.962 3.107 4.907 . 0 0 "[ . 1 . 2 .]" 1
35 1 61 PHE QE 1 98 ILE MG 2.526 2.181 6.679 2.640 2.360 3.348 . 0 0 "[ . 1 . 2 .]" 1
36 1 58 TRP HB2 1 68 TYR QE 2.977 2.542 6.675 6.798 6.717 6.882 0.207 6 0 "[ . 1 . 2 .]" 1
37 1 60 ILE HB 1 68 TYR QD 2.950 2.520 5.645 4.386 4.130 4.754 . 0 0 "[ . 1 . 2 .]" 1
38 1 60 ILE MD 1 68 TYR QE 3.271 2.777 7.498 3.896 3.743 4.307 . 0 0 "[ . 1 . 2 .]" 1
39 1 60 ILE MD 1 68 TYR QD 2.549 2.199 6.470 2.160 2.082 2.378 0.117 10 0 "[ . 1 . 2 .]" 1
40 1 60 ILE MG 1 68 TYR QE 3.442 2.914 7.686 6.449 6.165 6.886 . 0 0 "[ . 1 . 2 .]" 1
41 1 68 TYR HB2 1 68 TYR QD 2.500 2.160 6.019 2.725 2.665 2.754 . 0 0 "[ . 1 . 2 .]" 1
42 1 68 TYR HB3 1 68 TYR QD 2.786 2.389 6.169 2.325 2.299 2.346 0.090 25 0 "[ . 1 . 2 .]" 1
43 1 68 TYR QE 1 69 THR HB 3.532 2.986 6.285 5.359 5.090 5.750 . 0 0 "[ . 1 . 2 .]" 1
44 1 24 LEU MD1 1 70 PHE HZ 3.191 2.713 5.416 3.256 2.710 3.848 0.003 15 0 "[ . 1 . 2 .]" 1
45 1 31 LEU QD 1 70 PHE HZ 2.972 2.538 5.669 2.858 2.553 3.686 . 0 0 "[ . 1 . 2 .]" 1
46 1 60 ILE HG12 1 70 PHE QE 3.291 2.793 7.016 3.563 3.395 3.759 . 0 0 "[ . 1 . 2 .]" 1
47 1 60 ILE HG13 1 70 PHE QE 3.433 2.906 6.852 3.287 2.965 3.642 . 0 0 "[ . 1 . 2 .]" 1
48 1 68 TYR QE 1 70 PHE HB2 2.778 2.382 4.302 3.823 3.685 3.959 . 0 0 "[ . 1 . 2 .]" 1
49 1 68 TYR QE 1 70 PHE HB3 3.127 2.662 5.091 2.520 2.447 2.599 0.215 6 0 "[ . 1 . 2 .]" 1
50 1 68 TYR QE 1 70 PHE QD 2.522 2.178 7.574 2.393 2.149 2.938 0.029 19 0 "[ . 1 . 2 .]" 1
51 1 70 PHE HB2 1 70 PHE QD 2.713 2.330 6.340 2.513 2.473 2.549 . 0 0 "[ . 1 . 2 .]" 1
52 1 70 PHE HB3 1 70 PHE QD 2.707 2.326 6.325 2.303 2.288 2.322 0.038 18 0 "[ . 1 . 2 .]" 1
53 1 70 PHE HA 1 70 PHE QD 2.818 2.414 5.364 3.737 3.722 3.749 . 0 0 "[ . 1 . 2 .]" 1
54 1 70 PHE HZ 1 76 VAL MG1 3.296 2.797 4.626 4.582 4.132 4.709 0.083 15 0 "[ . 1 . 2 .]" 1
55 1 70 PHE QE 1 79 ILE MG 3.474 2.939 7.721 3.669 3.373 4.382 . 0 0 "[ . 1 . 2 .]" 1
56 1 70 PHE QE 1 79 ILE MD 3.302 2.802 7.532 4.583 3.428 6.281 . 0 0 "[ . 1 . 2 .]" 1
57 1 70 PHE QD 1 79 ILE MD 2.666 2.293 6.376 3.207 2.222 4.623 0.071 11 0 "[ . 1 . 2 .]" 1
58 1 70 PHE QD 1 79 ILE MG 3.026 2.581 6.723 2.809 2.594 3.191 . 0 0 "[ . 1 . 2 .]" 1
59 1 70 PHE QE 1 76 VAL MG1 3.178 2.702 6.896 3.522 3.123 3.739 . 0 0 "[ . 1 . 2 .]" 1
60 1 70 PHE QD 1 76 VAL MG1 2.875 2.460 6.563 3.861 3.580 4.301 . 0 0 "[ . 1 . 2 .]" 1
61 1 68 TYR QE 1 79 ILE MG 2.548 2.198 6.703 2.265 2.067 2.608 0.131 4 0 "[ . 1 . 2 .]" 1
62 1 68 TYR QE 1 83 ILE HG13 3.141 2.673 6.855 3.855 3.007 5.029 . 0 0 "[ . 1 . 2 .]" 1
63 1 68 TYR QE 1 83 ILE MD 3.013 2.570 6.625 3.123 2.340 3.752 0.230 25 0 "[ . 1 . 2 .]" 1
64 1 68 TYR QD 1 83 ILE HG12 3.250 2.760 6.975 3.996 2.963 5.417 . 0 0 "[ . 1 . 2 .]" 1
65 1 68 TYR QD 1 83 ILE MD 3.266 2.773 6.836 3.804 2.722 4.631 0.051 5 0 "[ . 1 . 2 .]" 1
66 1 31 LEU QD 1 70 PHE QD 3.256 2.765 7.482 3.214 2.729 3.762 0.036 9 0 "[ . 1 . 2 .]" 1
67 1 61 PHE HZ 1 96 LYS HD2 3.413 2.890 4.754 4.814 4.269 5.023 0.269 3 0 "[ . 1 . 2 .]" 1
68 1 62 VAL HB 1 92 TYR QD 2.596 . 7.256 7.218 5.620 7.449 0.193 9 0 "[ . 1 . 2 .]" 1
69 1 90 GLY HA2 1 92 TYR QD 2.867 2.167 7.554 5.383 5.036 5.783 . 0 0 "[ . 1 . 2 .]" 1
70 1 90 GLY HA2 1 92 TYR QE 2.950 2.225 7.645 7.110 6.783 7.670 0.025 13 0 "[ . 1 . 2 .]" 1
71 1 91 PRO HB2 1 92 TYR QE 2.826 2.138 6.509 3.479 2.960 4.453 . 0 0 "[ . 1 . 2 .]" 1
72 1 91 PRO HB3 1 92 TYR QE 2.854 2.158 6.539 4.482 4.135 5.073 . 0 0 "[ . 1 . 2 .]" 1
73 1 91 PRO HB2 1 92 TYR QD 2.455 . 6.101 1.947 1.808 2.612 0.172 1 0 "[ . 1 . 2 .]" 1
74 1 63 ASN HB2 1 92 TYR QD 2.303 . 5.933 5.745 5.344 6.366 0.433 17 0 "[ . 1 . 2 .]" 1
75 1 92 TYR HB2 1 92 TYR QD . 2.245 5.613 2.614 2.466 2.751 . 0 0 "[ . 1 . 2 .]" 1
76 1 91 PRO HB3 1 92 TYR QD 2.680 2.036 5.348 3.555 3.450 3.795 . 0 0 "[ . 1 . 2 .]" 1
77 1 8 LYS H 1 8 LYS HA 2.483 . 4.231 2.937 2.910 2.949 . 0 0 "[ . 1 . 2 .]" 1
78 1 8 LYS H 1 8 LYS HB2 2.158 . 3.374 2.911 2.434 3.795 0.421 21 0 "[ . 1 . 2 .]" 1
79 1 8 LYS H 1 8 LYS HB3 2.640 . 3.904 2.990 2.460 3.741 . 0 0 "[ . 1 . 2 .]" 1
80 1 8 LYS H 1 9 ALA HA 2.509 . 4.260 4.326 4.059 4.600 0.340 11 0 "[ . 1 . 2 .]" 1
81 1 8 LYS H 1 9 ALA MB 4.542 3.259 6.496 4.093 3.434 4.585 . 0 0 "[ . 1 . 2 .]" 1
82 1 12 GLU H 1 12 GLU HG2 1.993 . 3.192 2.598 1.766 3.468 0.276 18 0 "[ . 1 . 2 .]" 1
83 1 12 GLU H 1 13 GLN QE 3.196 2.317 3.516 3.550 2.936 3.808 0.292 9 0 "[ . 1 . 2 .]" 1
84 1 12 GLU H 1 16 SER QB 2.095 . 4.304 3.874 3.520 4.284 . 0 0 "[ . 1 . 2 .]" 1
85 1 14 MET HA 1 15 ASN H 2.396 . 4.136 3.552 3.518 3.583 . 0 0 "[ . 1 . 2 .]" 1
86 1 15 ASN H 1 15 ASN QB 2.802 2.042 4.082 2.741 2.341 3.105 . 0 0 "[ . 1 . 2 .]" 1
87 1 14 MET H 1 16 SER QB 2.219 . 3.441 3.444 3.176 3.569 0.128 10 0 "[ . 1 . 2 .]" 1
88 1 15 ASN QB 1 16 SER H 2.681 . 3.949 2.793 2.149 3.347 . 0 0 "[ . 1 . 2 .]" 1
89 1 15 ASN HA 1 16 SER H 2.707 . 4.478 3.436 3.300 3.491 . 0 0 "[ . 1 . 2 .]" 1
90 1 15 ASN H 1 16 SER QB 2.663 . 3.929 3.644 3.534 3.890 . 0 0 "[ . 1 . 2 .]" 1
91 1 16 SER H 1 16 SER QB 2.350 . 3.585 2.246 2.189 2.655 . 0 0 "[ . 1 . 2 .]" 1
92 1 16 SER H 1 16 SER HA 2.558 . 4.314 2.561 2.479 2.668 . 0 0 "[ . 1 . 2 .]" 1
93 1 16 SER QB 1 17 ILE H 2.555 . 3.811 1.982 1.875 2.410 . 0 0 "[ . 1 . 2 .]" 1
94 1 17 ILE H 1 17 ILE MG 2.815 2.050 4.597 3.597 2.015 3.748 0.035 24 0 "[ . 1 . 2 .]" 1
95 1 17 ILE H 1 17 ILE QG 2.830 2.061 3.960 2.184 1.921 3.845 0.140 1 0 "[ . 1 . 2 .]" 1
96 1 17 ILE H 1 17 ILE HB 2.408 . 2.649 2.408 2.364 2.605 . 0 0 "[ . 1 . 2 .]" 1
97 1 17 ILE H 1 17 ILE HA 2.823 2.056 4.605 2.869 2.789 2.906 . 0 0 "[ . 1 . 2 .]" 1
98 1 17 ILE QG 1 18 ASN H 2.627 . 3.890 4.016 3.789 4.102 0.212 9 0 "[ . 1 . 2 .]" 1
99 1 18 ASN HB3 1 18 ASN HD22 3.548 2.564 4.903 3.796 3.429 3.951 . 0 0 "[ . 1 . 2 .]" 1
100 1 18 ASN H 1 18 ASN HB2 2.056 . 3.262 2.517 2.447 2.662 . 0 0 "[ . 1 . 2 .]" 1
101 1 18 ASN HB2 1 19 SER H 3.288 2.381 4.617 2.445 2.278 2.948 0.103 16 0 "[ . 1 . 2 .]" 1
102 1 18 ASN HA 1 19 SER H 2.969 2.158 4.766 3.573 3.521 3.602 . 0 0 "[ . 1 . 2 .]" 1
103 1 19 SER H 1 19 SER HB2 2.828 2.060 4.111 3.418 2.539 3.683 . 0 0 "[ . 1 . 2 .]" 1
104 1 19 SER H 1 19 SER HA 2.813 2.049 4.594 2.823 2.790 2.865 . 0 0 "[ . 1 . 2 .]" 1
105 1 18 ASN H 1 20 VAL HB 2.634 . 4.897 4.608 4.028 5.127 0.230 8 0 "[ . 1 . 2 .]" 1
106 1 19 SER HA 1 20 VAL H 2.635 . 4.399 3.429 3.388 3.506 . 0 0 "[ . 1 . 2 .]" 1
107 1 19 SER HB2 1 20 VAL H 3.067 2.227 4.374 3.927 2.994 4.240 . 0 0 "[ . 1 . 2 .]" 1
108 1 20 VAL H 1 20 VAL QG 2.905 2.114 3.765 2.321 2.025 2.674 0.089 16 0 "[ . 1 . 2 .]" 1
109 1 20 VAL H 1 20 VAL HB 2.307 . 2.538 2.454 2.202 2.598 0.060 18 0 "[ . 1 . 2 .]" 1
110 1 20 VAL H 1 20 VAL HA 2.431 . 4.174 2.807 2.754 2.828 . 0 0 "[ . 1 . 2 .]" 1
111 1 18 ASN HB3 1 21 ASN H 2.954 2.148 5.249 5.287 4.792 5.429 0.180 16 0 "[ . 1 . 2 .]" 1
112 1 20 VAL HB 1 21 ASN H 3.502 2.531 3.852 3.866 3.641 3.963 0.111 3 0 "[ . 1 . 2 .]" 1
113 1 20 VAL H 1 21 ASN H 2.613 . 4.374 2.563 2.407 2.708 . 0 0 "[ . 1 . 2 .]" 1
114 1 21 ASN H 1 23 LYS QE 2.671 . 3.938 4.183 3.985 4.360 0.422 4 0 "[ . 1 . 2 .]" 1
115 1 21 ASN H 1 22 ASP HA 2.562 . 4.962 5.020 4.870 5.103 0.141 14 0 "[ . 1 . 2 .]" 1
116 1 22 ASP H 1 22 ASP HA 2.463 . 4.209 2.798 2.747 2.851 . 0 0 "[ . 1 . 2 .]" 1
117 1 22 ASP H 1 22 ASP QB 2.140 . 3.354 2.333 2.230 2.430 . 0 0 "[ . 1 . 2 .]" 1
118 1 22 ASP QB 1 23 LYS H 2.585 . 3.844 3.127 3.070 3.183 . 0 0 "[ . 1 . 2 .]" 1
119 1 22 ASP H 1 23 LYS QE 2.842 2.069 4.126 3.938 3.161 4.217 0.091 22 0 "[ . 1 . 2 .]" 1
120 1 23 LYS H 1 23 LYS QD 2.174 . 3.391 2.450 1.684 3.514 0.123 7 0 "[ . 1 . 2 .]" 1
121 1 23 LYS H 1 23 LYS QB 2.041 . 3.245 2.494 2.104 2.670 . 0 0 "[ . 1 . 2 .]" 1
122 1 23 LYS H 1 23 LYS HA 2.582 . 4.340 2.936 2.892 2.961 . 0 0 "[ . 1 . 2 .]" 1
123 1 21 ASN HA 1 24 LEU H 3.048 2.214 4.853 3.258 2.858 3.515 . 0 0 "[ . 1 . 2 .]" 1
124 1 23 LYS QB 1 24 LEU H 2.721 . 3.993 2.373 2.028 2.796 . 0 0 "[ . 1 . 2 .]" 1
125 1 23 LYS H 1 24 LEU HB2 2.436 . 3.680 4.033 3.980 4.110 0.430 17 0 "[ . 1 . 2 .]" 1
126 1 24 LEU H 1 24 LEU HA 2.504 . 4.254 2.798 2.719 2.905 . 0 0 "[ . 1 . 2 .]" 1
127 1 24 LEU H 1 24 LEU HB2 2.180 . 3.398 2.408 2.325 2.492 . 0 0 "[ . 1 . 2 .]" 1
128 1 24 LEU H 1 24 LEU HG 2.330 . 2.563 2.008 1.797 2.343 0.003 4 0 "[ . 1 . 2 .]" 1
129 1 24 LEU H 1 24 LEU MD1 3.265 2.365 6.892 3.450 3.342 3.628 . 0 0 "[ . 1 . 2 .]" 1
130 1 24 LEU HA 1 25 ASN H 2.740 . 4.514 3.479 3.404 3.516 . 0 0 "[ . 1 . 2 .]" 1
131 1 22 ASP HA 1 25 ASN H 3.127 2.269 4.940 3.593 3.484 3.706 . 0 0 "[ . 1 . 2 .]" 1
132 1 24 LEU H 1 25 ASN H 2.355 . 4.091 2.485 2.088 2.733 . 0 0 "[ . 1 . 2 .]" 1
133 1 24 LEU HB2 1 25 ASN H 2.706 . 3.977 2.482 2.376 2.909 . 0 0 "[ . 1 . 2 .]" 1
134 1 24 LEU H 1 25 ASN HB2 4.119 2.963 5.531 4.442 3.899 4.713 . 0 0 "[ . 1 . 2 .]" 1
135 1 25 ASN H 1 25 ASN HA 2.524 . 4.276 2.854 2.832 2.911 . 0 0 "[ . 1 . 2 .]" 1
136 1 25 ASN H 1 25 ASN HB3 2.343 . 3.577 3.455 2.769 3.583 0.006 22 0 "[ . 1 . 2 .]" 1
137 1 25 ASN H 1 25 ASN HB2 2.313 . 3.544 2.265 2.128 2.363 . 0 0 "[ . 1 . 2 .]" 1
138 1 25 ASN HA 1 26 LYS H 2.148 . 3.863 2.304 2.229 2.365 . 0 0 "[ . 1 . 2 .]" 1
139 1 24 LEU HA 1 26 LYS H 3.458 2.501 5.304 5.037 4.768 5.253 . 0 0 "[ . 1 . 2 .]" 1
140 1 25 ASN HB3 1 26 LYS H 4.827 3.459 6.310 4.029 3.911 4.330 . 0 0 "[ . 1 . 2 .]" 1
141 1 25 ASN H 1 26 LYS QG 2.938 2.137 4.232 3.882 3.364 4.172 . 0 0 "[ . 1 . 2 .]" 1
142 1 25 ASN H 1 26 LYS H 3.041 2.209 4.843 4.230 4.068 4.302 . 0 0 "[ . 1 . 2 .]" 1
143 1 26 LYS H 1 26 LYS HA 2.686 . 4.455 2.955 2.943 2.965 . 0 0 "[ . 1 . 2 .]" 1
144 1 26 LYS H 1 26 LYS HB2 2.829 2.060 4.112 2.606 2.492 2.719 . 0 0 "[ . 1 . 2 .]" 1
145 1 26 LYS H 1 26 LYS HB3 2.271 . 3.498 3.763 3.698 3.827 0.329 21 0 "[ . 1 . 2 .]" 1
146 1 26 LYS H 1 26 LYS QG 2.380 . 3.618 2.965 2.430 3.459 . 0 0 "[ . 1 . 2 .]" 1
147 1 25 ASN HA 1 27 GLY H 4.025 2.898 5.927 4.230 3.665 4.414 . 0 0 "[ . 1 . 2 .]" 1
148 1 26 LYS HA 1 27 GLY H 3.114 2.260 4.925 3.554 3.167 3.587 . 0 0 "[ . 1 . 2 .]" 1
149 1 26 LYS H 1 27 GLY H 2.438 . 4.182 2.256 2.172 2.457 . 0 0 "[ . 1 . 2 .]" 1
150 1 26 LYS HB3 1 27 GLY H 3.547 2.563 4.902 3.657 3.415 4.355 . 0 0 "[ . 1 . 2 .]" 1
151 1 27 GLY H 1 27 GLY HA3 2.381 . 2.619 2.816 2.777 2.880 0.261 6 0 "[ . 1 . 2 .]" 1
152 1 27 GLY H 1 27 GLY HA2 2.337 . 2.571 2.724 2.329 2.786 0.215 20 0 "[ . 1 . 2 .]" 1
153 1 27 GLY HA3 1 28 LYS H 2.687 . 2.956 2.317 2.164 2.468 . 0 0 "[ . 1 . 2 .]" 1
154 1 26 LYS H 1 30 LYS QG 2.917 2.122 4.209 4.240 4.125 4.347 0.138 2 0 "[ . 1 . 2 .]" 1
155 1 27 GLY H 1 28 LYS H 2.422 . 4.164 3.263 2.911 3.831 . 0 0 "[ . 1 . 2 .]" 1
156 1 28 LYS H 1 28 LYS HA 2.449 . 4.194 2.779 2.744 2.840 . 0 0 "[ . 1 . 2 .]" 1
157 1 28 LYS H 1 28 LYS QB 2.582 . 3.840 2.222 2.167 2.282 . 0 0 "[ . 1 . 2 .]" 1
158 1 29 GLY H 1 51 ILE HA 3.389 2.452 4.228 3.228 2.429 4.077 0.023 16 0 "[ . 1 . 2 .]" 1
159 1 28 LYS QG 1 29 GLY H 2.875 . 4.163 3.438 3.182 3.723 . 0 0 "[ . 1 . 2 .]" 1
160 1 28 LYS HD3 1 29 GLY H 4.310 3.097 5.741 5.235 4.528 5.892 0.151 22 0 "[ . 1 . 2 .]" 1
161 1 28 LYS QB 1 29 GLY H 2.200 . 3.420 2.083 1.810 2.393 0.090 23 0 "[ . 1 . 2 .]" 1
162 1 29 GLY H 1 29 GLY QA 2.373 . 2.610 2.419 2.353 2.437 . 0 0 "[ . 1 . 2 .]" 1
163 1 28 LYS H 1 28 LYS HG3 2.822 2.055 5.104 4.469 4.277 4.580 . 0 0 "[ . 1 . 2 .]" 1
164 1 29 GLY QA 1 30 LYS H 2.424 . 2.666 2.143 2.042 2.235 . 0 0 "[ . 1 . 2 .]" 1
165 1 30 LYS H 1 30 LYS QG 2.244 . 3.468 1.824 1.692 1.898 0.108 18 0 "[ . 1 . 2 .]" 1
166 1 30 LYS H 1 30 LYS QB 2.149 . 3.364 3.112 3.048 3.158 . 0 0 "[ . 1 . 2 .]" 1
167 1 30 LYS H 1 30 LYS HE2 2.975 2.162 4.273 4.270 3.757 4.733 0.460 16 0 "[ . 1 . 2 .]" 1
168 1 30 LYS H 1 30 LYS HA 2.658 . 4.424 2.917 2.905 2.949 . 0 0 "[ . 1 . 2 .]" 1
169 1 30 LYS H 1 31 LEU H 3.627 2.619 5.490 4.394 4.357 4.472 . 0 0 "[ . 1 . 2 .]" 1
170 1 30 LYS H 1 46 ASN QB 3.190 2.313 4.509 4.043 3.733 4.631 0.122 2 0 "[ . 1 . 2 .]" 1
171 1 30 LYS H 1 46 ASN HD21 3.371 2.440 3.708 3.504 2.483 3.924 0.216 23 0 "[ . 1 . 2 .]" 1
172 1 30 LYS HA 1 31 LEU H 2.225 . 3.948 2.370 2.331 2.400 . 0 0 "[ . 1 . 2 .]" 1
173 1 31 LEU H 1 31 LEU HB3 2.481 . 3.729 2.635 2.553 2.718 . 0 0 "[ . 1 . 2 .]" 1
174 1 31 LEU H 1 31 LEU QD 2.941 2.139 6.535 3.915 3.612 3.971 . 0 0 "[ . 1 . 2 .]" 1
175 1 31 LEU H 1 31 LEU HB2 2.713 . 3.984 3.272 2.914 3.366 . 0 0 "[ . 1 . 2 .]" 1
176 1 31 LEU H 1 31 LEU HG 4.399 3.159 4.839 4.343 4.258 4.749 . 0 0 "[ . 1 . 2 .]" 1
177 1 25 ASN HD21 1 32 SER HA 2.681 . 4.449 4.394 3.419 4.611 0.162 14 0 "[ . 1 . 2 .]" 1
178 1 25 ASN HD22 1 32 SER HA 2.377 . 4.115 3.588 3.216 4.662 0.547 15 2 "[ . 1 - + 2 .]" 1
179 1 31 LEU HB2 1 32 SER H 3.975 2.863 5.372 3.895 3.779 4.064 . 0 0 "[ . 1 . 2 .]" 1
180 1 31 LEU HG 1 32 SER H 3.048 2.213 4.353 2.909 2.558 4.176 . 0 0 "[ . 1 . 2 .]" 1
181 1 31 LEU HA 1 32 SER H 2.029 . 3.732 2.136 2.083 2.200 . 0 0 "[ . 1 . 2 .]" 1
182 1 32 SER H 1 32 SER QB 2.647 . 3.912 2.564 2.471 2.654 . 0 0 "[ . 1 . 2 .]" 1
183 1 32 SER HA 1 33 LEU H 2.918 2.123 4.710 2.291 2.189 2.382 . 0 0 "[ . 1 . 2 .]" 1
184 1 32 SER H 1 33 LEU MD2 2.532 . 5.185 4.240 3.595 5.143 . 0 0 "[ . 1 . 2 .]" 1
185 1 21 ASN HD21 1 33 LEU H 3.169 2.298 3.486 3.306 2.413 3.565 0.079 16 0 "[ . 1 . 2 .]" 1
186 1 21 ASN HD22 1 33 LEU H 2.771 2.020 3.048 2.053 1.913 2.294 0.107 22 0 "[ . 1 . 2 .]" 1
187 1 32 SER QB 1 33 LEU H 3.297 2.388 4.627 3.281 2.712 3.911 . 0 0 "[ . 1 . 2 .]" 1
188 1 33 LEU H 1 33 LEU HG 2.851 2.076 3.136 2.870 2.050 3.165 0.029 14 0 "[ . 1 . 2 .]" 1
189 1 33 LEU H 1 33 LEU MD1 2.742 . 6.316 3.272 2.116 4.094 . 0 0 "[ . 1 . 2 .]" 1
190 1 33 LEU H 1 33 LEU HB2 2.812 2.048 4.093 3.076 2.797 3.815 . 0 0 "[ . 1 . 2 .]" 1
191 1 33 LEU H 1 33 LEU HB3 2.609 . 3.870 3.861 3.483 3.938 0.068 14 0 "[ . 1 . 2 .]" 1
192 1 33 LEU H 1 33 LEU HA 3.125 2.268 4.937 2.917 2.858 2.942 . 0 0 "[ . 1 . 2 .]" 1
193 1 33 LEU MD1 1 34 SER H 2.699 . 5.369 4.721 3.798 5.121 . 0 0 "[ . 1 . 2 .]" 1
194 1 33 LEU HB3 1 34 SER H 3.075 2.232 4.383 2.988 2.490 3.659 . 0 0 "[ . 1 . 2 .]" 1
195 1 33 LEU MD1 1 41 LYS H 4.323 3.106 7.155 6.121 5.488 7.038 . 0 0 "[ . 1 . 2 .]" 1
196 1 33 LEU HA 1 34 SER H 2.036 . 3.740 2.215 2.101 2.348 . 0 0 "[ . 1 . 2 .]" 1
197 1 34 SER H 1 34 SER HB2 2.804 2.043 4.084 3.312 2.756 3.977 . 0 0 "[ . 1 . 2 .]" 1
198 1 34 SER H 1 34 SER HA 2.675 . 4.442 2.892 2.851 2.941 . 0 0 "[ . 1 . 2 .]" 1
199 1 34 SER HA 1 35 MET H 2.357 . 4.093 2.647 2.511 2.748 . 0 0 "[ . 1 . 2 .]" 1
200 1 34 SER HB2 1 35 MET H 2.468 . 3.715 3.004 1.950 3.777 0.062 13 0 "[ . 1 . 2 .]" 1
201 1 35 MET HA 1 36 ASN H 2.622 . 4.384 2.264 2.022 2.418 . 0 0 "[ . 1 . 2 .]" 1
202 1 36 ASN H 1 36 ASN HB2 3.516 2.541 4.868 3.085 2.672 3.397 . 0 0 "[ . 1 . 2 .]" 1
203 1 36 ASN H 1 36 ASN HB3 3.148 2.284 4.463 2.758 2.509 2.965 . 0 0 "[ . 1 . 2 .]" 1
204 1 36 ASN H 1 36 ASN HA 3.221 2.335 5.043 2.918 2.890 2.933 . 0 0 "[ . 1 . 2 .]" 1
205 1 37 GLY H 1 37 GLY HA2 3.552 2.567 3.907 2.348 2.330 2.373 0.237 15 0 "[ . 1 . 2 .]" 1
206 1 37 GLY H 1 37 GLY HA3 3.336 2.415 3.670 2.910 2.875 2.938 . 0 0 "[ . 1 . 2 .]" 1
207 1 37 GLY HA3 1 38 ASN HD21 4.774 3.422 5.251 4.243 3.787 4.771 . 0 0 "[ . 1 . 2 .]" 1
208 1 37 GLY HA3 1 38 ASN HD22 5.674 4.052 6.000 5.056 4.722 5.255 . 0 0 "[ . 1 . 2 .]" 1
209 1 38 ASN HB2 1 38 ASN HD22 3.547 2.563 4.902 3.739 3.438 3.983 . 0 0 "[ . 1 . 2 .]" 1
210 1 38 ASN HB2 1 38 ASN HD21 3.432 2.482 4.775 2.786 2.107 3.326 0.375 17 0 "[ . 1 . 2 .]" 1
211 1 39 GLN H 1 39 GLN QG 2.659 . 4.925 3.638 2.273 4.108 . 0 0 "[ . 1 . 2 .]" 1
212 1 36 ASN H 1 39 GLN QB 3.428 2.480 4.771 2.293 1.824 2.413 0.656 11 3 "[ . *1+ - . 2 .]" 1
213 1 39 GLN H 1 39 GLN QB 2.597 . 3.857 2.339 2.243 2.517 . 0 0 "[ . 1 . 2 .]" 1
214 1 39 GLN H 1 39 GLN HA 3.127 2.269 4.940 2.918 2.886 2.948 . 0 0 "[ . 1 . 2 .]" 1
215 1 39 GLN HA 1 39 GLN QE 2.826 2.058 4.609 3.712 1.969 4.640 0.089 20 0 "[ . 1 . 2 .]" 1
216 1 34 SER H 1 40 LEU MD2 2.772 2.020 5.449 3.418 2.839 4.099 . 0 0 "[ . 1 . 2 .]" 1
217 1 34 SER H 1 40 LEU HA 4.111 2.958 6.022 4.684 4.262 5.287 . 0 0 "[ . 1 . 2 .]" 1
218 1 39 GLN QG 1 40 LEU H 2.823 2.056 4.323 2.854 1.984 4.144 0.072 4 0 "[ . 1 . 2 .]" 1
219 1 40 LEU H 1 40 LEU HG 2.581 . 5.339 4.826 4.522 5.005 . 0 0 "[ . 1 . 2 .]" 1
220 1 40 LEU H 1 40 LEU MD2 2.514 . 5.165 4.312 4.181 4.378 . 0 0 "[ . 1 . 2 .]" 1
221 1 40 LEU H 1 40 LEU QB 2.304 . 3.534 2.395 2.104 2.591 . 0 0 "[ . 1 . 2 .]" 1
222 1 33 LEU HB2 1 34 SER H 2.634 . 3.897 3.586 2.752 3.979 0.082 23 0 "[ . 1 . 2 .]" 1
223 1 34 SER H 1 41 LYS HB3 3.486 2.520 4.835 4.013 3.521 4.508 . 0 0 "[ . 1 . 2 .]" 1
224 1 34 SER H 1 41 LYS H 2.476 . 4.224 2.881 2.545 3.410 . 0 0 "[ . 1 . 2 .]" 1
225 1 35 MET HA 1 41 LYS H 3.515 2.540 5.367 3.126 2.521 3.492 0.019 19 0 "[ . 1 . 2 .]" 1
226 1 36 ASN H 1 41 LYS HG3 3.680 2.656 5.048 3.950 2.876 4.966 . 0 0 "[ . 1 . 2 .]" 1
227 1 40 LEU MD1 1 41 LYS H 2.935 2.135 5.628 3.012 2.624 3.344 . 0 0 "[ . 1 . 2 .]" 1
228 1 41 LYS H 1 41 LYS HA 2.437 . 4.181 2.946 2.916 2.955 . 0 0 "[ . 1 . 2 .]" 1
229 1 41 LYS H 1 41 LYS HB2 2.963 2.154 4.259 2.615 2.410 2.709 . 0 0 "[ . 1 . 2 .]" 1
230 1 41 LYS H 1 41 LYS QD 3.050 2.215 4.355 3.819 3.579 4.263 . 0 0 "[ . 1 . 2 .]" 1
231 1 41 LYS H 1 41 LYS HG2 3.358 2.431 4.694 2.642 2.378 2.958 0.053 5 0 "[ . 1 . 2 .]" 1
232 1 33 LEU HB3 1 42 ALA H 2.993 2.175 5.292 5.433 4.555 5.647 0.355 24 0 "[ . 1 . 2 .]" 1
233 1 41 LYS HA 1 42 ALA H 2.352 . 4.087 2.196 2.136 2.253 . 0 0 "[ . 1 . 2 .]" 1
234 1 41 LYS QD 1 42 ALA H 3.427 2.479 4.770 4.162 3.803 4.647 . 0 0 "[ . 1 . 2 .]" 1
235 1 42 ALA H 1 42 ALA HA 3.531 2.552 5.384 2.937 2.908 2.956 . 0 0 "[ . 1 . 2 .]" 1
236 1 42 ALA H 1 42 ALA MB 2.781 2.027 4.559 2.402 2.140 2.718 . 0 0 "[ . 1 . 2 .]" 1
237 1 42 ALA MB 1 84 ASN HD21 3.384 2.449 5.222 4.084 2.743 5.319 0.097 25 0 "[ . 1 . 2 .]" 1
238 1 42 ALA MB 1 84 ASN HD22 3.297 2.388 5.127 3.640 2.968 4.512 . 0 0 "[ . 1 . 2 .]" 1
239 1 32 SER H 1 43 THR H 2.604 . 4.364 2.547 2.348 2.784 . 0 0 "[ . 1 . 2 .]" 1
240 1 32 SER H 1 43 THR HG1 2.538 . 4.292 3.522 2.392 4.018 . 0 0 "[ . 1 . 2 .]" 1
241 1 33 LEU MD1 1 43 THR H 3.070 2.229 5.777 5.438 4.708 5.851 0.074 16 0 "[ . 1 . 2 .]" 1
242 1 42 ALA HA 1 43 THR H 1.985 . 3.684 2.203 2.127 2.281 . 0 0 "[ . 1 . 2 .]" 1
243 1 43 THR H 1 43 THR HA 2.857 2.080 4.643 2.905 2.889 2.930 . 0 0 "[ . 1 . 2 .]" 1
244 1 43 THR H 1 43 THR HB 2.880 2.096 4.168 3.797 3.721 3.854 . 0 0 "[ . 1 . 2 .]" 1
245 1 43 THR H 1 43 THR HG1 2.339 . 2.573 2.356 1.991 2.661 0.088 21 0 "[ . 1 . 2 .]" 1
246 1 44 SER H 1 45 SER HA 2.807 2.045 4.588 4.689 4.634 4.752 0.164 2 0 "[ . 1 . 2 .]" 1
247 1 43 THR HA 1 44 SER H 2.330 . 4.063 2.166 2.085 2.284 . 0 0 "[ . 1 . 2 .]" 1
248 1 43 THR HB 1 44 SER H 2.892 2.104 3.181 3.200 2.807 3.351 0.170 16 0 "[ . 1 . 2 .]" 1
249 1 43 THR MG 1 44 SER H 2.971 2.160 4.768 3.798 3.660 4.026 . 0 0 "[ . 1 . 2 .]" 1
250 1 44 SER H 1 44 SER HA 3.438 2.487 5.282 2.969 2.960 2.977 . 0 0 "[ . 1 . 2 .]" 1
251 1 44 SER H 1 44 SER HB2 3.027 2.199 4.330 3.424 2.556 3.747 . 0 0 "[ . 1 . 2 .]" 1
252 1 30 LYS H 1 45 SER H 2.780 2.026 4.558 3.057 2.521 3.444 . 0 0 "[ . 1 . 2 .]" 1
253 1 31 LEU QD 1 45 SER H 2.732 . 6.005 4.701 4.530 4.851 . 0 0 "[ . 1 . 2 .]" 1
254 1 31 LEU HB2 1 45 SER H 2.710 . 4.981 5.258 5.157 5.405 0.424 17 0 "[ . 1 . 2 .]" 1
255 1 44 SER HA 1 45 SER H 2.174 . 3.891 2.159 2.108 2.489 . 0 0 "[ . 1 . 2 .]" 1
256 1 45 SER H 1 45 SER HA 2.692 . 4.461 2.928 2.906 2.941 . 0 0 "[ . 1 . 2 .]" 1
257 1 45 SER H 1 45 SER QB 2.262 . 3.488 2.443 2.342 2.654 . 0 0 "[ . 1 . 2 .]" 1
258 1 45 SER HA 1 47 ALA H 2.804 2.043 4.584 2.759 2.606 2.897 . 0 0 "[ . 1 . 2 .]" 1
259 1 46 ASN HA 1 47 ALA H 2.239 . 3.963 3.170 3.042 3.379 . 0 0 "[ . 1 . 2 .]" 1
260 1 47 ALA H 1 47 ALA HA 2.463 . 4.209 2.274 2.251 2.304 . 0 0 "[ . 1 . 2 .]" 1
261 1 47 ALA H 1 47 ALA MB 2.115 . 3.827 2.707 2.547 2.942 . 0 0 "[ . 1 . 2 .]" 1
262 1 47 ALA HA 1 48 GLY H 3.745 2.701 5.620 2.616 2.571 2.657 0.130 3 0 "[ . 1 . 2 .]" 1
263 1 47 ALA MB 1 48 GLY H 2.920 2.124 4.712 3.746 3.729 3.756 . 0 0 "[ . 1 . 2 .]" 1
264 1 47 ALA H 1 48 GLY H 3.078 2.235 4.886 3.245 2.968 3.453 . 0 0 "[ . 1 . 2 .]" 1
265 1 48 GLY H 1 48 GLY HA3 2.576 . 2.834 2.928 2.905 2.953 0.119 22 0 "[ . 1 . 2 .]" 1
266 1 48 GLY H 1 48 GLY HA2 2.400 . 2.640 2.415 2.328 2.481 . 0 0 "[ . 1 . 2 .]" 1
267 1 28 LYS QG 1 49 TYR H 2.646 . 4.911 5.038 4.775 5.148 0.237 2 0 "[ . 1 . 2 .]" 1
268 1 29 GLY H 1 49 TYR HB2 3.135 2.275 4.448 4.073 3.625 4.555 0.107 16 0 "[ . 1 . 2 .]" 1
269 1 48 GLY H 1 49 TYR H 2.678 . 4.377 2.327 2.066 3.006 . 0 0 "[ . 1 . 2 .]" 1
270 1 48 GLY HA2 1 49 TYR H 2.561 . 2.817 3.070 2.871 3.608 0.791 7 7 "[* * .*+ 1* . - *]" 1
271 1 49 TYR H 1 49 TYR QD 2.587 . 5.246 2.519 1.919 3.126 . 0 0 "[ . 1 . 2 .]" 1
272 1 49 TYR H 1 49 TYR HB2 2.274 . 3.501 2.563 2.396 2.715 . 0 0 "[ . 1 . 2 .]" 1
273 1 49 TYR H 1 49 TYR HA 2.859 2.081 4.645 2.909 2.766 2.947 . 0 0 "[ . 1 . 2 .]" 1
274 1 49 TYR H 1 49 TYR HB3 2.566 . 3.823 3.717 3.600 3.817 . 0 0 "[ . 1 . 2 .]" 1
275 1 49 TYR HB3 1 50 GLY H 2.603 . 3.863 2.617 2.449 2.806 . 0 0 "[ . 1 . 2 .]" 1
276 1 49 TYR HB2 1 50 GLY H 3.120 2.264 4.432 3.850 3.729 3.991 . 0 0 "[ . 1 . 2 .]" 1
277 1 50 GLY H 1 50 GLY HA3 2.368 . 2.605 2.386 2.340 2.421 . 0 0 "[ . 1 . 2 .]" 1
278 1 50 GLY HA3 1 51 ILE H 2.436 . 2.680 2.441 2.240 2.650 . 0 0 "[ . 1 . 2 .]" 1
279 1 50 GLY HA2 1 51 ILE H 2.351 . 2.586 2.754 2.520 2.937 0.351 23 0 "[ . 1 . 2 .]" 1
280 1 29 GLY H 1 51 ILE MD 3.826 2.758 5.709 4.782 3.637 5.895 0.186 10 0 "[ . 1 . 2 .]" 1
281 1 51 ILE H 1 51 ILE MD 2.435 . 4.178 2.411 1.742 2.972 0.058 10 0 "[ . 1 . 2 .]" 1
282 1 51 ILE H 1 51 ILE QG 2.446 . 3.633 2.009 1.756 2.407 0.044 16 0 "[ . 1 . 2 .]" 1
283 1 51 ILE H 1 51 ILE HB 2.318 . 2.550 2.770 2.641 2.998 0.448 3 0 "[ . 1 . 2 .]" 1
284 1 51 ILE H 1 51 ILE HA 2.882 2.097 4.670 2.767 2.714 2.815 . 0 0 "[ . 1 . 2 .]" 1
285 1 51 ILE QG 1 52 SER H 2.605 2.098 3.865 3.500 3.349 3.660 . 0 0 "[ . 1 . 2 .]" 1
286 1 51 ILE HB 1 52 SER H 2.318 . 2.550 1.896 1.739 2.103 0.061 12 0 "[ . 1 . 2 .]" 1
287 1 52 SER H 1 52 SER QB 2.718 2.110 3.990 3.158 2.918 3.390 . 0 0 "[ . 1 . 2 .]" 1
288 1 52 SER H 1 52 SER HA 2.443 . 4.187 2.753 2.609 2.823 . 0 0 "[ . 1 . 2 .]" 1
289 1 52 SER QB 1 53 TYR H 2.565 . 3.442 2.159 1.758 2.716 0.118 23 0 "[ . 1 . 2 .]" 1
290 1 53 TYR H 1 53 TYR QB 2.604 2.009 3.864 2.843 2.248 3.448 . 0 0 "[ . 1 . 2 .]" 1
291 1 53 TYR QB 1 54 GLU H 4.397 3.158 5.837 3.832 3.781 3.941 . 0 0 "[ . 1 . 2 .]" 1
292 1 53 TYR H 1 54 GLU H 2.348 . 4.083 3.423 2.802 3.845 . 0 0 "[ . 1 . 2 .]" 1
293 1 54 GLU H 1 54 GLU QB 2.152 . 3.367 2.655 2.379 2.909 . 0 0 "[ . 1 . 2 .]" 1
294 1 54 GLU H 1 54 GLU QG 2.433 . 3.676 3.275 2.916 3.642 . 0 0 "[ . 1 . 2 .]" 1
295 1 54 GLU H 1 54 GLU HA 2.359 . 4.095 2.913 2.849 2.934 . 0 0 "[ . 1 . 2 .]" 1
296 1 54 GLU HA 1 55 ASP H 1.900 . 3.590 2.634 2.301 2.826 . 0 0 "[ . 1 . 2 .]" 1
297 1 54 GLU HB2 1 55 ASP H 2.270 . 3.497 3.278 2.757 4.021 0.524 24 1 "[ . 1 . 2 +.]" 1
298 1 54 GLU QG 1 55 ASP H 2.590 . 3.849 3.741 3.664 3.809 . 0 0 "[ . 1 . 2 .]" 1
299 1 55 ASP H 1 55 ASP HA 2.587 . 4.346 2.892 2.788 2.942 . 0 0 "[ . 1 . 2 .]" 1
300 1 55 ASP H 1 55 ASP QB 2.213 . 3.165 2.918 2.633 3.229 0.064 10 0 "[ . 1 . 2 .]" 1
301 1 55 ASP QB 1 56 LYS H 3.229 2.340 4.552 3.100 2.784 3.541 . 0 0 "[ . 1 . 2 .]" 1
302 1 55 ASP HA 1 56 LYS H 1.985 . 3.684 2.113 2.000 2.204 . 0 0 "[ . 1 . 2 .]" 1
303 1 56 LYS H 1 56 LYS QG 2.822 2.055 4.104 3.655 2.178 3.933 . 0 0 "[ . 1 . 2 .]" 1
304 1 56 LYS H 1 56 LYS HB2 2.306 . 3.537 2.747 2.372 3.543 0.006 11 0 "[ . 1 . 2 .]" 1
305 1 56 LYS H 1 56 LYS QD 2.479 . 3.727 2.807 2.536 3.150 . 0 0 "[ . 1 . 2 .]" 1
306 1 56 LYS H 1 56 LYS HA 2.589 . 4.348 2.912 2.895 2.944 . 0 0 "[ . 1 . 2 .]" 1
307 1 56 LYS H 1 57 ASN H 2.941 2.139 4.735 4.175 3.798 4.362 . 0 0 "[ . 1 . 2 .]" 1
308 1 56 LYS H 1 57 ASN HD21 2.998 2.179 3.298 3.559 3.466 3.665 0.367 7 0 "[ . 1 . 2 .]" 1
309 1 55 ASP QB 1 56 LYS H 2.614 . 3.875 2.920 2.613 3.430 . 0 0 "[ . 1 . 2 .]" 1
310 1 56 LYS HA 1 57 ASN H 1.891 . 3.580 2.192 2.137 2.318 . 0 0 "[ . 1 . 2 .]" 1
311 1 56 LYS HB3 1 57 ASN H 2.501 . 3.751 3.263 2.522 3.819 0.068 3 0 "[ . 1 . 2 .]" 1
312 1 56 LYS QG 1 57 ASN H 2.779 2.025 5.057 4.163 3.644 4.891 . 0 0 "[ . 1 . 2 .]" 1
313 1 57 ASN H 1 57 ASN HB2 2.449 . 3.694 2.525 2.399 2.636 . 0 0 "[ . 1 . 2 .]" 1
314 1 57 ASN H 1 57 ASN HB3 2.688 . 3.957 3.710 3.623 3.777 . 0 0 "[ . 1 . 2 .]" 1
315 1 57 ASN H 1 57 ASN HA 2.945 2.141 4.740 2.929 2.866 2.948 . 0 0 "[ . 1 . 2 .]" 1
316 1 57 ASN HB2 1 58 TRP H 3.322 2.405 4.654 4.182 4.020 4.257 . 0 0 "[ . 1 . 2 .]" 1
317 1 57 ASN HB3 1 58 TRP H 2.414 . 3.655 3.136 2.877 3.291 . 0 0 "[ . 1 . 2 .]" 1
318 1 58 TRP H 1 58 TRP HD1 3.011 2.188 4.312 3.978 3.709 4.263 . 0 0 "[ . 1 . 2 .]" 1
319 1 58 TRP H 1 58 TRP HA 2.949 2.144 4.744 2.933 2.922 2.940 . 0 0 "[ . 1 . 2 .]" 1
320 1 58 TRP H 1 58 TRP HB3 2.275 . 3.502 3.394 3.289 3.521 0.019 6 0 "[ . 1 . 2 .]" 1
321 1 58 TRP H 1 59 GLY H 5.189 3.712 7.208 4.502 4.477 4.535 . 0 0 "[ . 1 . 2 .]" 1
322 1 58 TRP HA 1 59 GLY H 2.438 . 4.182 2.318 2.233 2.439 . 0 0 "[ . 1 . 2 .]" 1
323 1 58 TRP HB2 1 59 GLY H 3.131 2.272 4.444 4.030 3.888 4.129 . 0 0 "[ . 1 . 2 .]" 1
324 1 59 GLY H 1 59 GLY HA3 2.981 2.167 3.279 2.660 2.539 2.715 . 0 0 "[ . 1 . 2 .]" 1
325 1 59 GLY H 1 59 GLY HA2 2.647 . 2.912 2.902 2.873 2.925 0.013 15 0 "[ . 1 . 2 .]" 1
326 1 59 GLY HA3 1 60 ILE H 2.284 . 2.512 2.677 2.585 2.744 0.232 10 0 "[ . 1 . 2 .]" 1
327 1 59 GLY HA2 1 60 ILE H 2.570 . 2.827 2.207 2.121 2.366 . 0 0 "[ . 1 . 2 .]" 1
328 1 59 GLY H 1 61 PHE QE 2.862 2.083 5.548 3.817 3.430 5.088 . 0 0 "[ . 1 . 2 .]" 1
329 1 59 GLY H 1 60 ILE H 3.607 2.605 5.468 4.315 4.253 4.382 . 0 0 "[ . 1 . 2 .]" 1
330 1 60 ILE H 1 60 ILE HA 3.493 2.525 5.342 2.961 2.939 2.980 . 0 0 "[ . 1 . 2 .]" 1
331 1 60 ILE H 1 60 ILE HG13 2.459 . 3.705 2.968 2.784 3.199 . 0 0 "[ . 1 . 2 .]" 1
332 1 60 ILE H 1 60 ILE HG12 3.302 2.391 4.632 4.106 3.978 4.284 . 0 0 "[ . 1 . 2 .]" 1
333 1 60 ILE H 1 60 ILE MD 2.580 . 4.338 4.081 3.897 4.269 . 0 0 "[ . 1 . 2 .]" 1
334 1 60 ILE HG12 1 61 PHE H 3.719 2.683 5.091 4.758 4.650 4.869 . 0 0 "[ . 1 . 2 .]" 1
335 1 60 ILE HA 1 61 PHE H 2.592 . 4.351 2.198 2.152 2.251 . 0 0 "[ . 1 . 2 .]" 1
336 1 60 ILE MD 1 68 TYR H 2.227 . 3.950 3.943 3.850 4.027 0.077 24 0 "[ . 1 . 2 .]" 1
337 1 60 ILE HB 1 68 TYR H 2.743 . 4.017 2.709 2.538 2.885 . 0 0 "[ . 1 . 2 .]" 1
338 1 60 ILE HA 1 94 GLU H 2.758 2.011 4.534 3.776 3.491 4.130 . 0 0 "[ . 1 . 2 .]" 1
339 1 61 PHE H 1 61 PHE QB 3.694 2.666 4.407 2.585 2.518 2.669 0.148 10 0 "[ . 1 . 2 .]" 1
340 1 61 PHE H 1 61 PHE QD 2.961 2.153 5.657 2.074 1.975 3.099 0.178 5 0 "[ . 1 . 2 .]" 1
341 1 61 PHE HA 1 62 VAL H 2.295 . 4.025 2.128 2.086 2.194 . 0 0 "[ . 1 . 2 .]" 1
342 1 61 PHE H 1 93 ILE MG 2.827 2.059 4.610 3.452 2.880 4.119 . 0 0 "[ . 1 . 2 .]" 1
343 1 61 PHE H 1 62 VAL H 3.166 2.296 4.983 4.223 4.109 4.353 . 0 0 "[ . 1 . 2 .]" 1
344 1 62 VAL H 1 63 ASN H 2.724 . 4.496 4.261 4.134 4.364 . 0 0 "[ . 1 . 2 .]" 1
345 1 62 VAL HA 1 63 ASN H 2.308 . 4.039 2.132 2.059 2.200 . 0 0 "[ . 1 . 2 .]" 1
346 1 62 VAL H 1 65 GLU H 3.058 2.221 4.864 3.592 2.811 4.317 . 0 0 "[ . 1 . 2 .]" 1
347 1 65 GLU HA 1 66 LYS H 2.523 . 4.275 2.205 2.125 2.382 . 0 0 "[ . 1 . 2 .]" 1
348 1 62 VAL QG 1 63 ASN H 2.784 2.029 4.062 2.972 2.644 3.694 . 0 0 "[ . 1 . 2 .]" 1
349 1 63 ASN HB3 1 64 GLY H 3.370 2.439 4.707 4.421 4.298 4.459 . 0 0 "[ . 1 . 2 .]" 1
350 1 63 ASN H 1 92 TYR HB2 2.922 2.126 4.214 2.342 2.040 3.264 0.086 9 0 "[ . 1 . 2 .]" 1
351 1 61 PHE QB 1 64 GLY H 3.536 2.555 4.890 3.110 2.746 3.584 . 0 0 "[ . 1 . 2 .]" 1
352 1 63 ASN HA 1 64 GLY H 2.593 . 4.352 2.730 2.477 2.904 . 0 0 "[ . 1 . 2 .]" 1
353 1 64 GLY H 1 64 GLY HA3 2.457 . 2.703 2.856 2.773 2.932 0.229 14 0 "[ . 1 . 2 .]" 1
354 1 64 GLY H 1 64 GLY HA2 2.790 2.033 3.069 2.319 2.259 2.398 . 0 0 "[ . 1 . 2 .]" 1
355 1 64 GLY HA2 1 65 GLU H 2.324 . 2.556 3.076 2.669 3.503 0.947 18 12 "[ ***.-* ** *** +*2 .]" 1
356 1 64 GLY H 1 65 GLU H 2.979 2.165 4.672 2.854 2.584 3.116 . 0 0 "[ . 1 . 2 .]" 1
357 1 65 GLU H 1 65 GLU HB2 2.148 . 3.363 3.455 2.639 3.919 0.556 17 2 "[ . 1- . + 2 .]" 1
358 1 65 GLU H 1 65 GLU HB3 2.399 . 3.639 2.881 2.383 3.837 0.198 1 0 "[ . 1 . 2 .]" 1
359 1 65 GLU H 1 65 GLU HA 3.361 2.433 5.197 2.894 2.854 2.918 . 0 0 "[ . 1 . 2 .]" 1
360 1 65 GLU HB2 1 66 LYS H 3.147 2.283 4.462 3.605 2.560 4.400 . 0 0 "[ . 1 . 2 .]" 1
361 1 66 LYS H 1 66 LYS HA 3.124 2.267 4.936 2.868 2.833 2.902 . 0 0 "[ . 1 . 2 .]" 1
362 1 66 LYS H 1 66 LYS HB2 2.546 . 3.801 2.568 2.414 2.704 . 0 0 "[ . 1 . 2 .]" 1
363 1 66 LYS H 1 66 LYS HB3 2.517 . 3.769 2.775 2.417 3.692 . 0 0 "[ . 1 . 2 .]" 1
364 1 60 ILE H 1 67 VAL H 3.345 2.421 5.180 3.712 3.311 4.144 . 0 0 "[ . 1 . 2 .]" 1
365 1 61 PHE HA 1 67 VAL H 2.837 2.066 4.621 2.865 2.534 3.265 . 0 0 "[ . 1 . 2 .]" 1
366 1 66 LYS HA 1 67 VAL H 2.220 . 3.942 2.158 2.121 2.206 . 0 0 "[ . 1 . 2 .]" 1
367 1 66 LYS HG2 1 67 VAL H 3.144 2.281 4.458 4.038 3.278 4.623 0.165 10 0 "[ . 1 . 2 .]" 1
368 1 67 VAL H 1 67 VAL HA 3.022 2.195 4.824 2.873 2.803 2.930 . 0 0 "[ . 1 . 2 .]" 1
369 1 67 VAL H 1 67 VAL HB 3.291 2.384 3.620 3.107 2.434 3.707 0.087 15 0 "[ . 1 . 2 .]" 1
370 1 67 VAL H 1 67 VAL QG 2.251 . 3.476 1.952 1.872 2.138 . 0 0 "[ . 1 . 2 .]" 1
371 1 60 ILE H 1 68 TYR H 3.017 2.192 4.819 3.070 2.791 3.387 . 0 0 "[ . 1 . 2 .]" 1
372 1 66 LYS HA 1 68 TYR H 2.891 2.104 4.680 3.623 3.220 3.875 . 0 0 "[ . 1 . 2 .]" 1
373 1 67 VAL H 1 68 TYR H 2.159 . 3.875 2.408 1.999 2.621 . 0 0 "[ . 1 . 2 .]" 1
374 1 67 VAL HA 1 68 TYR H 2.908 2.116 4.699 3.471 3.338 3.524 . 0 0 "[ . 1 . 2 .]" 1
375 1 68 TYR H 1 68 TYR HB3 2.745 2.001 4.020 2.916 2.801 3.091 . 0 0 "[ . 1 . 2 .]" 1
376 1 68 TYR H 1 68 TYR HB2 3.251 2.356 4.576 3.316 3.214 3.415 . 0 0 "[ . 1 . 2 .]" 1
377 1 68 TYR H 1 68 TYR HA 2.794 2.036 4.573 2.902 2.850 2.933 . 0 0 "[ . 1 . 2 .]" 1
378 1 68 TYR HA 1 69 THR H 2.693 . 4.462 2.179 2.133 2.250 . 0 0 "[ . 1 . 2 .]" 1
379 1 57 ASN HD22 1 69 THR MG 3.290 2.383 5.119 5.285 5.158 5.388 0.269 6 0 "[ . 1 . 2 .]" 1
380 1 57 ASN HD21 1 69 THR MG 3.496 2.527 5.346 4.970 4.798 5.226 . 0 0 "[ . 1 . 2 .]" 1
381 1 68 TYR HB2 1 69 THR H 3.280 2.376 4.608 4.155 4.010 4.230 . 0 0 "[ . 1 . 2 .]" 1
382 1 68 TYR HB3 1 69 THR H 3.842 2.769 5.226 4.037 3.788 4.202 . 0 0 "[ . 1 . 2 .]" 1
383 1 69 THR H 1 69 THR HA 3.135 2.274 4.949 2.927 2.913 2.932 . 0 0 "[ . 1 . 2 .]" 1
384 1 69 THR H 1 69 THR HB 2.895 2.106 3.185 2.622 2.538 2.705 . 0 0 "[ . 1 . 2 .]" 1
385 1 69 THR H 1 69 THR MG 3.092 2.244 4.901 3.880 3.836 3.914 . 0 0 "[ . 1 . 2 .]" 1
386 1 58 TRP H 1 70 PHE H 2.447 . 4.192 3.378 2.884 3.725 . 0 0 "[ . 1 . 2 .]" 1
387 1 59 GLY HA2 1 70 PHE H 3.077 2.234 4.385 3.872 3.462 4.295 . 0 0 "[ . 1 . 2 .]" 1
388 1 68 TYR QE 1 70 PHE H 3.945 2.841 6.740 4.890 4.679 5.117 . 0 0 "[ . 1 . 2 .]" 1
389 1 69 THR MG 1 70 PHE H 2.481 . 4.229 2.922 2.561 3.288 . 0 0 "[ . 1 . 2 .]" 1
390 1 69 THR HB 1 70 PHE H 2.990 2.173 5.289 4.218 4.073 4.322 . 0 0 "[ . 1 . 2 .]" 1
391 1 69 THR HA 1 70 PHE H 2.105 . 3.816 2.170 2.133 2.215 . 0 0 "[ . 1 . 2 .]" 1
392 1 70 PHE H 1 70 PHE HA 2.618 . 4.380 2.942 2.921 2.954 . 0 0 "[ . 1 . 2 .]" 1
393 1 70 PHE H 1 70 PHE QD 2.712 . 5.383 3.263 3.103 3.387 . 0 0 "[ . 1 . 2 .]" 1
394 1 70 PHE HA 1 71 ASN H 2.167 . 3.884 2.294 2.119 2.489 . 0 0 "[ . 1 . 2 .]" 1
395 1 70 PHE QD 1 71 ASN H 4.033 2.903 6.836 3.346 2.961 3.923 . 0 0 "[ . 1 . 2 .]" 1
396 1 70 PHE HB3 1 71 ASN H 3.106 2.254 4.417 3.865 3.702 4.145 . 0 0 "[ . 1 . 2 .]" 1
397 1 70 PHE HB2 1 71 ASN H 2.427 . 3.670 2.591 2.285 3.146 . 0 0 "[ . 1 . 2 .]" 1
398 1 71 ASN H 1 71 ASN HA 2.544 . 4.298 2.939 2.911 2.948 . 0 0 "[ . 1 . 2 .]" 1
399 1 71 ASN H 1 71 ASN HB2 2.241 . 3.465 3.028 2.518 3.781 0.316 10 0 "[ . 1 . 2 .]" 1
400 1 71 ASN HB2 1 72 GLU H 2.927 2.129 4.220 3.685 2.994 4.226 0.006 3 0 "[ . 1 . 2 .]" 1
401 1 51 ILE H 1 72 GLU HA 4.148 2.984 6.063 4.227 3.867 4.582 . 0 0 "[ . 1 . 2 .]" 1
402 1 52 SER H 1 72 GLU QB 2.328 . 4.828 4.645 4.261 4.896 0.068 15 0 "[ . 1 . 2 .]" 1
403 1 56 LYS H 1 72 GLU H 3.059 2.221 4.865 3.217 2.907 3.734 . 0 0 "[ . 1 . 2 .]" 1
404 1 58 TRP HD1 1 72 GLU H 4.219 3.033 4.641 4.130 3.742 4.515 . 0 0 "[ . 1 . 2 .]" 1
405 1 71 ASN HA 1 72 GLU H 2.221 . 3.943 2.263 2.158 2.393 . 0 0 "[ . 1 . 2 .]" 1
406 1 72 GLU H 1 72 GLU HA 2.802 2.042 4.582 2.838 2.770 2.888 . 0 0 "[ . 1 . 2 .]" 1
407 1 72 GLU H 1 72 GLU QG 2.405 . 3.645 2.119 1.905 2.401 . 0 0 "[ . 1 . 2 .]" 1
408 1 72 GLU H 1 72 GLU QB 2.260 . 3.486 2.550 2.366 2.776 . 0 0 "[ . 1 . 2 .]" 1
409 1 72 GLU QB 1 73 LYS H 3.061 2.223 4.367 3.130 2.849 3.287 . 0 0 "[ . 1 . 2 .]" 1
410 1 72 GLU HA 1 73 LYS H 3.356 2.429 5.192 3.327 3.225 3.411 . 0 0 "[ . 1 . 2 .]" 1
411 1 73 LYS H 1 73 LYS QB 2.088 . 3.297 2.499 2.390 2.556 . 0 0 "[ . 1 . 2 .]" 1
412 1 73 LYS H 1 73 LYS HD2 2.195 . 4.414 4.483 4.250 4.742 0.328 2 0 "[ . 1 . 2 .]" 1
413 1 73 LYS H 1 73 LYS HA 2.729 . 4.502 2.852 2.807 2.891 . 0 0 "[ . 1 . 2 .]" 1
414 1 71 ASN HB2 1 74 SER H 3.173 2.301 4.490 2.825 2.210 3.805 0.091 23 0 "[ . 1 . 2 .]" 1
415 1 73 LYS H 1 74 SER H 2.418 . 4.160 2.394 2.228 2.598 . 0 0 "[ . 1 . 2 .]" 1
416 1 74 SER H 1 74 SER HA 2.346 . 4.081 2.843 2.792 2.875 . 0 0 "[ . 1 . 2 .]" 1
417 1 74 SER H 1 74 SER HB2 2.186 . 3.405 2.557 2.385 2.717 . 0 0 "[ . 1 . 2 .]" 1
418 1 74 SER H 1 74 SER HB3 2.439 . 3.683 2.830 2.494 3.576 . 0 0 "[ . 1 . 2 .]" 1
419 1 73 LYS QB 1 74 SER H 2.905 2.113 4.196 2.193 1.909 2.463 0.204 14 0 "[ . 1 . 2 .]" 1
420 1 74 SER H 1 79 ILE MD 3.638 2.627 5.502 4.280 3.527 5.292 . 0 0 "[ . 1 . 2 .]" 1
421 1 50 GLY H 1 75 THR MG 3.492 2.525 5.341 2.920 2.623 3.126 . 0 0 "[ . 1 . 2 .]" 1
422 1 74 SER HB2 1 75 THR H 2.984 2.169 4.282 4.335 4.194 4.497 0.215 19 0 "[ . 1 . 2 .]" 1
423 1 74 SER HB3 1 75 THR H 2.361 . 4.597 4.068 3.331 4.356 . 0 0 "[ . 1 . 2 .]" 1
424 1 75 THR H 1 75 THR HB 1.962 . 4.158 3.551 3.505 3.635 . 0 0 "[ . 1 . 2 .]" 1
425 1 75 THR H 1 75 THR HA 2.513 . 4.264 2.709 2.442 2.827 . 0 0 "[ . 1 . 2 .]" 1
426 1 75 THR H 1 75 THR MG 2.131 . 3.844 2.209 2.020 2.328 . 0 0 "[ . 1 . 2 .]" 1
427 1 75 THR HB 1 76 VAL H 2.992 2.174 4.291 3.437 3.261 3.662 . 0 0 "[ . 1 . 2 .]" 1
428 1 75 THR HB 1 77 GLY H 2.811 2.048 3.092 2.638 2.403 2.886 . 0 0 "[ . 1 . 2 .]" 1
429 1 50 GLY HA2 1 76 VAL H 3.214 2.330 5.035 2.383 2.184 2.713 0.146 22 0 "[ . 1 . 2 .]" 1
430 1 76 VAL H 1 76 VAL HB 3.113 2.259 3.424 3.387 3.241 3.501 0.077 24 0 "[ . 1 . 2 .]" 1
431 1 76 VAL H 1 76 VAL MG1 2.126 . 3.339 3.203 2.680 3.443 0.104 17 0 "[ . 1 . 2 .]" 1
432 1 76 VAL H 1 76 VAL MG2 2.172 . 2.889 1.734 1.704 1.806 0.096 8 0 "[ . 1 . 2 .]" 1
433 1 75 THR MG 1 77 GLY H 2.222 . 4.944 4.218 4.041 4.418 . 0 0 "[ . 1 . 2 .]" 1
434 1 75 THR H 1 77 GLY H 3.212 2.328 5.033 5.077 4.924 5.214 0.181 25 0 "[ . 1 . 2 .]" 1
435 1 76 VAL H 1 76 VAL HA 2.004 . 2.204 2.677 2.648 2.695 0.491 13 0 "[ . 1 . 2 .]" 1
436 1 76 VAL H 1 77 GLY H 2.926 2.128 4.719 2.739 2.655 2.817 . 0 0 "[ . 1 . 2 .]" 1
437 1 77 GLY H 1 77 GLY HA2 2.998 2.179 3.298 2.853 2.813 2.879 . 0 0 "[ . 1 . 2 .]" 1
438 1 77 GLY HA3 1 78 ASN H 2.567 . 2.824 2.496 2.390 2.571 . 0 0 "[ . 1 . 2 .]" 1
439 1 77 GLY HA3 1 79 ILE H 2.517 . 3.769 4.105 4.055 4.213 0.444 2 0 "[ . 1 . 2 .]" 1
440 1 77 GLY HA3 1 80 SER H 2.566 . 4.823 4.513 4.295 4.769 . 0 0 "[ . 1 . 2 .]" 1
441 1 78 ASN HA 1 78 ASN HD22 6.000 4.280 7.500 4.418 4.238 4.643 0.042 21 0 "[ . 1 . 2 .]" 1
442 1 78 ASN HA 1 78 ASN HD21 5.266 3.766 7.293 3.970 3.631 4.321 0.135 2 0 "[ . 1 . 2 .]" 1
443 1 75 THR HB 1 78 ASN H 2.805 2.043 3.086 3.231 3.160 3.328 0.242 24 0 "[ . 1 . 2 .]" 1
444 1 75 THR H 1 78 ASN H 3.461 2.503 5.307 4.717 4.283 5.381 0.074 24 0 "[ . 1 . 2 .]" 1
445 1 77 GLY H 1 78 ASN H 3.030 2.201 4.722 2.720 2.527 2.992 . 0 0 "[ . 1 . 2 .]" 1
446 1 78 ASN H 1 78 ASN HB2 2.292 . 3.521 2.509 2.434 2.608 . 0 0 "[ . 1 . 2 .]" 1
447 1 78 ASN H 1 78 ASN HA 3.478 2.515 5.326 2.830 2.797 2.857 . 0 0 "[ . 1 . 2 .]" 1
448 1 78 ASN H 1 79 ILE H 2.446 . 4.191 2.566 2.482 2.644 . 0 0 "[ . 1 . 2 .]" 1
449 1 78 ASN HB2 1 79 ILE H 2.451 . 3.696 3.602 3.000 4.143 0.447 10 0 "[ . 1 . 2 .]" 1
450 1 78 ASN HA 1 82 ASP H 2.717 . 4.489 4.559 4.447 4.657 0.168 19 0 "[ . 1 . 2 .]" 1
451 1 79 ILE H 1 79 ILE QG 2.425 . 3.649 2.382 2.282 2.487 . 0 0 "[ . 1 . 2 .]" 1
452 1 79 ILE H 1 79 ILE HB 2.410 . 2.651 2.411 2.256 2.517 . 0 0 "[ . 1 . 2 .]" 1
453 1 79 ILE H 1 79 ILE MD 2.902 2.111 4.692 3.637 3.458 3.775 . 0 0 "[ . 1 . 2 .]" 1
454 1 76 VAL MG1 1 80 SER H 2.890 2.103 5.179 4.381 4.022 4.775 . 0 0 "[ . 1 . 2 .]" 1
455 1 78 ASN H 1 80 SER H 2.449 . 4.194 4.232 4.085 4.310 0.116 24 0 "[ . 1 . 2 .]" 1
456 1 79 ILE HB 1 80 SER H 2.328 . 2.561 2.613 2.474 2.747 0.186 9 0 "[ . 1 . 2 .]" 1
457 1 79 ILE H 1 80 SER H 2.533 . 4.286 2.477 2.374 2.604 . 0 0 "[ . 1 . 2 .]" 1
458 1 80 SER H 1 80 SER HB2 1.966 . 3.163 2.758 2.662 2.815 . 0 0 "[ . 1 . 2 .]" 1
459 1 77 GLY HA2 1 81 ASN H 2.486 . 4.735 4.443 4.157 4.708 . 0 0 "[ . 1 . 2 .]" 1
460 1 80 SER HA 1 81 ASN H 2.403 . 4.143 3.410 3.376 3.464 . 0 0 "[ . 1 . 2 .]" 1
461 1 81 ASN H 1 81 ASN HB2 2.077 . 3.285 2.430 2.369 2.463 . 0 0 "[ . 1 . 2 .]" 1
462 1 81 ASN HB2 1 81 ASN HD21 2.641 . 3.905 2.862 2.107 3.336 . 0 0 "[ . 1 . 2 .]" 1
463 1 81 ASN HB2 1 81 ASN HD22 3.540 2.558 4.894 3.770 3.432 3.980 . 0 0 "[ . 1 . 2 .]" 1
464 1 82 ASP H 1 82 ASP HA 2.477 . 4.225 2.887 2.810 2.920 . 0 0 "[ . 1 . 2 .]" 1
465 1 79 ILE HB 1 82 ASP H 2.686 . 4.955 5.122 5.076 5.223 0.268 4 0 "[ . 1 . 2 .]" 1
466 1 82 ASP H 1 85 LYS QD 2.278 . 4.506 3.992 3.721 4.656 0.150 4 0 "[ . 1 . 2 .]" 1
467 1 42 ALA H 1 83 ILE HB 3.763 2.714 4.139 4.327 4.163 4.451 0.312 24 0 "[ . 1 . 2 .]" 1
468 1 42 ALA H 1 83 ILE MG 6.000 4.280 7.500 4.100 3.952 4.222 0.328 23 0 "[ . 1 . 2 .]" 1
469 1 82 ASP HB3 1 83 ILE H 3.074 2.232 4.381 3.707 3.492 3.899 . 0 0 "[ . 1 . 2 .]" 1
470 1 82 ASP HA 1 83 ILE H 3.523 2.546 5.375 3.518 3.476 3.561 . 0 0 "[ . 1 . 2 .]" 1
471 1 83 ILE H 1 83 ILE HG13 2.567 . 3.824 2.375 1.817 3.572 0.060 20 0 "[ . 1 . 2 .]" 1
472 1 83 ILE H 1 83 ILE MG 2.511 . 4.262 3.784 3.760 3.816 . 0 0 "[ . 1 . 2 .]" 1
473 1 83 ILE H 1 83 ILE HG12 2.143 . 3.357 2.831 1.915 3.350 . 0 0 "[ . 1 . 2 .]" 1
474 1 83 ILE H 1 83 ILE HA 2.377 . 4.115 2.815 2.770 2.858 . 0 0 "[ . 1 . 2 .]" 1
475 1 42 ALA MB 1 84 ASN H 3.556 2.569 5.412 4.031 3.277 5.002 . 0 0 "[ . 1 . 2 .]" 1
476 1 42 ALA H 1 84 ASN HD22 3.361 2.433 3.697 3.293 2.803 3.711 0.014 1 0 "[ . 1 . 2 .]" 1
477 1 42 ALA H 1 84 ASN HD21 4.423 3.176 4.865 3.994 3.100 4.906 0.076 16 0 "[ . 1 . 2 .]" 1
478 1 81 ASN HA 1 84 ASN H 4.340 3.118 6.274 3.943 3.597 4.472 . 0 0 "[ . 1 . 2 .]" 1
479 1 84 ASN H 1 84 ASN HA 2.477 . 4.225 2.842 2.798 2.885 . 0 0 "[ . 1 . 2 .]" 1
480 1 84 ASN H 1 84 ASN HB2 2.127 . 3.340 2.356 2.316 2.391 . 0 0 "[ . 1 . 2 .]" 1
481 1 84 ASN HB2 1 84 ASN HD21 2.464 . 3.710 2.957 2.116 3.335 . 0 0 "[ . 1 . 2 .]" 1
482 1 84 ASN HB2 1 84 ASN HD22 2.743 . 4.017 3.815 3.439 3.982 . 0 0 "[ . 1 . 2 .]" 1
483 1 84 ASN H 1 84 ASN HB3 2.124 . 3.336 3.553 3.539 3.569 0.233 24 0 "[ . 1 . 2 .]" 1
484 1 83 ILE HG12 1 84 ASN H 2.392 . 3.631 3.894 3.485 4.195 0.564 17 4 "[ . - 1 ** + 2 .]" 1
485 1 84 ASN HB2 1 85 LYS H 3.078 2.235 4.386 2.900 2.473 3.320 . 0 0 "[ . 1 . 2 .]" 1
486 1 83 ILE MG 1 84 ASN H 2.822 2.056 4.104 3.934 3.721 4.071 . 0 0 "[ . 1 . 2 .]" 1
487 1 84 ASN H 1 85 LYS HA 3.312 2.398 5.143 5.154 4.956 5.262 0.119 5 0 "[ . 1 . 2 .]" 1
488 1 85 LYS H 1 85 LYS HG2 2.886 2.100 4.175 2.241 1.990 2.427 0.110 18 0 "[ . 1 . 2 .]" 1
489 1 85 LYS H 1 85 LYS HB2 2.350 . 3.585 3.503 2.865 3.702 0.117 17 0 "[ . 1 . 2 .]" 1
490 1 85 LYS H 1 85 LYS HA 2.680 . 4.448 2.877 2.831 2.915 . 0 0 "[ . 1 . 2 .]" 1
491 1 84 ASN H 1 86 LEU H 2.701 . 4.471 4.306 4.044 4.502 0.031 18 0 "[ . 1 . 2 .]" 1
492 1 86 LEU H 1 86 LEU HA 2.437 . 4.181 2.727 2.683 2.770 . 0 0 "[ . 1 . 2 .]" 1
493 1 86 LEU H 1 86 LEU HG 3.056 2.219 3.362 3.642 3.521 3.696 0.334 12 0 "[ . 1 . 2 .]" 1
494 1 86 LEU H 1 86 LEU MD1 2.783 2.028 6.361 3.703 3.543 3.821 . 0 0 "[ . 1 . 2 .]" 1
495 1 86 LEU H 1 86 LEU HB2 2.680 . 3.948 2.267 2.212 2.339 . 0 0 "[ . 1 . 2 .]" 1
496 1 86 LEU H 1 86 LEU HB3 2.058 . 3.264 3.520 3.492 3.543 0.279 1 0 "[ . 1 . 2 .]" 1
497 1 40 LEU HA 1 87 ASN HD21 3.643 2.630 5.507 4.667 4.050 5.705 0.198 5 0 "[ . 1 . 2 .]" 1
498 1 40 LEU HA 1 87 ASN HD22 2.992 2.174 4.791 4.812 4.490 5.589 0.798 8 3 "[ * . +-1 . 2 .]" 1
499 1 85 LYS HA 1 87 ASN H 3.510 2.537 5.361 3.954 3.709 4.189 . 0 0 "[ . 1 . 2 .]" 1
500 1 86 LEU HB2 1 87 ASN H 4.344 3.121 5.778 2.981 2.844 3.131 0.277 11 0 "[ . 1 . 2 .]" 1
501 1 87 ASN H 1 87 ASN HB3 3.063 2.224 4.369 3.519 3.309 3.978 . 0 0 "[ . 1 . 2 .]" 1
502 1 87 ASN H 1 87 ASN HB2 2.959 2.151 4.255 2.899 2.680 3.313 . 0 0 "[ . 1 . 2 .]" 1
503 1 85 LYS HB2 1 87 ASN H 2.947 2.143 5.242 4.657 4.236 4.837 . 0 0 "[ . 1 . 2 .]" 1
504 1 40 LEU HG 1 88 ILE H 2.592 . 4.851 2.000 1.796 2.472 0.098 3 0 "[ . 1 . 2 .]" 1
505 1 87 ASN H 1 88 ILE H 3.810 2.790 5.691 3.302 3.074 3.638 . 0 0 "[ . 1 . 2 .]" 1
506 1 87 ASN HA 1 88 ILE H 3.003 2.182 4.803 2.457 2.299 2.602 . 0 0 "[ . 1 . 2 .]" 1
507 1 88 ILE H 1 88 ILE HA 3.196 2.317 5.016 2.849 2.798 2.891 . 0 0 "[ . 1 . 2 .]" 1
508 1 88 ILE H 1 88 ILE HB 2.601 . 2.861 2.556 2.472 2.682 . 0 0 "[ . 1 . 2 .]" 1
509 1 88 ILE H 1 88 ILE HG12 2.812 2.048 4.093 2.968 2.044 3.890 0.004 1 0 "[ . 1 . 2 .]" 1
510 1 88 ILE H 1 88 ILE HG13 2.462 . 3.708 3.121 1.986 3.786 0.078 24 0 "[ . 1 . 2 .]" 1
511 1 39 GLN H 1 89 LYS HB3 4.198 3.019 5.618 5.457 4.627 5.939 0.321 3 0 "[ . 1 . 2 .]" 1
512 1 35 MET HA 1 40 LEU H 3.138 2.277 4.952 4.440 4.037 4.801 . 0 0 "[ . 1 . 2 .]" 1
513 1 88 ILE HA 1 89 LYS H 2.308 . 4.039 2.191 2.146 2.228 . 0 0 "[ . 1 . 2 .]" 1
514 1 88 ILE MG 1 89 LYS H 2.806 2.044 4.587 3.251 3.078 3.377 . 0 0 "[ . 1 . 2 .]" 1
515 1 89 LYS H 1 89 LYS HD2 3.182 2.307 4.500 4.314 3.293 5.209 0.709 4 3 "[ +. 1-* . 2 .]" 1
516 1 89 LYS H 1 89 LYS HB3 2.499 . 3.749 3.453 2.814 3.901 0.152 3 0 "[ . 1 . 2 .]" 1
517 1 89 LYS H 1 89 LYS HA 3.028 2.200 4.831 2.904 2.813 2.949 . 0 0 "[ . 1 . 2 .]" 1
518 1 89 LYS HA 1 90 GLY H 2.494 . 4.243 2.271 2.107 2.675 . 0 0 "[ . 1 . 2 .]" 1
519 1 89 LYS HB3 1 90 GLY H 2.994 2.176 4.293 3.894 2.078 4.490 0.197 25 0 "[ . 1 . 2 .]" 1
520 1 90 GLY H 1 90 GLY HA2 2.958 2.150 3.254 2.411 2.270 2.894 . 0 0 "[ . 1 . 2 .]" 1
521 1 90 GLY H 1 90 GLY HA3 2.992 2.174 3.291 2.699 2.265 2.874 . 0 0 "[ . 1 . 2 .]" 1
522 1 90 GLY H 1 93 ILE QG 3.330 2.411 4.663 2.994 2.026 4.495 0.385 7 0 "[ . 1 . 2 .]" 1
523 1 91 PRO HB2 1 92 TYR H 3.294 2.386 4.623 2.304 2.150 2.358 0.236 24 0 "[ . 1 . 2 .]" 1
524 1 91 PRO HB3 1 92 TYR H 3.280 2.376 4.608 3.432 3.244 3.492 . 0 0 "[ . 1 . 2 .]" 1
525 1 91 PRO HG2 1 92 TYR H 2.705 . 3.975 4.032 3.997 4.074 0.099 8 0 "[ . 1 . 2 .]" 1
526 1 92 TYR H 1 92 TYR HB2 2.160 . 3.376 3.232 2.901 3.421 0.045 19 0 "[ . 1 . 2 .]" 1
527 1 62 VAL HA 1 93 ILE H 3.398 2.459 5.238 4.619 4.264 4.821 . 0 0 "[ . 1 . 2 .]" 1
528 1 93 ILE H 1 93 ILE HA 3.640 2.628 5.504 2.947 2.902 2.956 . 0 0 "[ . 1 . 2 .]" 1
529 1 93 ILE H 1 93 ILE HB 2.480 . 2.728 2.600 2.484 2.741 0.013 5 0 "[ . 1 . 2 .]" 1
530 1 93 ILE H 1 93 ILE QG 2.820 2.054 4.102 2.776 2.205 3.269 . 0 0 "[ . 1 . 2 .]" 1
531 1 60 ILE HB 1 61 PHE H 3.530 2.551 4.883 3.232 2.130 3.914 0.421 15 0 "[ . 1 . 2 .]" 1
532 1 62 VAL H 1 94 GLU H 2.787 2.031 4.566 4.565 4.392 4.720 0.154 16 0 "[ . 1 . 2 .]" 1
533 1 93 ILE HA 1 94 GLU H 2.437 . 4.181 2.115 2.034 2.197 . 0 0 "[ . 1 . 2 .]" 1
534 1 93 ILE HB 1 94 GLU H 4.461 3.203 4.907 4.031 3.758 4.264 . 0 0 "[ . 1 . 2 .]" 1
535 1 93 ILE QG 1 94 GLU H 2.771 2.020 4.048 4.012 3.882 4.235 0.187 15 0 "[ . 1 . 2 .]" 1
536 1 94 GLU H 1 94 GLU HB2 2.854 2.078 4.139 2.912 2.635 3.242 . 0 0 "[ . 1 . 2 .]" 1
537 1 60 ILE HA 1 95 ILE H 2.285 . 4.014 4.226 4.134 4.366 0.352 21 0 "[ . 1 . 2 .]" 1
538 1 60 ILE HG12 1 95 ILE H 2.968 2.158 5.265 5.035 4.629 5.286 0.021 7 0 "[ . 1 . 2 .]" 1
539 1 95 ILE H 1 95 ILE MD 3.313 2.399 5.144 3.762 3.520 4.032 . 0 0 "[ . 1 . 2 .]" 1
540 1 95 ILE H 1 95 ILE HA 4.008 2.886 5.909 2.913 2.891 2.931 . 0 0 "[ . 1 . 2 .]" 1
541 1 95 ILE H 1 95 ILE HG12 3.399 2.459 4.739 3.404 3.024 3.836 . 0 0 "[ . 1 . 2 .]" 1
542 1 95 ILE H 1 95 ILE HB 2.609 . 2.870 2.578 2.307 2.805 . 0 0 "[ . 1 . 2 .]" 1
543 1 58 TRP HZ2 1 96 LYS H 2.708 . 4.979 5.317 5.129 5.457 0.478 23 0 "[ . 1 . 2 .]" 1
544 1 59 GLY H 1 96 LYS H 2.622 . 4.384 3.322 3.075 3.643 . 0 0 "[ . 1 . 2 .]" 1
545 1 59 GLY H 1 96 LYS QG 2.927 2.129 5.220 4.939 4.757 5.063 . 0 0 "[ . 1 . 2 .]" 1
546 1 60 ILE H 1 96 LYS H 3.099 2.249 4.909 5.084 4.993 5.179 0.270 22 0 "[ . 1 . 2 .]" 1
547 1 95 ILE HA 1 96 LYS H 2.156 . 3.872 2.226 2.178 2.263 . 0 0 "[ . 1 . 2 .]" 1
548 1 96 LYS H 1 96 LYS HD2 2.222 . 3.444 3.279 2.598 3.491 0.047 5 0 "[ . 1 . 2 .]" 1
549 1 96 LYS H 1 96 LYS HA 2.720 . 4.492 2.858 2.843 2.876 . 0 0 "[ . 1 . 2 .]" 1
550 1 58 TRP HZ2 1 97 GLN H 3.075 2.232 3.383 3.455 3.379 3.549 0.166 15 0 "[ . 1 . 2 .]" 1
551 1 59 GLY H 1 97 GLN HA 2.989 2.172 4.788 3.032 2.677 3.276 . 0 0 "[ . 1 . 2 .]" 1
552 1 96 LYS QG 1 97 GLN H 3.158 2.290 4.474 3.076 2.529 4.232 . 0 0 "[ . 1 . 2 .]" 1
553 1 96 LYS HB2 1 97 GLN H 2.312 . 3.543 2.538 2.204 2.780 . 0 0 "[ . 1 . 2 .]" 1
554 1 96 LYS HA 1 97 GLN H 2.096 . 3.806 2.508 2.452 2.602 . 0 0 "[ . 1 . 2 .]" 1
555 1 97 GLN H 1 97 GLN HG2 2.022 . 3.224 2.227 1.906 3.558 0.334 19 0 "[ . 1 . 2 .]" 1
556 1 97 GLN H 1 97 GLN HB2 2.440 . 3.684 3.694 3.660 3.736 0.052 15 0 "[ . 1 . 2 .]" 1
557 1 97 GLN H 1 97 GLN HA 2.751 2.006 4.526 2.892 2.875 2.918 . 0 0 "[ . 1 . 2 .]" 1
558 1 58 TRP HA 1 98 ILE H 3.812 2.748 5.693 2.948 2.735 3.087 0.013 18 0 "[ . 1 . 2 .]" 1
559 1 59 GLY H 1 98 ILE MG 2.530 . 4.283 3.272 2.819 3.563 . 0 0 "[ . 1 . 2 .]" 1
560 1 59 GLY H 1 98 ILE MD 3.007 2.185 4.808 3.567 3.113 3.930 . 0 0 "[ . 1 . 2 .]" 1
561 1 97 GLN HA 1 98 ILE H 2.083 . 3.791 2.302 2.147 2.404 . 0 0 "[ . 1 . 2 .]" 1
562 1 98 ILE H 1 98 ILE MG 2.558 . 4.314 2.998 2.672 3.197 . 0 0 "[ . 1 . 2 .]" 1
563 1 98 ILE H 1 98 ILE QG 2.267 . 3.494 1.789 1.633 1.951 0.167 19 0 "[ . 1 . 2 .]" 1
564 1 98 ILE H 1 98 ILE MD 2.345 . 4.080 3.535 3.354 3.683 . 0 0 "[ . 1 . 2 .]" 1
565 1 14 MET HA 1 14 MET HB2 2.455 . 3.575 2.707 2.437 3.032 . 0 0 "[ . 1 . 2 .]" 1
566 1 15 ASN QB 1 16 SER HA 2.324 . 3.556 3.658 3.422 3.861 0.305 16 0 "[ . 1 . 2 .]" 1
567 1 16 SER QB 1 17 ILE HB 2.454 . 3.699 3.905 3.758 3.983 0.284 11 0 "[ . 1 . 2 .]" 1
568 1 16 SER QB 1 17 ILE MG 2.915 2.201 5.706 4.719 3.358 4.932 . 0 0 "[ . 1 . 2 .]" 1
569 1 16 SER QB 1 17 ILE MD 2.835 2.144 5.835 3.827 3.483 5.311 . 0 0 "[ . 1 . 2 .]" 1
570 1 17 ILE MD 1 34 SER HA 3.222 2.415 5.044 4.682 2.569 5.096 0.052 11 0 "[ . 1 . 2 .]" 1
571 1 17 ILE MG 1 34 SER HA 2.660 2.022 4.426 3.091 2.092 4.119 . 0 0 "[ . 1 . 2 .]" 1
572 1 17 ILE HA 1 17 ILE MG 2.382 . 4.043 2.501 2.315 3.201 . 0 0 "[ . 1 . 2 .]" 1
573 1 17 ILE HA 1 17 ILE QG 2.509 2.243 3.760 2.481 2.308 2.889 . 0 0 "[ . 1 . 2 .]" 1
574 1 17 ILE HA 1 17 ILE HB 2.947 2.223 3.026 2.964 2.386 3.025 . 0 0 "[ . 1 . 2 .]" 1
575 1 17 ILE HB 1 17 ILE MG 2.096 . 3.806 2.109 2.085 2.132 . 0 0 "[ . 1 . 2 .]" 1
576 1 17 ILE HB 1 17 ILE QG 2.656 2.019 3.857 2.285 2.159 2.357 . 0 0 "[ . 1 . 2 .]" 1
577 1 17 ILE QG 1 17 ILE MG 2.494 . 5.006 2.284 1.992 2.384 . 0 0 "[ . 1 . 2 .]" 1
578 1 17 ILE MD 1 17 ILE QG 2.349 . 4.981 1.870 1.854 1.890 0.026 4 0 "[ . 1 . 2 .]" 1
579 1 17 ILE HB 1 17 ILE MD 2.546 . 4.301 2.623 2.417 3.219 . 0 0 "[ . 1 . 2 .]" 1
580 1 17 ILE HA 1 17 ILE MD 2.610 . 4.371 3.397 1.962 3.829 0.025 24 0 "[ . 1 . 2 .]" 1
581 1 15 ASN HA 1 17 ILE MG 3.085 2.319 4.894 3.847 3.103 4.008 . 0 0 "[ . 1 . 2 .]" 1
582 1 18 ASN HA 1 18 ASN HB2 2.212 . 3.433 3.021 3.009 3.028 . 0 0 "[ . 1 . 2 .]" 1
583 1 15 ASN QB 1 19 SER HA 2.744 2.081 5.018 4.869 3.898 5.086 0.068 25 0 "[ . 1 . 2 .]" 1
584 1 17 ILE HA 1 20 VAL QG 2.827 2.139 5.110 2.151 1.737 3.405 0.402 14 0 "[ . 1 . 2 .]" 1
585 1 17 ILE HA 1 20 VAL HB 2.700 2.050 2.970 2.882 2.117 3.273 0.303 8 0 "[ . 1 . 2 .]" 1
586 1 20 VAL HA 1 20 VAL QG 3.021 2.343 3.142 2.274 2.160 2.379 0.183 4 0 "[ . 1 . 2 .]" 1
587 1 20 VAL HA 1 20 VAL HB 2.367 . 2.604 2.536 2.467 2.673 0.069 13 0 "[ . 1 . 2 .]" 1
588 1 20 VAL HB 1 20 VAL QG 2.368 . 3.039 1.877 1.860 1.886 0.020 14 0 "[ . 1 . 2 .]" 1
589 1 20 VAL MG1 1 20 VAL MG2 2.006 . 3.707 2.017 1.901 2.076 0.009 3 0 "[ . 1 . 2 .]" 1
590 1 20 VAL HA 1 23 LYS HG2 3.290 2.485 4.619 4.412 2.314 4.723 0.171 3 0 "[ . 1 . 2 .]" 1
591 1 17 ILE HB 1 20 VAL QG 2.275 . 5.503 4.189 4.051 4.372 . 0 0 "[ . 1 . 2 .]" 1
592 1 20 VAL HA 1 23 LYS HG3 3.463 2.584 5.809 4.725 2.826 5.590 . 0 0 "[ . 1 . 2 .]" 1
593 1 20 VAL QG 1 24 LEU MD1 2.133 . 5.746 2.112 1.885 2.410 . 0 0 "[ . 1 . 2 .]" 1
594 1 20 VAL QG 1 58 TRP HH2 2.500 2.236 4.250 2.141 1.977 2.383 0.259 2 0 "[ . 1 . 2 .]" 1
595 1 20 VAL QG 1 21 ASN HA 3.021 2.275 4.323 3.068 2.968 3.194 . 0 0 "[ . 1 . 2 .]" 1
596 1 21 ASN HA 1 21 ASN HB2 2.318 . 3.550 3.031 3.022 3.042 . 0 0 "[ . 1 . 2 .]" 1
597 1 19 SER HB2 1 22 ASP QB 2.756 2.319 4.032 3.254 2.731 4.428 0.396 15 0 "[ . 1 . 2 .]" 1
598 1 21 ASN HA 1 24 LEU HG 2.951 2.226 3.246 3.187 2.763 3.417 0.171 5 0 "[ . 1 . 2 .]" 1
599 1 22 ASP HA 1 22 ASP QB 2.469 . 3.255 2.416 2.400 2.448 . 0 0 "[ . 1 . 2 .]" 1
600 1 22 ASP QB 1 23 LYS HA 3.244 2.431 4.568 4.098 4.006 4.159 . 0 0 "[ . 1 . 2 .]" 1
601 1 20 VAL HA 1 23 LYS QB 2.792 2.114 3.981 3.772 2.491 4.076 0.095 9 0 "[ . 1 . 2 .]" 1
602 1 20 VAL HA 1 23 LYS QD 3.114 2.441 4.425 2.838 2.028 3.975 0.413 24 0 "[ . 1 . 2 .]" 1
603 1 23 LYS HA 1 23 LYS QB 2.028 . 3.231 2.354 2.245 2.536 . 0 0 "[ . 1 . 2 .]" 1
604 1 23 LYS HA 1 23 LYS HG2 2.378 2.137 3.616 3.474 2.579 3.735 0.119 6 0 "[ . 1 . 2 .]" 1
605 1 23 LYS HA 1 23 LYS HG3 2.297 2.001 3.527 2.639 2.333 3.838 0.311 3 0 "[ . 1 . 2 .]" 1
606 1 23 LYS HA 1 23 LYS QE 3.224 2.417 4.546 4.229 2.604 4.781 0.235 17 0 "[ . 1 . 2 .]" 1
607 1 23 LYS QB 1 23 LYS HG3 2.510 . 4.761 2.396 2.139 2.446 . 0 0 "[ . 1 . 2 .]" 1
608 1 23 LYS QB 1 23 LYS HG2 2.204 . 4.424 2.177 2.146 2.285 . 0 0 "[ . 1 . 2 .]" 1
609 1 23 LYS QE 1 23 LYS HG3 2.874 2.172 5.161 2.883 2.109 3.507 0.063 22 0 "[ . 1 . 2 .]" 1
610 1 23 LYS QE 1 23 LYS HG2 2.884 2.179 5.172 2.849 2.306 3.531 . 0 0 "[ . 1 . 2 .]" 1
611 1 23 LYS QD 1 23 LYS QE 2.477 . 4.636 2.010 1.977 2.093 . 0 0 "[ . 1 . 2 .]" 1
612 1 23 LYS QD 1 23 LYS HG3 2.286 . 4.515 2.282 2.163 2.422 . 0 0 "[ . 1 . 2 .]" 1
613 1 23 LYS QB 1 23 LYS QD . 2.837 5.078 2.375 1.992 2.721 0.845 25 12 "[** . ***1 . ***2-* *+]" 1
614 1 23 LYS HA 1 23 LYS QD 2.988 2.252 4.220 3.280 2.290 3.966 . 0 0 "[ . 1 . 2 .]" 1
615 1 23 LYS QB 1 24 LEU MD1 2.658 2.021 6.324 4.114 3.784 4.397 . 0 0 "[ . 1 . 2 .]" 1
616 1 23 LYS HA 1 26 LYS QD 2.888 2.182 5.177 4.535 3.539 5.064 . 0 0 "[ . 1 . 2 .]" 1
617 1 23 LYS QD 1 58 TRP HZ2 2.965 2.235 4.262 3.662 2.807 4.187 . 0 0 "[ . 1 . 2 .]" 1
618 1 20 VAL QG 1 24 LEU HG 2.610 2.463 3.871 3.100 2.488 3.436 . 0 0 "[ . 1 . 2 .]" 1
619 1 21 ASN HA 1 24 LEU HB2 2.506 2.014 3.757 2.448 2.061 2.742 . 0 0 "[ . 1 . 2 .]" 1
620 1 23 LYS QB 1 24 LEU HA 2.497 . 3.747 3.646 3.500 3.726 . 0 0 "[ . 1 . 2 .]" 1
621 1 24 LEU HA 1 24 LEU HB3 2.607 . 3.467 2.454 2.438 2.471 . 0 0 "[ . 1 . 2 .]" 1
622 1 24 LEU HA 1 24 LEU HB2 2.723 2.066 3.462 3.010 3.000 3.017 . 0 0 "[ . 1 . 2 .]" 1
623 1 24 LEU HA 1 24 LEU HG . 2.186 3.183 3.131 3.039 3.219 0.036 17 0 "[ . 1 . 2 .]" 1
624 1 24 LEU HB2 1 24 LEU HG 2.582 . 3.539 2.473 2.416 2.518 . 0 0 "[ . 1 . 2 .]" 1
625 1 24 LEU HB3 1 24 LEU HG 2.877 2.174 4.165 3.023 3.018 3.029 . 0 0 "[ . 1 . 2 .]" 1
626 1 24 LEU MD1 1 24 LEU HG 2.004 . 5.504 2.083 2.069 2.111 . 0 0 "[ . 1 . 2 .]" 1
627 1 24 LEU HB2 1 24 LEU MD1 2.182 . 6.700 2.271 2.205 2.424 . 0 0 "[ . 1 . 2 .]" 1
628 1 24 LEU HA 1 24 LEU MD1 2.021 . 5.523 3.873 3.819 3.896 . 0 0 "[ . 1 . 2 .]" 1
629 1 24 LEU MD1 1 58 TRP HH2 2.939 2.217 5.633 3.471 3.011 3.881 . 0 0 "[ . 1 . 2 .]" 1
630 1 22 ASP HA 1 25 ASN HB3 2.599 . 3.859 3.992 3.302 4.192 0.333 16 0 "[ . 1 . 2 .]" 1
631 1 22 ASP HA 1 25 ASN HB2 1.991 . 3.190 2.756 2.426 3.969 0.779 5 3 "[ + 1 - * 2 .]" 1
632 1 24 LEU HB2 1 25 ASN HA 2.653 2.017 3.918 4.189 4.083 4.296 0.378 17 0 "[ . 1 . 2 .]" 1
633 1 25 ASN HA 1 25 ASN HB3 2.327 . 3.560 2.646 2.554 2.998 . 0 0 "[ . 1 . 2 .]" 1
634 1 25 ASN HA 1 30 LYS HD3 2.628 . 4.891 3.884 3.237 4.274 . 0 0 "[ . 1 . 2 .]" 1
635 1 23 LYS HA 1 26 LYS QG 3.242 2.429 4.566 3.820 3.454 4.469 . 0 0 "[ . 1 . 2 .]" 1
636 1 26 LYS HA 1 26 LYS HB2 2.437 . 3.413 3.005 2.973 3.024 . 0 0 "[ . 1 . 2 .]" 1
637 1 26 LYS HA 1 26 LYS HB3 2.641 2.009 3.510 2.503 2.387 2.619 . 0 0 "[ . 1 . 2 .]" 1
638 1 26 LYS HA 1 26 LYS QG 2.127 . 3.340 2.365 2.258 2.791 . 0 0 "[ . 1 . 2 .]" 1
639 1 26 LYS HB3 1 26 LYS QG 2.287 . 4.516 2.347 2.166 2.418 . 0 0 "[ . 1 . 2 .]" 1
640 1 26 LYS HB2 1 26 LYS QG 2.319 . 4.551 2.337 2.158 2.417 . 0 0 "[ . 1 . 2 .]" 1
641 1 26 LYS HE2 1 26 LYS QG 2.692 2.044 4.961 2.843 2.329 3.500 . 0 0 "[ . 1 . 2 .]" 1
642 1 26 LYS QD 1 26 LYS HE3 2.401 . 4.641 2.299 2.171 2.378 . 0 0 "[ . 1 . 2 .]" 1
643 1 26 LYS QD 1 26 LYS QG 2.346 . 4.581 2.042 1.996 2.088 . 0 0 "[ . 1 . 2 .]" 1
644 1 26 LYS HB2 1 26 LYS QD 2.713 2.059 4.984 2.519 2.345 3.464 . 0 0 "[ . 1 . 2 .]" 1
645 1 26 LYS HA 1 26 LYS QD 2.946 2.222 5.241 4.001 3.149 4.231 . 0 0 "[ . 1 . 2 .]" 1
646 1 26 LYS QD 1 51 ILE MG 2.653 2.017 4.918 2.129 1.669 3.566 0.348 18 0 "[ . 1 . 2 .]" 1
647 1 28 LYS HA 1 28 LYS QB 2.437 . 3.427 2.409 2.359 2.531 . 0 0 "[ . 1 . 2 .]" 1
648 1 28 LYS QB 1 28 LYS HD3 2.731 2.270 4.863 2.369 2.247 3.371 0.023 20 0 "[ . 1 . 2 .]" 1
649 1 28 LYS QB 1 28 LYS HG3 2.606 . 4.744 2.405 2.333 2.510 . 0 0 "[ . 1 . 2 .]" 1
650 1 28 LYS HA 1 28 LYS HD3 2.552 . 3.807 3.448 2.861 4.601 0.794 17 4 "[* - . 1 . + 2 *]" 1
651 1 28 LYS HA 1 28 LYS HG3 2.768 2.097 4.045 2.747 2.316 3.028 . 0 0 "[ . 1 . 2 .]" 1
652 1 28 LYS HA 1 28 LYS HG2 2.698 2.049 3.968 3.606 3.116 3.813 . 0 0 "[ . 1 . 2 .]" 1
653 1 28 LYS QE 1 28 LYS HG2 2.944 2.221 4.671 2.558 2.309 3.495 . 0 0 "[ . 1 . 2 .]" 1
654 1 28 LYS QE 1 28 LYS HG3 2.841 2.149 5.125 2.781 2.385 3.531 . 0 0 "[ . 1 . 2 .]" 1
655 1 28 LYS HD3 1 28 LYS QE 2.357 . 4.288 2.297 2.169 2.391 . 0 0 "[ . 1 . 2 .]" 1
656 1 28 LYS HD3 1 28 LYS HG3 2.600 . 4.860 2.904 2.424 3.025 . 0 0 "[ . 1 . 2 .]" 1
657 1 28 LYS HD3 1 28 LYS HG2 3.346 2.502 5.681 2.577 2.394 2.999 0.108 17 0 "[ . 1 . 2 .]" 1
658 1 28 LYS QB 1 28 LYS QE 3.482 2.597 5.302 3.336 2.134 3.835 0.463 22 0 "[ . 1 . 2 .]" 1
659 1 28 LYS HA 1 28 LYS QE 3.489 2.602 4.838 4.167 2.175 4.676 0.427 22 0 "[ . 1 . 2 .]" 1
660 1 28 LYS QE 1 53 TYR QE 2.929 2.210 6.622 4.889 2.796 6.409 . 0 0 "[ . 1 . 2 .]" 1
661 1 25 ASN HA 1 30 LYS QG 2.712 2.058 3.983 2.678 2.300 2.919 . 0 0 "[ . 1 . 2 .]" 1
662 1 29 GLY QA 1 30 LYS HE2 2.658 2.045 4.924 4.050 3.380 4.987 0.063 16 0 "[ . 1 . 2 .]" 1
663 1 29 GLY QA 1 30 LYS QG 2.398 . 3.638 2.522 2.411 2.680 . 0 0 "[ . 1 . 2 .]" 1
664 1 30 LYS QB 1 30 LYS QG 2.504 2.013 4.352 2.058 2.054 2.066 . 0 0 "[ . 1 . 2 .]" 1
665 1 30 LYS HA 1 30 LYS QG 2.489 2.027 3.738 3.175 3.145 3.227 . 0 0 "[ . 1 . 2 .]" 1
666 1 30 LYS HA 1 30 LYS QB 2.206 . 3.427 2.153 2.144 2.166 . 0 0 "[ . 1 . 2 .]" 1
667 1 30 LYS HE2 1 30 LYS QG 2.602 . 4.570 2.654 2.304 3.030 . 0 0 "[ . 1 . 2 .]" 1
668 1 30 LYS QB 1 30 LYS QG 2.260 . 4.486 2.058 2.054 2.066 . 0 0 "[ . 1 . 2 .]" 1
669 1 30 LYS HA 1 30 LYS HD3 2.520 . 4.772 4.805 4.697 4.846 0.074 20 0 "[ . 1 . 2 .]" 1
670 1 30 LYS HD3 1 30 LYS QG 2.498 . 4.748 2.373 2.341 2.437 . 0 0 "[ . 1 . 2 .]" 1
671 1 30 LYS HA 1 30 LYS HE2 3.056 2.299 4.362 4.285 4.038 4.538 0.176 13 0 "[ . 1 . 2 .]" 1
672 1 30 LYS QB 1 30 LYS QG 2.459 . 4.705 1.942 1.929 1.947 . 0 0 "[ . 1 . 2 .]" 1
673 1 30 LYS QG 1 44 SER HB2 2.352 . 4.587 3.927 3.484 4.559 . 0 0 "[ . 1 . 2 .]" 1
674 1 30 LYS QG 1 44 SER HB3 2.440 . 4.684 4.041 3.631 4.733 0.049 23 0 "[ . 1 . 2 .]" 1
675 1 30 LYS QG 1 44 SER HB3 3.319 2.483 5.651 5.200 4.224 5.426 . 0 0 "[ . 1 . 2 .]" 1
676 1 30 LYS QG 1 44 SER HB2 3.151 2.366 5.466 4.660 4.181 5.459 . 0 0 "[ . 1 . 2 .]" 1
677 1 17 ILE MD 1 20 VAL QG 2.802 2.121 6.482 4.101 2.289 4.767 . 0 0 "[ . 1 . 2 .]" 1
678 1 20 VAL QG 1 31 LEU HG 4.325 3.187 4.621 4.491 4.336 4.619 . 0 0 "[ . 1 . 2 .]" 1
679 1 31 LEU QD 1 79 ILE HB 2.391 . 5.030 3.690 3.038 4.161 . 0 0 "[ . 1 . 2 .]" 1
680 1 24 LEU HB3 1 31 LEU HG 2.534 . 3.787 3.384 3.058 3.645 . 0 0 "[ . 1 . 2 .]" 1
681 1 24 LEU HB2 1 31 LEU HG 2.516 . 3.768 3.949 3.868 4.027 0.259 1 0 "[ . 1 . 2 .]" 1
682 1 24 LEU HG 1 31 LEU HG 2.000 . 5.200 4.663 4.510 4.878 . 0 0 "[ . 1 . 2 .]" 1
683 1 24 LEU MD1 1 31 LEU HG 2.041 . 5.545 1.942 1.765 2.083 0.195 21 0 "[ . 1 . 2 .]" 1
684 1 24 LEU MD1 1 31 LEU HB2 2.094 . 6.603 3.570 2.898 3.848 . 0 0 "[ . 1 . 2 .]" 1
685 1 31 LEU HA 1 31 LEU HB2 2.662 2.023 3.433 2.318 2.287 2.346 . 0 0 "[ . 1 . 2 .]" 1
686 1 31 LEU HA 1 31 LEU HB3 2.769 2.098 3.692 2.992 2.967 3.002 . 0 0 "[ . 1 . 2 .]" 1
687 1 31 LEU HA 1 31 LEU QD 2.398 2.130 4.631 2.064 1.930 2.236 0.200 17 0 "[ . 1 . 2 .]" 1
688 1 31 LEU HB2 1 31 LEU HG 2.559 . 3.344 2.990 2.316 3.030 . 0 0 "[ . 1 . 2 .]" 1
689 1 31 LEU HB2 1 31 LEU QD 2.764 2.095 5.579 2.126 2.066 2.312 0.029 9 0 "[ . 1 . 2 .]" 1
690 1 31 LEU HA 1 31 LEU HG 2.932 2.212 3.143 3.288 3.235 3.587 0.444 17 0 "[ . 1 . 2 .]" 1
691 1 31 LEU HB3 1 31 LEU QD 2.423 2.188 5.918 2.201 2.170 2.315 0.018 14 0 "[ . 1 . 2 .]" 1
692 1 31 LEU HB3 1 31 LEU HG 2.439 . 3.433 2.451 2.426 2.466 . 0 0 "[ . 1 . 2 .]" 1
693 1 31 LEU QD 1 31 LEU HG 2.339 . 4.560 1.870 1.843 1.894 0.037 17 0 "[ . 1 . 2 .]" 1
694 1 31 LEU MD1 1 31 LEU MD2 1.974 . 7.715 1.932 1.853 2.081 0.027 18 0 "[ . 1 . 2 .]" 1
695 1 31 LEU HG 1 70 PHE HZ 3.118 2.343 5.430 5.144 4.476 5.469 0.039 12 0 "[ . 1 . 2 .]" 1
696 1 31 LEU HG 1 70 PHE QE 2.989 2.252 5.688 5.443 4.703 5.711 0.023 23 0 "[ . 1 . 2 .]" 1
697 1 31 LEU QD 1 79 ILE MG 2.468 . 6.615 2.930 2.496 3.781 . 0 0 "[ . 1 . 2 .]" 1
698 1 31 LEU QD 1 80 SER HB2 2.507 . 6.158 2.049 1.829 2.702 0.086 6 0 "[ . 1 . 2 .]" 1
699 1 31 LEU HG 1 80 SER HB2 3.155 2.369 4.470 3.201 2.614 4.280 . 0 0 "[ . 1 . 2 .]" 1
700 1 31 LEU QD 1 80 SER HB3 2.649 2.014 6.314 3.347 3.113 3.988 . 0 0 "[ . 1 . 2 .]" 1
701 1 32 SER HA 1 32 SER QB 2.224 . 3.408 2.403 2.363 2.466 . 0 0 "[ . 1 . 2 .]" 1
702 1 32 SER HA 1 33 LEU MD1 3.259 2.441 5.985 4.056 2.521 4.848 . 0 0 "[ . 1 . 2 .]" 1
703 1 32 SER HA 1 33 LEU MD2 2.811 2.128 5.492 4.571 4.260 4.945 . 0 0 "[ . 1 . 2 .]" 1
704 1 32 SER HA 1 33 LEU HG 3.043 2.290 3.347 3.509 3.349 3.635 0.288 10 0 "[ . 1 . 2 .]" 1
705 1 32 SER HA 1 33 LEU QD 2.955 2.229 5.650 3.605 2.513 4.102 . 0 0 "[ . 1 . 2 .]" 1
706 1 31 LEU QD 1 32 SER HA 2.834 2.144 4.334 3.650 2.812 3.801 . 0 0 "[ . 1 . 2 .]" 1
707 1 17 ILE HA 1 33 LEU MD1 3.183 2.388 5.901 4.285 2.904 5.724 . 0 0 "[ . 1 . 2 .]" 1
708 1 17 ILE HB 1 33 LEU MD1 3.618 2.693 6.380 6.020 4.352 6.477 0.097 1 0 "[ . 1 . 2 .]" 1
709 1 17 ILE MG 1 33 LEU HB3 2.454 . 5.199 4.508 3.536 6.159 0.960 20 2 "[ . 1 . + -]" 1
710 1 20 VAL QG 1 33 LEU MD1 2.387 . 6.026 1.848 1.497 2.244 0.383 3 0 "[ . 1 . 2 .]" 1
711 1 20 VAL HB 1 33 LEU MD1 3.188 2.392 5.907 4.085 3.679 4.809 . 0 0 "[ . 1 . 2 .]" 1
712 1 21 ASN HA 1 33 LEU MD1 3.329 2.490 6.062 4.094 2.848 4.847 . 0 0 "[ . 1 . 2 .]" 1
713 1 21 ASN HA 1 33 LEU MD2 3.411 2.548 6.152 5.548 4.861 5.923 . 0 0 "[ . 1 . 2 .]" 1
714 1 31 LEU HG 1 33 LEU HG 2.801 2.121 5.081 2.870 2.421 4.479 . 0 0 "[ . 1 . 2 .]" 1
715 1 31 LEU HG 1 33 LEU MD1 2.749 2.084 5.980 3.452 2.430 4.931 . 0 0 "[ . 1 . 2 .]" 1
716 1 31 LEU QD 1 33 LEU MD2 1.999 . 7.899 2.165 1.755 2.838 0.125 22 0 "[ . 1 . 2 .]" 1
717 1 31 LEU HG 1 33 LEU MD2 2.120 . 4.732 2.958 2.471 3.773 . 0 0 "[ . 1 . 2 .]" 1
718 1 32 SER QB 1 33 LEU MD2 2.885 2.180 6.573 5.008 4.414 5.767 . 0 0 "[ . 1 . 2 .]" 1
719 1 33 LEU HB3 1 33 LEU QD 2.061 . 5.667 2.080 2.008 2.251 . 0 0 "[ . 1 . 2 .]" 1
720 1 33 LEU HB2 1 33 LEU QD 2.274 . 5.901 2.119 1.992 2.266 . 0 0 "[ . 1 . 2 .]" 1
721 1 33 LEU HB2 1 33 LEU HG 2.823 2.136 3.948 2.749 2.542 3.009 . 0 0 "[ . 1 . 2 .]" 1
722 1 33 LEU HB3 1 33 LEU HG 2.563 . 3.747 2.828 2.464 3.018 . 0 0 "[ . 1 . 2 .]" 1
723 1 33 LEU HA 1 33 LEU HB2 2.626 . 3.567 2.949 2.589 3.017 . 0 0 "[ . 1 . 2 .]" 1
724 1 33 LEU HA 1 33 LEU HB3 2.648 2.014 3.748 2.305 2.214 2.364 . 0 0 "[ . 1 . 2 .]" 1
725 1 33 LEU HA 1 33 LEU MD1 2.151 2.033 5.666 3.780 3.489 3.953 . 0 0 "[ . 1 . 2 .]" 1
726 1 33 LEU HA 1 33 LEU HG 2.731 2.110 3.004 3.063 2.793 3.373 0.369 20 0 "[ . 1 . 2 .]" 1
727 1 33 LEU MD1 1 33 LEU HG 2.098 . 5.608 2.102 2.064 2.141 . 0 0 "[ . 1 . 2 .]" 1
728 1 33 LEU HB2 1 33 LEU MD1 2.282 . 6.810 2.189 2.056 2.361 . 0 0 "[ . 1 . 2 .]" 1
729 1 33 LEU HB3 1 33 LEU MD1 2.178 . 6.696 2.784 2.408 3.197 . 0 0 "[ . 1 . 2 .]" 1
730 1 33 LEU HA 1 33 LEU MD2 1.879 . 4.467 2.966 2.238 3.983 . 0 0 "[ . 1 . 2 .]" 1
731 1 33 LEU HB3 1 33 LEU MD2 2.339 . 5.973 2.167 2.049 2.305 . 0 0 "[ . 1 . 2 .]" 1
732 1 33 LEU MD2 1 33 LEU HG 1.978 . 4.576 2.111 2.081 2.135 . 0 0 "[ . 1 . 2 .]" 1
733 1 33 LEU HB2 1 33 LEU MD2 2.100 . 5.710 2.924 2.434 3.183 . 0 0 "[ . 1 . 2 .]" 1
734 1 31 LEU HB2 1 33 LEU HB3 2.572 . 7.129 4.017 3.321 4.620 . 0 0 "[ . 1 . 2 .]" 1
735 1 31 LEU HB2 1 33 LEU HB2 2.662 2.024 7.228 5.283 3.633 6.025 . 0 0 "[ . 1 . 2 .]" 1
736 1 33 LEU HB3 1 40 LEU QB 2.285 . 5.914 2.944 1.970 3.794 . 0 0 "[ . 1 . 2 .]" 1
737 1 33 LEU MD1 1 70 PHE HZ 3.532 2.632 6.285 4.505 3.187 6.335 0.050 16 0 "[ . 1 . 2 .]" 1
738 1 33 LEU MD1 1 70 PHE QE 3.466 2.586 8.613 4.700 3.637 6.134 . 0 0 "[ . 1 . 2 .]" 1
739 1 17 ILE MG 1 34 SER HA 2.255 2.010 3.981 3.054 2.091 4.027 0.046 8 0 "[ . 1 . 2 .]" 1
740 1 33 LEU HA 1 34 SER HA 3.050 2.295 5.355 4.449 4.363 4.524 . 0 0 "[ . 1 . 2 .]" 1
741 1 34 SER HA 1 34 SER HB2 2.314 . 3.545 2.731 2.475 3.040 . 0 0 "[ . 1 . 2 .]" 1
742 1 34 SER HA 1 34 SER HB3 2.320 . 3.007 2.621 2.429 3.044 0.037 17 0 "[ . 1 . 2 .]" 1
743 1 35 MET HA 1 35 MET QB 3.217 2.434 4.175 2.206 2.170 2.378 0.264 16 0 "[ . 1 . 2 .]" 1
744 1 35 MET HA 1 39 GLN QB 2.445 . 3.690 3.718 3.194 3.895 0.205 25 0 "[ . 1 . 2 .]" 1
745 1 35 MET HA 1 40 LEU QB 2.616 . 4.878 4.579 4.046 4.731 . 0 0 "[ . 1 . 2 .]" 1
746 1 33 LEU HA 1 40 LEU MD2 2.434 . 5.077 3.564 3.160 3.843 . 0 0 "[ . 1 . 2 .]" 1
747 1 36 ASN HA 1 36 ASN HB2 2.510 . 3.301 2.511 2.482 2.546 . 0 0 "[ . 1 . 2 .]" 1
748 1 36 ASN HA 1 36 ASN HB3 2.244 . 3.468 3.040 3.034 3.045 . 0 0 "[ . 1 . 2 .]" 1
749 1 38 ASN HA 1 38 ASN HB2 2.282 . 3.510 3.027 3.021 3.031 . 0 0 "[ . 1 . 2 .]" 1
750 1 38 ASN HA 1 38 ASN HB3 2.474 2.052 3.721 2.503 2.481 2.528 . 0 0 "[ . 1 . 2 .]" 1
751 1 35 MET QB 1 39 GLN QB 2.280 . 4.508 4.143 3.600 4.368 . 0 0 "[ . 1 . 2 .]" 1
752 1 39 GLN HA 1 39 GLN QG 2.438 . 3.682 2.698 2.316 3.005 . 0 0 "[ . 1 . 2 .]" 1
753 1 39 GLN HA 1 39 GLN QB 2.348 . 3.583 2.401 2.343 2.468 . 0 0 "[ . 1 . 2 .]" 1
754 1 31 LEU HB2 1 33 LEU HA 3.260 2.442 6.886 4.687 3.958 5.153 . 0 0 "[ . 1 . 2 .]" 1
755 1 33 LEU HA 1 40 LEU QB 2.870 2.169 5.557 4.116 3.288 4.643 . 0 0 "[ . 1 . 2 .]" 1
756 1 31 LEU QD 1 33 LEU HG 2.715 2.060 5.387 2.929 1.897 3.645 0.163 17 0 "[ . 1 . 2 .]" 1
757 1 35 MET HA 1 40 LEU HA 2.654 2.140 2.919 2.732 2.217 2.933 0.014 22 0 "[ . 1 . 2 .]" 1
758 1 40 LEU QB 1 40 LEU HG 2.353 . 3.333 2.166 2.163 2.172 . 0 0 "[ . 1 . 2 .]" 1
759 1 40 LEU MD2 1 40 LEU HG 2.729 2.070 5.402 2.114 2.082 2.126 . 0 0 "[ . 1 . 2 .]" 1
760 1 40 LEU HA 1 40 LEU QB 2.713 2.243 3.984 2.273 2.220 2.369 0.023 24 0 "[ . 1 . 2 .]" 1
761 1 40 LEU HA 1 40 LEU HG 2.688 2.042 3.957 3.847 3.806 3.922 . 0 0 "[ . 1 . 2 .]" 1
762 1 40 LEU QB 1 40 LEU MD1 2.027 . 6.272 2.281 2.209 2.353 . 0 0 "[ . 1 . 2 .]" 1
763 1 40 LEU HA 1 40 LEU MD1 1.955 . 5.450 3.296 3.102 3.416 . 0 0 "[ . 1 . 2 .]" 1
764 1 40 LEU HA 1 40 LEU QB 2.811 2.128 4.092 1.962 1.934 2.040 0.194 12 0 "[ . 1 . 2 .]" 1
765 1 40 LEU HA 1 41 LYS HG2 3.013 2.269 4.314 3.203 2.998 3.669 . 0 0 "[ . 1 . 2 .]" 1
766 1 40 LEU MD2 1 83 ILE MD 2.183 . 7.201 4.831 4.395 5.133 . 0 0 "[ . 1 . 2 .]" 1
767 1 40 LEU MD1 1 88 ILE MG 1.873 . 5.960 4.585 4.293 5.007 . 0 0 "[ . 1 . 2 .]" 1
768 1 36 ASN HB2 1 41 LYS QD 2.687 2.041 4.956 3.872 3.411 4.910 . 0 0 "[ . 1 . 2 .]" 1
769 1 36 ASN HB3 1 41 LYS QD 2.752 2.086 5.027 3.783 3.187 4.655 . 0 0 "[ . 1 . 2 .]" 1
770 1 36 ASN HB2 1 41 LYS HG2 2.838 2.147 5.122 3.917 3.296 4.811 . 0 0 "[ . 1 . 2 .]" 1
771 1 36 ASN HB3 1 41 LYS HG2 2.848 2.154 5.133 4.092 3.626 4.790 . 0 0 "[ . 1 . 2 .]" 1
772 1 41 LYS HA 1 41 LYS HB2 2.667 2.027 3.720 3.031 3.019 3.038 . 0 0 "[ . 1 . 2 .]" 1
773 1 41 LYS HA 1 41 LYS HB3 2.426 . 3.669 2.436 2.399 2.479 . 0 0 "[ . 1 . 2 .]" 1
774 1 41 LYS HA 1 41 LYS HG2 2.904 2.198 4.194 3.094 2.911 3.252 . 0 0 "[ . 1 . 2 .]" 1
775 1 41 LYS HB3 1 41 LYS HE2 2.918 2.203 5.210 3.347 2.068 4.744 0.135 21 0 "[ . 1 . 2 .]" 1
776 1 41 LYS HB2 1 41 LYS HE2 3.039 2.287 5.343 4.447 3.694 5.518 0.175 19 0 "[ . 1 . 2 .]" 1
777 1 41 LYS HB3 1 41 LYS HG2 2.545 . 4.554 3.022 3.006 3.029 . 0 0 "[ . 1 . 2 .]" 1
778 1 41 LYS HB2 1 41 LYS HG2 2.255 . 4.481 2.495 2.449 2.594 . 0 0 "[ . 1 . 2 .]" 1
779 1 41 LYS HB3 1 41 LYS HE3 3.025 2.278 5.327 3.474 2.062 4.645 0.216 25 0 "[ . 1 . 2 .]" 1
780 1 41 LYS HB2 1 41 LYS HE3 3.277 2.454 5.605 4.510 3.687 5.050 . 0 0 "[ . 1 . 2 .]" 1
781 1 41 LYS HA 1 41 LYS HG3 2.672 2.030 3.939 3.836 3.764 3.910 . 0 0 "[ . 1 . 2 .]" 1
782 1 41 LYS HE2 1 41 LYS HG2 2.859 2.161 5.145 3.568 2.480 4.260 . 0 0 "[ . 1 . 2 .]" 1
783 1 41 LYS HE2 1 41 LYS HG3 2.827 2.139 5.110 3.188 2.521 3.784 . 0 0 "[ . 1 . 2 .]" 1
784 1 41 LYS HB3 1 41 LYS HG3 2.241 . 4.465 2.504 2.465 2.588 . 0 0 "[ . 1 . 2 .]" 1
785 1 41 LYS HA 1 41 LYS QD 2.908 2.337 4.199 2.266 2.091 3.131 0.246 11 0 "[ . 1 . 2 .]" 1
786 1 41 LYS QD 1 41 LYS HE2 2.352 . 4.587 2.293 2.165 2.385 . 0 0 "[ . 1 . 2 .]" 1
787 1 41 LYS HA 1 41 LYS HE2 3.027 2.279 4.330 3.819 1.533 4.619 0.746 5 1 "[ + 1 . 2 .]" 1
788 1 31 LEU QD 1 42 ALA MB 1.913 . 6.004 2.233 1.867 2.525 0.013 11 0 "[ . 1 . 2 .]" 1
789 1 31 LEU HG 1 42 ALA MB 2.131 . 4.844 4.020 3.584 4.652 . 0 0 "[ . 1 . 2 .]" 1
790 1 31 LEU QD 1 42 ALA HA 2.734 2.074 5.407 3.255 2.936 3.534 . 0 0 "[ . 1 . 2 .]" 1
791 1 42 ALA MB 1 80 SER HB3 . . 4.800 3.869 3.651 4.126 . 0 0 "[ . 1 . 2 .]" 1
792 1 32 SER QB 1 42 ALA HA 2.959 2.231 4.255 4.247 4.146 4.340 0.085 13 0 "[ . 1 . 2 .]" 1
793 1 33 LEU MD1 1 42 ALA HA 2.314 . 4.945 4.812 4.648 5.073 0.128 16 0 "[ . 1 . 2 .]" 1
794 1 33 LEU MD1 1 42 ALA MB 1.963 . 6.059 4.143 3.894 4.924 . 0 0 "[ . 1 . 2 .]" 1
795 1 42 ALA HA 1 42 ALA MB 1.970 . 3.593 2.093 2.074 2.131 . 0 0 "[ . 1 . 2 .]" 1
796 1 42 ALA MB 1 80 SER HB2 2.380 . 5.118 2.952 2.628 3.312 . 0 0 "[ . 1 . 2 .]" 1
797 1 42 ALA MB 1 83 ILE HB 2.745 2.081 4.520 2.062 1.926 2.608 0.155 24 0 "[ . 1 . 2 .]" 1
798 1 32 SER QB 1 43 THR HA 2.555 . 4.810 4.492 4.288 4.755 . 0 0 "[ . 1 . 2 .]" 1
799 1 32 SER QB 1 43 THR HB 3.293 3.114 4.622 3.411 3.161 3.811 . 0 0 "[ . 1 . 2 .]" 1
800 1 32 SER QB 1 43 THR HG1 2.644 2.047 3.908 2.016 1.815 2.220 0.232 20 0 "[ . 1 . 2 .]" 1
801 1 43 THR HA 1 43 THR HG1 2.017 . 4.219 3.468 3.329 3.622 . 0 0 "[ . 1 . 2 .]" 1
802 1 43 THR HA 1 43 THR MG 2.157 . 3.873 2.282 2.148 2.381 . 0 0 "[ . 1 . 2 .]" 1
803 1 43 THR HB 1 43 THR MG 2.067 . 3.774 2.086 2.071 2.117 . 0 0 "[ . 1 . 2 .]" 1
804 1 30 LYS QG 1 44 SER HA . 2.543 4.677 3.629 3.472 3.747 . 0 0 "[ . 1 . 2 .]" 1
805 1 30 LYS QB 1 44 SER HA 3.253 2.437 4.578 4.200 4.026 4.307 . 0 0 "[ . 1 . 2 .]" 1
806 1 31 LEU QD 1 44 SER HA 2.789 2.112 5.449 2.980 2.820 3.273 . 0 0 "[ . 1 . 2 .]" 1
807 1 31 LEU HA 1 44 SER HA 2.111 . 2.322 2.160 2.006 2.339 0.017 17 0 "[ . 1 . 2 .]" 1
808 1 31 LEU HA 1 44 SER HB2 2.965 2.368 3.850 3.967 3.391 4.644 0.794 21 4 "[ . 1 .* -+ *]" 1
809 1 31 LEU QD 1 44 SER HB3 3.144 2.361 6.858 3.271 2.475 4.308 . 0 0 "[ . 1 . 2 .]" 1
810 1 31 LEU QD 1 44 SER HB2 2.964 2.235 5.441 3.759 2.705 4.507 . 0 0 "[ . 1 . 2 .]" 1
811 1 44 SER HA 1 44 SER HB2 2.367 . 3.014 2.529 2.419 3.014 0.000 21 0 "[ . 1 . 2 .]" 1
812 1 44 SER HA 1 45 SER QB 4.199 3.099 5.619 4.185 3.986 4.489 . 0 0 "[ . 1 . 2 .]" 1
813 1 30 LYS QB 1 45 SER QB 2.623 . 3.885 3.364 3.098 3.567 . 0 0 "[ . 1 . 2 .]" 1
814 1 30 LYS HD3 1 45 SER QB 2.812 2.129 5.093 2.402 2.086 2.984 0.043 3 0 "[ . 1 . 2 .]" 1
815 1 30 LYS HE2 1 45 SER QB 3.226 2.418 5.549 4.062 3.662 4.278 . 0 0 "[ . 1 . 2 .]" 1
816 1 30 LYS QG 1 45 SER QB 3.290 2.463 4.869 1.713 1.595 1.829 0.868 17 25 [****************+*****-**] 1
817 1 45 SER HA 1 45 SER QB 2.190 . 3.029 2.354 2.319 2.369 . 0 0 "[ . 1 . 2 .]" 1
818 1 46 ASN HA 1 46 ASN QB 2.304 . 3.439 2.322 2.164 2.405 . 0 0 "[ . 1 . 2 .]" 1
819 1 45 SER HA 1 47 ALA MB 2.772 . 4.549 4.548 4.242 4.656 0.107 24 0 "[ . 1 . 2 .]" 1
820 1 47 ALA HA 1 47 ALA MB 2.000 . 3.677 2.088 2.064 2.114 . 0 0 "[ . 1 . 2 .]" 1
821 1 28 LYS QB 1 49 TYR HB3 2.844 2.416 4.369 3.320 2.516 3.643 . 0 0 "[ . 1 . 2 .]" 1
822 1 28 LYS QB 1 49 TYR HB2 2.235 . 5.458 4.266 3.613 4.408 . 0 0 "[ . 1 . 2 .]" 1
823 1 29 GLY QA 1 49 TYR HB3 3.189 2.392 3.782 3.151 2.973 3.610 . 0 0 "[ . 1 . 2 .]" 1
824 1 29 GLY QA 1 49 TYR HB2 2.557 2.050 3.813 2.446 2.117 2.919 . 0 0 "[ . 1 . 2 .]" 1
825 1 49 TYR HA 1 49 TYR HB2 2.812 2.129 3.508 3.030 3.005 3.039 . 0 0 "[ . 1 . 2 .]" 1
826 1 49 TYR HA 1 49 TYR HB3 2.609 . 3.451 2.522 2.482 2.577 . 0 0 "[ . 1 . 2 .]" 1
827 1 49 TYR HA 1 49 TYR QD 2.621 . 5.283 2.756 2.279 3.178 . 0 0 "[ . 1 . 2 .]" 1
828 1 28 LYS QB 1 50 GLY HA3 3.388 2.532 4.727 4.630 3.691 4.768 0.041 4 0 "[ . 1 . 2 .]" 1
829 1 28 LYS QB 1 50 GLY HA2 3.488 2.602 4.837 4.767 3.796 4.901 0.064 7 0 "[ . 1 . 2 .]" 1
830 1 50 GLY HA3 1 51 ILE MD 2.906 2.194 4.697 4.146 2.946 4.827 0.130 16 0 "[ . 1 . 2 .]" 1
831 1 50 GLY HA2 1 51 ILE MD 2.828 2.140 4.611 4.059 3.776 4.408 . 0 0 "[ . 1 . 2 .]" 1
832 1 50 GLY HA2 1 75 THR HA . . 2.324 2.375 2.081 2.480 0.156 7 0 "[ . 1 . 2 .]" 1
833 1 50 GLY HA3 1 75 THR HA 2.455 . 2.701 2.819 2.566 2.994 0.293 23 0 "[ . 1 . 2 .]" 1
834 1 26 LYS QE 1 51 ILE MG 2.796 2.117 5.576 3.009 2.083 3.878 0.034 3 0 "[ . 1 . 2 .]" 1
835 1 26 LYS QD 1 51 ILE HA 2.785 2.109 4.064 3.545 2.399 4.119 0.055 16 0 "[ . 1 . 2 .]" 1
836 1 51 ILE HA 1 51 ILE HB 3.024 2.277 3.165 2.984 2.941 3.014 . 0 0 "[ . 1 . 2 .]" 1
837 1 51 ILE HA 1 51 ILE QG 2.244 . 3.468 2.915 2.600 3.127 . 0 0 "[ . 1 . 2 .]" 1
838 1 51 ILE HA 1 51 ILE MD 2.628 . 4.339 2.578 1.960 3.583 0.040 18 0 "[ . 1 . 2 .]" 1
839 1 51 ILE HB 1 51 ILE MD 2.451 . 3.821 2.814 2.053 3.224 . 0 0 "[ . 1 . 2 .]" 1
840 1 51 ILE HB 1 51 ILE MG 2.301 . 3.568 2.098 2.071 2.129 . 0 0 "[ . 1 . 2 .]" 1
841 1 51 ILE HA 1 51 ILE MG 2.322 . 3.731 2.286 2.169 2.394 . 0 0 "[ . 1 . 2 .]" 1
842 1 51 ILE HB 1 51 ILE QG 2.624 2.004 3.886 2.252 2.143 2.435 . 0 0 "[ . 1 . 2 .]" 1
843 1 51 ILE MD 1 51 ILE QG 2.114 . 4.825 1.867 1.847 1.892 0.033 19 0 "[ . 1 . 2 .]" 1
844 1 51 ILE QG 1 51 ILE MG 1.973 . 4.670 2.166 2.006 2.308 . 0 0 "[ . 1 . 2 .]" 1
845 1 51 ILE HB 1 52 SER HA 3.012 2.268 4.313 4.333 4.140 4.489 0.176 7 0 "[ . 1 . 2 .]" 1
846 1 28 LYS HG2 1 52 SER HA 2.723 2.066 3.995 2.824 1.784 4.224 0.282 12 0 "[ . 1 . 2 .]" 1
847 1 51 ILE HB 1 51 ILE QG 2.626 . 3.889 2.252 2.143 2.434 . 0 0 "[ . 1 . 2 .]" 1
848 1 51 ILE MD 1 51 ILE QG 1.889 . 4.578 1.865 1.840 1.892 0.040 3 0 "[ . 1 . 2 .]" 1
849 1 28 LYS QB 1 52 SER QB 2.604 . 3.864 2.833 1.853 3.465 0.130 12 0 "[ . 1 . 2 .]" 1
850 1 28 LYS HD3 1 52 SER QB 3.197 2.398 5.517 4.162 3.422 5.230 . 0 0 "[ . 1 . 2 .]" 1
851 1 28 LYS HG2 1 52 SER QB 2.721 2.065 4.993 2.934 2.473 3.482 . 0 0 "[ . 1 . 2 .]" 1
852 1 28 LYS HD3 1 52 SER HA 2.505 . 3.755 3.081 1.731 3.905 0.183 17 0 "[ . 1 . 2 .]" 1
853 1 51 ILE HB 1 52 SER QB 3.042 2.289 4.346 3.599 3.115 3.950 . 0 0 "[ . 1 . 2 .]" 1
854 1 51 ILE HB 1 52 SER QB 2.594 . 3.853 3.569 3.109 3.898 0.045 17 0 "[ . 1 . 2 .]" 1
855 1 51 ILE MG 1 52 SER QB 2.173 . 4.890 3.010 2.477 3.535 . 0 0 "[ . 1 . 2 .]" 1
856 1 51 ILE MG 1 52 SER HA 2.958 2.231 4.754 4.518 4.165 4.864 0.110 14 0 "[ . 1 . 2 .]" 1
857 1 52 SER HA 1 52 SER QB . 2.264 3.208 2.314 2.191 2.432 0.073 1 0 "[ . 1 . 2 .]" 1
858 1 28 LYS QB 1 52 SER HA 2.672 2.030 3.939 2.495 1.921 2.994 0.109 10 0 "[ . 1 . 2 .]" 1
859 1 28 LYS QE 1 53 TYR QB 4.401 3.241 6.841 5.922 4.865 6.330 . 0 0 "[ . 1 . 2 .]" 1
860 1 53 TYR HA 1 53 TYR QB 2.300 . 3.423 2.300 2.145 2.528 . 0 0 "[ . 1 . 2 .]" 1
861 1 53 TYR HA 1 53 TYR QD 2.476 . 5.124 3.140 2.123 3.723 . 0 0 "[ . 1 . 2 .]" 1
862 1 51 ILE QG 1 54 GLU HB3 2.769 2.098 5.046 4.131 3.310 4.988 . 0 0 "[ . 1 . 2 .]" 1
863 1 51 ILE QG 1 54 GLU HB2 2.780 2.106 5.058 3.225 2.049 4.223 0.057 15 0 "[ . 1 . 2 .]" 1
864 1 52 SER QB 1 54 GLU QG 3.009 2.266 5.310 3.376 1.848 4.501 0.418 25 0 "[ . 1 . 2 .]" 1
865 1 53 TYR QB 1 54 GLU HA 3.041 2.289 4.345 4.297 4.149 4.447 0.102 25 0 "[ . 1 . 2 .]" 1
866 1 54 GLU HA 1 54 GLU QB 2.006 . 3.207 2.420 2.382 2.475 . 0 0 "[ . 1 . 2 .]" 1
867 1 54 GLU HA 1 54 GLU QG 2.355 2.067 3.590 2.652 2.355 2.914 . 0 0 "[ . 1 . 2 .]" 1
868 1 54 GLU HA 1 54 GLU HB3 2.415 . 3.289 2.551 2.497 2.639 . 0 0 "[ . 1 . 2 .]" 1
869 1 54 GLU HA 1 54 GLU HB2 2.403 . 3.643 3.011 2.990 3.031 . 0 0 "[ . 1 . 2 .]" 1
870 1 54 GLU HB2 1 54 GLU QG 2.273 . 4.321 2.230 2.139 2.354 . 0 0 "[ . 1 . 2 .]" 1
871 1 54 GLU HB3 1 54 GLU QG 2.417 . 4.659 2.321 2.276 2.366 . 0 0 "[ . 1 . 2 .]" 1
872 1 54 GLU HB2 1 55 ASP HA 3.251 2.436 4.576 3.048 1.811 3.978 0.625 19 1 "[ . 1 . +2 .]" 1
873 1 55 ASP HA 1 55 ASP QB 2.222 . 3.357 2.237 2.143 2.364 . 0 0 "[ . 1 . 2 .]" 1
874 1 55 ASP HA 1 73 LYS QB 2.598 . 3.858 1.938 1.747 2.114 0.232 7 0 "[ . 1 . 2 .]" 1
875 1 55 ASP HA 1 73 LYS QG 3.103 2.332 3.691 1.942 1.750 2.121 0.582 7 2 "[ . + 1 - . 2 .]" 1
876 1 55 ASP QB 1 73 LYS QG 2.655 2.213 4.921 2.752 2.262 3.278 . 0 0 "[ . 1 . 2 .]" 1
877 1 54 GLU QB 1 56 LYS QG 2.652 2.016 4.849 3.871 2.878 4.185 . 0 0 "[ . 1 . 2 .]" 1
878 1 55 ASP QB 1 56 LYS QD 2.891 2.184 5.180 4.044 3.798 4.344 . 0 0 "[ . 1 . 2 .]" 1
879 1 55 ASP HA 1 56 LYS QD 2.395 . 3.634 2.993 2.619 3.465 . 0 0 "[ . 1 . 2 .]" 1
880 1 56 LYS HB3 1 56 LYS QG 2.486 . 4.735 2.174 2.139 2.365 . 0 0 "[ . 1 . 2 .]" 1
881 1 56 LYS HA 1 56 LYS HB3 2.499 . 3.261 2.484 2.214 2.615 . 0 0 "[ . 1 . 2 .]" 1
882 1 56 LYS HA 1 56 LYS HB2 2.608 . 3.295 2.983 2.762 3.019 . 0 0 "[ . 1 . 2 .]" 1
883 1 56 LYS HA 1 56 LYS QG 2.233 2.182 3.456 2.547 2.265 3.441 . 0 0 "[ . 1 . 2 .]" 1
884 1 56 LYS HB2 1 56 LYS QG 2.493 . 4.742 2.347 2.124 2.434 . 0 0 "[ . 1 . 2 .]" 1
885 1 56 LYS HA 1 56 LYS QD 2.945 2.221 4.240 2.992 2.236 3.301 . 0 0 "[ . 1 . 2 .]" 1
886 1 56 LYS QD 1 73 LYS QG 2.280 . 4.508 3.882 3.701 4.174 . 0 0 "[ . 1 . 2 .]" 1
887 1 57 ASN HA 1 57 ASN HB3 2.476 . 3.574 2.525 2.481 2.555 . 0 0 "[ . 1 . 2 .]" 1
888 1 57 ASN HA 1 57 ASN HB2 2.581 . 3.715 3.020 3.012 3.030 . 0 0 "[ . 1 . 2 .]" 1
889 1 57 ASN HB3 1 69 THR MG 2.651 2.016 4.916 3.465 3.066 3.753 . 0 0 "[ . 1 . 2 .]" 1
890 1 57 ASN HB2 1 69 THR MG 2.875 2.570 5.163 4.918 4.497 5.195 0.032 3 0 "[ . 1 . 2 .]" 1
891 1 57 ASN HA 1 58 TRP HB3 3.167 2.377 5.484 5.341 5.247 5.467 . 0 0 "[ . 1 . 2 .]" 1
892 1 57 ASN HA 1 58 TRP HD1 3.035 2.284 5.339 4.407 3.987 4.849 . 0 0 "[ . 1 . 2 .]" 1
893 1 58 TRP HB3 1 58 TRP HD1 2.863 2.164 4.149 3.911 3.880 3.924 . 0 0 "[ . 1 . 2 .]" 1
894 1 58 TRP HB2 1 58 TRP HD1 2.914 2.200 4.205 2.887 2.783 2.999 . 0 0 "[ . 1 . 2 .]" 1
895 1 58 TRP HA 1 58 TRP HB2 2.694 2.046 3.742 2.899 2.866 2.936 . 0 0 "[ . 1 . 2 .]" 1
896 1 58 TRP HA 1 58 TRP HB3 2.901 2.191 3.765 2.785 2.720 2.839 . 0 0 "[ . 1 . 2 .]" 1
897 1 58 TRP HD1 1 72 GLU QG 2.686 2.144 3.955 2.948 2.550 3.372 . 0 0 "[ . 1 . 2 .]" 1
898 1 20 VAL HB 1 95 ILE MG 2.533 . 5.286 4.148 2.720 4.910 . 0 0 "[ . 1 . 2 .]" 1
899 1 58 TRP HH2 1 95 ILE MG 2.512 . 4.263 1.582 1.555 1.609 0.363 8 0 "[ . 1 . 2 .]" 1
900 1 58 TRP HZ2 1 96 LYS HE3 3.440 2.568 4.784 4.992 4.608 5.189 0.405 17 0 "[ . 1 . 2 .]" 1
901 1 58 TRP HB3 1 59 GLY HA2 2.523 . 3.775 3.781 3.649 3.971 0.196 15 0 "[ . 1 . 2 .]" 1
902 1 58 TRP HB3 1 59 GLY HA3 2.649 2.014 4.914 4.671 4.551 4.777 . 0 0 "[ . 1 . 2 .]" 1
903 1 59 GLY HA2 1 61 PHE HZ 2.563 . 4.819 4.859 4.648 4.978 0.159 4 0 "[ . 1 . 2 .]" 1
904 1 59 GLY HA3 1 61 PHE HZ 2.968 2.238 3.265 3.167 2.921 3.433 0.168 15 0 "[ . 1 . 2 .]" 1
905 1 58 TRP HZ3 1 60 ILE HG12 3.262 2.443 4.588 3.477 2.930 3.933 . 0 0 "[ . 1 . 2 .]" 1
906 1 60 ILE HA 1 60 ILE HB . 2.336 3.064 3.050 3.043 3.058 . 0 0 "[ . 1 . 2 .]" 1
907 1 60 ILE HB 1 60 ILE HG12 2.898 2.189 4.188 3.029 3.021 3.037 . 0 0 "[ . 1 . 2 .]" 1
908 1 60 ILE HB 1 60 ILE MG 2.145 . 3.860 2.106 2.081 2.126 . 0 0 "[ . 1 . 2 .]" 1
909 1 60 ILE HA 1 60 ILE HG12 2.510 2.118 3.761 2.643 2.581 2.698 . 0 0 "[ . 1 . 2 .]" 1
910 1 60 ILE HA 1 60 ILE MG 2.438 . 4.155 2.330 2.260 2.410 . 0 0 "[ . 1 . 2 .]" 1
911 1 60 ILE HA 1 60 ILE HG13 2.973 2.241 4.270 3.048 2.923 3.176 . 0 0 "[ . 1 . 2 .]" 1
912 1 60 ILE MD 1 60 ILE HG13 2.278 . 4.699 2.110 2.089 2.129 . 0 0 "[ . 1 . 2 .]" 1
913 1 60 ILE MD 1 60 ILE HG12 2.387 . 5.033 2.105 2.088 2.119 . 0 0 "[ . 1 . 2 .]" 1
914 1 60 ILE HG12 1 60 ILE MG 2.460 . 5.206 2.367 2.280 2.418 . 0 0 "[ . 1 . 2 .]" 1
915 1 60 ILE HA 1 60 ILE MD 2.884 2.179 4.672 3.892 3.865 3.926 . 0 0 "[ . 1 . 2 .]" 1
916 1 60 ILE MD 1 68 TYR HA 2.761 2.093 4.537 4.662 4.614 4.694 0.157 7 0 "[ . 1 . 2 .]" 1
917 1 60 ILE MD 1 68 TYR HB2 2.819 2.133 5.601 3.254 3.147 3.386 . 0 0 "[ . 1 . 2 .]" 1
918 1 60 ILE MD 1 68 TYR HB3 2.558 . 5.314 1.933 1.912 1.959 0.039 12 0 "[ . 1 . 2 .]" 1
919 1 60 ILE MD 1 70 PHE QE 2.475 . 6.622 2.116 1.943 2.373 0.050 3 0 "[ . 1 . 2 .]" 1
920 1 60 ILE MD 1 70 PHE HB2 3.174 2.382 5.991 5.952 5.690 6.096 0.105 7 0 "[ . 1 . 2 .]" 1
921 1 60 ILE MD 1 83 ILE HG12 2.697 2.048 5.467 4.351 3.650 5.505 0.038 13 0 "[ . 1 . 2 .]" 1
922 1 60 ILE MD 1 83 ILE MD 2.227 . 4.950 3.431 2.574 4.018 . 0 0 "[ . 1 . 2 .]" 1
923 1 60 ILE MD 1 83 ILE HG13 2.319 . 5.051 5.250 4.788 5.574 0.523 16 2 "[ . 1 - .+ 2 .]" 1
924 1 60 ILE HA 1 93 ILE HA 3.793 2.815 5.172 5.346 5.240 5.468 0.296 7 0 "[ . 1 . 2 .]" 1
925 1 60 ILE HA 1 95 ILE HG12 2.759 2.527 4.035 3.057 2.904 3.342 . 0 0 "[ . 1 . 2 .]" 1
926 1 60 ILE HA 1 95 ILE MG 2.704 2.053 4.474 3.677 3.049 4.507 0.033 22 0 "[ . 1 . 2 .]" 1
927 1 60 ILE HA 1 95 ILE HG13 2.812 2.128 4.093 4.063 3.813 4.239 0.146 12 0 "[ . 1 . 2 .]" 1
928 1 60 ILE HA 1 95 ILE MD 2.930 2.211 4.723 4.567 4.422 4.820 0.097 19 0 "[ . 1 . 2 .]" 1
929 1 60 ILE MG 1 61 PHE QD 3.497 2.608 7.747 4.592 4.398 4.941 . 0 0 "[ . 1 . 2 .]" 1
930 1 61 PHE HA 1 61 PHE QB 2.644 2.159 3.698 2.327 2.298 2.352 . 0 0 "[ . 1 . 2 .]" 1
931 1 61 PHE HA 1 62 VAL QG 3.329 2.490 4.662 3.847 3.442 4.023 . 0 0 "[ . 1 . 2 .]" 1
932 1 61 PHE HA 1 66 LYS HA 2.304 . 2.443 2.342 2.047 2.510 0.067 16 0 "[ . 1 . 2 .]" 1
933 1 61 PHE HA 1 67 VAL QG 2.740 2.424 4.014 3.355 2.952 3.652 . 0 0 "[ . 1 . 2 .]" 1
934 1 58 TRP HZ2 1 96 LYS HE2 3.306 2.474 7.037 4.185 3.163 4.903 . 0 0 "[ . 1 . 2 .]" 1
935 1 62 VAL HA 1 62 VAL QG 2.208 . 2.992 2.188 2.119 2.469 . 0 0 "[ . 1 . 2 .]" 1
936 1 62 VAL HB 1 62 VAL QG 2.043 . 2.735 1.880 1.860 1.890 0.020 24 0 "[ . 1 . 2 .]" 1
937 1 62 VAL HA 1 62 VAL HB 3.144 2.361 3.365 2.972 2.283 3.037 0.078 24 0 "[ . 1 . 2 .]" 1
938 1 62 VAL QG 1 65 GLU HG2 3.215 2.411 5.536 4.584 3.998 5.469 . 0 0 "[ . 1 . 2 .]" 1
939 1 62 VAL HB 1 67 VAL QG 2.452 . 3.197 2.553 1.909 2.977 . 0 0 "[ . 1 . 2 .]" 1
940 1 62 VAL HB 1 67 VAL QG 2.768 2.097 4.045 2.651 1.910 3.778 0.187 15 0 "[ . 1 . 2 .]" 1
941 1 62 VAL QG 1 93 ILE MD 2.387 . 5.126 3.031 2.413 3.848 . 0 0 "[ . 1 . 2 .]" 1
942 1 62 VAL HA 1 93 ILE MD 3.002 2.261 4.802 4.784 4.416 4.982 0.180 12 0 "[ . 1 . 2 .]" 1
943 1 63 ASN HA 1 63 ASN HB3 2.760 2.092 3.565 2.491 2.473 2.512 . 0 0 "[ . 1 . 2 .]" 1
944 1 63 ASN HA 1 63 ASN HB2 2.578 . 3.836 3.030 3.024 3.035 . 0 0 "[ . 1 . 2 .]" 1
945 1 63 ASN HA 1 92 TYR HB3 3.232 2.422 4.555 3.584 2.729 4.577 0.022 24 0 "[ . 1 . 2 .]" 1
946 1 63 ASN HA 1 92 TYR HB2 3.157 2.370 4.473 2.845 2.446 3.567 . 0 0 "[ . 1 . 2 .]" 1
947 1 65 GLU HA 1 65 GLU HB3 2.312 . 3.543 2.726 2.405 3.032 . 0 0 "[ . 1 . 2 .]" 1
948 1 65 GLU HA 1 65 GLU HG2 2.689 2.066 3.958 3.528 2.588 3.825 . 0 0 "[ . 1 . 2 .]" 1
949 1 65 GLU HB3 1 65 GLU HG2 2.312 . 4.543 2.443 2.389 2.497 . 0 0 "[ . 1 . 2 .]" 1
950 1 65 GLU HB2 1 65 GLU HG2 2.232 . 4.455 2.922 2.442 3.018 . 0 0 "[ . 1 . 2 .]" 1
951 1 65 GLU HA 1 65 GLU HG3 2.656 2.019 3.922 3.267 2.556 3.792 . 0 0 "[ . 1 . 2 .]" 1
952 1 61 PHE QD 1 66 LYS HA 2.983 2.248 5.681 3.291 2.143 3.885 0.105 15 0 "[ . 1 . 2 .]" 1
953 1 61 PHE QE 1 66 LYS HB2 2.877 2.174 6.565 3.065 2.214 5.250 . 0 0 "[ . 1 . 2 .]" 1
954 1 61 PHE QE 1 66 LYS HB3 3.173 2.381 6.890 4.206 3.731 5.057 . 0 0 "[ . 1 . 2 .]" 1
955 1 61 PHE QB 1 66 LYS HA 3.349 2.677 4.684 3.767 3.543 4.162 . 0 0 "[ . 1 . 2 .]" 1
956 1 66 LYS HA 1 66 LYS HG2 2.439 . 3.683 3.043 2.518 3.823 0.140 16 0 "[ . 1 . 2 .]" 1
957 1 66 LYS HA 1 66 LYS HG3 2.592 2.009 3.851 2.723 2.498 3.395 . 0 0 "[ . 1 . 2 .]" 1
958 1 66 LYS HA 1 66 LYS HB2 2.449 2.006 3.694 2.612 2.436 3.041 . 0 0 "[ . 1 . 2 .]" 1
959 1 66 LYS HA 1 66 LYS HB3 2.548 2.118 3.803 2.899 2.412 3.039 . 0 0 "[ . 1 . 2 .]" 1
960 1 66 LYS HB2 1 66 LYS HG2 2.810 2.127 4.764 2.999 2.524 3.025 . 0 0 "[ . 1 . 2 .]" 1
961 1 66 LYS HB3 1 66 LYS HG2 2.771 2.100 4.862 2.430 2.356 2.506 . 0 0 "[ . 1 . 2 .]" 1
962 1 66 LYS HB3 1 66 LYS HG3 2.602 . 4.661 3.003 2.530 3.027 . 0 0 "[ . 1 . 2 .]" 1
963 1 66 LYS HB3 1 66 LYS QE 2.640 2.008 4.654 2.773 1.870 4.103 0.138 20 0 "[ . 1 . 2 .]" 1
964 1 66 LYS HB2 1 66 LYS QE 2.938 2.217 5.036 2.960 1.957 4.209 0.260 25 0 "[ . 1 . 2 .]" 1
965 1 66 LYS HB2 1 66 LYS HG3 2.778 2.105 4.744 2.476 2.370 3.020 . 0 0 "[ . 1 . 2 .]" 1
966 1 66 LYS QE 1 66 LYS HG2 3.044 2.291 5.340 2.769 2.404 3.515 . 0 0 "[ . 1 . 2 .]" 1
967 1 66 LYS QE 1 66 LYS HG3 2.818 2.132 4.889 3.125 2.386 3.523 . 0 0 "[ . 1 . 2 .]" 1
968 1 66 LYS HD3 1 66 LYS HG3 2.364 . 4.600 2.532 2.430 3.025 . 0 0 "[ . 1 . 2 .]" 1
969 1 66 LYS HD3 1 66 LYS HG2 2.323 . 4.555 2.809 2.329 3.028 . 0 0 "[ . 1 . 2 .]" 1
970 1 66 LYS HD2 1 66 LYS QE 2.689 2.042 4.577 2.282 2.162 2.397 . 0 0 "[ . 1 . 2 .]" 1
971 1 66 LYS HD3 1 66 LYS QE 2.676 2.033 4.944 2.314 2.167 2.384 . 0 0 "[ . 1 . 2 .]" 1
972 1 66 LYS HD2 1 66 LYS HG3 2.648 2.013 4.913 2.580 2.375 3.029 . 0 0 "[ . 1 . 2 .]" 1
973 1 66 LYS HD2 1 66 LYS HG2 2.677 2.034 4.945 2.530 2.427 3.019 . 0 0 "[ . 1 . 2 .]" 1
974 1 66 LYS QD 1 66 LYS HG3 2.597 . 4.857 2.247 2.175 2.456 . 0 0 "[ . 1 . 2 .]" 1
975 1 60 ILE HB 1 67 VAL QG 2.729 2.070 4.002 2.413 2.127 2.684 . 0 0 "[ . 1 . 2 .]" 1
976 1 65 GLU HG2 1 67 VAL QG 3.047 2.293 5.352 4.027 2.400 5.036 . 0 0 "[ . 1 . 2 .]" 1
977 1 65 GLU HG3 1 67 VAL QG 2.962 2.233 5.258 3.895 2.345 5.059 . 0 0 "[ . 1 . 2 .]" 1
978 1 67 VAL HB 1 67 VAL QG 2.032 . 2.670 1.876 1.856 1.894 0.024 4 0 "[ . 1 . 2 .]" 1
979 1 67 VAL HA 1 67 VAL QG 2.461 2.078 2.654 2.272 2.163 2.346 . 0 0 "[ . 1 . 2 .]" 1
980 1 60 ILE HB 1 68 TYR HB3 2.609 2.171 3.870 2.755 2.565 3.053 . 0 0 "[ . 1 . 2 .]" 1
981 1 60 ILE HB 1 68 TYR HB2 2.692 2.306 3.961 3.988 3.926 4.051 0.090 18 0 "[ . 1 . 2 .]" 1
982 1 68 TYR HA 1 68 TYR QD 2.238 . 4.862 2.107 2.000 2.237 . 0 0 "[ . 1 . 2 .]" 1
983 1 60 ILE MD 1 68 TYR HB3 2.548 . 4.803 1.915 1.902 1.942 0.042 20 0 "[ . 1 . 2 .]" 1
984 1 60 ILE MD 1 68 TYR HB2 2.438 . 4.682 2.685 2.551 2.860 . 0 0 "[ . 1 . 2 .]" 1
985 1 67 VAL QG 1 68 TYR HB2 2.886 2.180 5.175 2.872 2.659 3.284 . 0 0 "[ . 1 . 2 .]" 1
986 1 68 TYR HA 1 68 TYR HB3 2.941 2.219 3.760 3.023 3.018 3.028 . 0 0 "[ . 1 . 2 .]" 1
987 1 68 TYR HA 1 68 TYR HB2 2.503 . 3.466 2.478 2.448 2.519 . 0 0 "[ . 1 . 2 .]" 1
988 1 68 TYR QE 1 82 ASP HB2 2.948 2.224 6.643 3.690 3.179 4.090 . 0 0 "[ . 1 . 2 .]" 1
989 1 68 TYR HB2 1 86 LEU MD1 3.035 2.284 6.739 2.814 2.081 3.492 0.203 21 0 "[ . 1 . 2 .]" 1
990 1 66 LYS QE 1 69 THR MG 2.887 2.203 5.676 3.593 2.779 4.615 . 0 0 "[ . 1 . 2 .]" 1
991 1 69 THR HB 1 69 THR MG 2.181 . 3.795 2.106 2.074 2.122 . 0 0 "[ . 1 . 2 .]" 1
992 1 69 THR HA 1 69 THR MG 2.279 . 3.944 2.372 2.288 2.493 . 0 0 "[ . 1 . 2 .]" 1
993 1 69 THR HA 1 69 THR HB 2.383 . 2.605 2.943 2.941 2.946 0.341 1 0 "[ . 1 . 2 .]" 1
994 1 68 TYR QE 1 79 ILE MG 2.191 . 6.910 2.463 2.155 2.969 . 0 0 "[ . 1 . 2 .]" 1
995 1 69 THR H 1 70 PHE HA 2.996 2.257 5.296 4.901 4.814 5.015 . 0 0 "[ . 1 . 2 .]" 1
996 1 59 GLY HA2 1 69 THR HA 2.516 . 3.768 2.773 2.501 3.007 . 0 0 "[ . 1 . 2 .]" 1
997 1 68 TYR QD 1 69 THR HA 3.064 2.305 5.770 4.059 3.947 4.147 . 0 0 "[ . 1 . 2 .]" 1
998 1 59 GLY HA2 1 69 THR MG 2.875 2.172 5.663 3.744 3.517 3.926 . 0 0 "[ . 1 . 2 .]" 1
999 1 70 PHE HB3 1 79 ILE MG 2.658 2.331 5.424 2.448 2.236 2.731 0.095 16 0 "[ . 1 . 2 .]" 1
1000 1 70 PHE HB2 1 79 ILE MG 2.539 2.286 5.293 2.216 2.131 2.360 0.155 7 0 "[ . 1 . 2 .]" 1
1001 1 70 PHE HA 1 79 ILE MG 3.239 2.427 5.063 4.007 3.473 4.188 . 0 0 "[ . 1 . 2 .]" 1
1002 1 70 PHE HA 1 79 ILE MD 3.087 2.321 4.896 3.681 3.047 4.133 . 0 0 "[ . 1 . 2 .]" 1
1003 1 70 PHE HA 1 79 ILE QG 2.776 2.103 4.054 4.240 4.088 4.326 0.272 5 0 "[ . 1 . 2 .]" 1
1004 1 69 THR MG 1 71 ASN HB2 3.045 2.292 5.849 5.451 4.286 5.742 . 0 0 "[ . 1 . 2 .]" 1
1005 1 71 ASN HA 1 71 ASN HB2 2.311 . 3.542 2.829 2.480 3.041 . 0 0 "[ . 1 . 2 .]" 1
1006 1 71 ASN HA 1 71 ASN HB3 2.600 . 3.741 2.470 2.380 3.028 . 0 0 "[ . 1 . 2 .]" 1
1007 1 71 ASN HB3 1 73 LYS QB 3.230 2.421 5.553 3.317 2.388 4.489 0.033 13 0 "[ . 1 . 2 .]" 1
1008 1 71 ASN HB2 1 73 LYS QB 3.235 2.425 4.558 2.876 2.381 4.073 0.044 22 0 "[ . 1 . 2 .]" 1
1009 1 51 ILE HB 1 72 GLU QB 2.516 . 3.768 3.661 3.269 3.987 0.219 21 0 "[ . 1 . 2 .]" 1
1010 1 51 ILE MG 1 72 GLU QB 2.377 . 5.115 3.615 2.608 4.074 . 0 0 "[ . 1 . 2 .]" 1
1011 1 51 ILE MG 1 72 GLU QG 2.933 2.213 5.726 4.241 2.928 5.131 . 0 0 "[ . 1 . 2 .]" 1
1012 1 51 ILE MD 1 72 GLU HA 2.195 . 3.915 3.855 3.368 4.066 0.151 24 0 "[ . 1 . 2 .]" 1
1013 1 51 ILE MD 1 72 GLU QG 2.788 2.112 5.567 3.087 1.672 4.363 0.440 24 0 "[ . 1 . 2 .]" 1
1014 1 51 ILE MD 1 72 GLU QB 2.688 2.042 5.457 2.304 1.983 2.765 0.059 9 0 "[ . 1 . 2 .]" 1
1015 1 56 LYS HB2 1 72 GLU QG 2.916 2.201 4.850 1.911 1.801 2.240 0.400 16 0 "[ . 1 . 2 .]" 1
1016 1 56 LYS HB3 1 72 GLU QG 2.672 2.285 4.939 2.472 2.087 3.483 0.198 18 0 "[ . 1 . 2 .]" 1
1017 1 56 LYS HB3 1 72 GLU QB 2.905 2.193 5.196 3.580 2.917 4.026 . 0 0 "[ . 1 . 2 .]" 1
1018 1 56 LYS HB2 1 72 GLU QB 2.862 2.163 4.148 2.155 1.702 3.001 0.461 18 0 "[ . 1 . 2 .]" 1
1019 1 56 LYS HA 1 72 GLU QG 3.028 2.280 4.331 4.375 4.263 4.569 0.238 21 0 "[ . 1 . 2 .]" 1
1020 1 56 LYS QG 1 72 GLU QG 2.783 2.108 4.061 2.474 2.032 3.002 0.076 8 0 "[ . 1 . 2 .]" 1
1021 1 72 GLU HA 1 72 GLU QG 2.694 2.084 3.714 2.853 2.418 3.092 . 0 0 "[ . 1 . 2 .]" 1
1022 1 72 GLU HA 1 72 GLU QB 2.311 . 3.542 2.320 2.262 2.400 . 0 0 "[ . 1 . 2 .]" 1
1023 1 72 GLU QB 1 72 GLU QG 2.184 . 4.317 2.019 1.974 2.094 . 0 0 "[ . 1 . 2 .]" 1
1024 1 72 GLU HA 1 73 LYS QB 3.296 2.467 4.626 4.519 4.427 4.603 . 0 0 "[ . 1 . 2 .]" 1
1025 1 55 ASP QB 1 73 LYS QB 2.690 2.137 4.959 4.322 3.995 4.543 . 0 0 "[ . 1 . 2 .]" 1
1026 1 73 LYS HA 1 73 LYS HD2 2.291 . 4.891 4.720 4.282 4.974 0.083 14 0 "[ . 1 . 2 .]" 1
1027 1 73 LYS HA 1 73 LYS QB 2.210 2.119 3.431 2.328 2.313 2.345 . 0 0 "[ . 1 . 2 .]" 1
1028 1 73 LYS HA 1 73 LYS QG 2.290 2.075 3.519 2.532 2.498 2.601 . 0 0 "[ . 1 . 2 .]" 1
1029 1 73 LYS QB 1 73 LYS QG 2.475 . 4.672 2.082 2.062 2.093 . 0 0 "[ . 1 . 2 .]" 1
1030 1 70 PHE HB2 1 74 SER HB3 3.035 2.284 4.339 3.900 3.327 4.683 0.344 4 0 "[ . 1 . 2 .]" 1
1031 1 73 LYS QB 1 74 SER HA 2.630 2.001 3.893 3.860 3.706 3.993 0.100 18 0 "[ . 1 . 2 .]" 1
1032 1 73 LYS QB 1 74 SER HB2 2.874 2.172 4.161 3.939 3.718 4.146 . 0 0 "[ . 1 . 2 .]" 1
1033 1 73 LYS QB 1 74 SER HB3 2.642 2.009 4.906 4.611 4.339 4.997 0.091 7 0 "[ . 1 . 2 .]" 1
1034 1 74 SER HA 1 74 SER HB3 2.232 2.070 3.455 2.861 2.415 3.031 . 0 0 "[ . 1 . 2 .]" 1
1035 1 74 SER HA 1 74 SER HB2 2.222 . 3.310 2.646 2.470 3.029 . 0 0 "[ . 1 . 2 .]" 1
1036 1 74 SER HA 1 79 ILE MD 2.963 2.234 4.684 4.482 4.300 4.652 . 0 0 "[ . 1 . 2 .]" 1
1037 1 74 SER HB2 1 79 ILE MD 2.186 . 4.905 3.487 2.400 4.140 . 0 0 "[ . 1 . 2 .]" 1
1038 1 74 SER HB3 1 79 ILE MD 2.454 2.180 5.199 2.511 2.183 3.512 . 0 0 "[ . 1 . 2 .]" 1
1039 1 74 SER HA 1 79 ILE QG 3.261 2.443 4.587 4.144 4.030 4.236 . 0 0 "[ . 1 . 2 .]" 1
1040 1 74 SER HB2 1 79 ILE QG 3.007 2.265 5.308 3.338 2.381 3.865 . 0 0 "[ . 1 . 2 .]" 1
1041 1 74 SER HB3 1 79 ILE QG 2.618 . 4.880 2.406 2.113 2.918 . 0 0 "[ . 1 . 2 .]" 1
1042 1 48 GLY HA2 1 75 THR MG 2.872 2.170 4.659 3.954 3.258 4.505 . 0 0 "[ . 1 . 2 .]" 1
1043 1 48 GLY HA3 1 75 THR MG 2.740 2.078 4.514 4.248 3.726 4.707 0.193 1 0 "[ . 1 . 2 .]" 1
1044 1 48 GLY HA3 1 75 THR HB 3.286 2.460 3.615 3.960 3.649 4.535 0.920 6 9 "[* * .+* 1*- *. * *]" 1
1045 1 48 GLY HA3 1 75 THR MG 2.554 . 4.309 4.106 3.678 4.488 0.179 1 0 "[ . 1 . 2 .]" 1
1046 1 49 TYR HA 1 75 THR MG 2.551 . 4.194 2.542 2.077 2.998 . 0 0 "[ . 1 . 2 .]" 1
1047 1 49 TYR HB3 1 75 THR MG 3.134 2.354 5.947 4.538 4.195 4.837 . 0 0 "[ . 1 . 2 .]" 1
1048 1 49 TYR HB2 1 75 THR MG 2.545 . 5.299 5.040 4.692 5.329 0.030 14 0 "[ . 1 . 2 .]" 1
1049 1 50 GLY HA3 1 75 THR MG 3.153 2.367 4.968 3.240 2.873 3.663 . 0 0 "[ . 1 . 2 .]" 1
1050 1 50 GLY HA2 1 75 THR MG 3.101 2.331 4.661 3.694 3.339 4.023 . 0 0 "[ . 1 . 2 .]" 1
1051 1 75 THR HA 1 75 THR HB 2.004 . 2.204 2.437 2.415 2.455 0.251 9 0 "[ . 1 . 2 .]" 1
1052 1 75 THR HA 1 75 THR MG 2.030 . 3.713 2.293 2.244 2.374 . 0 0 "[ . 1 . 2 .]" 1
1053 1 75 THR HB 1 75 THR MG 1.948 . 3.507 2.083 2.072 2.098 . 0 0 "[ . 1 . 2 .]" 1
1054 1 75 THR HA 1 76 VAL MG2 2.841 2.149 4.125 3.349 3.227 3.409 . 0 0 "[ . 1 . 2 .]" 1
1055 1 24 LEU HA 1 76 VAL MG1 2.537 . 4.791 3.840 3.216 4.476 . 0 0 "[ . 1 . 2 .]" 1
1056 1 29 GLY QA 1 76 VAL MG2 2.493 2.040 3.427 2.639 2.382 2.824 . 0 0 "[ . 1 . 2 .]" 1
1057 1 29 GLY QA 1 76 VAL MG1 2.203 . 5.423 4.957 4.508 5.124 . 0 0 "[ . 1 . 2 .]" 1
1058 1 31 LEU QD 1 76 VAL HB 2.705 2.054 4.972 3.216 2.927 3.488 . 0 0 "[ . 1 . 2 .]" 1
1059 1 31 LEU HA 1 76 VAL MG1 2.799 2.119 4.079 3.561 3.113 3.726 . 0 0 "[ . 1 . 2 .]" 1
1060 1 31 LEU QD 1 76 VAL MG1 2.555 . 6.211 2.075 1.908 2.224 0.052 25 0 "[ . 1 . 2 .]" 1
1061 1 31 LEU HG 1 76 VAL MG1 2.860 2.162 4.146 3.728 2.432 3.957 . 0 0 "[ . 1 . 2 .]" 1
1062 1 31 LEU HA 1 76 VAL HB 2.889 2.182 3.178 3.457 3.370 3.612 0.434 21 0 "[ . 1 . 2 .]" 1
1063 1 31 LEU HB2 1 76 VAL HB 3.038 2.287 4.342 2.342 2.174 3.010 0.113 10 0 "[ . 1 . 2 .]" 1
1064 1 31 LEU HB3 1 76 VAL HB 3.401 2.541 4.741 3.913 3.523 4.763 0.022 17 0 "[ . 1 . 2 .]" 1
1065 1 31 LEU QD 1 76 VAL HA 2.617 . 5.279 3.749 3.561 4.047 . 0 0 "[ . 1 . 2 .]" 1
1066 1 31 LEU QD 1 76 VAL MG2 2.856 2.159 6.542 3.928 3.725 4.196 . 0 0 "[ . 1 . 2 .]" 1
1067 1 44 SER HB2 1 76 VAL HB 2.564 2.083 3.820 2.994 2.282 3.868 0.048 16 0 "[ . 1 . 2 .]" 1
1068 1 44 SER HB2 1 76 VAL MG2 2.397 2.317 4.637 3.915 2.993 4.969 0.332 16 0 "[ . 1 . 2 .]" 1
1069 1 44 SER HB2 1 76 VAL MG1 1.922 . 4.114 4.386 3.539 4.917 0.803 16 11 "[*- .* 1** **+ ** *]" 1
1070 1 44 SER HA 1 76 VAL HB 3.009 2.266 3.310 3.648 3.506 3.765 0.455 16 0 "[ . 1 . 2 .]" 1
1071 1 44 SER HB3 1 76 VAL HB 2.829 2.140 4.112 3.058 2.339 4.121 0.009 23 0 "[ . 1 . 2 .]" 1
1072 1 31 LEU HB2 1 44 SER HA 2.924 2.207 4.216 3.632 3.443 3.943 . 0 0 "[ . 1 . 2 .]" 1
1073 1 44 SER HB3 1 76 VAL MG2 3.238 2.427 5.562 4.263 3.351 5.046 . 0 0 "[ . 1 . 2 .]" 1
1074 1 72 GLU HA 1 76 VAL MG2 2.438 . 3.682 3.515 3.095 3.773 0.091 18 0 "[ . 1 . 2 .]" 1
1075 1 72 GLU HA 1 76 VAL MG1 2.843 2.150 4.127 3.437 3.032 4.069 . 0 0 "[ . 1 . 2 .]" 1
1076 1 72 GLU QG 1 76 VAL MG1 2.717 2.175 4.989 4.119 3.293 4.532 . 0 0 "[ . 1 . 2 .]" 1
1077 1 72 GLU QG 1 76 VAL MG2 2.831 2.226 5.114 4.523 3.818 4.749 . 0 0 "[ . 1 . 2 .]" 1
1078 1 72 GLU QB 1 76 VAL MG1 2.835 2.144 5.119 4.178 3.663 4.651 . 0 0 "[ . 1 . 2 .]" 1
1079 1 72 GLU QB 1 76 VAL MG2 2.763 2.094 5.039 3.688 3.305 3.941 . 0 0 "[ . 1 . 2 .]" 1
1080 1 76 VAL HA 1 76 VAL HB 2.301 . 2.531 2.825 2.695 2.897 0.366 17 0 "[ . 1 . 2 .]" 1
1081 1 76 VAL HB 1 76 VAL MG1 2.186 . 3.056 2.113 2.088 2.139 . 0 0 "[ . 1 . 2 .]" 1
1082 1 76 VAL HB 1 76 VAL MG2 2.082 . 2.565 2.152 2.122 2.169 . 0 0 "[ . 1 . 2 .]" 1
1083 1 76 VAL HA 1 76 VAL MG2 1.918 . 4.610 2.957 2.823 3.091 . 0 0 "[ . 1 . 2 .]" 1
1084 1 76 VAL HA 1 76 VAL MG1 1.800 . 2.975 1.978 1.846 2.141 . 0 0 "[ . 1 . 2 .]" 1
1085 1 76 VAL HA 1 79 ILE MG 2.830 2.141 4.113 3.413 3.298 3.544 . 0 0 "[ . 1 . 2 .]" 1
1086 1 76 VAL HA 1 79 ILE MD 2.140 . 4.854 3.370 1.928 4.900 0.046 24 0 "[ . 1 . 2 .]" 1
1087 1 31 LEU HB2 1 76 VAL MG2 2.010 . 4.211 3.315 3.062 3.658 . 0 0 "[ . 1 . 2 .]" 1
1088 1 76 VAL MG1 1 79 ILE QG 3.166 2.376 5.483 3.810 3.480 4.315 . 0 0 "[ . 1 . 2 .]" 1
1089 1 70 PHE HB2 1 74 SER HB2 3.229 2.420 4.552 4.566 3.705 5.204 0.652 9 2 "[ . +1- . 2 .]" 1
1090 1 78 ASN HA 1 78 ASN HB3 2.363 . 3.599 2.780 2.474 3.047 . 0 0 "[ . 1 . 2 .]" 1
1091 1 78 ASN HB2 1 79 ILE QG 2.974 2.242 5.239 4.359 3.390 5.184 . 0 0 "[ . 1 . 2 .]" 1
1092 1 70 PHE HB3 1 79 ILE MD 2.716 2.399 5.488 3.458 2.786 4.064 . 0 0 "[ . 1 . 2 .]" 1
1093 1 70 PHE HB2 1 79 ILE MD 2.362 2.349 5.098 2.500 2.278 3.097 0.071 12 0 "[ . 1 . 2 .]" 1
1094 1 70 PHE HB2 1 79 ILE QG 3.158 2.371 5.378 2.564 2.289 2.817 0.082 6 0 "[ . 1 . 2 .]" 1
1095 1 70 PHE HB3 1 79 ILE QG 3.419 2.553 5.526 3.890 3.649 4.061 . 0 0 "[ . 1 . 2 .]" 1
1096 1 76 VAL HA 1 79 ILE HB 2.328 . 2.561 2.169 1.977 2.420 0.003 1 0 "[ . 1 . 2 .]" 1
1097 1 79 ILE HA 1 79 ILE MG 2.161 . 3.877 2.462 2.359 2.574 . 0 0 "[ . 1 . 2 .]" 1
1098 1 79 ILE HA 1 79 ILE MD 2.700 2.050 4.441 2.975 2.021 3.864 0.029 6 0 "[ . 1 . 2 .]" 1
1099 1 79 ILE HA 1 79 ILE QG 2.346 2.113 3.359 2.626 2.453 2.847 . 0 0 "[ . 1 . 2 .]" 1
1100 1 79 ILE HA 1 79 ILE HB 2.539 2.275 2.793 2.978 2.949 2.997 0.204 17 0 "[ . 1 . 2 .]" 1
1101 1 79 ILE HB 1 79 ILE MG 2.256 . 3.649 2.113 2.098 2.127 . 0 0 "[ . 1 . 2 .]" 1
1102 1 79 ILE HB 1 79 ILE MD 2.472 . 3.852 2.779 2.334 3.218 . 0 0 "[ . 1 . 2 .]" 1
1103 1 79 ILE HB 1 79 ILE QG 2.623 2.004 3.445 2.288 2.193 2.376 . 0 0 "[ . 1 . 2 .]" 1
1104 1 79 ILE QG 1 79 ILE MG 2.655 2.051 4.864 2.369 2.300 2.418 . 0 0 "[ . 1 . 2 .]" 1
1105 1 79 ILE MD 1 79 ILE QG 2.335 . 4.572 1.852 1.843 1.878 0.037 1 0 "[ . 1 . 2 .]" 1
1106 1 79 ILE MD 1 79 ILE MG 1.963 . 5.078 1.859 1.845 1.871 0.035 19 0 "[ . 1 . 2 .]" 1
1107 1 79 ILE HB 1 80 SER HB2 3.362 2.513 4.698 4.312 4.108 4.550 . 0 0 "[ . 1 . 2 .]" 1
1108 1 79 ILE HB 1 80 SER HB3 3.419 2.553 4.761 4.765 4.592 4.886 0.125 6 0 "[ . 1 . 2 .]" 1
1109 1 79 ILE MD 1 83 ILE MD . 2.180 4.675 4.281 3.783 4.763 0.088 16 0 "[ . 1 . 2 .]" 1
1110 1 79 ILE QG 1 83 ILE MD 2.058 . 4.764 4.612 4.323 4.782 0.018 2 0 "[ . 1 . 2 .]" 1
1111 1 79 ILE HA 1 83 ILE MD 3.220 2.414 5.042 4.635 4.410 4.804 . 0 0 "[ . 1 . 2 .]" 1
1112 1 79 ILE MG 1 80 SER QB 2.652 2.016 5.417 3.917 3.706 4.076 . 0 0 "[ . 1 . 2 .]" 1
1113 1 80 SER HB2 1 83 ILE MD 2.387 . 5.126 3.360 2.626 4.886 . 0 0 "[ . 1 . 2 .]" 1
1114 1 31 LEU HG 1 80 SER HB3 3.410 2.547 6.251 4.485 3.941 5.410 . 0 0 "[ . 1 . 2 .]" 1
1115 1 81 ASN HA 1 81 ASN HB2 2.259 . 3.185 3.030 3.022 3.036 . 0 0 "[ . 1 . 2 .]" 1
1116 1 84 ASN HB2 1 85 LYS QD 2.228 . 4.451 3.071 2.736 3.666 . 0 0 "[ . 1 . 2 .]" 1
1117 1 68 TYR QE 1 82 ASP HB3 2.847 2.153 6.532 3.634 3.232 4.030 . 0 0 "[ . 1 . 2 .]" 1
1118 1 79 ILE HA 1 82 ASP HB3 3.049 2.294 4.202 4.308 4.173 4.382 0.180 17 0 "[ . 1 . 2 .]" 1
1119 1 79 ILE HA 1 82 ASP HB2 2.831 2.142 3.725 2.648 2.517 2.741 . 0 0 "[ . 1 . 2 .]" 1
1120 1 80 SER HA 1 82 ASP HA 1.971 . 5.471 5.663 5.563 5.747 0.276 9 0 "[ . 1 . 2 .]" 1
1121 1 82 ASP HA 1 82 ASP HB2 2.532 . 3.785 3.011 2.993 3.024 . 0 0 "[ . 1 . 2 .]" 1
1122 1 82 ASP HA 1 82 ASP HB3 2.364 . 3.534 2.558 2.520 2.596 . 0 0 "[ . 1 . 2 .]" 1
1123 1 82 ASP HA 1 85 LYS QD 2.454 . 3.699 1.695 1.183 3.464 0.817 19 19 "[ ** *** 1****-** +******]" 1
1124 1 82 ASP HB3 1 86 LEU MD1 3.191 2.394 6.910 4.773 4.627 4.951 . 0 0 "[ . 1 . 2 .]" 1
1125 1 40 LEU MD2 1 83 ILE HB 2.556 . 5.212 5.268 4.847 5.380 0.168 19 0 "[ . 1 . 2 .]" 1
1126 1 40 LEU MD1 1 83 ILE HG13 2.835 2.145 6.518 5.161 4.461 5.604 . 0 0 "[ . 1 . 2 .]" 1
1127 1 40 LEU MD1 1 83 ILE HG12 2.883 2.178 6.571 4.958 4.626 5.446 . 0 0 "[ . 1 . 2 .]" 1
1128 1 40 LEU QB 1 41 LYS HG2 2.754 2.088 5.029 4.702 4.620 4.815 . 0 0 "[ . 1 . 2 .]" 1
1129 1 40 LEU HG 1 83 ILE MG 2.569 . 4.326 3.475 2.879 3.959 . 0 0 "[ . 1 . 2 .]" 1
1130 1 40 LEU MD1 1 83 ILE HB 1.927 . 4.520 3.618 3.171 3.955 . 0 0 "[ . 1 . 2 .]" 1
1131 1 40 LEU MD1 1 83 ILE MG 2.355 . 6.490 1.840 1.719 2.063 0.161 21 0 "[ . 1 . 2 .]" 1
1132 1 40 LEU MD2 1 83 ILE MG 2.048 . 6.153 3.094 2.743 3.276 . 0 0 "[ . 1 . 2 .]" 1
1133 1 40 LEU QB 1 89 LYS HG3 2.804 2.123 4.084 3.227 2.148 4.838 0.754 10 2 "[ . + . 2 -]" 1
1134 1 41 LYS HA 1 83 ILE MG 3.175 2.382 4.993 5.048 4.130 5.264 0.271 23 0 "[ . 1 . 2 .]" 1
1135 1 42 ALA MB 1 83 ILE HG12 2.700 2.050 5.470 3.979 3.533 4.368 . 0 0 "[ . 1 . 2 .]" 1
1136 1 68 TYR QD 1 83 ILE HG13 3.404 2.543 7.144 5.189 4.539 5.675 . 0 0 "[ . 1 . 2 .]" 1
1137 1 68 TYR QE 1 83 ILE HG12 3.110 2.337 6.821 2.964 2.279 4.222 0.058 18 0 "[ . 1 . 2 .]" 1
1138 1 79 ILE MG 1 83 ILE HG12 2.683 2.038 5.451 2.810 2.445 3.154 . 0 0 "[ . 1 . 2 .]" 1
1139 1 79 ILE MG 1 83 ILE MD 2.043 . 5.247 2.048 1.855 2.390 0.025 20 0 "[ . 1 . 2 .]" 1
1140 1 80 SER QB 1 83 ILE HB 2.509 . 3.760 3.940 3.857 4.005 0.245 6 0 "[ . 1 . 2 .]" 1
1141 1 80 SER HB3 1 83 ILE MG 2.749 2.084 6.524 6.013 5.816 6.266 . 0 0 "[ . 1 . 2 .]" 1
1142 1 83 ILE HA 1 83 ILE HG12 2.710 2.057 3.887 2.730 2.510 3.179 . 0 0 "[ . 1 . 2 .]" 1
1143 1 83 ILE HA 1 83 ILE HB 2.989 2.252 3.288 3.046 3.036 3.057 . 0 0 "[ . 1 . 2 .]" 1
1144 1 83 ILE HA 1 83 ILE MG 2.518 . 3.931 2.353 2.232 2.431 . 0 0 "[ . 1 . 2 .]" 1
1145 1 83 ILE HA 1 83 ILE HG13 2.597 2.035 3.857 3.313 3.047 3.873 0.016 1 0 "[ . 1 . 2 .]" 1
1146 1 83 ILE HB 1 83 ILE MG 2.233 . 3.551 2.131 2.097 2.145 . 0 0 "[ . 1 . 2 .]" 1
1147 1 83 ILE HB 1 83 ILE MD 2.400 . 3.825 2.633 2.329 3.242 . 0 0 "[ . 1 . 2 .]" 1
1148 1 83 ILE HB 1 83 ILE HG13 2.501 . 3.751 2.471 2.413 2.515 . 0 0 "[ . 1 . 2 .]" 1
1149 1 83 ILE HG12 1 83 ILE MG 2.648 2.014 5.413 2.504 2.193 3.188 . 0 0 "[ . 1 . 2 .]" 1
1150 1 83 ILE MD 1 83 ILE HG12 2.210 . 4.931 2.107 2.070 2.119 . 0 0 "[ . 1 . 2 .]" 1
1151 1 83 ILE MD 1 83 ILE HG13 2.212 2.002 4.933 2.115 2.080 2.125 . 0 0 "[ . 1 . 2 .]" 1
1152 1 83 ILE HG13 1 83 ILE MG 2.627 . 5.390 2.964 2.377 3.193 . 0 0 "[ . 1 . 2 .]" 1
1153 1 83 ILE HA 1 83 ILE MD 2.503 . 4.253 3.366 2.060 3.867 . 0 0 "[ . 1 . 2 .]" 1
1154 1 83 ILE MD 1 83 ILE MG 2.231 . 5.454 2.003 1.826 2.159 0.054 25 0 "[ . 1 . 2 .]" 1
1155 1 83 ILE HA 1 86 LEU MD1 3.096 2.327 5.712 4.976 4.835 5.271 . 0 0 "[ . 1 . 2 .]" 1
1156 1 83 ILE MG 1 88 ILE MD 2.057 . 5.263 3.393 1.863 4.979 0.017 19 0 "[ . 1 . 2 .]" 1
1157 1 83 ILE MG 1 84 ASN HA 2.782 2.139 4.560 3.983 3.732 4.244 . 0 0 "[ . 1 . 2 .]" 1
1158 1 84 ASN HA 1 84 ASN HB3 2.255 . 3.480 2.518 2.490 2.544 . 0 0 "[ . 1 . 2 .]" 1
1159 1 84 ASN HA 1 84 ASN HB2 2.432 . 3.374 3.013 3.002 3.021 . 0 0 "[ . 1 . 2 .]" 1
1160 1 68 TYR HA 1 86 LEU HG 2.919 2.203 5.211 4.994 4.202 5.272 0.061 8 0 "[ . 1 . 2 .]" 1
1161 1 82 ASP HA 1 85 LYS HB3 2.202 . 4.422 4.498 4.141 4.655 0.233 15 0 "[ . 1 . 2 .]" 1
1162 1 83 ILE HA 1 85 LYS HG2 2.966 2.307 4.263 4.423 4.377 4.521 0.258 9 0 "[ . 1 . 2 .]" 1
1163 1 85 LYS HA 1 85 LYS HB3 2.322 . 3.128 2.315 2.227 2.358 . 0 0 "[ . 1 . 2 .]" 1
1164 1 85 LYS HB3 1 85 LYS HG2 2.566 . 4.823 2.958 2.907 3.007 . 0 0 "[ . 1 . 2 .]" 1
1165 1 85 LYS HA 1 85 LYS HG2 2.893 2.185 3.576 3.621 3.524 3.657 0.081 1 0 "[ . 1 . 2 .]" 1
1166 1 85 LYS HB2 1 85 LYS QD 1.800 . 3.972 3.435 3.214 3.501 . 0 0 "[ . 1 . 2 .]" 1
1167 1 85 LYS HB3 1 85 LYS QD 2.325 . 4.558 2.539 2.114 2.919 . 0 0 "[ . 1 . 2 .]" 1
1168 1 85 LYS HA 1 85 LYS QD 2.717 2.062 3.666 3.442 2.282 3.782 0.116 20 0 "[ . 1 . 2 .]" 1
1169 1 68 TYR HB2 1 86 LEU HG 2.428 . 3.671 3.410 2.827 3.731 0.060 7 0 "[ . 1 . 2 .]" 1
1170 1 68 TYR QE 1 86 LEU HG 3.129 2.350 5.842 3.660 3.201 4.103 . 0 0 "[ . 1 . 2 .]" 1
1171 1 68 TYR QD 1 86 LEU HG 2.500 . 5.150 3.308 2.890 3.748 . 0 0 "[ . 1 . 2 .]" 1
1172 1 68 TYR QD 1 86 LEU MD1 2.941 2.219 8.035 3.054 2.654 3.716 . 0 0 "[ . 1 . 2 .]" 1
1173 1 82 ASP HB3 1 86 LEU HG 2.500 . 3.750 3.859 3.785 3.969 0.219 4 0 "[ . 1 . 2 .]" 1
1174 1 83 ILE HA 1 86 LEU HB3 3.179 2.385 4.256 3.961 3.816 4.274 0.018 9 0 "[ . 1 . 2 .]" 1
1175 1 83 ILE HA 1 86 LEU HB2 3.062 2.304 4.368 2.397 2.272 2.645 0.032 21 0 "[ . 1 . 2 .]" 1
1176 1 83 ILE HA 1 86 LEU HG 2.438 . 4.682 3.854 3.607 4.329 . 0 0 "[ . 1 . 2 .]" 1
1177 1 86 LEU HA 1 86 LEU HG 2.943 2.220 3.237 3.622 3.601 3.652 0.415 8 0 "[ . 1 . 2 .]" 1
1178 1 86 LEU HA 1 86 LEU MD1 2.012 . 5.364 2.114 1.871 2.355 0.009 25 0 "[ . 1 . 2 .]" 1
1179 1 86 LEU HA 1 86 LEU HB2 2.257 . 3.483 2.967 2.957 2.981 . 0 0 "[ . 1 . 2 .]" 1
1180 1 86 LEU HA 1 86 LEU HB3 . 2.256 3.383 2.576 2.548 2.592 . 0 0 "[ . 1 . 2 .]" 1
1181 1 86 LEU HB2 1 86 LEU MD1 2.392 . 6.871 3.184 3.163 3.197 . 0 0 "[ . 1 . 2 .]" 1
1182 1 86 LEU HB2 1 86 LEU HG 2.511 . 3.504 2.361 2.330 2.391 . 0 0 "[ . 1 . 2 .]" 1
1183 1 86 LEU HB3 1 86 LEU HG 2.854 2.158 2.996 2.474 2.424 2.529 . 0 0 "[ . 1 . 2 .]" 1
1184 1 86 LEU HB3 1 86 LEU MD1 2.806 2.124 6.315 2.242 2.116 2.383 0.008 5 0 "[ . 1 . 2 .]" 1
1185 1 86 LEU MD1 1 86 LEU HG 1.925 . 5.417 2.097 2.073 2.121 . 0 0 "[ . 1 . 2 .]" 1
1186 1 40 LEU MD2 1 87 ASN HB2 3.201 2.401 6.921 6.542 5.877 6.874 . 0 0 "[ . 1 . 2 .]" 1
1187 1 40 LEU MD2 1 87 ASN HB3 3.096 2.327 6.806 6.578 5.110 6.898 0.092 14 0 "[ . 1 . 2 .]" 1
1188 1 87 ASN HA 1 87 ASN HB2 2.268 . 3.449 2.546 2.474 3.011 . 0 0 "[ . 1 . 2 .]" 1
1189 1 40 LEU HG 1 88 ILE HA 2.324 . 3.556 3.765 3.671 3.837 0.281 12 0 "[ . 1 . 2 .]" 1
1190 1 40 LEU HG 1 88 ILE HB 2.108 . 4.319 2.451 1.808 3.249 0.072 19 0 "[ . 1 . 2 .]" 1
1191 1 40 LEU MD1 1 88 ILE HG12 2.910 2.197 6.601 2.058 1.358 3.088 0.839 12 5 "[ . * 1*+ . * 2- .]" 1
1192 1 83 ILE MG 1 88 ILE HG12 2.397 . 5.137 3.892 2.248 5.749 0.612 11 1 "[ . 1+ . 2 .]" 1
1193 1 88 ILE HA 1 88 ILE HB 2.646 2.276 2.911 3.005 2.996 3.009 0.098 25 0 "[ . 1 . 2 .]" 1
1194 1 88 ILE HA 1 88 ILE HG12 2.632 2.049 3.895 3.060 2.516 3.718 . 0 0 "[ . 1 . 2 .]" 1
1195 1 88 ILE HA 1 88 ILE HG13 2.469 . 3.716 3.230 2.432 3.761 0.045 2 0 "[ . 1 . 2 .]" 1
1196 1 88 ILE HB 1 88 ILE MG 2.101 . 3.811 2.117 2.090 2.130 . 0 0 "[ . 1 . 2 .]" 1
1197 1 88 ILE HG12 1 88 ILE MG 2.597 . 5.357 2.708 2.086 3.204 . 0 0 "[ . 1 . 2 .]" 1
1198 1 88 ILE HG13 1 88 ILE MG 3.035 2.284 5.839 2.646 2.265 3.204 0.019 24 0 "[ . 1 . 2 .]" 1
1199 1 88 ILE HA 1 88 ILE MG 2.428 . 4.171 2.352 2.169 2.492 . 0 0 "[ . 1 . 2 .]" 1
1200 1 88 ILE HB 1 88 ILE HG12 2.836 2.145 4.120 2.662 2.454 3.033 . 0 0 "[ . 1 . 2 .]" 1
1201 1 88 ILE HB 1 88 ILE MD 2.047 . 3.752 2.770 2.266 3.227 . 0 0 "[ . 1 . 2 .]" 1
1202 1 88 ILE HA 1 88 ILE MD 2.803 2.122 4.583 2.911 2.128 3.836 . 0 0 "[ . 1 . 2 .]" 1
1203 1 88 ILE MD 1 88 ILE HG12 2.074 . 4.781 2.101 2.085 2.118 . 0 0 "[ . 1 . 2 .]" 1
1204 1 88 ILE MD 1 88 ILE HG13 1.953 . 4.648 2.105 2.089 2.121 . 0 0 "[ . 1 . 2 .]" 1
1205 1 38 ASN HA 1 89 LYS HB3 2.649 2.014 4.914 4.558 3.486 5.466 0.552 25 1 "[ . 1 . 2 +]" 1
1206 1 88 ILE MG 1 89 LYS HA 2.580 . 4.338 3.577 3.192 3.869 . 0 0 "[ . 1 . 2 .]" 1
1207 1 89 LYS HA 1 89 LYS HB3 2.616 . 3.597 2.540 2.253 3.019 . 0 0 "[ . 1 . 2 .]" 1
1208 1 89 LYS HA 1 89 LYS HB2 2.883 2.178 3.800 2.696 2.466 3.028 . 0 0 "[ . 1 . 2 .]" 1
1209 1 89 LYS HA 1 89 LYS HG2 2.950 2.225 4.245 3.459 2.461 4.235 . 0 0 "[ . 1 . 2 .]" 1
1210 1 89 LYS HA 1 89 LYS HG3 2.589 2.311 3.848 3.578 3.108 3.811 . 0 0 "[ . 1 . 2 .]" 1
1211 1 89 LYS HB3 1 89 LYS HG3 2.825 2.137 5.108 2.538 2.351 3.015 . 0 0 "[ . 1 . 2 .]" 1
1212 1 89 LYS HB2 1 89 LYS HG3 2.977 2.244 5.275 2.708 2.344 3.022 . 0 0 "[ . 1 . 2 .]" 1
1213 1 89 LYS HB2 1 89 LYS QE 3.605 2.683 5.966 3.281 2.185 4.541 0.498 25 0 "[ . 1 . 2 .]" 1
1214 1 89 LYS HB3 1 89 LYS QE 3.360 2.512 5.696 3.279 1.859 4.228 0.653 14 6 "[* * . 1 -+.* *2 .]" 1
1215 1 89 LYS HA 1 89 LYS QE 3.426 2.558 4.530 3.690 1.720 4.378 0.838 17 1 "[ . 1 . + 2 .]" 1
1216 1 89 LYS QE 1 89 LYS HG3 2.878 2.174 5.166 2.661 2.238 3.564 . 0 0 "[ . 1 . 2 .]" 1
1217 1 62 VAL QG 1 90 GLY HA2 3.023 2.276 4.091 3.651 3.210 3.800 . 0 0 "[ . 1 . 2 .]" 1
1218 1 90 GLY HA3 1 91 PRO HA . . 2.525 2.405 1.993 2.589 0.064 17 0 "[ . 1 . 2 .]" 1
1219 1 90 GLY HA2 1 91 PRO HA 2.782 2.107 2.835 2.131 2.009 2.415 0.098 17 0 "[ . 1 . 2 .]" 1
1220 1 90 GLY HA2 1 93 ILE MD 2.803 2.122 4.583 2.676 1.948 3.147 0.174 5 0 "[ . 1 . 2 .]" 1
1221 1 90 GLY HA2 1 93 ILE QG 3.096 2.327 4.331 2.616 2.305 2.853 0.022 24 0 "[ . 1 . 2 .]" 1
1222 1 62 VAL QG 1 91 PRO HB2 3.336 2.495 5.670 3.979 3.300 4.411 . 0 0 "[ . 1 . 2 .]" 1
1223 1 90 GLY HA2 1 91 PRO HB3 2.827 2.139 4.110 4.268 4.170 4.484 0.374 13 0 "[ . 1 . 2 .]" 1
1224 1 90 GLY HA3 1 91 PRO HB3 2.843 2.150 4.127 4.081 3.682 4.233 0.106 24 0 "[ . 1 . 2 .]" 1
1225 1 90 GLY HA3 1 93 ILE QG 3.137 2.356 4.451 4.130 3.902 4.300 . 0 0 "[ . 1 . 2 .]" 1
1226 1 91 PRO HA 1 91 PRO HB3 2.532 2.172 3.785 2.299 2.247 2.318 . 0 0 "[ . 1 . 2 .]" 1
1227 1 91 PRO HA 1 91 PRO HB2 2.454 2.200 3.699 2.648 2.613 2.702 . 0 0 "[ . 1 . 2 .]" 1
1228 1 91 PRO HA 1 91 PRO HG2 3.581 2.667 4.939 3.880 3.840 3.940 . 0 0 "[ . 1 . 2 .]" 1
1229 1 91 PRO HB2 1 91 PRO HG2 3.024 2.277 5.326 2.297 2.263 2.319 0.014 8 0 "[ . 1 . 2 .]" 1
1230 1 91 PRO HB2 1 91 PRO HD2 3.285 2.459 5.614 3.940 3.812 4.026 . 0 0 "[ . 1 . 2 .]" 1
1231 1 91 PRO HB2 1 91 PRO HD3 3.710 2.757 6.081 4.036 3.979 4.082 . 0 0 "[ . 1 . 2 .]" 1
1232 1 91 PRO HB3 1 91 PRO HD3 3.101 2.331 5.411 3.216 3.059 3.402 . 0 0 "[ . 1 . 2 .]" 1
1233 1 91 PRO HD3 1 91 PRO HG2 3.006 2.264 5.307 2.942 2.892 2.975 . 0 0 "[ . 1 . 2 .]" 1
1234 1 91 PRO HD2 1 91 PRO HG2 3.223 2.416 5.545 2.292 2.258 2.307 0.158 8 0 "[ . 1 . 2 .]" 1
1235 1 91 PRO HB3 1 91 PRO HD2 2.985 2.250 5.283 3.889 3.869 3.918 . 0 0 "[ . 1 . 2 .]" 1
1236 1 62 VAL QG 1 92 TYR HB2 3.138 2.357 5.452 3.690 3.182 4.948 . 0 0 "[ . 1 . 2 .]" 1
1237 1 92 TYR HA 1 92 TYR QD 2.757 2.090 5.433 3.125 2.910 3.204 . 0 0 "[ . 1 . 2 .]" 1
1238 1 92 TYR HA 1 92 TYR HB3 2.684 2.147 3.952 2.477 2.426 2.533 . 0 0 "[ . 1 . 2 .]" 1
1239 1 92 TYR HA 1 92 TYR HB2 2.937 2.528 4.231 3.029 3.022 3.035 . 0 0 "[ . 1 . 2 .]" 1
1240 1 92 TYR HB3 1 92 TYR QD 2.986 2.250 6.685 2.279 2.253 2.330 . 0 0 "[ . 1 . 2 .]" 1
1241 1 62 VAL QG 1 93 ILE HA 3.466 2.586 4.078 2.924 2.166 3.560 0.420 12 0 "[ . 1 . 2 .]" 1
1242 1 62 VAL HA 1 93 ILE HA 2.883 2.178 2.897 2.675 2.119 3.035 0.138 20 0 "[ . 1 . 2 .]" 1
1243 1 91 PRO HD2 1 93 ILE MD 2.584 . 5.342 5.117 4.502 5.441 0.099 18 0 "[ . 1 . 2 .]" 1
1244 1 93 ILE HA 1 93 ILE QG 2.450 2.283 3.695 2.382 2.317 2.459 . 0 0 "[ . 1 . 2 .]" 1
1245 1 93 ILE HA 1 93 ILE HB 2.819 2.312 3.101 3.028 3.019 3.039 . 0 0 "[ . 1 . 2 .]" 1
1246 1 93 ILE HB 1 93 ILE MD 2.607 . 4.253 2.370 2.117 2.497 . 0 0 "[ . 1 . 2 .]" 1
1247 1 93 ILE HA 1 93 ILE MD 3.299 2.469 4.663 3.676 3.302 3.813 . 0 0 "[ . 1 . 2 .]" 1
1248 1 93 ILE MD 1 93 ILE QG 2.347 . 4.671 1.874 1.846 1.888 0.034 21 0 "[ . 1 . 2 .]" 1
1249 1 93 ILE HA 1 93 ILE MG 2.410 . 4.151 2.348 2.189 2.453 . 0 0 "[ . 1 . 2 .]" 1
1250 1 93 ILE HB 1 93 ILE MG 2.037 . 3.741 2.108 2.078 2.129 . 0 0 "[ . 1 . 2 .]" 1
1251 1 93 ILE MG 1 94 GLU HA 2.646 2.012 4.411 3.471 3.192 3.905 . 0 0 "[ . 1 . 2 .]" 1
1252 1 61 PHE QB 1 94 GLU HB3 2.920 2.204 4.078 2.831 1.317 3.799 0.887 7 6 "[** . + 1 - * * 2 .]" 1
1253 1 61 PHE QB 1 94 GLU HB2 2.896 2.195 5.186 2.347 1.472 3.500 0.723 4 4 "[ *+. * 1 . - .]" 1
1254 1 94 GLU HA 1 94 GLU HB2 2.783 2.108 3.788 2.808 2.458 3.035 . 0 0 "[ . 1 . 2 .]" 1
1255 1 94 GLU HA 1 94 GLU HB3 2.913 2.199 3.871 2.679 2.377 3.034 . 0 0 "[ . 1 . 2 .]" 1
1256 1 94 GLU HA 1 94 GLU HG2 3.069 2.430 4.376 3.066 2.511 3.768 . 0 0 "[ . 1 . 2 .]" 1
1257 1 94 GLU HB3 1 94 GLU HG2 2.272 . 4.499 2.619 2.401 3.015 . 0 0 "[ . 1 . 2 .]" 1
1258 1 94 GLU HB3 1 94 GLU HG3 2.280 . 4.508 2.750 2.435 3.018 . 0 0 "[ . 1 . 2 .]" 1
1259 1 94 GLU HA 1 94 GLU HG3 3.216 2.411 4.538 3.209 2.533 3.856 . 0 0 "[ . 1 . 2 .]" 1
1260 1 60 ILE HA 1 95 ILE HA 2.380 2.106 2.618 2.252 2.076 2.522 0.030 10 0 "[ . 1 . 2 .]" 1
1261 1 60 ILE MG 1 95 ILE HG12 2.495 . 5.244 1.994 1.627 2.307 0.280 25 0 "[ . 1 . 2 .]" 1
1262 1 70 PHE QE 1 95 ILE MG 2.633 2.003 6.796 3.276 2.728 3.913 . 0 0 "[ . 1 . 2 .]" 1
1263 1 70 PHE HZ 1 95 ILE MG 2.660 2.022 4.426 3.410 3.103 3.890 . 0 0 "[ . 1 . 2 .]" 1
1264 1 70 PHE HZ 1 95 ILE MD 3.370 2.519 5.207 5.322 5.271 5.366 0.159 16 0 "[ . 1 . 2 .]" 1
1265 1 70 PHE QE 1 95 ILE MD 3.258 2.440 7.484 4.637 4.445 4.783 . 0 0 "[ . 1 . 2 .]" 1
1266 1 95 ILE HA 1 95 ILE MD 2.724 2.214 4.496 3.843 3.716 3.950 . 0 0 "[ . 1 . 2 .]" 1
1267 1 95 ILE HA 1 95 ILE HG13 2.115 2.017 3.327 3.208 2.961 3.340 0.013 12 0 "[ . 1 . 2 .]" 1
1268 1 95 ILE HA 1 95 ILE HG12 2.565 2.181 3.821 2.603 2.366 2.845 . 0 0 "[ . 1 . 2 .]" 1
1269 1 95 ILE HA 1 95 ILE HB 2.628 2.247 2.891 3.010 2.994 3.024 0.133 3 0 "[ . 1 . 2 .]" 1
1270 1 95 ILE HB 1 95 ILE MD 2.311 . 3.922 2.464 2.410 2.506 . 0 0 "[ . 1 . 2 .]" 1
1271 1 95 ILE HB 1 95 ILE HG12 2.631 2.002 3.894 3.014 3.005 3.021 . 0 0 "[ . 1 . 2 .]" 1
1272 1 95 ILE MD 1 95 ILE MG 1.895 . 5.085 1.888 1.830 2.016 0.050 14 0 "[ . 1 . 2 .]" 1
1273 1 95 ILE HG12 1 95 ILE MG 2.514 . 5.265 2.322 2.171 2.427 . 0 0 "[ . 1 . 2 .]" 1
1274 1 95 ILE HB 1 95 ILE MG 1.868 . 3.555 2.097 2.088 2.118 . 0 0 "[ . 1 . 2 .]" 1
1275 1 95 ILE HA 1 95 ILE MG 2.133 . 3.846 2.349 2.133 2.652 . 0 0 "[ . 1 . 2 .]" 1
1276 1 95 ILE MD 1 95 ILE HG12 2.226 . 4.949 2.100 2.071 2.120 . 0 0 "[ . 1 . 2 .]" 1
1277 1 95 ILE MD 1 95 ILE HG13 2.110 . 4.821 2.106 2.080 2.122 . 0 0 "[ . 1 . 2 .]" 1
1278 1 58 TRP HH2 1 96 LYS HA 2.358 . 2.594 2.487 2.268 2.639 0.045 6 0 "[ . 1 . 2 .]" 1
1279 1 95 ILE MG 1 96 LYS HA 3.051 2.296 4.856 3.797 3.372 4.201 . 0 0 "[ . 1 . 2 .]" 1
1280 1 96 LYS HA 1 96 LYS HB2 2.203 . 3.423 2.362 2.273 2.643 . 0 0 "[ . 1 . 2 .]" 1
1281 1 96 LYS HA 1 96 LYS HD3 2.467 . 3.714 3.873 3.737 4.045 0.331 19 0 "[ . 1 . 2 .]" 1
1282 1 96 LYS HB3 1 96 LYS HD3 2.311 2.033 4.542 3.235 3.049 3.726 . 0 0 "[ . 1 . 2 .]" 1
1283 1 96 LYS HB2 1 96 LYS HD3 2.277 2.079 4.505 3.425 2.369 3.768 . 0 0 "[ . 1 . 2 .]" 1
1284 1 96 LYS HB2 1 96 LYS QG 2.695 2.065 4.965 2.204 2.153 2.340 . 0 0 "[ . 1 . 2 .]" 1
1285 1 96 LYS HB3 1 96 LYS QG 2.834 2.174 5.117 2.294 2.155 2.357 0.019 5 0 "[ . 1 . 2 .]" 1
1286 1 96 LYS HE2 1 96 LYS QG 2.731 2.152 5.004 2.783 2.494 3.504 . 0 0 "[ . 1 . 2 .]" 1
1287 1 96 LYS HD2 1 96 LYS HE3 2.592 . 4.851 2.694 2.428 3.030 . 0 0 "[ . 1 . 2 .]" 1
1288 1 96 LYS HD3 1 96 LYS HE3 2.855 2.159 4.523 2.735 2.371 2.985 . 0 0 "[ . 1 . 2 .]" 1
1289 1 96 LYS HD3 1 96 LYS HE2 2.690 2.043 4.572 2.478 2.309 3.027 . 0 0 "[ . 1 . 2 .]" 1
1290 1 96 LYS HD2 1 96 LYS HE2 2.593 . 4.852 2.749 2.359 3.027 . 0 0 "[ . 1 . 2 .]" 1
1291 1 96 LYS HB3 1 96 LYS HD2 2.638 2.007 4.902 3.008 2.616 4.246 . 0 0 "[ . 1 . 2 .]" 1
1292 1 96 LYS HB2 1 96 LYS HD2 2.770 2.099 5.047 3.690 3.183 3.837 . 0 0 "[ . 1 . 2 .]" 1
1293 1 61 PHE HZ 1 96 LYS HE2 3.215 2.410 4.537 3.166 2.593 3.817 . 0 0 "[ . 1 . 2 .]" 1
1294 1 61 PHE HZ 1 96 LYS HE3 3.174 2.382 4.491 4.213 3.216 4.683 0.192 5 0 "[ . 1 . 2 .]" 1
1295 1 58 TRP HA 1 97 GLN HA 2.110 . 2.311 2.095 1.883 2.320 0.009 19 0 "[ . 1 . 2 .]" 1
1296 1 59 GLY HA2 1 66 LYS HD3 3.066 2.306 4.373 3.771 2.865 5.137 0.764 25 1 "[ . 1 . 2 +]" 1
1297 1 97 GLN HA 1 97 GLN HB3 2.460 . 3.706 2.404 2.293 2.460 . 0 0 "[ . 1 . 2 .]" 1
1298 1 97 GLN HA 1 97 GLN HB2 2.395 . 3.573 2.417 2.341 2.493 . 0 0 "[ . 1 . 2 .]" 1
1299 1 97 GLN HA 1 97 GLN HG2 2.181 2.126 3.399 3.728 3.620 4.167 0.768 6 2 "[ .+ 1 . -2 .]" 1
1300 1 97 GLN HA 1 97 GLN HG3 2.675 2.032 3.943 3.726 3.587 4.179 0.236 24 0 "[ . 1 . 2 .]" 1
1301 1 97 GLN HB2 1 97 GLN HG2 2.493 . 4.742 2.941 2.475 3.015 . 0 0 "[ . 1 . 2 .]" 1
1302 1 97 GLN HB2 1 97 GLN HG3 2.536 . 4.790 2.465 2.320 3.003 . 0 0 "[ . 1 . 2 .]" 1
1303 1 22 ASP QB 1 98 ILE MG 4.864 3.565 7.850 4.325 2.418 6.332 1.147 4 6 "[* +. ** *.- 2 .]" 1
1304 1 66 LYS QE 1 98 ILE MD 3.054 2.298 5.716 3.167 2.052 4.670 0.246 14 0 "[ . 1 . 2 .]" 1
1305 1 25 ASN H 1 98 ILE MG 1.940 . 3.634 1.939 1.757 2.679 0.123 7 0 "[ . 1 . 2 .]" 1
1306 1 57 ASN HB2 1 98 ILE MD 2.547 . 5.302 3.431 2.812 3.785 . 0 0 "[ . 1 . 2 .]" 1
1307 1 57 ASN HB2 1 98 ILE QG 2.473 2.229 4.720 2.724 2.514 2.956 . 0 0 "[ . 1 . 2 .]" 1
1308 1 57 ASN HA 1 98 ILE QG 3.322 2.518 4.654 4.280 4.210 4.414 . 0 0 "[ . 1 . 2 .]" 1
1309 1 57 ASN HB2 1 98 ILE MG 4.636 3.405 7.600 5.324 5.174 5.475 . 0 0 "[ . 1 . 2 .]" 1
1310 1 58 TRP HA 1 98 ILE QG 3.150 2.365 4.100 2.585 2.500 2.692 . 0 0 "[ . 1 . 2 .]" 1
1311 1 58 TRP HA 1 98 ILE MG 2.829 2.140 4.612 3.652 3.379 4.034 . 0 0 "[ . 1 . 2 .]" 1
1312 1 20 VAL HB 1 98 ILE MG 3.091 2.324 5.900 2.540 1.447 3.255 0.877 16 6 "[ *. 1* *+ -2 * .]" 1
1313 1 58 TRP HA 1 98 ILE MD 2.834 2.144 4.617 3.240 3.010 3.467 . 0 0 "[ . 1 . 2 .]" 1
1314 1 59 GLY HA2 1 98 ILE MD 2.644 2.011 4.148 3.661 3.262 4.113 . 0 0 "[ . 1 . 2 .]" 1
1315 1 59 GLY HA3 1 98 ILE MD 2.905 2.194 4.234 3.045 2.640 3.470 . 0 0 "[ . 1 . 2 .]" 1
1316 1 59 GLY HA3 1 98 ILE MG 2.786 2.110 4.565 2.881 2.346 3.053 . 0 0 "[ . 1 . 2 .]" 1
1317 1 59 GLY HA2 1 98 ILE MG 2.523 . 4.275 4.223 3.617 4.388 0.113 7 0 "[ . 1 . 2 .]" 1
1318 1 25 ASN H 1 98 ILE MD 2.412 . 4.153 2.977 2.500 3.684 . 0 0 "[ . 1 . 2 .]" 1
1319 1 97 GLN HA 1 98 ILE MD 2.576 . 4.334 4.293 4.111 4.432 0.098 18 0 "[ . 1 . 2 .]" 1
1320 1 96 LYS HE2 1 98 ILE QG 2.713 2.224 4.984 4.805 4.261 5.831 0.847 19 4 "[ . 1- * +2 * .]" 1
1321 1 97 GLN HA 1 98 ILE MG 2.969 2.238 4.766 3.384 3.224 3.549 . 0 0 "[ . 1 . 2 .]" 1
1322 1 97 GLN HB2 1 98 ILE MD 2.246 . 4.971 5.287 5.219 5.395 0.424 6 0 "[ . 1 . 2 .]" 1
1323 1 98 ILE HA 1 98 ILE MD 2.583 2.084 4.341 4.129 4.118 4.138 . 0 0 "[ . 1 . 2 .]" 1
1324 1 98 ILE HA 1 98 ILE MG 2.016 . 3.715 2.243 2.152 2.331 . 0 0 "[ . 1 . 2 .]" 1
1325 1 98 ILE HA 1 98 ILE QG 2.683 2.406 3.951 3.245 3.226 3.257 . 0 0 "[ . 1 . 2 .]" 1
1326 1 98 ILE HA 1 98 ILE HB 2.053 . 2.258 2.495 2.476 2.515 0.257 20 0 "[ . 1 . 2 .]" 1
1327 1 98 ILE HB 1 98 ILE MD 2.270 . 3.844 2.487 2.414 2.546 . 0 0 "[ . 1 . 2 .]" 1
1328 1 98 ILE HB 1 98 ILE MG 2.136 . 3.543 2.090 2.080 2.127 . 0 0 "[ . 1 . 2 .]" 1
1329 1 98 ILE HB 1 98 ILE QG 2.279 2.060 3.507 2.311 2.283 2.336 . 0 0 "[ . 1 . 2 .]" 1
1330 1 98 ILE QG 1 98 ILE MG 2.619 . 5.381 2.374 2.325 2.421 . 0 0 "[ . 1 . 2 .]" 1
1331 1 98 ILE MD 1 98 ILE MG 2.379 . 5.031 1.887 1.857 1.977 0.023 12 0 "[ . 1 . 2 .]" 1
1332 1 98 ILE MD 1 98 ILE QG 1.912 . 4.603 1.833 1.827 1.837 0.053 11 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 188
_Distance_constraint_stats_list.Viol_total 402.839
_Distance_constraint_stats_list.Viol_max 0.258
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.0857
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 ASN 0.995 0.128 9 0 "[ . 1 . 2 .]"
1 18 ASN 3.787 0.240 7 0 "[ . 1 . 2 .]"
1 19 SER 2.655 0.198 24 0 "[ . 1 . 2 .]"
1 20 VAL 0.382 0.085 1 0 "[ . 1 . 2 .]"
1 22 ASP 3.787 0.240 7 0 "[ . 1 . 2 .]"
1 23 LYS 1.660 0.198 24 0 "[ . 1 . 2 .]"
1 24 LEU 0.382 0.085 1 0 "[ . 1 . 2 .]"
1 30 LYS 3.281 0.258 4 0 "[ . 1 . 2 .]"
1 32 SER 0.035 0.035 16 0 "[ . 1 . 2 .]"
1 34 SER 0.009 0.009 19 0 "[ . 1 . 2 .]"
1 36 ASN 0.152 0.049 13 0 "[ . 1 . 2 .]"
1 39 GLN 0.152 0.049 13 0 "[ . 1 . 2 .]"
1 41 LYS 0.009 0.009 19 0 "[ . 1 . 2 .]"
1 43 THR 0.035 0.035 16 0 "[ . 1 . 2 .]"
1 45 SER 3.281 0.258 4 0 "[ . 1 . 2 .]"
1 56 LYS 0.091 0.062 7 0 "[ . 1 . 2 .]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 TRP 1.628 0.128 15 0 "[ . 1 . 2 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 ILE 0.525 0.065 19 0 "[ . 1 . 2 .]"
1 68 TYR 0.525 0.065 19 0 "[ . 1 . 2 .]"
1 70 PHE 1.628 0.128 15 0 "[ . 1 . 2 .]"
1 72 GLU 0.091 0.062 7 0 "[ . 1 . 2 .]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 ASN 0.289 0.055 8 0 "[ . 1 . 2 .]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 SER 0.003 0.003 24 0 "[ . 1 . 2 .]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 82 ASP 0.289 0.055 8 0 "[ . 1 . 2 .]"
1 83 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 84 ASN 0.003 0.003 24 0 "[ . 1 . 2 .]"
1 85 LYS 3.277 0.175 11 0 "[ . 1 . 2 .]"
1 87 ASN 3.277 0.175 11 0 "[ . 1 . 2 .]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 ASN O 1 19 SER N 3.200 2.516 3.927 2.592 2.498 2.874 0.018 4 0 "[ . 1 . 2 .]" 2
2 1 15 ASN O 1 19 SER H 2.200 . 2.700 1.740 1.602 2.306 0.128 9 0 "[ . 1 . 2 .]" 2
3 1 18 ASN O 1 22 ASP N 3.200 2.516 3.927 3.703 3.463 3.837 . 0 0 "[ . 1 . 2 .]" 2
4 1 18 ASN O 1 22 ASP H 2.200 . 2.700 2.851 2.746 2.940 0.240 7 0 "[ . 1 . 2 .]" 2
5 1 19 SER O 1 23 LYS N 3.200 2.516 3.927 3.367 3.134 3.513 . 0 0 "[ . 1 . 2 .]" 2
6 1 19 SER O 1 23 LYS H 2.200 . 2.700 2.756 2.580 2.898 0.198 24 0 "[ . 1 . 2 .]" 2
7 1 20 VAL O 1 24 LEU N 3.200 2.516 3.927 3.517 3.003 3.729 . 0 0 "[ . 1 . 2 .]" 2
8 1 20 VAL O 1 24 LEU H 2.200 . 2.700 2.593 2.065 2.785 0.085 1 0 "[ . 1 . 2 .]" 2
9 1 30 LYS H 1 45 SER O 2.200 . 2.700 2.831 2.746 2.958 0.258 4 0 "[ . 1 . 2 .]" 2
10 1 30 LYS N 1 45 SER O 3.200 2.516 3.927 3.745 3.644 3.873 . 0 0 "[ . 1 . 2 .]" 2
11 1 32 SER O 1 43 THR N 3.200 2.516 3.927 2.711 2.624 2.791 . 0 0 "[ . 1 . 2 .]" 2
12 1 32 SER O 1 43 THR H 2.200 . 2.700 1.811 1.695 1.958 0.035 16 0 "[ . 1 . 2 .]" 2
13 1 34 SER O 1 41 LYS N 3.200 2.516 3.927 2.782 2.688 2.965 . 0 0 "[ . 1 . 2 .]" 2
14 1 34 SER O 1 41 LYS H 2.200 . 2.700 1.865 1.721 2.100 0.009 19 0 "[ . 1 . 2 .]" 2
15 1 36 ASN H 1 39 GLN O 2.200 . 2.700 2.373 1.882 2.749 0.049 13 0 "[ . 1 . 2 .]" 2
16 1 36 ASN N 1 39 GLN O 3.200 2.516 3.927 3.205 2.756 3.612 . 0 0 "[ . 1 . 2 .]" 2
17 1 56 LYS O 1 72 GLU N 3.200 2.516 3.927 3.173 2.638 3.484 . 0 0 "[ . 1 . 2 .]" 2
18 1 56 LYS O 1 72 GLU H 2.200 . 2.700 2.361 1.721 2.762 0.062 7 0 "[ . 1 . 2 .]" 2
19 1 57 ASN O 1 98 ILE N 3.200 2.516 3.927 3.126 2.862 3.443 . 0 0 "[ . 1 . 2 .]" 2
20 1 57 ASN O 1 98 ILE H 2.200 . 2.700 2.156 1.888 2.468 . 0 0 "[ . 1 . 2 .]" 2
21 1 58 TRP O 1 70 PHE N 3.200 2.516 3.927 3.541 3.426 3.634 . 0 0 "[ . 1 . 2 .]" 2
22 1 58 TRP O 1 70 PHE H 2.200 . 2.700 2.765 2.712 2.828 0.128 15 0 "[ . 1 . 2 .]" 2
23 1 59 GLY O 1 96 LYS N 3.200 2.516 3.927 3.027 2.910 3.151 . 0 0 "[ . 1 . 2 .]" 2
24 1 59 GLY O 1 96 LYS H 2.200 . 2.700 2.090 1.952 2.217 . 0 0 "[ . 1 . 2 .]" 2
25 1 60 ILE H 1 68 TYR O 2.200 . 2.700 2.678 2.326 2.765 0.065 19 0 "[ . 1 . 2 .]" 2
26 1 60 ILE N 1 68 TYR O 3.200 2.516 3.927 3.304 3.108 3.410 . 0 0 "[ . 1 . 2 .]" 2
27 1 75 THR O 1 79 ILE N 3.200 2.516 3.927 2.918 2.724 3.178 . 0 0 "[ . 1 . 2 .]" 2
28 1 75 THR O 1 79 ILE H 2.200 . 2.700 2.029 1.848 2.267 . 0 0 "[ . 1 . 2 .]" 2
29 1 76 VAL O 1 80 SER N 3.200 2.516 3.927 2.873 2.670 3.089 . 0 0 "[ . 1 . 2 .]" 2
30 1 76 VAL O 1 80 SER H 2.200 . 2.700 2.032 1.796 2.260 . 0 0 "[ . 1 . 2 .]" 2
31 1 77 GLY O 1 81 ASN N 3.200 2.516 3.927 2.938 2.689 3.275 . 0 0 "[ . 1 . 2 .]" 2
32 1 77 GLY O 1 81 ASN H 2.200 . 2.700 2.159 1.878 2.502 . 0 0 "[ . 1 . 2 .]" 2
33 1 78 ASN O 1 82 ASP N 3.200 2.516 3.927 3.354 3.174 3.492 . 0 0 "[ . 1 . 2 .]" 2
34 1 78 ASN O 1 82 ASP H 2.200 . 2.700 2.651 2.399 2.755 0.055 8 0 "[ . 1 . 2 .]" 2
35 1 79 ILE O 1 83 ILE N 3.200 2.516 3.927 2.762 2.678 2.850 . 0 0 "[ . 1 . 2 .]" 2
36 1 79 ILE O 1 83 ILE H 2.200 . 2.700 1.975 1.825 2.156 . 0 0 "[ . 1 . 2 .]" 2
37 1 80 SER O 1 84 ASN N 3.200 2.516 3.927 3.162 3.016 3.476 . 0 0 "[ . 1 . 2 .]" 2
38 1 80 SER O 1 84 ASN H 2.200 . 2.700 2.355 2.055 2.703 0.003 24 0 "[ . 1 . 2 .]" 2
39 1 85 LYS O 1 87 ASN N 3.200 2.516 3.927 2.905 2.860 3.025 . 0 0 "[ . 1 . 2 .]" 2
40 1 85 LYS O 1 87 ASN H 2.200 . 2.700 2.831 2.785 2.875 0.175 11 0 "[ . 1 . 2 .]" 2
stop_
save_
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