NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381433 |
1j03   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j03
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 1874
_Distance_constraint_stats_list.Viol_count 3971
_Distance_constraint_stats_list.Viol_total 11642.613
_Distance_constraint_stats_list.Viol_max 0.934
_Distance_constraint_stats_list.Viol_rms 0.0649
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.1466
_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 3 MET 5.180 0.570 20 1 "[ . 1 . +]"
1 4 GLU 9.784 0.705 16 7 "[** . * *+ *-2]"
1 5 PHE 10.255 0.309 16 0 "[ . 1 . 2]"
1 6 THR 2.106 0.165 13 0 "[ . 1 . 2]"
1 7 ALA 7.201 0.400 2 0 "[ . 1 . 2]"
1 8 GLU 0.011 0.011 2 0 "[ . 1 . 2]"
1 9 GLN 3.799 0.132 9 0 "[ . 1 . 2]"
1 10 LEU 25.560 0.510 18 2 "[ . 1- . + 2]"
1 11 SER 7.075 0.301 16 0 "[ . 1 . 2]"
1 12 GLN 3.798 0.248 8 0 "[ . 1 . 2]"
1 13 TYR 16.973 0.683 19 3 "[ . 1 -* . +2]"
1 14 ASN 6.207 0.308 13 0 "[ . 1 . 2]"
1 15 GLY 2.576 0.124 10 0 "[ . 1 . 2]"
1 16 THR 0.954 0.148 2 0 "[ . 1 . 2]"
1 17 ASP 2.516 0.411 7 0 "[ . 1 . 2]"
1 18 GLU 1.444 0.169 7 0 "[ . 1 . 2]"
1 19 SER 0.568 0.411 7 0 "[ . 1 . 2]"
1 20 LYS 15.774 0.359 8 0 "[ . 1 . 2]"
1 21 PRO 21.531 0.683 19 3 "[ . 1 ** . +2]"
1 22 ILE 9.539 0.265 18 0 "[ . 1 . 2]"
1 23 TYR 12.922 0.698 6 5 "[ .+ * 1 * * -2]"
1 24 VAL 2.330 0.445 12 0 "[ . 1 . 2]"
1 25 ALA 14.785 0.475 18 0 "[ . 1 . 2]"
1 26 ILE 13.979 0.804 6 9 "[ *.+** 1*- * ** 2]"
1 27 LYS 7.946 0.804 6 9 "[ *.+** 1*- * ** 2]"
1 28 GLY 11.331 0.475 18 0 "[ . 1 . 2]"
1 29 ARG 6.288 0.435 14 0 "[ . 1 . 2]"
1 30 VAL 5.586 0.205 12 0 "[ . 1 . 2]"
1 31 PHE 29.722 0.828 5 13 "[ *+ * ******- ***]"
1 32 ASP 18.641 0.699 15 3 "[ .- * 1 + 2]"
1 33 VAL 20.565 0.445 12 0 "[ . 1 . 2]"
1 34 THR 35.129 0.746 6 20 [*****+***********-**]
1 35 THR 6.271 0.240 6 0 "[ . 1 . 2]"
1 36 GLY 16.193 0.746 6 20 [*****+***********-**]
1 37 LYS 14.251 0.549 18 1 "[ . 1 . + 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 6.260 0.495 14 0 "[ . 1 . 2]"
1 40 TYR 11.270 0.327 11 0 "[ . 1 . 2]"
1 41 GLY 0.548 0.123 14 0 "[ . 1 . 2]"
1 42 SER 2.215 0.263 11 0 "[ . 1 . 2]"
1 43 GLY 0.258 0.069 14 0 "[ . 1 . 2]"
1 44 GLY 4.511 0.679 14 1 "[ . 1 +. 2]"
1 45 ASP 8.954 0.495 14 0 "[ . 1 . 2]"
1 46 TYR 43.633 0.679 14 1 "[ . 1 +. 2]"
1 47 SER 9.078 0.338 14 0 "[ . 1 . 2]"
1 48 MET 7.275 0.202 11 0 "[ . 1 . 2]"
1 49 PHE 9.281 0.286 16 0 "[ . 1 . 2]"
1 50 ALA 6.489 0.257 16 0 "[ . 1 . 2]"
1 51 GLY 4.187 0.510 18 2 "[ . 1- . + 2]"
1 52 LYS 8.756 0.281 11 0 "[ . 1 . 2]"
1 53 ASP 15.796 0.302 20 0 "[ . 1 . 2]"
1 54 ALA 2.326 0.135 12 0 "[ . 1 . 2]"
1 55 SER 0.279 0.074 11 0 "[ . 1 . 2]"
1 56 ARG 5.806 0.834 19 1 "[ . 1 . +2]"
1 57 ALA 7.934 0.834 19 1 "[ . 1 . +2]"
1 58 LEU 15.209 0.488 18 0 "[ . 1 . 2]"
1 59 GLY 10.360 0.488 18 0 "[ . 1 . 2]"
1 60 LYS 8.474 0.271 20 0 "[ . 1 . 2]"
1 61 MET 7.152 0.271 20 0 "[ . 1 . 2]"
1 62 SER 6.804 0.259 19 0 "[ . 1 . 2]"
1 63 LYS 5.486 0.429 2 0 "[ . 1 . 2]"
1 64 ASN 12.003 0.934 14 5 "[ * * * +. - 2]"
1 65 GLU 8.519 0.258 8 0 "[ . 1 . 2]"
1 66 GLU 20.823 0.806 19 20 [***********-******+*]
1 67 ASP 15.697 0.806 19 20 [***********-******+*]
1 68 VAL 13.488 0.364 13 0 "[ . 1 . 2]"
1 69 SER 1.618 0.217 11 0 "[ . 1 . 2]"
1 70 PRO 16.085 0.563 20 7 "[ * . *1* - . ** +]"
1 71 SER 19.142 0.563 20 7 "[ * . *1* - . ** +]"
1 72 LEU 11.709 0.527 17 1 "[ . 1 . + 2]"
1 73 GLU 2.233 0.161 7 0 "[ . 1 . 2]"
1 74 GLY 3.896 0.306 9 0 "[ . 1 . 2]"
1 75 LEU 22.140 0.407 18 0 "[ . 1 . 2]"
1 76 THR 10.774 0.372 10 0 "[ . 1 . 2]"
1 77 GLU 27.928 0.496 20 0 "[ . 1 . 2]"
1 78 LYS 15.864 0.453 9 0 "[ . 1 . 2]"
1 79 GLU 14.937 0.496 20 0 "[ . 1 . 2]"
1 80 ILE 14.770 0.356 10 0 "[ . 1 . 2]"
1 81 ASN 6.809 0.245 16 0 "[ . 1 . 2]"
1 82 THR 7.242 0.757 9 5 "[ * +1 * . * -]"
1 83 LEU 26.685 0.412 20 0 "[ . 1 . 2]"
1 84 ASN 8.820 0.412 20 0 "[ . 1 . 2]"
1 85 ASP 7.549 0.757 9 5 "[ * +1 * . * -]"
1 86 TRP 18.935 0.396 12 0 "[ . 1 . 2]"
1 87 GLU 9.892 0.507 14 1 "[ . 1 +. 2]"
1 88 THR 4.061 0.291 20 0 "[ . 1 . 2]"
1 89 LYS 10.075 0.422 5 0 "[ . 1 . 2]"
1 90 PHE 20.265 0.664 8 20 [******-+************]
1 91 GLU 47.170 0.828 5 20 [****+**********-****]
1 92 ALA 8.197 0.449 17 0 "[ . 1 . 2]"
1 93 LYS 6.745 0.244 1 0 "[ . 1 . 2]"
1 94 TYR 5.903 0.221 17 0 "[ . 1 . 2]"
1 95 PRO 31.009 0.699 15 2 "[ .- 1 + 2]"
1 96 VAL 11.872 0.345 6 0 "[ . 1 . 2]"
1 97 VAL 11.967 0.359 6 0 "[ . 1 . 2]"
1 98 GLY 3.962 0.570 20 1 "[ . 1 . +]"
1 99 ARG 14.403 0.705 16 7 "[** . * *+ *-2]"
1 100 VAL 19.230 0.461 14 0 "[ . 1 . 2]"
1 101 VAL 1.255 0.645 9 1 "[ . +1 . 2]"
1 102 SER 1.273 0.645 9 1 "[ . +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 3 MET H 1 3 MET HB2 . . 3.380 2.274 2.150 2.874 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET H 1 3 MET HB3 . . 3.850 3.413 2.107 3.522 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET HG2 . . 4.070 3.242 2.505 4.089 0.019 20 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 3 MET HG3 . . 3.870 2.897 2.329 4.300 0.430 20 0 "[ . 1 . 2]" 1
5 1 3 MET H 1 4 GLU H . . 3.880 2.596 2.423 3.058 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET H 1 5 PHE QE . . 5.250 4.159 3.834 4.654 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 98 GLY HA2 . . 3.820 3.135 2.061 3.586 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 98 GLY HA3 . . 3.960 3.426 3.121 3.835 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET H 1 99 ARG H . . 4.930 4.573 3.900 5.000 0.070 9 0 "[ . 1 . 2]" 1
10 1 3 MET HA 1 3 MET HG2 . . 3.940 2.464 2.199 3.795 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET HA 1 3 MET HG3 . . 3.880 3.236 2.772 3.697 . 0 0 "[ . 1 . 2]" 1
12 1 3 MET HB2 1 4 GLU H . . 4.500 2.993 2.717 4.264 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET HB2 1 5 PHE QE . . 4.440 2.429 1.995 3.791 . 0 0 "[ . 1 . 2]" 1
14 1 3 MET HB2 1 98 GLY HA3 . . 4.190 3.156 2.186 4.760 0.570 20 1 "[ . 1 . +]" 1
15 1 3 MET HB3 1 4 GLU H . . 4.210 3.669 2.946 4.415 0.205 16 0 "[ . 1 . 2]" 1
16 1 3 MET HB3 1 5 PHE QE . . 4.570 3.106 2.146 3.854 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET HB3 1 98 GLY HA3 . . 4.650 4.330 3.009 4.691 0.041 12 0 "[ . 1 . 2]" 1
18 1 3 MET ME 1 5 PHE QE . . 4.190 3.423 2.702 4.159 . 0 0 "[ . 1 . 2]" 1
19 1 3 MET HG2 1 4 GLU H . . 4.750 4.851 3.505 5.196 0.446 6 0 "[ . 1 . 2]" 1
20 1 4 GLU H 1 4 GLU QG . . 3.820 2.468 1.747 2.689 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLU H 1 5 PHE H . . 4.880 3.799 3.617 4.449 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLU H 1 101 VAL QG . . 5.500 4.544 4.162 5.004 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLU HA 1 4 GLU QG . . 3.840 2.461 2.242 2.701 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLU HA 1 5 PHE H . . 2.990 2.208 2.202 2.241 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLU HA 1 5 PHE HB2 . . 4.480 4.407 4.293 4.522 0.042 9 0 "[ . 1 . 2]" 1
26 1 4 GLU HA 1 5 PHE QD . . 3.980 3.396 2.960 4.093 0.113 19 0 "[ . 1 . 2]" 1
27 1 4 GLU HA 1 98 GLY HA3 . . 4.750 3.258 2.898 3.957 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLU HA 1 99 ARG H . . 3.760 2.059 1.744 2.420 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLU HA 1 99 ARG HG2 . . 4.820 4.451 4.049 4.940 0.120 19 0 "[ . 1 . 2]" 1
30 1 4 GLU HA 1 99 ARG HG3 . . 4.410 3.799 2.759 5.115 0.705 16 7 "[** . * *+ *-2]" 1
31 1 4 GLU HA 1 100 VAL HA . . 4.340 4.409 4.278 4.512 0.172 19 0 "[ . 1 . 2]" 1
32 1 4 GLU QB 1 5 PHE H . . 3.890 3.501 3.319 3.712 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU QB 1 101 VAL H . . 5.150 4.361 3.755 5.032 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU QB 1 101 VAL QG . . 3.500 1.836 1.628 2.308 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU QG 1 5 PHE H . . 5.050 4.371 4.048 4.582 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU QG 1 99 ARG H . . 5.500 2.853 2.380 3.311 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLU QG 1 101 VAL QG . . 4.380 2.734 1.845 3.493 . 0 0 "[ . 1 . 2]" 1
38 1 5 PHE H 1 5 PHE HB2 . . 3.570 2.295 2.233 2.380 . 0 0 "[ . 1 . 2]" 1
39 1 5 PHE H 1 5 PHE HB3 . . 4.090 3.542 3.503 3.583 . 0 0 "[ . 1 . 2]" 1
40 1 5 PHE H 1 5 PHE QD . . 3.850 2.461 2.179 2.872 . 0 0 "[ . 1 . 2]" 1
41 1 5 PHE H 1 30 VAL QG . . 5.110 2.612 2.072 3.021 . 0 0 "[ . 1 . 2]" 1
42 1 5 PHE H 1 98 GLY HA3 . . 5.400 3.791 3.495 4.105 . 0 0 "[ . 1 . 2]" 1
43 1 5 PHE H 1 100 VAL MG2 . . 5.210 4.129 3.941 4.279 . 0 0 "[ . 1 . 2]" 1
44 1 5 PHE HA 1 5 PHE QD . . 3.910 3.092 2.794 3.188 . 0 0 "[ . 1 . 2]" 1
45 1 5 PHE HA 1 6 THR H . . 3.000 2.213 2.206 2.230 . 0 0 "[ . 1 . 2]" 1
46 1 5 PHE HA 1 6 THR MG . . 4.310 3.393 3.174 3.829 . 0 0 "[ . 1 . 2]" 1
47 1 5 PHE HA 1 9 GLN QB . . 4.380 3.345 3.082 3.798 . 0 0 "[ . 1 . 2]" 1
48 1 5 PHE HB2 1 6 THR H . . 4.350 4.325 4.253 4.378 0.028 18 0 "[ . 1 . 2]" 1
49 1 5 PHE HB2 1 10 LEU HB3 . . 4.380 4.631 4.534 4.689 0.309 16 0 "[ . 1 . 2]" 1
50 1 5 PHE HB2 1 30 VAL QG . . 3.970 1.862 1.740 1.977 . 0 0 "[ . 1 . 2]" 1
51 1 5 PHE HB2 1 100 VAL HA . . 3.730 3.638 3.419 3.812 0.082 15 0 "[ . 1 . 2]" 1
52 1 5 PHE HB2 1 100 VAL MG2 . . 4.050 3.545 3.324 3.748 . 0 0 "[ . 1 . 2]" 1
53 1 5 PHE HB2 1 101 VAL H . . 5.500 5.093 4.347 5.522 0.022 15 0 "[ . 1 . 2]" 1
54 1 5 PHE HB3 1 6 THR H . . 4.050 3.384 3.284 3.431 . 0 0 "[ . 1 . 2]" 1
55 1 5 PHE HB3 1 9 GLN H . . 5.500 4.922 4.760 5.166 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE HB3 1 9 GLN QB . . 4.330 3.093 2.578 3.598 . 0 0 "[ . 1 . 2]" 1
57 1 5 PHE HB3 1 10 LEU H . . 3.790 3.453 3.268 3.670 . 0 0 "[ . 1 . 2]" 1
58 1 5 PHE HB3 1 10 LEU HA . . 4.560 3.405 3.123 3.851 . 0 0 "[ . 1 . 2]" 1
59 1 5 PHE HB3 1 10 LEU HB2 . . 4.350 2.629 2.493 2.775 . 0 0 "[ . 1 . 2]" 1
60 1 5 PHE HB3 1 10 LEU HB3 . . 4.190 3.927 3.687 4.153 . 0 0 "[ . 1 . 2]" 1
61 1 5 PHE HB3 1 30 VAL QG . . 4.800 2.912 2.737 3.140 . 0 0 "[ . 1 . 2]" 1
62 1 5 PHE HB3 1 100 VAL MG2 . . 4.300 4.419 4.289 4.487 0.187 6 0 "[ . 1 . 2]" 1
63 1 5 PHE QD 1 6 THR H . . 5.140 4.294 3.899 4.534 . 0 0 "[ . 1 . 2]" 1
64 1 5 PHE QD 1 9 GLN H . . 5.500 5.533 5.322 5.632 0.132 9 0 "[ . 1 . 2]" 1
65 1 5 PHE QD 1 9 GLN QB . . 4.020 2.664 2.428 2.883 . 0 0 "[ . 1 . 2]" 1
66 1 5 PHE QD 1 9 GLN QG . . 4.290 4.176 3.715 4.408 0.118 16 0 "[ . 1 . 2]" 1
67 1 5 PHE QD 1 10 LEU HA . . 4.350 3.910 3.099 4.468 0.118 19 0 "[ . 1 . 2]" 1
68 1 5 PHE QD 1 10 LEU QD . . 4.390 4.279 4.083 4.389 . 0 0 "[ . 1 . 2]" 1
69 1 5 PHE QD 1 23 TYR QE . . 4.020 4.029 3.803 4.113 0.093 20 0 "[ . 1 . 2]" 1
70 1 5 PHE QD 1 30 VAL HB . . 4.660 3.116 2.694 3.549 . 0 0 "[ . 1 . 2]" 1
71 1 5 PHE QD 1 30 VAL QG . . 3.420 2.632 2.131 3.038 . 0 0 "[ . 1 . 2]" 1
72 1 5 PHE QD 1 98 GLY HA3 . . 4.810 2.418 1.892 3.085 . 0 0 "[ . 1 . 2]" 1
73 1 5 PHE QD 1 99 ARG H . . 4.260 3.845 2.934 4.239 . 0 0 "[ . 1 . 2]" 1
74 1 5 PHE QE 1 23 TYR QE . . 4.350 2.619 2.109 3.126 . 0 0 "[ . 1 . 2]" 1
75 1 5 PHE QE 1 97 VAL QG . . 3.910 2.368 1.908 2.918 . 0 0 "[ . 1 . 2]" 1
76 1 5 PHE QE 1 98 GLY HA2 . . 4.410 4.094 3.174 4.457 0.047 9 0 "[ . 1 . 2]" 1
77 1 5 PHE QE 1 98 GLY HA3 . . 4.050 2.762 1.979 3.082 . 0 0 "[ . 1 . 2]" 1
78 1 6 THR H 1 6 THR MG . . 3.280 2.112 1.904 2.561 . 0 0 "[ . 1 . 2]" 1
79 1 6 THR H 1 7 ALA H . . 5.480 4.634 4.611 4.646 . 0 0 "[ . 1 . 2]" 1
80 1 6 THR H 1 9 GLN H . . 4.300 3.468 3.295 3.669 . 0 0 "[ . 1 . 2]" 1
81 1 6 THR H 1 9 GLN HA . . 5.500 5.300 5.136 5.592 0.092 13 0 "[ . 1 . 2]" 1
82 1 6 THR H 1 9 GLN QB . . 3.320 2.402 2.289 2.717 . 0 0 "[ . 1 . 2]" 1
83 1 6 THR H 1 9 GLN QG . . 4.240 4.130 3.164 4.349 0.109 12 0 "[ . 1 . 2]" 1
84 1 6 THR H 1 10 LEU HB2 . . 5.500 4.935 4.800 5.079 . 0 0 "[ . 1 . 2]" 1
85 1 6 THR HA 1 6 THR HB . . 2.970 2.481 2.403 2.623 . 0 0 "[ . 1 . 2]" 1
86 1 6 THR HA 1 6 THR MG . . 3.080 2.504 2.225 2.613 . 0 0 "[ . 1 . 2]" 1
87 1 6 THR HA 1 7 ALA H . . 3.070 2.363 2.268 2.435 . 0 0 "[ . 1 . 2]" 1
88 1 6 THR HA 1 7 ALA HA . . 4.620 4.243 4.240 4.253 . 0 0 "[ . 1 . 2]" 1
89 1 6 THR HA 1 7 ALA MB . . 4.340 4.058 3.983 4.121 . 0 0 "[ . 1 . 2]" 1
90 1 6 THR HA 1 8 GLU H . . 4.900 4.023 3.841 4.213 . 0 0 "[ . 1 . 2]" 1
91 1 6 THR HA 1 9 GLN H . . 5.470 4.457 4.390 4.521 . 0 0 "[ . 1 . 2]" 1
92 1 6 THR HA 1 100 VAL MG1 . . 3.880 3.526 3.270 3.938 0.058 19 0 "[ . 1 . 2]" 1
93 1 6 THR HA 1 100 VAL MG2 . . 4.610 4.638 4.435 4.772 0.162 19 0 "[ . 1 . 2]" 1
94 1 6 THR HA 1 101 VAL H . . 3.600 2.709 2.538 2.912 . 0 0 "[ . 1 . 2]" 1
95 1 6 THR HA 1 101 VAL HB . . 4.610 4.477 3.820 4.775 0.165 13 0 "[ . 1 . 2]" 1
96 1 6 THR HA 1 101 VAL QG . . 3.820 2.429 1.953 3.481 . 0 0 "[ . 1 . 2]" 1
97 1 6 THR HA 1 102 SER H . . 4.480 2.292 1.914 4.617 0.137 9 0 "[ . 1 . 2]" 1
98 1 6 THR HB 1 7 ALA H . . 3.420 2.781 2.605 3.008 . 0 0 "[ . 1 . 2]" 1
99 1 6 THR HB 1 7 ALA MB . . 4.420 4.074 3.973 4.213 . 0 0 "[ . 1 . 2]" 1
100 1 6 THR MG 1 7 ALA H . . 4.130 4.001 3.724 4.129 . 0 0 "[ . 1 . 2]" 1
101 1 6 THR MG 1 8 GLU H . . 4.360 4.282 4.202 4.371 0.011 2 0 "[ . 1 . 2]" 1
102 1 6 THR MG 1 9 GLN QG . . 4.730 4.362 3.256 4.761 0.031 9 0 "[ . 1 . 2]" 1
103 1 6 THR MG 1 101 VAL H . . 5.500 3.885 3.572 4.227 . 0 0 "[ . 1 . 2]" 1
104 1 6 THR MG 1 102 SER HA . . 4.400 3.451 2.085 4.408 0.008 1 0 "[ . 1 . 2]" 1
105 1 7 ALA H 1 7 ALA MB . . 3.040 2.072 1.937 2.159 . 0 0 "[ . 1 . 2]" 1
106 1 7 ALA H 1 8 GLU H . . 3.650 2.733 2.716 2.764 . 0 0 "[ . 1 . 2]" 1
107 1 7 ALA H 1 9 GLN H . . 5.170 4.406 4.314 4.500 . 0 0 "[ . 1 . 2]" 1
108 1 7 ALA H 1 10 LEU H . . 5.490 4.548 4.484 4.604 . 0 0 "[ . 1 . 2]" 1
109 1 7 ALA H 1 10 LEU HB2 . . 5.500 5.486 5.425 5.571 0.071 16 0 "[ . 1 . 2]" 1
110 1 7 ALA H 1 100 VAL MG1 . . 4.120 3.540 3.240 3.747 . 0 0 "[ . 1 . 2]" 1
111 1 7 ALA H 1 100 VAL MG2 . . 5.340 4.910 4.584 5.303 . 0 0 "[ . 1 . 2]" 1
112 1 7 ALA H 1 101 VAL H . . 5.400 4.190 3.727 4.833 . 0 0 "[ . 1 . 2]" 1
113 1 7 ALA H 1 101 VAL QG . . 5.310 4.310 3.835 5.032 . 0 0 "[ . 1 . 2]" 1
114 1 7 ALA HA 1 9 GLN H . . 4.870 4.582 4.540 4.617 . 0 0 "[ . 1 . 2]" 1
115 1 7 ALA HA 1 10 LEU H . . 3.800 3.427 3.279 3.527 . 0 0 "[ . 1 . 2]" 1
116 1 7 ALA HA 1 10 LEU HB2 . . 3.560 3.895 3.840 3.960 0.400 2 0 "[ . 1 . 2]" 1
117 1 7 ALA HA 1 10 LEU HB3 . . 3.460 2.325 2.262 2.417 . 0 0 "[ . 1 . 2]" 1
118 1 7 ALA HA 1 10 LEU QD . . 4.050 2.570 2.152 2.861 . 0 0 "[ . 1 . 2]" 1
119 1 7 ALA HA 1 10 LEU HG . . 4.640 4.359 3.587 4.681 0.041 9 0 "[ . 1 . 2]" 1
120 1 7 ALA HA 1 100 VAL MG1 . . 4.050 3.835 3.449 4.137 0.087 11 0 "[ . 1 . 2]" 1
121 1 7 ALA HA 1 100 VAL MG2 . . 4.410 4.131 3.761 4.486 0.076 20 0 "[ . 1 . 2]" 1
122 1 7 ALA MB 1 8 GLU H . . 3.360 2.866 2.704 2.985 . 0 0 "[ . 1 . 2]" 1
123 1 7 ALA MB 1 8 GLU HA . . 4.460 3.848 3.766 3.907 . 0 0 "[ . 1 . 2]" 1
124 1 7 ALA MB 1 10 LEU H . . 5.110 4.646 4.472 4.749 . 0 0 "[ . 1 . 2]" 1
125 1 7 ALA MB 1 11 SER H . . 5.500 4.541 4.358 4.676 . 0 0 "[ . 1 . 2]" 1
126 1 7 ALA MB 1 70 PRO QB . . 4.100 3.291 2.782 3.726 . 0 0 "[ . 1 . 2]" 1
127 1 7 ALA MB 1 70 PRO HG3 . . 4.640 3.736 3.047 4.531 . 0 0 "[ . 1 . 2]" 1
128 1 8 GLU H 1 8 GLU QG . . 3.980 3.325 2.649 3.921 . 0 0 "[ . 1 . 2]" 1
129 1 8 GLU H 1 9 GLN H . . 3.500 2.601 2.568 2.667 . 0 0 "[ . 1 . 2]" 1
130 1 8 GLU H 1 9 GLN QB . . 5.020 4.350 4.272 4.556 . 0 0 "[ . 1 . 2]" 1
131 1 8 GLU H 1 11 SER H . . 5.500 4.462 4.300 4.590 . 0 0 "[ . 1 . 2]" 1
132 1 8 GLU HA 1 8 GLU QG . . 3.300 2.172 1.993 2.476 . 0 0 "[ . 1 . 2]" 1
133 1 8 GLU HA 1 11 SER H . . 4.290 3.561 3.318 3.723 . 0 0 "[ . 1 . 2]" 1
134 1 8 GLU QB 1 9 GLN QB . . 4.530 3.975 3.761 4.294 . 0 0 "[ . 1 . 2]" 1
135 1 9 GLN H 1 9 GLN QB . . 3.090 2.089 2.026 2.331 . 0 0 "[ . 1 . 2]" 1
136 1 9 GLN H 1 9 GLN QG . . 3.610 3.424 2.357 3.666 0.056 9 0 "[ . 1 . 2]" 1
137 1 9 GLN H 1 10 LEU H . . 3.180 2.508 2.479 2.551 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLN H 1 11 SER H . . 4.630 3.874 3.725 4.093 . 0 0 "[ . 1 . 2]" 1
139 1 9 GLN H 1 12 GLN QG . . 3.980 4.000 3.879 4.076 0.096 2 0 "[ . 1 . 2]" 1
140 1 9 GLN HA 1 9 GLN QG . . 3.030 2.105 1.952 2.633 . 0 0 "[ . 1 . 2]" 1
141 1 9 GLN HA 1 11 SER H . . 4.230 4.065 3.892 4.342 0.112 11 0 "[ . 1 . 2]" 1
142 1 9 GLN HA 1 12 GLN H . . 4.600 3.587 3.417 4.231 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLN HA 1 12 GLN HE21 . . 4.980 3.209 1.989 4.564 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLN HA 1 12 GLN HE22 . . 5.500 3.684 2.881 5.280 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLN HA 1 12 GLN QG . . 3.940 1.898 1.736 1.997 . 0 0 "[ . 1 . 2]" 1
146 1 9 GLN QB 1 9 GLN HE22 . . 4.760 3.928 3.285 4.314 . 0 0 "[ . 1 . 2]" 1
147 1 9 GLN QB 1 10 LEU H . . 3.690 2.800 2.690 2.942 . 0 0 "[ . 1 . 2]" 1
148 1 9 GLN QB 1 12 GLN QG . . 4.500 3.664 3.441 3.845 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLN QB 1 13 TYR QE . . 4.510 2.770 1.942 3.752 . 0 0 "[ . 1 . 2]" 1
150 1 9 GLN QG 1 10 LEU H . . 4.520 4.545 4.181 4.603 0.083 19 0 "[ . 1 . 2]" 1
151 1 10 LEU H 1 10 LEU HB2 . . 3.340 2.753 2.586 2.890 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU H 1 10 LEU HB3 . . 3.270 2.190 2.074 2.318 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU H 1 10 LEU QD . . 4.160 3.610 3.283 3.728 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU H 1 10 LEU HG . . 4.420 4.297 4.202 4.460 0.040 16 0 "[ . 1 . 2]" 1
155 1 10 LEU H 1 11 SER H . . 3.580 2.574 2.309 2.722 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU H 1 12 GLN H . . 5.150 3.929 3.869 4.141 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU H 1 13 TYR QD . . 5.500 4.469 3.891 5.576 0.076 19 0 "[ . 1 . 2]" 1
158 1 10 LEU H 1 13 TYR QE . . 5.500 4.698 4.051 5.461 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU HA 1 10 LEU QD . . 3.270 2.655 2.451 2.949 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU HA 1 10 LEU HG . . 3.870 3.121 2.817 3.952 0.082 11 0 "[ . 1 . 2]" 1
161 1 10 LEU HA 1 12 GLN H . . 4.460 3.409 3.297 3.501 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU HA 1 13 TYR H . . 4.680 3.870 3.287 4.287 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU HA 1 13 TYR QD . . 3.250 2.179 1.885 3.296 0.046 19 0 "[ . 1 . 2]" 1
164 1 10 LEU HA 1 13 TYR QE . . 4.100 3.623 2.456 4.118 0.018 9 0 "[ . 1 . 2]" 1
165 1 10 LEU HB2 1 11 SER H . . 4.000 4.245 4.178 4.295 0.295 6 0 "[ . 1 . 2]" 1
166 1 10 LEU HB2 1 23 TYR QB . . 3.810 4.002 3.884 4.078 0.268 2 0 "[ . 1 . 2]" 1
167 1 10 LEU HB2 1 100 VAL MG2 . . 4.830 3.413 3.218 3.685 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU HB3 1 11 SER H . . 4.290 3.070 2.932 3.194 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU HB3 1 100 VAL MG2 . . 4.740 3.790 3.520 4.082 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU QD 1 11 SER H . . 5.090 3.536 2.142 4.092 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU QD 1 13 TYR H . . 5.500 4.425 3.147 4.867 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU QD 1 13 TYR QD . . 4.310 3.597 2.961 4.148 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU QD 1 23 TYR H . . 4.790 3.750 3.260 4.151 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU QD 1 23 TYR QB . . 3.280 2.086 1.834 2.263 . 0 0 "[ . 1 . 2]" 1
175 1 10 LEU QD 1 23 TYR QD . . 3.820 3.547 3.107 3.796 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU QD 1 24 VAL H . . 5.320 3.599 3.305 4.018 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU QD 1 25 ALA H . . 4.440 3.097 2.755 3.662 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU QD 1 25 ALA MB . . 3.610 1.983 1.660 3.153 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU QD 1 51 GLY H . . 5.230 3.711 2.840 4.089 . 0 0 "[ . 1 . 2]" 1
180 1 10 LEU QD 1 51 GLY HA2 . . 4.730 2.803 1.603 3.402 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU QD 1 52 LYS H . . 4.730 3.236 2.866 3.520 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU QD 1 52 LYS HA . . 3.720 2.836 2.385 3.102 . 0 0 "[ . 1 . 2]" 1
183 1 10 LEU QD 1 53 ASP H . . 4.330 3.639 3.354 4.286 . 0 0 "[ . 1 . 2]" 1
184 1 10 LEU HG 1 11 SER H . . 4.900 3.989 3.633 4.511 . 0 0 "[ . 1 . 2]" 1
185 1 10 LEU HG 1 11 SER HA . . 4.730 3.839 3.401 5.031 0.301 16 0 "[ . 1 . 2]" 1
186 1 10 LEU HG 1 51 GLY H . . 5.030 4.434 4.005 5.317 0.287 11 0 "[ . 1 . 2]" 1
187 1 10 LEU HG 1 51 GLY HA2 . . 4.070 2.586 2.013 3.469 . 0 0 "[ . 1 . 2]" 1
188 1 10 LEU HG 1 51 GLY HA3 . . 4.330 4.047 3.466 4.840 0.510 18 2 "[ . 1- . + 2]" 1
189 1 11 SER H 1 11 SER QB . . 3.250 2.294 2.161 2.674 . 0 0 "[ . 1 . 2]" 1
190 1 11 SER H 1 12 GLN QG . . 5.100 3.274 3.142 3.546 . 0 0 "[ . 1 . 2]" 1
191 1 11 SER H 1 13 TYR H . . 4.780 4.359 4.201 4.576 . 0 0 "[ . 1 . 2]" 1
192 1 11 SER H 1 51 GLY HA2 . . 5.500 4.823 4.464 5.305 . 0 0 "[ . 1 . 2]" 1
193 1 11 SER H 1 51 GLY HA3 . . 5.390 5.030 4.595 5.510 0.120 2 0 "[ . 1 . 2]" 1
194 1 11 SER HA 1 12 GLN QG . . 4.700 4.663 4.460 4.812 0.112 18 0 "[ . 1 . 2]" 1
195 1 11 SER HA 1 13 TYR H . . 4.760 3.490 3.232 3.952 . 0 0 "[ . 1 . 2]" 1
196 1 11 SER HA 1 51 GLY HA2 . . 3.970 3.099 2.437 3.772 . 0 0 "[ . 1 . 2]" 1
197 1 11 SER HA 1 51 GLY HA3 . . 3.490 2.539 2.086 3.274 . 0 0 "[ . 1 . 2]" 1
198 1 11 SER QB 1 12 GLN H . . 4.890 3.553 3.201 4.082 . 0 0 "[ . 1 . 2]" 1
199 1 12 GLN H 1 12 GLN QB . . 3.150 2.773 2.556 3.133 . 0 0 "[ . 1 . 2]" 1
200 1 12 GLN H 1 12 GLN QG . . 3.600 1.962 1.805 2.217 . 0 0 "[ . 1 . 2]" 1
201 1 12 GLN H 1 13 TYR H . . 3.270 2.449 2.053 2.722 . 0 0 "[ . 1 . 2]" 1
202 1 12 GLN H 1 13 TYR HA . . 5.500 4.883 4.511 5.157 . 0 0 "[ . 1 . 2]" 1
203 1 12 GLN H 1 13 TYR HB2 . . 5.350 4.228 3.646 4.783 . 0 0 "[ . 1 . 2]" 1
204 1 12 GLN H 1 13 TYR QE . . 4.570 4.430 3.709 4.818 0.248 8 0 "[ . 1 . 2]" 1
205 1 12 GLN H 1 51 GLY HA3 . . 5.500 4.844 4.520 5.373 . 0 0 "[ . 1 . 2]" 1
206 1 12 GLN HA 1 12 GLN QG . . 3.530 2.913 2.533 3.320 . 0 0 "[ . 1 . 2]" 1
207 1 12 GLN HA 1 14 ASN H . . 4.400 4.102 3.811 4.492 0.092 16 0 "[ . 1 . 2]" 1
208 1 12 GLN QB 1 13 TYR H . . 4.100 3.676 2.974 4.091 . 0 0 "[ . 1 . 2]" 1
209 1 12 GLN QB 1 13 TYR QD . . 4.600 3.568 2.445 4.411 . 0 0 "[ . 1 . 2]" 1
210 1 12 GLN QB 1 13 TYR QE . . 4.720 3.441 2.288 4.460 . 0 0 "[ . 1 . 2]" 1
211 1 12 GLN QB 1 14 ASN H . . 5.500 5.201 4.844 5.385 . 0 0 "[ . 1 . 2]" 1
212 1 12 GLN QB 1 20 LYS QE . . 4.550 4.196 3.723 4.467 . 0 0 "[ . 1 . 2]" 1
213 1 12 GLN QB 1 20 LYS QG . . 4.030 3.215 2.384 3.851 . 0 0 "[ . 1 . 2]" 1
214 1 12 GLN HE21 1 13 TYR QE . . 4.700 3.712 2.312 4.909 0.209 4 0 "[ . 1 . 2]" 1
215 1 12 GLN QG 1 13 TYR H . . 4.930 3.916 3.379 4.217 . 0 0 "[ . 1 . 2]" 1
216 1 13 TYR H 1 13 TYR HB2 . . 3.530 2.609 2.493 2.728 . 0 0 "[ . 1 . 2]" 1
217 1 13 TYR H 1 13 TYR HB3 . . 4.030 3.714 3.563 3.808 . 0 0 "[ . 1 . 2]" 1
218 1 13 TYR H 1 13 TYR QD . . 3.510 3.203 2.090 3.785 0.275 9 0 "[ . 1 . 2]" 1
219 1 13 TYR H 1 14 ASN H . . 4.120 2.980 2.531 3.568 . 0 0 "[ . 1 . 2]" 1
220 1 13 TYR H 1 14 ASN HB2 . . 5.500 5.390 5.125 5.808 0.308 13 0 "[ . 1 . 2]" 1
221 1 13 TYR H 1 23 TYR QB . . 4.830 4.572 4.209 4.815 . 0 0 "[ . 1 . 2]" 1
222 1 13 TYR H 1 23 TYR QD . . 5.500 5.315 4.831 5.602 0.102 8 0 "[ . 1 . 2]" 1
223 1 13 TYR H 1 51 GLY H . . 5.500 4.959 4.483 5.570 0.070 18 0 "[ . 1 . 2]" 1
224 1 13 TYR H 1 51 GLY HA2 . . 4.750 3.686 3.282 4.474 . 0 0 "[ . 1 . 2]" 1
225 1 13 TYR H 1 51 GLY HA3 . . 4.890 3.523 2.934 4.283 . 0 0 "[ . 1 . 2]" 1
226 1 13 TYR HA 1 13 TYR QD . . 3.230 2.536 2.036 3.262 0.032 4 0 "[ . 1 . 2]" 1
227 1 13 TYR HA 1 14 ASN H . . 3.250 2.673 2.513 2.882 . 0 0 "[ . 1 . 2]" 1
228 1 13 TYR HA 1 15 GLY H . . 4.570 2.970 2.829 3.102 . 0 0 "[ . 1 . 2]" 1
229 1 13 TYR HA 1 20 LYS QB . . 4.270 2.908 1.987 3.403 . 0 0 "[ . 1 . 2]" 1
230 1 13 TYR HA 1 20 LYS QG . . 4.740 3.853 3.413 4.628 . 0 0 "[ . 1 . 2]" 1
231 1 13 TYR HA 1 22 ILE HA . . 4.720 3.622 3.353 4.065 . 0 0 "[ . 1 . 2]" 1
232 1 13 TYR HA 1 23 TYR H . . 5.040 4.281 4.068 4.689 . 0 0 "[ . 1 . 2]" 1
233 1 13 TYR HB2 1 22 ILE HA . . 4.550 3.634 3.117 4.201 . 0 0 "[ . 1 . 2]" 1
234 1 13 TYR HB2 1 23 TYR H . . 4.000 2.531 1.926 2.961 . 0 0 "[ . 1 . 2]" 1
235 1 13 TYR HB2 1 23 TYR QB . . 3.810 2.371 2.144 2.617 . 0 0 "[ . 1 . 2]" 1
236 1 13 TYR HB2 1 23 TYR QD . . 4.350 3.274 2.800 3.742 . 0 0 "[ . 1 . 2]" 1
237 1 13 TYR HB3 1 21 PRO HB2 . . 4.300 4.091 3.143 4.474 0.174 4 0 "[ . 1 . 2]" 1
238 1 13 TYR HB3 1 22 ILE HA . . 4.040 2.536 1.982 3.188 . 0 0 "[ . 1 . 2]" 1
239 1 13 TYR HB3 1 23 TYR H . . 3.770 2.454 2.062 3.127 . 0 0 "[ . 1 . 2]" 1
240 1 13 TYR HB3 1 23 TYR QB . . 3.820 3.079 2.334 3.770 . 0 0 "[ . 1 . 2]" 1
241 1 13 TYR HB3 1 23 TYR QD . . 4.490 3.476 2.555 4.194 . 0 0 "[ . 1 . 2]" 1
242 1 13 TYR QD 1 20 LYS HA . . 3.870 3.379 2.999 3.724 . 0 0 "[ . 1 . 2]" 1
243 1 13 TYR QD 1 20 LYS QB . . 3.480 2.766 2.088 3.215 . 0 0 "[ . 1 . 2]" 1
244 1 13 TYR QD 1 20 LYS QD . . 4.190 3.934 1.952 4.460 0.270 16 0 "[ . 1 . 2]" 1
245 1 13 TYR QD 1 20 LYS QG . . 5.000 2.710 2.204 4.044 . 0 0 "[ . 1 . 2]" 1
246 1 13 TYR QD 1 21 PRO HB3 . . 4.720 5.040 4.791 5.403 0.683 19 3 "[ . 1 -* . +2]" 1
247 1 13 TYR QD 1 21 PRO HD2 . . 3.620 1.937 1.779 2.553 . 0 0 "[ . 1 . 2]" 1
248 1 13 TYR QD 1 21 PRO HD3 . . 4.200 3.552 3.423 3.823 . 0 0 "[ . 1 . 2]" 1
249 1 13 TYR QD 1 21 PRO HG2 . . 3.730 3.188 2.887 3.348 . 0 0 "[ . 1 . 2]" 1
250 1 13 TYR QD 1 21 PRO HG3 . . 4.440 4.366 4.181 4.469 0.029 2 0 "[ . 1 . 2]" 1
251 1 13 TYR QD 1 23 TYR H . . 4.720 4.228 3.593 4.548 . 0 0 "[ . 1 . 2]" 1
252 1 13 TYR QD 1 23 TYR QB . . 4.690 2.995 2.186 3.956 . 0 0 "[ . 1 . 2]" 1
253 1 13 TYR QD 1 23 TYR QD . . 4.240 2.445 1.960 3.334 . 0 0 "[ . 1 . 2]" 1
254 1 13 TYR QE 1 20 LYS QB . . 3.910 3.957 3.757 4.125 0.215 11 0 "[ . 1 . 2]" 1
255 1 13 TYR QE 1 20 LYS QE . . 4.340 2.164 1.946 3.252 . 0 0 "[ . 1 . 2]" 1
256 1 13 TYR QE 1 20 LYS QG . . 4.090 2.428 1.970 3.923 . 0 0 "[ . 1 . 2]" 1
257 1 13 TYR QE 1 21 PRO HD2 . . 3.460 2.131 1.942 3.436 . 0 0 "[ . 1 . 2]" 1
258 1 13 TYR QE 1 21 PRO HD3 . . 4.110 3.251 3.081 4.200 0.090 13 0 "[ . 1 . 2]" 1
259 1 13 TYR QE 1 21 PRO HG2 . . 4.130 3.502 3.218 3.943 . 0 0 "[ . 1 . 2]" 1
260 1 13 TYR QE 1 21 PRO HG3 . . 4.470 4.220 3.925 4.693 0.223 19 0 "[ . 1 . 2]" 1
261 1 13 TYR QE 1 23 TYR QE . . 4.380 3.557 3.209 3.932 . 0 0 "[ . 1 . 2]" 1
262 1 14 ASN H 1 14 ASN HB2 . . 4.090 3.668 3.532 3.784 . 0 0 "[ . 1 . 2]" 1
263 1 14 ASN H 1 14 ASN HB3 . . 3.610 2.627 2.286 2.903 . 0 0 "[ . 1 . 2]" 1
264 1 14 ASN H 1 14 ASN HD21 . . 4.220 2.790 1.846 4.258 0.038 20 0 "[ . 1 . 2]" 1
265 1 14 ASN H 1 15 GLY H . . 3.540 2.384 2.108 2.743 . 0 0 "[ . 1 . 2]" 1
266 1 14 ASN H 1 16 THR MG . . 5.390 4.502 3.095 4.896 . 0 0 "[ . 1 . 2]" 1
267 1 14 ASN H 1 22 ILE MG . . 5.200 4.789 4.292 5.245 0.045 18 0 "[ . 1 . 2]" 1
268 1 14 ASN H 1 50 ALA MB . . 4.980 4.308 4.193 4.552 . 0 0 "[ . 1 . 2]" 1
269 1 14 ASN H 1 51 GLY HA2 . . 5.380 4.832 4.419 5.462 0.082 11 0 "[ . 1 . 2]" 1
270 1 14 ASN H 1 51 GLY HA3 . . 4.790 3.899 3.268 4.446 . 0 0 "[ . 1 . 2]" 1
271 1 14 ASN HA 1 14 ASN HD21 . . 4.330 4.001 3.720 4.438 0.108 2 0 "[ . 1 . 2]" 1
272 1 14 ASN HA 1 15 GLY HA3 . . 4.400 4.495 4.463 4.524 0.124 10 0 "[ . 1 . 2]" 1
273 1 14 ASN HA 1 22 ILE MG . . 4.080 2.958 2.352 3.618 . 0 0 "[ . 1 . 2]" 1
274 1 14 ASN HA 1 50 ALA H . . 5.460 5.091 4.683 5.391 . 0 0 "[ . 1 . 2]" 1
275 1 14 ASN HA 1 50 ALA HA . . 4.650 3.117 2.935 3.300 . 0 0 "[ . 1 . 2]" 1
276 1 14 ASN HA 1 50 ALA MB . . 3.000 2.163 1.919 2.754 . 0 0 "[ . 1 . 2]" 1
277 1 14 ASN HA 1 51 GLY H . . 4.450 2.605 2.215 3.165 . 0 0 "[ . 1 . 2]" 1
278 1 14 ASN HA 1 51 GLY HA2 . . 4.410 3.754 3.170 4.282 . 0 0 "[ . 1 . 2]" 1
279 1 14 ASN HA 1 51 GLY HA3 . . 3.950 3.201 2.435 3.680 . 0 0 "[ . 1 . 2]" 1
280 1 14 ASN HB2 1 14 ASN HD21 . . 3.660 3.172 2.280 3.568 . 0 0 "[ . 1 . 2]" 1
281 1 14 ASN HB2 1 15 GLY H . . 5.500 4.601 4.543 4.668 . 0 0 "[ . 1 . 2]" 1
282 1 14 ASN HB2 1 50 ALA MB . . 3.930 1.977 1.783 2.730 . 0 0 "[ . 1 . 2]" 1
283 1 14 ASN HB2 1 51 GLY HA2 . . 4.510 4.466 3.955 4.652 0.142 2 0 "[ . 1 . 2]" 1
284 1 14 ASN HB2 1 51 GLY HA3 . . 3.970 3.122 2.513 3.420 . 0 0 "[ . 1 . 2]" 1
285 1 14 ASN HB3 1 15 GLY H . . 5.330 4.379 4.202 4.596 . 0 0 "[ . 1 . 2]" 1
286 1 14 ASN HB3 1 50 ALA MB . . 4.190 3.339 3.050 3.980 . 0 0 "[ . 1 . 2]" 1
287 1 14 ASN HB3 1 51 GLY H . . 5.370 3.861 3.382 4.302 . 0 0 "[ . 1 . 2]" 1
288 1 14 ASN HB3 1 51 GLY HA2 . . 4.280 3.761 3.408 4.156 . 0 0 "[ . 1 . 2]" 1
289 1 14 ASN HB3 1 51 GLY HA3 . . 3.740 2.201 1.967 2.652 . 0 0 "[ . 1 . 2]" 1
290 1 14 ASN HD21 1 50 ALA MB . . 4.350 4.036 2.498 4.607 0.257 16 0 "[ . 1 . 2]" 1
291 1 14 ASN HD22 1 16 THR HB . . 5.500 2.579 1.924 4.298 . 0 0 "[ . 1 . 2]" 1
292 1 14 ASN HD22 1 16 THR MG . . 4.040 2.890 1.745 4.060 0.020 3 0 "[ . 1 . 2]" 1
293 1 15 GLY H 1 16 THR H . . 3.720 3.280 2.439 3.603 . 0 0 "[ . 1 . 2]" 1
294 1 15 GLY H 1 16 THR MG . . 5.430 4.719 3.574 5.176 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLY H 1 17 ASP H . . 4.980 4.300 3.819 4.896 . 0 0 "[ . 1 . 2]" 1
296 1 15 GLY H 1 22 ILE HA . . 4.690 3.468 2.992 3.876 . 0 0 "[ . 1 . 2]" 1
297 1 15 GLY H 1 22 ILE MD . . 4.950 4.561 4.218 4.890 . 0 0 "[ . 1 . 2]" 1
298 1 15 GLY H 1 22 ILE HG12 . . 4.740 3.527 3.115 3.846 . 0 0 "[ . 1 . 2]" 1
299 1 15 GLY H 1 22 ILE HG13 . . 5.050 3.182 2.736 3.744 . 0 0 "[ . 1 . 2]" 1
300 1 15 GLY H 1 22 ILE MG . . 3.880 3.723 3.421 3.929 0.049 10 0 "[ . 1 . 2]" 1
301 1 15 GLY H 1 50 ALA MB . . 4.780 4.106 3.543 4.476 . 0 0 "[ . 1 . 2]" 1
302 1 15 GLY HA2 1 16 THR H . . 3.280 2.336 2.224 2.830 . 0 0 "[ . 1 . 2]" 1
303 1 15 GLY HA2 1 22 ILE MD . . 4.130 3.508 3.077 3.941 . 0 0 "[ . 1 . 2]" 1
304 1 15 GLY HA2 1 22 ILE HG12 . . 3.830 2.940 2.333 3.252 . 0 0 "[ . 1 . 2]" 1
305 1 15 GLY HA2 1 22 ILE HG13 . . 4.650 2.864 2.351 3.228 . 0 0 "[ . 1 . 2]" 1
306 1 15 GLY HA2 1 22 ILE MG . . 4.420 4.161 3.528 4.500 0.080 7 0 "[ . 1 . 2]" 1
307 1 15 GLY HA3 1 22 ILE MD . . 4.020 3.693 2.797 4.106 0.086 15 0 "[ . 1 . 2]" 1
308 1 15 GLY HA3 1 22 ILE HG12 . . 3.670 2.584 1.991 3.211 . 0 0 "[ . 1 . 2]" 1
309 1 15 GLY HA3 1 22 ILE HG13 . . 4.520 3.450 2.552 4.349 . 0 0 "[ . 1 . 2]" 1
310 1 16 THR H 1 16 THR HB . . 3.830 3.187 2.472 3.775 . 0 0 "[ . 1 . 2]" 1
311 1 16 THR H 1 16 THR MG . . 3.510 3.274 2.344 3.553 0.043 16 0 "[ . 1 . 2]" 1
312 1 16 THR H 1 17 ASP H . . 3.340 2.011 1.876 2.296 . 0 0 "[ . 1 . 2]" 1
313 1 16 THR H 1 17 ASP HB2 . . 5.430 3.809 3.579 4.283 . 0 0 "[ . 1 . 2]" 1
314 1 16 THR H 1 17 ASP HB3 . . 5.060 4.804 4.348 5.202 0.142 7 0 "[ . 1 . 2]" 1
315 1 16 THR HA 1 16 THR MG . . 3.050 2.970 2.174 3.198 0.148 2 0 "[ . 1 . 2]" 1
316 1 16 THR HB 1 17 ASP H . . 4.150 3.467 3.148 4.010 . 0 0 "[ . 1 . 2]" 1
317 1 16 THR MG 1 17 ASP H . . 4.840 2.472 1.932 4.144 . 0 0 "[ . 1 . 2]" 1
318 1 17 ASP H 1 17 ASP HB2 . . 3.360 2.159 2.002 2.955 . 0 0 "[ . 1 . 2]" 1
319 1 17 ASP H 1 17 ASP HB3 . . 3.570 3.270 3.046 3.549 . 0 0 "[ . 1 . 2]" 1
320 1 17 ASP H 1 18 GLU H . . 5.030 4.444 4.253 4.537 . 0 0 "[ . 1 . 2]" 1
321 1 17 ASP H 1 20 LYS H . . 5.500 4.914 4.306 5.535 0.035 4 0 "[ . 1 . 2]" 1
322 1 17 ASP H 1 20 LYS QB . . 5.500 3.275 2.546 3.685 . 0 0 "[ . 1 . 2]" 1
323 1 17 ASP HA 1 18 GLU H . . 3.240 2.872 2.760 3.045 . 0 0 "[ . 1 . 2]" 1
324 1 17 ASP HA 1 18 GLU HA . . 4.350 4.376 4.338 4.438 0.088 5 0 "[ . 1 . 2]" 1
325 1 17 ASP HB2 1 18 GLU H . . 4.870 3.393 1.943 3.637 . 0 0 "[ . 1 . 2]" 1
326 1 17 ASP HB2 1 19 SER H . . 5.270 4.910 3.596 5.313 0.043 18 0 "[ . 1 . 2]" 1
327 1 17 ASP HB2 1 20 LYS H . . 5.190 3.538 2.820 3.972 . 0 0 "[ . 1 . 2]" 1
328 1 17 ASP HB2 1 20 LYS QB . . 4.180 1.965 1.895 2.083 . 0 0 "[ . 1 . 2]" 1
329 1 17 ASP HB2 1 20 LYS QG . . 4.720 3.165 2.108 3.926 . 0 0 "[ . 1 . 2]" 1
330 1 17 ASP HB3 1 18 GLU H . . 5.340 2.002 1.889 2.237 . 0 0 "[ . 1 . 2]" 1
331 1 17 ASP HB3 1 18 GLU HA . . 5.220 4.277 4.053 4.824 . 0 0 "[ . 1 . 2]" 1
332 1 17 ASP HB3 1 18 GLU HB2 . . 4.050 3.925 3.411 4.219 0.169 7 0 "[ . 1 . 2]" 1
333 1 17 ASP HB3 1 19 SER H . . 4.910 3.519 2.918 5.321 0.411 7 0 "[ . 1 . 2]" 1
334 1 17 ASP HB3 1 20 LYS H . . 4.480 2.727 2.187 4.542 0.062 7 0 "[ . 1 . 2]" 1
335 1 17 ASP HB3 1 20 LYS QB . . 4.100 2.114 1.965 3.373 . 0 0 "[ . 1 . 2]" 1
336 1 17 ASP HB3 1 20 LYS QG . . 4.140 3.530 2.076 4.126 . 0 0 "[ . 1 . 2]" 1
337 1 18 GLU H 1 18 GLU HB3 . . 3.850 3.487 3.403 3.555 . 0 0 "[ . 1 . 2]" 1
338 1 18 GLU H 1 18 GLU QG . . 4.000 3.127 2.353 3.877 . 0 0 "[ . 1 . 2]" 1
339 1 18 GLU H 1 19 SER H . . 3.670 2.834 2.162 3.582 . 0 0 "[ . 1 . 2]" 1
340 1 18 GLU H 1 19 SER HA . . 5.500 5.078 4.747 5.472 . 0 0 "[ . 1 . 2]" 1
341 1 18 GLU H 1 20 LYS H . . 5.430 3.519 3.263 4.107 . 0 0 "[ . 1 . 2]" 1
342 1 18 GLU HA 1 18 GLU QG . . 3.810 2.125 1.991 2.442 . 0 0 "[ . 1 . 2]" 1
343 1 18 GLU HB2 1 19 SER H . . 3.500 2.387 1.976 2.826 . 0 0 "[ . 1 . 2]" 1
344 1 18 GLU HB3 1 19 SER H . . 3.370 2.643 2.054 3.281 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLU QG 1 19 SER H . . 4.850 4.126 3.866 4.548 . 0 0 "[ . 1 . 2]" 1
346 1 19 SER H 1 19 SER HB2 . . 3.590 2.339 2.096 2.551 . 0 0 "[ . 1 . 2]" 1
347 1 19 SER H 1 19 SER HB3 . . 3.830 3.463 2.942 3.672 . 0 0 "[ . 1 . 2]" 1
348 1 19 SER H 1 20 LYS H . . 3.140 2.508 2.062 3.077 . 0 0 "[ . 1 . 2]" 1
349 1 19 SER H 1 20 LYS QB . . 4.770 4.074 3.679 4.360 . 0 0 "[ . 1 . 2]" 1
350 1 19 SER HB2 1 20 LYS H . . 4.670 3.399 2.477 4.592 . 0 0 "[ . 1 . 2]" 1
351 1 19 SER HB3 1 20 LYS H . . 4.930 3.763 2.719 4.479 . 0 0 "[ . 1 . 2]" 1
352 1 20 LYS H 1 20 LYS QB . . 3.180 2.099 1.990 2.492 . 0 0 "[ . 1 . 2]" 1
353 1 20 LYS H 1 20 LYS QE . . 5.500 4.355 2.108 4.915 . 0 0 "[ . 1 . 2]" 1
354 1 20 LYS H 1 21 PRO HD2 . . 5.000 4.961 4.898 5.043 0.043 7 0 "[ . 1 . 2]" 1
355 1 20 LYS HA 1 20 LYS QE . . 3.310 3.077 2.527 3.266 . 0 0 "[ . 1 . 2]" 1
356 1 20 LYS HA 1 20 LYS QG . . 3.720 2.462 2.123 2.705 . 0 0 "[ . 1 . 2]" 1
357 1 20 LYS HA 1 21 PRO HD2 . . 3.180 2.347 2.251 2.506 . 0 0 "[ . 1 . 2]" 1
358 1 20 LYS HA 1 21 PRO HD3 . . 3.050 1.931 1.909 1.974 . 0 0 "[ . 1 . 2]" 1
359 1 20 LYS HA 1 21 PRO HG2 . . 4.130 4.398 4.351 4.489 0.359 8 0 "[ . 1 . 2]" 1
360 1 20 LYS HA 1 21 PRO HG3 . . 3.990 4.188 4.176 4.212 0.222 11 0 "[ . 1 . 2]" 1
361 1 20 LYS QB 1 21 PRO HD2 . . 3.370 3.369 2.763 3.601 0.231 4 0 "[ . 1 . 2]" 1
362 1 20 LYS QB 1 21 PRO HD3 . . 4.190 3.957 3.599 4.078 . 0 0 "[ . 1 . 2]" 1
363 1 20 LYS QE 1 20 LYS QG . . 3.070 2.018 1.954 2.099 . 0 0 "[ . 1 . 2]" 1
364 1 21 PRO HA 1 22 ILE H . . 3.040 2.566 2.313 2.785 . 0 0 "[ . 1 . 2]" 1
365 1 21 PRO HA 1 22 ILE MD . . 4.770 3.141 2.792 3.631 . 0 0 "[ . 1 . 2]" 1
366 1 21 PRO HA 1 22 ILE HG13 . . 4.360 3.503 3.071 3.788 . 0 0 "[ . 1 . 2]" 1
367 1 21 PRO HB2 1 22 ILE H . . 4.140 2.428 1.942 3.038 . 0 0 "[ . 1 . 2]" 1
368 1 21 PRO HB2 1 23 TYR QE . . 4.250 2.930 2.756 3.429 . 0 0 "[ . 1 . 2]" 1
369 1 21 PRO HB3 1 22 ILE H . . 4.010 3.290 3.098 3.574 . 0 0 "[ . 1 . 2]" 1
370 1 21 PRO HB3 1 22 ILE MD . . 5.500 4.556 4.151 5.120 . 0 0 "[ . 1 . 2]" 1
371 1 21 PRO HB3 1 23 TYR QE . . 3.820 3.973 3.811 4.348 0.528 13 2 "[ . 1 + . -2]" 1
372 1 21 PRO HG2 1 23 TYR QE . . 4.380 2.712 1.973 3.832 . 0 0 "[ . 1 . 2]" 1
373 1 21 PRO HG3 1 22 ILE H . . 5.500 5.012 4.668 5.413 . 0 0 "[ . 1 . 2]" 1
374 1 21 PRO HG3 1 23 TYR QE . . 4.490 3.693 3.144 4.403 . 0 0 "[ . 1 . 2]" 1
375 1 22 ILE H 1 22 ILE HB . . 3.620 2.611 2.488 2.758 . 0 0 "[ . 1 . 2]" 1
376 1 22 ILE H 1 22 ILE MD . . 4.530 2.514 2.204 3.377 . 0 0 "[ . 1 . 2]" 1
377 1 22 ILE H 1 22 ILE HG12 . . 4.440 4.201 3.914 4.446 0.006 4 0 "[ . 1 . 2]" 1
378 1 22 ILE H 1 22 ILE HG13 . . 3.710 3.002 2.578 3.405 . 0 0 "[ . 1 . 2]" 1
379 1 22 ILE H 1 22 ILE MG . . 4.060 3.826 3.774 3.895 . 0 0 "[ . 1 . 2]" 1
380 1 22 ILE H 1 23 TYR H . . 4.840 4.309 4.034 4.442 . 0 0 "[ . 1 . 2]" 1
381 1 22 ILE H 1 33 VAL H . . 5.400 4.646 4.136 5.187 . 0 0 "[ . 1 . 2]" 1
382 1 22 ILE H 1 33 VAL MG2 . . 5.140 4.717 4.473 4.986 . 0 0 "[ . 1 . 2]" 1
383 1 22 ILE H 1 34 THR H . . 4.470 3.992 3.396 4.523 0.053 13 0 "[ . 1 . 2]" 1
384 1 22 ILE H 1 34 THR HA . . 4.750 3.939 3.543 4.510 . 0 0 "[ . 1 . 2]" 1
385 1 22 ILE H 1 34 THR HB . . 4.120 2.257 1.879 2.914 . 0 0 "[ . 1 . 2]" 1
386 1 22 ILE H 1 34 THR MG . . 3.650 2.963 2.389 3.457 . 0 0 "[ . 1 . 2]" 1
387 1 22 ILE HA 1 22 ILE MD . . 4.510 3.692 3.546 3.857 . 0 0 "[ . 1 . 2]" 1
388 1 22 ILE HA 1 22 ILE HG12 . . 3.810 3.304 3.000 3.400 . 0 0 "[ . 1 . 2]" 1
389 1 22 ILE HA 1 22 ILE HG13 . . 3.970 2.480 2.334 2.661 . 0 0 "[ . 1 . 2]" 1
390 1 22 ILE HA 1 22 ILE MG . . 3.100 2.287 2.125 2.383 . 0 0 "[ . 1 . 2]" 1
391 1 22 ILE HA 1 23 TYR H . . 3.010 2.185 2.176 2.207 . 0 0 "[ . 1 . 2]" 1
392 1 22 ILE HA 1 33 VAL MG2 . . 4.830 4.472 4.371 4.654 . 0 0 "[ . 1 . 2]" 1
393 1 22 ILE HA 1 50 ALA MB . . 4.810 4.817 4.475 4.985 0.175 16 0 "[ . 1 . 2]" 1
394 1 22 ILE HB 1 22 ILE MD . . 3.430 2.114 1.955 2.149 . 0 0 "[ . 1 . 2]" 1
395 1 22 ILE HB 1 23 TYR H . . 5.280 4.329 4.267 4.434 . 0 0 "[ . 1 . 2]" 1
396 1 22 ILE HB 1 33 VAL H . . 5.060 3.623 3.520 3.999 . 0 0 "[ . 1 . 2]" 1
397 1 22 ILE HB 1 33 VAL MG2 . . 3.470 2.861 2.764 3.015 . 0 0 "[ . 1 . 2]" 1
398 1 22 ILE HB 1 34 THR H . . 4.770 3.276 3.112 3.544 . 0 0 "[ . 1 . 2]" 1
399 1 22 ILE HB 1 34 THR HB . . 3.520 2.774 2.651 2.902 . 0 0 "[ . 1 . 2]" 1
400 1 22 ILE HB 1 37 LYS H . . 5.500 5.377 5.263 5.541 0.041 18 0 "[ . 1 . 2]" 1
401 1 22 ILE MD 1 22 ILE MG . . 2.990 2.908 2.665 3.010 0.020 4 0 "[ . 1 . 2]" 1
402 1 22 ILE MD 1 33 VAL H . . 4.700 4.811 4.752 4.944 0.244 12 0 "[ . 1 . 2]" 1
403 1 22 ILE MD 1 34 THR H . . 5.380 3.926 3.858 4.056 . 0 0 "[ . 1 . 2]" 1
404 1 22 ILE MD 1 34 THR HA . . 4.150 1.971 1.911 2.069 . 0 0 "[ . 1 . 2]" 1
405 1 22 ILE MD 1 34 THR HB . . 3.520 2.081 1.963 2.874 . 0 0 "[ . 1 . 2]" 1
406 1 22 ILE MD 1 37 LYS H . . 4.700 3.464 3.375 3.556 . 0 0 "[ . 1 . 2]" 1
407 1 22 ILE MD 1 37 LYS HA . . 3.260 2.628 2.013 2.863 . 0 0 "[ . 1 . 2]" 1
408 1 22 ILE MD 1 37 LYS HB2 . . 3.650 1.767 1.748 1.803 . 0 0 "[ . 1 . 2]" 1
409 1 22 ILE MD 1 37 LYS HB3 . . 4.000 2.188 1.909 2.683 . 0 0 "[ . 1 . 2]" 1
410 1 22 ILE MD 1 37 LYS QD . . 4.060 2.567 2.145 3.245 . 0 0 "[ . 1 . 2]" 1
411 1 22 ILE MD 1 37 LYS HG2 . . 4.270 4.005 3.722 4.216 . 0 0 "[ . 1 . 2]" 1
412 1 22 ILE MD 1 37 LYS HG3 . . 4.070 3.690 3.496 3.842 . 0 0 "[ . 1 . 2]" 1
413 1 22 ILE MD 1 40 TYR H . . 5.170 4.889 3.853 5.145 . 0 0 "[ . 1 . 2]" 1
414 1 22 ILE MD 1 40 TYR HB2 . . 4.610 4.260 2.996 4.605 . 0 0 "[ . 1 . 2]" 1
415 1 22 ILE MD 1 41 GLY H . . 4.630 3.684 2.593 3.901 . 0 0 "[ . 1 . 2]" 1
416 1 22 ILE MD 1 41 GLY HA2 . . 3.560 3.328 2.164 3.658 0.098 20 0 "[ . 1 . 2]" 1
417 1 22 ILE MD 1 41 GLY HA3 . . 3.680 3.515 2.684 3.735 0.055 12 0 "[ . 1 . 2]" 1
418 1 22 ILE MD 1 42 SER H . . 4.850 4.850 4.246 5.007 0.157 14 0 "[ . 1 . 2]" 1
419 1 22 ILE HG13 1 34 THR HB . . 4.090 4.093 3.677 4.170 0.080 17 0 "[ . 1 . 2]" 1
420 1 22 ILE MG 1 23 TYR H . . 3.490 2.727 2.401 3.244 . 0 0 "[ . 1 . 2]" 1
421 1 22 ILE MG 1 23 TYR HA . . 4.710 3.898 3.725 4.165 . 0 0 "[ . 1 . 2]" 1
422 1 22 ILE MG 1 33 VAL MG2 . . 2.950 1.891 1.792 2.217 . 0 0 "[ . 1 . 2]" 1
423 1 22 ILE MG 1 34 THR HB . . 4.200 4.369 4.243 4.465 0.265 18 0 "[ . 1 . 2]" 1
424 1 22 ILE MG 1 37 LYS HA . . 4.740 3.627 3.112 4.093 . 0 0 "[ . 1 . 2]" 1
425 1 22 ILE MG 1 40 TYR H . . 4.460 4.340 4.045 4.492 0.032 16 0 "[ . 1 . 2]" 1
426 1 22 ILE MG 1 40 TYR HA . . 4.650 4.117 3.937 4.271 . 0 0 "[ . 1 . 2]" 1
427 1 22 ILE MG 1 40 TYR HB2 . . 3.860 3.005 2.801 3.295 . 0 0 "[ . 1 . 2]" 1
428 1 22 ILE MG 1 40 TYR HB3 . . 3.660 1.891 1.757 2.045 . 0 0 "[ . 1 . 2]" 1
429 1 22 ILE MG 1 40 TYR QD . . 4.400 3.036 2.877 3.254 . 0 0 "[ . 1 . 2]" 1
430 1 22 ILE MG 1 41 GLY H . . 5.500 3.629 3.106 4.014 . 0 0 "[ . 1 . 2]" 1
431 1 22 ILE MG 1 41 GLY HA2 . . 4.560 3.083 2.449 3.660 . 0 0 "[ . 1 . 2]" 1
432 1 22 ILE MG 1 41 GLY HA3 . . 4.830 4.266 3.744 4.887 0.057 4 0 "[ . 1 . 2]" 1
433 1 22 ILE MG 1 50 ALA HA . . 3.920 3.179 2.768 3.446 . 0 0 "[ . 1 . 2]" 1
434 1 22 ILE MG 1 50 ALA MB . . 3.000 2.830 2.614 3.031 0.031 13 0 "[ . 1 . 2]" 1
435 1 22 ILE MG 1 51 GLY H . . 4.470 3.477 3.000 3.844 . 0 0 "[ . 1 . 2]" 1
436 1 23 TYR H 1 23 TYR QB . . 3.540 2.389 2.236 2.440 . 0 0 "[ . 1 . 2]" 1
437 1 23 TYR H 1 23 TYR QD . . 4.850 3.584 3.449 3.702 . 0 0 "[ . 1 . 2]" 1
438 1 23 TYR H 1 30 VAL QG . . 5.500 4.800 4.643 5.002 . 0 0 "[ . 1 . 2]" 1
439 1 23 TYR H 1 33 VAL MG2 . . 5.140 4.456 4.176 4.642 . 0 0 "[ . 1 . 2]" 1
440 1 23 TYR H 1 50 ALA MB . . 5.030 5.074 4.905 5.166 0.136 19 0 "[ . 1 . 2]" 1
441 1 23 TYR H 1 51 GLY H . . 4.920 3.673 3.244 3.894 . 0 0 "[ . 1 . 2]" 1
442 1 23 TYR H 1 51 GLY HA2 . . 5.270 4.212 3.734 4.470 . 0 0 "[ . 1 . 2]" 1
443 1 23 TYR HA 1 23 TYR QD . . 3.180 1.946 1.835 2.110 . 0 0 "[ . 1 . 2]" 1
444 1 23 TYR HA 1 24 VAL H . . 3.020 2.225 2.201 2.276 . 0 0 "[ . 1 . 2]" 1
445 1 23 TYR HA 1 24 VAL HA . . 4.760 4.378 4.370 4.393 . 0 0 "[ . 1 . 2]" 1
446 1 23 TYR HA 1 30 VAL QG . . 4.120 3.449 3.323 3.694 . 0 0 "[ . 1 . 2]" 1
447 1 23 TYR HA 1 32 ASP HA . . 3.850 2.757 2.435 3.058 . 0 0 "[ . 1 . 2]" 1
448 1 23 TYR HA 1 33 VAL H . . 3.870 3.476 3.288 3.703 . 0 0 "[ . 1 . 2]" 1
449 1 23 TYR HA 1 33 VAL MG1 . . 4.610 4.171 3.934 4.341 . 0 0 "[ . 1 . 2]" 1
450 1 23 TYR HA 1 33 VAL MG2 . . 4.050 3.730 3.374 3.912 . 0 0 "[ . 1 . 2]" 1
451 1 23 TYR QB 1 24 VAL H . . 3.730 3.197 2.997 3.321 . 0 0 "[ . 1 . 2]" 1
452 1 23 TYR QB 1 24 VAL HA . . 4.690 4.179 4.101 4.240 . 0 0 "[ . 1 . 2]" 1
453 1 23 TYR QB 1 30 VAL QG . . 3.070 1.927 1.767 2.162 . 0 0 "[ . 1 . 2]" 1
454 1 23 TYR QB 1 51 GLY H . . 5.140 4.608 4.406 4.753 . 0 0 "[ . 1 . 2]" 1
455 1 23 TYR QB 1 51 GLY HA2 . . 4.300 4.184 3.813 4.380 0.080 10 0 "[ . 1 . 2]" 1
456 1 23 TYR QD 1 30 VAL QG . . 3.950 3.035 2.462 3.242 . 0 0 "[ . 1 . 2]" 1
457 1 23 TYR QD 1 32 ASP HA . . 3.230 2.376 2.140 2.731 . 0 0 "[ . 1 . 2]" 1
458 1 23 TYR QD 1 33 VAL H . . 4.220 3.710 3.422 4.175 . 0 0 "[ . 1 . 2]" 1
459 1 23 TYR QD 1 34 THR H . . 5.500 4.513 4.230 5.031 . 0 0 "[ . 1 . 2]" 1
460 1 23 TYR QD 1 97 VAL QG . . 4.410 2.865 2.228 3.202 . 0 0 "[ . 1 . 2]" 1
461 1 23 TYR QE 1 30 VAL QG . . 4.620 4.101 3.528 4.324 . 0 0 "[ . 1 . 2]" 1
462 1 23 TYR QE 1 32 ASP HA . . 4.150 3.763 3.442 3.942 . 0 0 "[ . 1 . 2]" 1
463 1 23 TYR QE 1 32 ASP HB2 . . 3.830 3.213 2.833 4.528 0.698 6 3 "[ .+ - 1 * 2]" 1
464 1 23 TYR QE 1 32 ASP HB3 . . 4.590 4.563 4.005 4.785 0.195 20 0 "[ . 1 . 2]" 1
465 1 23 TYR QE 1 33 VAL H . . 5.390 5.079 4.693 5.356 . 0 0 "[ . 1 . 2]" 1
466 1 23 TYR QE 1 97 VAL QG . . 3.730 2.307 1.763 2.609 . 0 0 "[ . 1 . 2]" 1
467 1 24 VAL H 1 24 VAL HB . . 3.560 2.671 2.524 3.678 0.118 12 0 "[ . 1 . 2]" 1
468 1 24 VAL H 1 24 VAL QG . . 4.040 2.318 1.752 2.617 . 0 0 "[ . 1 . 2]" 1
469 1 24 VAL H 1 25 ALA H . . 5.250 4.510 4.473 4.549 . 0 0 "[ . 1 . 2]" 1
470 1 24 VAL H 1 30 VAL HA . . 5.000 4.201 4.015 4.385 . 0 0 "[ . 1 . 2]" 1
471 1 24 VAL H 1 30 VAL QG . . 4.260 3.296 3.133 3.420 . 0 0 "[ . 1 . 2]" 1
472 1 24 VAL H 1 31 PHE H . . 4.120 2.648 2.368 2.925 . 0 0 "[ . 1 . 2]" 1
473 1 24 VAL H 1 31 PHE HB2 . . 4.780 3.384 3.168 3.690 . 0 0 "[ . 1 . 2]" 1
474 1 24 VAL H 1 31 PHE QD . . 5.240 4.991 4.759 5.285 0.045 9 0 "[ . 1 . 2]" 1
475 1 24 VAL H 1 32 ASP HA . . 5.020 3.684 3.431 3.872 . 0 0 "[ . 1 . 2]" 1
476 1 24 VAL H 1 33 VAL MG1 . . 4.110 3.351 3.133 3.569 . 0 0 "[ . 1 . 2]" 1
477 1 24 VAL H 1 33 VAL MG2 . . 4.170 3.868 3.517 4.101 . 0 0 "[ . 1 . 2]" 1
478 1 24 VAL H 1 90 PHE QE . . 5.500 5.340 5.042 5.573 0.073 19 0 "[ . 1 . 2]" 1
479 1 24 VAL HA 1 24 VAL QG . . 3.240 2.168 2.074 2.611 . 0 0 "[ . 1 . 2]" 1
480 1 24 VAL HA 1 25 ALA H . . 2.960 2.394 2.311 2.631 . 0 0 "[ . 1 . 2]" 1
481 1 24 VAL HA 1 25 ALA MB . . 4.650 3.878 3.828 3.897 . 0 0 "[ . 1 . 2]" 1
482 1 24 VAL HA 1 33 VAL MG1 . . 4.790 4.715 4.472 4.863 0.073 8 0 "[ . 1 . 2]" 1
483 1 24 VAL HA 1 51 GLY H . . 4.220 3.474 3.187 3.721 . 0 0 "[ . 1 . 2]" 1
484 1 24 VAL HA 1 52 LYS H . . 3.880 3.225 2.876 3.471 . 0 0 "[ . 1 . 2]" 1
485 1 24 VAL HA 1 53 ASP HA . . 4.850 4.665 4.464 5.029 0.179 11 0 "[ . 1 . 2]" 1
486 1 24 VAL HB 1 25 ALA H . . 5.010 3.655 3.193 3.892 . 0 0 "[ . 1 . 2]" 1
487 1 24 VAL HB 1 31 PHE H . . 5.440 3.531 3.243 5.225 . 0 0 "[ . 1 . 2]" 1
488 1 24 VAL HB 1 31 PHE HB2 . . 4.820 2.767 2.365 4.940 0.120 12 0 "[ . 1 . 2]" 1
489 1 24 VAL HB 1 33 VAL MG1 . . 3.470 2.798 2.548 3.915 0.445 12 0 "[ . 1 . 2]" 1
490 1 24 VAL HB 1 33 VAL MG2 . . 3.850 3.830 3.689 3.950 0.100 12 0 "[ . 1 . 2]" 1
491 1 24 VAL HB 1 90 PHE QE . . 3.710 2.968 2.679 3.956 0.246 12 0 "[ . 1 . 2]" 1
492 1 24 VAL QG 1 25 ALA H . . 3.460 1.957 1.707 2.665 . 0 0 "[ . 1 . 2]" 1
493 1 24 VAL QG 1 26 ILE HG12 . . 4.620 3.606 2.557 4.142 . 0 0 "[ . 1 . 2]" 1
494 1 24 VAL QG 1 26 ILE HG13 . . 4.250 2.750 2.410 3.107 . 0 0 "[ . 1 . 2]" 1
495 1 24 VAL QG 1 33 VAL MG1 . . 3.760 1.833 1.615 2.033 . 0 0 "[ . 1 . 2]" 1
496 1 24 VAL QG 1 49 PHE H . . 5.450 4.812 4.634 5.396 . 0 0 "[ . 1 . 2]" 1
497 1 24 VAL QG 1 49 PHE HB2 . . 4.040 3.228 3.058 3.701 . 0 0 "[ . 1 . 2]" 1
498 1 24 VAL QG 1 49 PHE HB3 . . 3.630 2.405 2.153 3.189 . 0 0 "[ . 1 . 2]" 1
499 1 24 VAL QG 1 49 PHE QD . . 4.450 3.736 3.427 4.072 . 0 0 "[ . 1 . 2]" 1
500 1 24 VAL QG 1 50 ALA H . . 4.550 4.078 3.947 4.510 . 0 0 "[ . 1 . 2]" 1
501 1 24 VAL QG 1 50 ALA HA . . 3.190 2.868 2.640 3.073 . 0 0 "[ . 1 . 2]" 1
502 1 24 VAL QG 1 51 GLY H . . 3.970 3.405 3.039 3.653 . 0 0 "[ . 1 . 2]" 1
503 1 24 VAL QG 1 52 LYS H . . 4.410 3.382 2.881 4.127 . 0 0 "[ . 1 . 2]" 1
504 1 24 VAL QG 1 54 ALA H . . 4.390 2.989 2.715 3.369 . 0 0 "[ . 1 . 2]" 1
505 1 24 VAL QG 1 54 ALA MB . . 3.210 3.174 2.980 3.323 0.113 12 0 "[ . 1 . 2]" 1
506 1 24 VAL QG 1 90 PHE QD . . 4.580 3.430 2.598 3.768 . 0 0 "[ . 1 . 2]" 1
507 1 24 VAL QG 1 90 PHE QE . . 3.640 2.220 1.855 2.543 . 0 0 "[ . 1 . 2]" 1
508 1 24 VAL QG 1 90 PHE HZ . . 4.030 3.619 3.399 3.754 . 0 0 "[ . 1 . 2]" 1
509 1 25 ALA H 1 25 ALA MB . . 3.210 2.351 2.254 2.537 . 0 0 "[ . 1 . 2]" 1
510 1 25 ALA H 1 30 VAL HA . . 5.360 4.619 4.514 4.757 . 0 0 "[ . 1 . 2]" 1
511 1 25 ALA H 1 51 GLY H . . 5.500 5.353 4.893 5.567 0.067 8 0 "[ . 1 . 2]" 1
512 1 25 ALA H 1 52 LYS H . . 5.120 3.772 3.465 4.056 . 0 0 "[ . 1 . 2]" 1
513 1 25 ALA H 1 53 ASP HA . . 3.600 2.516 2.338 2.865 . 0 0 "[ . 1 . 2]" 1
514 1 25 ALA H 1 53 ASP HB2 . . 5.500 4.239 3.952 4.700 . 0 0 "[ . 1 . 2]" 1
515 1 25 ALA H 1 54 ALA H . . 4.590 3.659 3.486 3.944 . 0 0 "[ . 1 . 2]" 1
516 1 25 ALA HA 1 26 ILE H . . 3.030 2.243 2.211 2.342 . 0 0 "[ . 1 . 2]" 1
517 1 25 ALA HA 1 28 GLY H . . 5.500 4.547 4.435 4.728 . 0 0 "[ . 1 . 2]" 1
518 1 25 ALA HA 1 29 ARG H . . 4.930 3.859 3.725 4.034 . 0 0 "[ . 1 . 2]" 1
519 1 25 ALA HA 1 30 VAL H . . 5.450 4.422 4.309 4.558 . 0 0 "[ . 1 . 2]" 1
520 1 25 ALA HA 1 30 VAL HA . . 3.250 2.400 2.250 2.540 . 0 0 "[ . 1 . 2]" 1
521 1 25 ALA HA 1 30 VAL QG . . 4.300 3.152 3.041 3.384 . 0 0 "[ . 1 . 2]" 1
522 1 25 ALA HA 1 31 PHE H . . 3.890 3.346 3.137 3.488 . 0 0 "[ . 1 . 2]" 1
523 1 25 ALA HA 1 31 PHE QD . . 3.990 3.886 3.552 4.043 0.053 4 0 "[ . 1 . 2]" 1
524 1 25 ALA MB 1 26 ILE H . . 3.390 3.016 2.734 3.131 . 0 0 "[ . 1 . 2]" 1
525 1 25 ALA MB 1 26 ILE HA . . 4.750 3.997 3.931 4.044 . 0 0 "[ . 1 . 2]" 1
526 1 25 ALA MB 1 28 GLY H . . 3.800 3.402 3.278 3.552 . 0 0 "[ . 1 . 2]" 1
527 1 25 ALA MB 1 28 GLY HA2 . . 4.250 3.473 3.343 3.568 . 0 0 "[ . 1 . 2]" 1
528 1 25 ALA MB 1 28 GLY HA3 . . 4.570 4.942 4.813 5.045 0.475 18 0 "[ . 1 . 2]" 1
529 1 25 ALA MB 1 29 ARG H . . 4.260 3.830 3.656 3.986 . 0 0 "[ . 1 . 2]" 1
530 1 25 ALA MB 1 30 VAL H . . 5.030 4.902 4.768 5.001 . 0 0 "[ . 1 . 2]" 1
531 1 25 ALA MB 1 30 VAL HA . . 3.390 3.449 3.354 3.520 0.130 3 0 "[ . 1 . 2]" 1
532 1 25 ALA MB 1 30 VAL QG . . 3.160 2.827 2.648 3.102 . 0 0 "[ . 1 . 2]" 1
533 1 25 ALA MB 1 31 PHE H . . 4.360 4.583 4.409 4.662 0.302 16 0 "[ . 1 . 2]" 1
534 1 25 ALA MB 1 53 ASP H . . 5.240 3.184 3.078 3.344 . 0 0 "[ . 1 . 2]" 1
535 1 25 ALA MB 1 53 ASP HA . . 3.030 2.107 1.972 2.218 . 0 0 "[ . 1 . 2]" 1
536 1 25 ALA MB 1 53 ASP HB2 . . 3.220 1.958 1.808 2.406 . 0 0 "[ . 1 . 2]" 1
537 1 25 ALA MB 1 53 ASP HB3 . . 3.900 3.367 3.220 3.777 . 0 0 "[ . 1 . 2]" 1
538 1 25 ALA MB 1 54 ALA H . . 4.070 4.121 3.903 4.205 0.135 12 0 "[ . 1 . 2]" 1
539 1 26 ILE H 1 26 ILE HB . . 3.810 2.784 2.602 3.115 . 0 0 "[ . 1 . 2]" 1
540 1 26 ILE H 1 26 ILE MD . . 4.710 4.508 4.180 4.728 0.018 17 0 "[ . 1 . 2]" 1
541 1 26 ILE H 1 26 ILE HG12 . . 5.030 4.249 3.755 4.497 . 0 0 "[ . 1 . 2]" 1
542 1 26 ILE H 1 26 ILE HG13 . . 4.530 3.512 2.735 4.009 . 0 0 "[ . 1 . 2]" 1
543 1 26 ILE H 1 26 ILE MG . . 4.490 3.738 3.438 4.015 . 0 0 "[ . 1 . 2]" 1
544 1 26 ILE H 1 27 LYS H . . 5.500 3.970 3.855 4.043 . 0 0 "[ . 1 . 2]" 1
545 1 26 ILE H 1 28 GLY H . . 4.740 2.997 2.886 3.077 . 0 0 "[ . 1 . 2]" 1
546 1 26 ILE H 1 29 ARG H . . 3.740 2.139 1.966 2.349 . 0 0 "[ . 1 . 2]" 1
547 1 26 ILE H 1 29 ARG HA . . 5.500 4.213 4.034 4.362 . 0 0 "[ . 1 . 2]" 1
548 1 26 ILE H 1 29 ARG HB2 . . 5.030 4.144 3.904 4.609 . 0 0 "[ . 1 . 2]" 1
549 1 26 ILE H 1 29 ARG HB3 . . 4.880 3.304 3.108 3.593 . 0 0 "[ . 1 . 2]" 1
550 1 26 ILE H 1 30 VAL HA . . 4.340 3.927 3.847 4.074 . 0 0 "[ . 1 . 2]" 1
551 1 26 ILE H 1 30 VAL QG . . 5.450 4.442 4.301 4.633 . 0 0 "[ . 1 . 2]" 1
552 1 26 ILE H 1 31 PHE H . . 5.100 4.656 4.485 4.868 . 0 0 "[ . 1 . 2]" 1
553 1 26 ILE H 1 31 PHE QD . . 4.010 3.444 3.125 3.827 . 0 0 "[ . 1 . 2]" 1
554 1 26 ILE H 1 31 PHE QE . . 4.070 3.708 3.436 4.032 . 0 0 "[ . 1 . 2]" 1
555 1 26 ILE H 1 53 ASP HA . . 4.700 4.844 4.620 4.935 0.235 14 0 "[ . 1 . 2]" 1
556 1 26 ILE HA 1 26 ILE MD . . 4.450 3.713 3.513 3.923 . 0 0 "[ . 1 . 2]" 1
557 1 26 ILE HA 1 26 ILE HG12 . . 3.650 2.343 2.067 2.811 . 0 0 "[ . 1 . 2]" 1
558 1 26 ILE HA 1 26 ILE HG13 . . 3.880 2.961 2.729 3.307 . 0 0 "[ . 1 . 2]" 1
559 1 26 ILE HA 1 26 ILE MG . . 3.290 2.568 2.273 2.803 . 0 0 "[ . 1 . 2]" 1
560 1 26 ILE HA 1 27 LYS H . . 3.220 2.181 2.176 2.186 . 0 0 "[ . 1 . 2]" 1
561 1 26 ILE HA 1 27 LYS HG2 . . 5.500 4.626 3.311 5.573 0.073 10 0 "[ . 1 . 2]" 1
562 1 26 ILE HA 1 27 LYS HG3 . . 4.710 4.532 3.460 5.514 0.804 6 9 "[ *.+** 1*- * ** 2]" 1
563 1 26 ILE HA 1 28 GLY H . . 4.780 3.433 3.355 3.498 . 0 0 "[ . 1 . 2]" 1
564 1 26 ILE HA 1 29 ARG H . . 4.880 4.068 3.924 4.208 . 0 0 "[ . 1 . 2]" 1
565 1 26 ILE HA 1 54 ALA H . . 5.500 4.486 3.742 5.204 . 0 0 "[ . 1 . 2]" 1
566 1 26 ILE HA 1 55 SER H . . 4.700 4.368 3.848 4.774 0.074 11 0 "[ . 1 . 2]" 1
567 1 26 ILE HB 1 26 ILE MD . . 3.590 2.407 2.261 2.621 . 0 0 "[ . 1 . 2]" 1
568 1 26 ILE HB 1 31 PHE QD . . 4.210 2.203 1.926 3.062 . 0 0 "[ . 1 . 2]" 1
569 1 26 ILE HB 1 31 PHE QE . . 3.190 1.886 1.840 1.931 . 0 0 "[ . 1 . 2]" 1
570 1 26 ILE HB 1 31 PHE HZ . . 4.170 4.297 4.184 4.372 0.202 5 0 "[ . 1 . 2]" 1
571 1 26 ILE MD 1 26 ILE MG . . 3.210 1.890 1.778 2.142 . 0 0 "[ . 1 . 2]" 1
572 1 26 ILE MD 1 31 PHE QD . . 4.530 2.792 1.966 3.564 . 0 0 "[ . 1 . 2]" 1
573 1 26 ILE MD 1 31 PHE QE . . 4.070 3.053 2.649 3.499 . 0 0 "[ . 1 . 2]" 1
574 1 26 ILE MD 1 83 LEU QD . . 4.250 3.282 2.448 3.689 . 0 0 "[ . 1 . 2]" 1
575 1 26 ILE MD 1 86 TRP HB2 . . 4.160 4.060 3.515 4.299 0.139 6 0 "[ . 1 . 2]" 1
576 1 26 ILE MD 1 86 TRP HB3 . . 4.410 2.771 2.216 2.934 . 0 0 "[ . 1 . 2]" 1
577 1 26 ILE MD 1 87 GLU H . . 4.810 4.073 3.682 4.414 . 0 0 "[ . 1 . 2]" 1
578 1 26 ILE MD 1 87 GLU HA . . 3.470 2.710 2.344 3.004 . 0 0 "[ . 1 . 2]" 1
579 1 26 ILE MD 1 87 GLU HB2 . . 4.490 3.776 3.289 4.144 . 0 0 "[ . 1 . 2]" 1
580 1 26 ILE MD 1 87 GLU QG . . 4.740 4.507 4.060 4.725 . 0 0 "[ . 1 . 2]" 1
581 1 26 ILE MD 1 90 PHE H . . 5.160 4.027 3.768 4.251 . 0 0 "[ . 1 . 2]" 1
582 1 26 ILE MD 1 90 PHE HB2 . . 3.730 2.515 2.188 2.768 . 0 0 "[ . 1 . 2]" 1
583 1 26 ILE MD 1 90 PHE HB3 . . 4.500 2.705 2.285 3.187 . 0 0 "[ . 1 . 2]" 1
584 1 26 ILE MD 1 90 PHE QD . . 4.160 2.223 1.829 2.694 . 0 0 "[ . 1 . 2]" 1
585 1 26 ILE MD 1 90 PHE QE . . 4.440 2.892 2.406 3.497 . 0 0 "[ . 1 . 2]" 1
586 1 26 ILE MD 1 91 GLU H . . 5.500 4.548 4.284 4.825 . 0 0 "[ . 1 . 2]" 1
587 1 26 ILE HG12 1 26 ILE MG . . 3.740 2.541 2.347 2.742 . 0 0 "[ . 1 . 2]" 1
588 1 26 ILE HG12 1 27 LYS H . . 5.500 4.285 3.816 4.973 . 0 0 "[ . 1 . 2]" 1
589 1 26 ILE HG12 1 58 LEU QD . . 3.790 2.472 2.175 2.995 . 0 0 "[ . 1 . 2]" 1
590 1 26 ILE HG13 1 31 PHE QD . . 4.540 2.864 2.023 3.471 . 0 0 "[ . 1 . 2]" 1
591 1 26 ILE HG13 1 31 PHE QE . . 4.510 4.024 3.217 4.288 . 0 0 "[ . 1 . 2]" 1
592 1 26 ILE HG13 1 58 LEU QD . . 4.150 3.286 2.795 3.695 . 0 0 "[ . 1 . 2]" 1
593 1 26 ILE MG 1 27 LYS H . . 3.890 3.070 2.872 3.270 . 0 0 "[ . 1 . 2]" 1
594 1 26 ILE MG 1 27 LYS HA . . 4.660 4.157 3.968 4.297 . 0 0 "[ . 1 . 2]" 1
595 1 26 ILE MG 1 27 LYS QB . . 3.860 3.014 2.739 3.751 . 0 0 "[ . 1 . 2]" 1
596 1 26 ILE MG 1 27 LYS QD . . 4.310 2.791 1.697 3.991 . 0 0 "[ . 1 . 2]" 1
597 1 26 ILE MG 1 27 LYS HG2 . . 3.900 2.939 1.903 3.815 . 0 0 "[ . 1 . 2]" 1
598 1 26 ILE MG 1 27 LYS HG3 . . 3.470 2.763 2.018 3.573 0.103 7 0 "[ . 1 . 2]" 1
599 1 26 ILE MG 1 31 PHE QE . . 4.090 2.349 1.882 3.444 . 0 0 "[ . 1 . 2]" 1
600 1 26 ILE MG 1 83 LEU QD . . 2.930 2.212 1.724 2.601 . 0 0 "[ . 1 . 2]" 1
601 1 26 ILE MG 1 83 LEU HG . . 4.580 4.379 3.279 4.758 0.178 14 0 "[ . 1 . 2]" 1
602 1 26 ILE MG 1 87 GLU H . . 4.340 3.364 2.913 4.110 . 0 0 "[ . 1 . 2]" 1
603 1 26 ILE MG 1 87 GLU HA . . 3.710 2.221 1.824 2.693 . 0 0 "[ . 1 . 2]" 1
604 1 26 ILE MG 1 87 GLU HB2 . . 3.580 2.040 1.783 2.512 . 0 0 "[ . 1 . 2]" 1
605 1 26 ILE MG 1 87 GLU HB3 . . 4.320 3.249 2.964 3.596 . 0 0 "[ . 1 . 2]" 1
606 1 26 ILE MG 1 87 GLU QG . . 4.460 3.204 2.402 4.151 . 0 0 "[ . 1 . 2]" 1
607 1 27 LYS H 1 27 LYS QD . . 5.110 3.626 2.894 3.992 . 0 0 "[ . 1 . 2]" 1
608 1 27 LYS H 1 27 LYS HG2 . . 4.590 3.369 2.575 4.124 . 0 0 "[ . 1 . 2]" 1
609 1 27 LYS H 1 27 LYS HG3 . . 4.240 3.404 2.339 4.413 0.173 7 0 "[ . 1 . 2]" 1
610 1 27 LYS H 1 28 GLY H . . 4.230 2.577 2.501 2.674 . 0 0 "[ . 1 . 2]" 1
611 1 27 LYS H 1 28 GLY HA2 . . 5.500 4.796 4.703 4.935 . 0 0 "[ . 1 . 2]" 1
612 1 27 LYS H 1 55 SER H . . 5.370 4.749 4.273 5.435 0.065 7 0 "[ . 1 . 2]" 1
613 1 27 LYS H 1 55 SER QB . . 4.780 2.855 1.920 4.220 . 0 0 "[ . 1 . 2]" 1
614 1 27 LYS H 1 83 LEU QD . . 5.220 3.266 2.955 3.621 . 0 0 "[ . 1 . 2]" 1
615 1 27 LYS HA 1 27 LYS HG2 . . 3.530 2.933 2.665 3.082 . 0 0 "[ . 1 . 2]" 1
616 1 27 LYS HA 1 27 LYS HG3 . . 3.740 3.150 2.479 3.882 0.142 20 0 "[ . 1 . 2]" 1
617 1 27 LYS HA 1 28 GLY H . . 3.590 3.148 3.084 3.199 . 0 0 "[ . 1 . 2]" 1
618 1 27 LYS HA 1 83 LEU QD . . 4.450 3.637 3.204 4.075 . 0 0 "[ . 1 . 2]" 1
619 1 27 LYS QB 1 27 LYS QD . . 2.730 2.360 2.025 2.727 . 0 0 "[ . 1 . 2]" 1
620 1 27 LYS QB 1 27 LYS QE . . 4.140 2.582 1.925 3.464 . 0 0 "[ . 1 . 2]" 1
621 1 27 LYS QB 1 29 ARG H . . 5.380 3.682 3.502 3.838 . 0 0 "[ . 1 . 2]" 1
622 1 27 LYS QD 1 28 GLY H . . 5.200 4.992 4.650 5.165 . 0 0 "[ . 1 . 2]" 1
623 1 27 LYS QD 1 83 LEU QD . . 3.800 1.829 1.594 2.502 . 0 0 "[ . 1 . 2]" 1
624 1 27 LYS QE 1 83 LEU QD . . 4.200 2.720 1.696 3.547 . 0 0 "[ . 1 . 2]" 1
625 1 27 LYS HG2 1 83 LEU QD . . 3.690 2.045 1.746 2.758 . 0 0 "[ . 1 . 2]" 1
626 1 27 LYS HG3 1 83 LEU QD . . 3.700 2.299 1.841 3.387 . 0 0 "[ . 1 . 2]" 1
627 1 28 GLY H 1 29 ARG HB2 . . 5.330 4.599 4.422 5.287 . 0 0 "[ . 1 . 2]" 1
628 1 28 GLY H 1 100 VAL HB . . 5.150 3.898 3.806 4.076 . 0 0 "[ . 1 . 2]" 1
629 1 28 GLY H 1 100 VAL MG2 . . 4.980 4.017 3.913 4.211 . 0 0 "[ . 1 . 2]" 1
630 1 28 GLY HA2 1 100 VAL H . . 4.320 3.833 3.664 4.097 . 0 0 "[ . 1 . 2]" 1
631 1 28 GLY HA2 1 100 VAL HB . . 3.660 1.986 1.877 2.138 . 0 0 "[ . 1 . 2]" 1
632 1 28 GLY HA2 1 100 VAL MG1 . . 4.740 2.712 2.150 2.883 . 0 0 "[ . 1 . 2]" 1
633 1 28 GLY HA2 1 100 VAL MG2 . . 3.880 3.165 2.966 3.388 . 0 0 "[ . 1 . 2]" 1
634 1 28 GLY HA3 1 29 ARG HA . . 4.780 4.462 4.441 4.473 . 0 0 "[ . 1 . 2]" 1
635 1 28 GLY HA3 1 100 VAL H . . 4.420 4.355 4.129 4.559 0.139 20 0 "[ . 1 . 2]" 1
636 1 28 GLY HA3 1 100 VAL HB . . 3.870 3.088 2.988 3.191 . 0 0 "[ . 1 . 2]" 1
637 1 28 GLY HA3 1 100 VAL MG2 . . 4.230 4.413 4.270 4.614 0.384 19 0 "[ . 1 . 2]" 1
638 1 29 ARG H 1 29 ARG HB2 . . 3.530 2.677 2.530 3.345 . 0 0 "[ . 1 . 2]" 1
639 1 29 ARG H 1 29 ARG HB3 . . 3.690 2.807 2.363 2.996 . 0 0 "[ . 1 . 2]" 1
640 1 29 ARG H 1 29 ARG HD2 . . 5.330 4.896 4.800 5.066 . 0 0 "[ . 1 . 2]" 1
641 1 29 ARG H 1 29 ARG QG . . 4.530 4.013 3.657 4.053 . 0 0 "[ . 1 . 2]" 1
642 1 29 ARG H 1 30 VAL QG . . 5.360 4.736 4.567 4.904 . 0 0 "[ . 1 . 2]" 1
643 1 29 ARG H 1 31 PHE QE . . 4.760 4.270 3.867 4.554 . 0 0 "[ . 1 . 2]" 1
644 1 29 ARG H 1 99 ARG HA . . 5.350 4.896 4.731 5.464 0.114 19 0 "[ . 1 . 2]" 1
645 1 29 ARG H 1 100 VAL MG2 . . 4.920 3.704 3.612 3.905 . 0 0 "[ . 1 . 2]" 1
646 1 29 ARG HA 1 29 ARG QG . . 3.720 2.312 2.197 2.742 . 0 0 "[ . 1 . 2]" 1
647 1 29 ARG HA 1 30 VAL H . . 3.010 2.251 2.236 2.272 . 0 0 "[ . 1 . 2]" 1
648 1 29 ARG HA 1 30 VAL HB . . 4.420 4.461 4.373 4.566 0.146 12 0 "[ . 1 . 2]" 1
649 1 29 ARG HA 1 30 VAL QG . . 3.940 3.785 3.530 3.918 . 0 0 "[ . 1 . 2]" 1
650 1 29 ARG HA 1 96 VAL QG . . 4.270 4.079 3.797 4.213 . 0 0 "[ . 1 . 2]" 1
651 1 29 ARG HA 1 99 ARG HA . . 3.290 2.096 1.895 2.788 . 0 0 "[ . 1 . 2]" 1
652 1 29 ARG HA 1 99 ARG QB . . 4.370 2.642 2.311 4.185 . 0 0 "[ . 1 . 2]" 1
653 1 29 ARG HA 1 99 ARG QD . . 4.560 3.936 2.034 4.973 0.413 1 0 "[ . 1 . 2]" 1
654 1 29 ARG HA 1 99 ARG HG3 . . 5.070 4.763 4.190 5.195 0.125 5 0 "[ . 1 . 2]" 1
655 1 29 ARG HA 1 100 VAL H . . 4.310 2.323 2.166 2.604 . 0 0 "[ . 1 . 2]" 1
656 1 29 ARG HA 1 100 VAL HB . . 3.760 3.837 3.738 3.902 0.142 16 0 "[ . 1 . 2]" 1
657 1 29 ARG HB2 1 29 ARG HD2 . . 4.100 2.692 2.597 2.854 . 0 0 "[ . 1 . 2]" 1
658 1 29 ARG HB2 1 29 ARG HD3 . . 4.220 3.807 3.657 3.903 . 0 0 "[ . 1 . 2]" 1
659 1 29 ARG HB2 1 29 ARG HE . . 4.300 3.305 2.080 3.660 . 0 0 "[ . 1 . 2]" 1
660 1 29 ARG HB2 1 31 PHE QE . . 3.980 3.829 3.263 4.415 0.435 14 0 "[ . 1 . 2]" 1
661 1 29 ARG HB2 1 96 VAL QG . . 4.630 4.324 3.674 4.500 . 0 0 "[ . 1 . 2]" 1
662 1 29 ARG HB3 1 29 ARG HD2 . . 4.210 2.290 2.162 2.727 . 0 0 "[ . 1 . 2]" 1
663 1 29 ARG HB3 1 29 ARG HD3 . . 4.210 3.308 3.041 3.848 . 0 0 "[ . 1 . 2]" 1
664 1 29 ARG HB3 1 29 ARG HE . . 4.330 4.083 3.524 4.241 . 0 0 "[ . 1 . 2]" 1
665 1 29 ARG HB3 1 30 VAL H . . 4.540 3.997 3.848 4.484 . 0 0 "[ . 1 . 2]" 1
666 1 29 ARG HB3 1 31 PHE QE . . 4.410 2.587 1.940 3.097 . 0 0 "[ . 1 . 2]" 1
667 1 29 ARG HB3 1 96 VAL QG . . 4.130 3.805 3.557 4.442 0.312 14 0 "[ . 1 . 2]" 1
668 1 29 ARG HD2 1 31 PHE QD . . 4.440 4.403 4.180 4.508 0.068 19 0 "[ . 1 . 2]" 1
669 1 29 ARG HD2 1 31 PHE HZ . . 4.770 2.023 1.949 2.371 . 0 0 "[ . 1 . 2]" 1
670 1 29 ARG HD2 1 96 VAL QG . . 4.320 3.098 2.733 3.437 . 0 0 "[ . 1 . 2]" 1
671 1 29 ARG HD3 1 31 PHE QD . . 4.410 4.161 3.620 4.417 0.007 6 0 "[ . 1 . 2]" 1
672 1 29 ARG HD3 1 31 PHE QE . . 4.690 2.826 2.302 3.450 . 0 0 "[ . 1 . 2]" 1
673 1 29 ARG HD3 1 96 VAL QG . . 3.920 1.897 1.716 2.370 . 0 0 "[ . 1 . 2]" 1
674 1 29 ARG HE 1 96 VAL QG . . 4.800 3.598 2.287 4.161 . 0 0 "[ . 1 . 2]" 1
675 1 29 ARG QG 1 30 VAL H . . 5.240 2.677 2.556 2.850 . 0 0 "[ . 1 . 2]" 1
676 1 29 ARG QG 1 30 VAL HB . . 4.440 4.358 4.238 4.501 0.061 13 0 "[ . 1 . 2]" 1
677 1 29 ARG QG 1 96 VAL QG . . 4.390 2.057 1.895 2.235 . 0 0 "[ . 1 . 2]" 1
678 1 29 ARG QG 1 100 VAL H . . 5.500 4.145 3.917 4.483 . 0 0 "[ . 1 . 2]" 1
679 1 30 VAL H 1 30 VAL HB . . 3.330 2.259 2.185 2.355 . 0 0 "[ . 1 . 2]" 1
680 1 30 VAL H 1 30 VAL QG . . 3.290 2.564 2.314 2.710 . 0 0 "[ . 1 . 2]" 1
681 1 30 VAL H 1 31 PHE H . . 5.500 4.498 4.481 4.519 . 0 0 "[ . 1 . 2]" 1
682 1 30 VAL H 1 96 VAL QG . . 4.230 3.364 2.983 3.531 . 0 0 "[ . 1 . 2]" 1
683 1 30 VAL H 1 97 VAL QG . . 5.230 4.821 4.581 5.104 . 0 0 "[ . 1 . 2]" 1
684 1 30 VAL H 1 98 GLY H . . 4.070 4.109 4.029 4.250 0.180 19 0 "[ . 1 . 2]" 1
685 1 30 VAL H 1 99 ARG H . . 5.020 4.139 3.979 4.366 . 0 0 "[ . 1 . 2]" 1
686 1 30 VAL H 1 99 ARG HA . . 3.710 1.706 1.595 1.877 . 0 0 "[ . 1 . 2]" 1
687 1 30 VAL H 1 99 ARG QB . . 4.300 3.591 3.425 4.177 . 0 0 "[ . 1 . 2]" 1
688 1 30 VAL H 1 100 VAL H . . 4.890 2.633 2.456 2.866 . 0 0 "[ . 1 . 2]" 1
689 1 30 VAL H 1 100 VAL MG2 . . 4.490 3.377 2.966 3.722 . 0 0 "[ . 1 . 2]" 1
690 1 30 VAL HA 1 30 VAL QG . . 3.310 2.056 2.010 2.184 . 0 0 "[ . 1 . 2]" 1
691 1 30 VAL HA 1 31 PHE H . . 3.080 2.186 2.183 2.197 . 0 0 "[ . 1 . 2]" 1
692 1 30 VAL HA 1 31 PHE HA . . 4.760 4.369 4.368 4.372 . 0 0 "[ . 1 . 2]" 1
693 1 30 VAL HA 1 31 PHE QD . . 4.370 4.296 3.915 4.412 0.042 12 0 "[ . 1 . 2]" 1
694 1 30 VAL HA 1 98 GLY H . . 5.340 5.428 5.025 5.545 0.205 12 0 "[ . 1 . 2]" 1
695 1 30 VAL HB 1 31 PHE H . . 5.230 4.419 4.318 4.480 . 0 0 "[ . 1 . 2]" 1
696 1 30 VAL HB 1 96 VAL QG . . 4.740 3.731 3.396 3.975 . 0 0 "[ . 1 . 2]" 1
697 1 30 VAL HB 1 97 VAL QG . . 3.710 3.175 2.773 3.570 . 0 0 "[ . 1 . 2]" 1
698 1 30 VAL HB 1 98 GLY H . . 3.670 3.174 2.672 3.327 . 0 0 "[ . 1 . 2]" 1
699 1 30 VAL HB 1 98 GLY HA3 . . 4.270 3.416 3.216 3.744 . 0 0 "[ . 1 . 2]" 1
700 1 30 VAL HB 1 99 ARG H . . 4.460 4.025 3.440 4.394 . 0 0 "[ . 1 . 2]" 1
701 1 30 VAL HB 1 100 VAL H . . 5.500 3.985 3.647 4.263 . 0 0 "[ . 1 . 2]" 1
702 1 30 VAL QG 1 31 PHE H . . 3.710 2.697 2.498 2.862 . 0 0 "[ . 1 . 2]" 1
703 1 30 VAL QG 1 31 PHE HA . . 4.620 3.646 3.476 3.797 . 0 0 "[ . 1 . 2]" 1
704 1 30 VAL QG 1 96 VAL QG . . 4.650 3.740 3.403 3.951 . 0 0 "[ . 1 . 2]" 1
705 1 30 VAL QG 1 97 VAL H . . 4.600 3.095 2.783 3.448 . 0 0 "[ . 1 . 2]" 1
706 1 30 VAL QG 1 97 VAL HB . . 4.590 4.252 4.076 4.480 . 0 0 "[ . 1 . 2]" 1
707 1 30 VAL QG 1 97 VAL QG . . 3.220 1.850 1.727 2.057 . 0 0 "[ . 1 . 2]" 1
708 1 30 VAL QG 1 98 GLY H . . 4.460 3.262 2.397 3.620 . 0 0 "[ . 1 . 2]" 1
709 1 30 VAL QG 1 98 GLY HA3 . . 4.780 3.599 3.070 3.907 . 0 0 "[ . 1 . 2]" 1
710 1 30 VAL QG 1 99 ARG H . . 4.090 3.910 3.303 4.013 . 0 0 "[ . 1 . 2]" 1
711 1 30 VAL QG 1 99 ARG HA . . 3.410 3.108 2.741 3.254 . 0 0 "[ . 1 . 2]" 1
712 1 30 VAL QG 1 100 VAL H . . 3.660 2.552 2.224 2.801 . 0 0 "[ . 1 . 2]" 1
713 1 30 VAL QG 1 100 VAL HA . . 4.300 2.514 2.225 2.675 . 0 0 "[ . 1 . 2]" 1
714 1 30 VAL QG 1 100 VAL HB . . 4.590 3.560 3.231 3.776 . 0 0 "[ . 1 . 2]" 1
715 1 30 VAL QG 1 100 VAL MG2 . . 3.070 1.697 1.588 1.863 . 0 0 "[ . 1 . 2]" 1
716 1 30 VAL QG 1 101 VAL H . . 5.500 4.318 3.686 4.556 . 0 0 "[ . 1 . 2]" 1
717 1 31 PHE H 1 31 PHE HB2 . . 3.730 2.304 2.234 2.343 . 0 0 "[ . 1 . 2]" 1
718 1 31 PHE H 1 31 PHE QD . . 3.630 3.307 3.116 3.397 . 0 0 "[ . 1 . 2]" 1
719 1 31 PHE H 1 31 PHE QE . . 4.960 5.212 5.119 5.314 0.354 1 0 "[ . 1 . 2]" 1
720 1 31 PHE H 1 32 ASP H . . 4.870 4.513 4.488 4.529 . 0 0 "[ . 1 . 2]" 1
721 1 31 PHE H 1 90 PHE QD . . 5.500 4.997 4.627 5.243 . 0 0 "[ . 1 . 2]" 1
722 1 31 PHE H 1 96 VAL HA . . 5.500 4.935 4.484 5.173 . 0 0 "[ . 1 . 2]" 1
723 1 31 PHE H 1 97 VAL QG . . 4.820 4.531 4.232 4.767 . 0 0 "[ . 1 . 2]" 1
724 1 31 PHE HA 1 31 PHE QD . . 3.930 2.482 2.381 2.779 . 0 0 "[ . 1 . 2]" 1
725 1 31 PHE HA 1 32 ASP H . . 3.570 2.356 2.273 2.510 . 0 0 "[ . 1 . 2]" 1
726 1 31 PHE HA 1 96 VAL H . . 5.500 4.722 4.272 4.934 . 0 0 "[ . 1 . 2]" 1
727 1 31 PHE HA 1 96 VAL HA . . 3.240 2.339 1.925 2.589 . 0 0 "[ . 1 . 2]" 1
728 1 31 PHE HA 1 96 VAL QG . . 4.370 3.153 2.935 3.568 . 0 0 "[ . 1 . 2]" 1
729 1 31 PHE HA 1 97 VAL QG . . 4.250 3.799 3.593 3.946 . 0 0 "[ . 1 . 2]" 1
730 1 31 PHE HA 1 98 GLY H . . 5.180 4.643 4.475 4.779 . 0 0 "[ . 1 . 2]" 1
731 1 31 PHE HB2 1 32 ASP H . . 5.180 4.056 3.828 4.205 . 0 0 "[ . 1 . 2]" 1
732 1 31 PHE HB2 1 33 VAL MG1 . . 3.730 3.462 3.360 3.614 . 0 0 "[ . 1 . 2]" 1
733 1 31 PHE HB2 1 90 PHE QD . . 4.250 2.840 2.422 3.168 . 0 0 "[ . 1 . 2]" 1
734 1 31 PHE HB2 1 90 PHE QE . . 4.830 4.130 3.891 4.352 . 0 0 "[ . 1 . 2]" 1
735 1 31 PHE HB2 1 94 TYR HB3 . . 4.590 4.000 3.689 4.175 . 0 0 "[ . 1 . 2]" 1
736 1 31 PHE HB3 1 32 ASP H . . 4.160 2.855 2.469 3.105 . 0 0 "[ . 1 . 2]" 1
737 1 31 PHE HB3 1 33 VAL MG1 . . 3.780 3.141 3.057 3.305 . 0 0 "[ . 1 . 2]" 1
738 1 31 PHE HB3 1 90 PHE QD . . 4.360 3.172 2.846 3.546 . 0 0 "[ . 1 . 2]" 1
739 1 31 PHE HB3 1 90 PHE QE . . 4.750 4.671 4.384 4.891 0.141 19 0 "[ . 1 . 2]" 1
740 1 31 PHE HB3 1 94 TYR HB3 . . 4.030 2.324 2.031 2.471 . 0 0 "[ . 1 . 2]" 1
741 1 31 PHE QD 1 32 ASP H . . 5.500 3.392 3.109 3.624 . 0 0 "[ . 1 . 2]" 1
742 1 31 PHE QD 1 90 PHE HB3 . . 4.360 3.355 2.994 3.640 . 0 0 "[ . 1 . 2]" 1
743 1 31 PHE QD 1 90 PHE QD . . 4.170 2.923 2.532 3.333 . 0 0 "[ . 1 . 2]" 1
744 1 31 PHE QD 1 90 PHE QE . . 4.790 4.678 4.345 4.867 0.077 10 0 "[ . 1 . 2]" 1
745 1 31 PHE QD 1 91 GLU HA . . 3.730 2.912 2.724 3.378 . 0 0 "[ . 1 . 2]" 1
746 1 31 PHE QD 1 94 TYR HB2 . . 3.650 3.234 2.897 3.685 0.035 6 0 "[ . 1 . 2]" 1
747 1 31 PHE QD 1 94 TYR HB3 . . 3.860 3.449 3.179 3.684 . 0 0 "[ . 1 . 2]" 1
748 1 31 PHE QD 1 96 VAL H . . 5.500 4.122 3.574 4.533 . 0 0 "[ . 1 . 2]" 1
749 1 31 PHE QD 1 96 VAL HA . . 4.420 3.193 2.806 3.519 . 0 0 "[ . 1 . 2]" 1
750 1 31 PHE QD 1 96 VAL QG . . 3.640 2.331 1.929 3.353 . 0 0 "[ . 1 . 2]" 1
751 1 31 PHE QE 1 87 GLU HA . . 4.500 3.394 2.745 4.235 . 0 0 "[ . 1 . 2]" 1
752 1 31 PHE QE 1 87 GLU QG . . 4.650 3.314 2.777 4.379 . 0 0 "[ . 1 . 2]" 1
753 1 31 PHE QE 1 90 PHE H . . 5.490 5.358 4.979 5.664 0.174 15 0 "[ . 1 . 2]" 1
754 1 31 PHE QE 1 90 PHE HB3 . . 4.390 3.710 3.521 3.947 . 0 0 "[ . 1 . 2]" 1
755 1 31 PHE QE 1 90 PHE QD . . 4.570 4.372 4.001 4.662 0.092 8 0 "[ . 1 . 2]" 1
756 1 31 PHE QE 1 91 GLU H . . 3.960 3.756 3.369 4.093 0.133 13 0 "[ . 1 . 2]" 1
757 1 31 PHE QE 1 91 GLU HA . . 3.020 1.962 1.862 2.140 . 0 0 "[ . 1 . 2]" 1
758 1 31 PHE QE 1 91 GLU QB . . 4.370 2.018 1.743 3.303 . 0 0 "[ . 1 . 2]" 1
759 1 31 PHE QE 1 91 GLU HG2 . . 4.090 3.742 1.987 4.382 0.292 6 0 "[ . 1 . 2]" 1
760 1 31 PHE QE 1 91 GLU HG3 . . 3.770 3.981 3.374 4.311 0.541 4 6 "[ +. * 1** .- * 2]" 1
761 1 31 PHE QE 1 96 VAL H . . 5.500 4.788 4.085 5.211 . 0 0 "[ . 1 . 2]" 1
762 1 31 PHE QE 1 96 VAL QG . . 3.210 2.078 1.862 2.743 . 0 0 "[ . 1 . 2]" 1
763 1 31 PHE HZ 1 87 GLU QG . . 4.330 2.572 2.042 3.687 . 0 0 "[ . 1 . 2]" 1
764 1 31 PHE HZ 1 91 GLU H . . 4.760 3.842 3.492 4.505 . 0 0 "[ . 1 . 2]" 1
765 1 31 PHE HZ 1 91 GLU HA . . 4.190 3.621 3.228 4.005 . 0 0 "[ . 1 . 2]" 1
766 1 31 PHE HZ 1 91 GLU QB . . 4.320 1.995 1.766 3.965 . 0 0 "[ . 1 . 2]" 1
767 1 31 PHE HZ 1 91 GLU HG2 . . 3.690 3.931 1.990 4.518 0.828 5 7 "[ + * -** **]" 1
768 1 31 PHE HZ 1 91 GLU HG3 . . 4.450 4.233 2.630 4.708 0.258 8 0 "[ . 1 . 2]" 1
769 1 31 PHE HZ 1 96 VAL QG . . 4.130 3.561 3.223 4.078 . 0 0 "[ . 1 . 2]" 1
770 1 32 ASP H 1 32 ASP HB3 . . 3.570 2.412 2.144 3.426 . 0 0 "[ . 1 . 2]" 1
771 1 32 ASP H 1 33 VAL MG1 . . 5.500 3.951 3.671 4.077 . 0 0 "[ . 1 . 2]" 1
772 1 32 ASP H 1 94 TYR HB3 . . 4.660 2.476 2.215 2.947 . 0 0 "[ . 1 . 2]" 1
773 1 32 ASP H 1 95 PRO HA . . 4.050 4.382 4.134 4.510 0.460 17 0 "[ . 1 . 2]" 1
774 1 32 ASP H 1 95 PRO HB2 . . 5.500 4.521 4.215 4.632 . 0 0 "[ . 1 . 2]" 1
775 1 32 ASP H 1 95 PRO HD2 . . 4.410 2.907 2.743 3.129 . 0 0 "[ . 1 . 2]" 1
776 1 32 ASP H 1 95 PRO HG2 . . 5.170 3.967 3.800 4.079 . 0 0 "[ . 1 . 2]" 1
777 1 32 ASP H 1 96 VAL HA . . 4.980 3.451 3.036 3.616 . 0 0 "[ . 1 . 2]" 1
778 1 32 ASP H 1 97 VAL QG . . 5.190 3.655 3.314 4.035 . 0 0 "[ . 1 . 2]" 1
779 1 32 ASP HA 1 33 VAL H . . 3.100 2.269 2.259 2.312 . 0 0 "[ . 1 . 2]" 1
780 1 32 ASP HA 1 33 VAL MG1 . . 4.720 3.663 3.603 3.769 . 0 0 "[ . 1 . 2]" 1
781 1 32 ASP HA 1 33 VAL MG2 . . 4.410 3.868 3.691 3.984 . 0 0 "[ . 1 . 2]" 1
782 1 32 ASP HA 1 34 THR H . . 4.540 3.447 3.392 3.572 . 0 0 "[ . 1 . 2]" 1
783 1 32 ASP HA 1 97 VAL QG . . 4.730 3.522 3.204 3.743 . 0 0 "[ . 1 . 2]" 1
784 1 32 ASP HB2 1 33 VAL H . . 4.550 4.134 4.017 4.549 . 0 0 "[ . 1 . 2]" 1
785 1 32 ASP HB2 1 34 THR H . . 5.500 4.380 4.218 4.824 . 0 0 "[ . 1 . 2]" 1
786 1 32 ASP HB2 1 95 PRO HB2 . . 4.010 3.990 3.077 4.382 0.372 14 0 "[ . 1 . 2]" 1
787 1 32 ASP HB2 1 95 PRO HD2 . . 4.210 3.289 2.306 3.518 . 0 0 "[ . 1 . 2]" 1
788 1 32 ASP HB2 1 95 PRO HD3 . . 4.850 4.842 3.808 5.072 0.222 13 0 "[ . 1 . 2]" 1
789 1 32 ASP HB2 1 95 PRO HG2 . . 4.040 2.779 1.984 3.095 . 0 0 "[ . 1 . 2]" 1
790 1 32 ASP HB2 1 97 VAL QG . . 3.370 2.430 2.096 2.907 . 0 0 "[ . 1 . 2]" 1
791 1 32 ASP HB3 1 33 VAL H . . 5.180 4.259 3.196 4.503 . 0 0 "[ . 1 . 2]" 1
792 1 32 ASP HB3 1 34 THR H . . 5.480 4.507 3.013 4.886 . 0 0 "[ . 1 . 2]" 1
793 1 32 ASP HB3 1 95 PRO HB2 . . 4.150 3.437 3.157 4.541 0.391 15 0 "[ . 1 . 2]" 1
794 1 32 ASP HB3 1 95 PRO HB3 . . 4.830 4.430 4.177 5.529 0.699 15 2 "[ .- 1 + 2]" 1
795 1 32 ASP HB3 1 95 PRO HD2 . . 3.750 2.055 1.891 2.929 . 0 0 "[ . 1 . 2]" 1
796 1 32 ASP HB3 1 95 PRO HD3 . . 4.350 3.589 3.448 4.374 0.024 6 0 "[ . 1 . 2]" 1
797 1 32 ASP HB3 1 95 PRO HG2 . . 3.710 2.050 1.886 2.675 . 0 0 "[ . 1 . 2]" 1
798 1 32 ASP HB3 1 95 PRO HG3 . . 4.210 3.570 3.439 4.180 . 0 0 "[ . 1 . 2]" 1
799 1 32 ASP HB3 1 97 VAL QG . . 3.750 3.217 2.913 3.698 . 0 0 "[ . 1 . 2]" 1
800 1 33 VAL H 1 33 VAL MG1 . . 3.730 2.886 2.780 2.997 . 0 0 "[ . 1 . 2]" 1
801 1 33 VAL H 1 33 VAL MG2 . . 3.280 2.097 2.005 2.159 . 0 0 "[ . 1 . 2]" 1
802 1 33 VAL H 1 34 THR H . . 3.530 1.910 1.859 2.066 . 0 0 "[ . 1 . 2]" 1
803 1 33 VAL H 1 34 THR MG . . 5.500 2.938 2.861 3.231 . 0 0 "[ . 1 . 2]" 1
804 1 33 VAL HA 1 33 VAL MG1 . . 3.230 2.328 2.259 2.381 . 0 0 "[ . 1 . 2]" 1
805 1 33 VAL HA 1 35 THR H . . 4.480 3.171 3.106 3.229 . 0 0 "[ . 1 . 2]" 1
806 1 33 VAL HA 1 36 GLY H . . 4.530 4.165 4.077 4.276 . 0 0 "[ . 1 . 2]" 1
807 1 33 VAL HA 1 94 TYR HB3 . . 4.560 3.989 3.874 4.122 . 0 0 "[ . 1 . 2]" 1
808 1 33 VAL HA 1 94 TYR QD . . 3.930 2.466 2.239 2.699 . 0 0 "[ . 1 . 2]" 1
809 1 33 VAL HA 1 94 TYR QE . . 4.420 2.435 2.262 2.688 . 0 0 "[ . 1 . 2]" 1
810 1 33 VAL HA 1 95 PRO HD2 . . 4.620 4.084 3.721 4.227 . 0 0 "[ . 1 . 2]" 1
811 1 33 VAL HB 1 34 THR H . . 5.430 4.500 4.457 4.525 . 0 0 "[ . 1 . 2]" 1
812 1 33 VAL HB 1 36 GLY H . . 4.420 4.375 4.261 4.479 0.059 12 0 "[ . 1 . 2]" 1
813 1 33 VAL HB 1 40 TYR QD . . 3.490 2.199 2.053 2.343 . 0 0 "[ . 1 . 2]" 1
814 1 33 VAL HB 1 46 TYR QE . . 4.010 4.288 4.184 4.348 0.338 11 0 "[ . 1 . 2]" 1
815 1 33 VAL MG1 1 34 THR H . . 4.740 4.188 4.139 4.243 . 0 0 "[ . 1 . 2]" 1
816 1 33 VAL MG1 1 36 GLY H . . 5.500 5.459 5.367 5.510 0.010 12 0 "[ . 1 . 2]" 1
817 1 33 VAL MG1 1 40 TYR QD . . 4.320 3.187 3.039 3.573 . 0 0 "[ . 1 . 2]" 1
818 1 33 VAL MG1 1 46 TYR QE . . 4.570 4.872 4.804 4.923 0.353 14 0 "[ . 1 . 2]" 1
819 1 33 VAL MG1 1 90 PHE QD . . 4.200 3.470 3.268 3.721 . 0 0 "[ . 1 . 2]" 1
820 1 33 VAL MG1 1 90 PHE QE . . 3.630 2.685 2.423 2.997 . 0 0 "[ . 1 . 2]" 1
821 1 33 VAL MG1 1 90 PHE HZ . . 4.620 3.508 3.293 3.685 . 0 0 "[ . 1 . 2]" 1
822 1 33 VAL MG1 1 94 TYR HB2 . . 4.530 3.500 3.283 3.588 . 0 0 "[ . 1 . 2]" 1
823 1 33 VAL MG1 1 94 TYR HB3 . . 4.170 2.796 2.402 2.967 . 0 0 "[ . 1 . 2]" 1
824 1 33 VAL MG1 1 94 TYR QD . . 3.680 2.544 2.471 2.619 . 0 0 "[ . 1 . 2]" 1
825 1 33 VAL MG1 1 94 TYR QE . . 4.490 2.441 2.325 2.613 . 0 0 "[ . 1 . 2]" 1
826 1 33 VAL MG2 1 34 THR H . . 4.330 3.097 2.985 3.186 . 0 0 "[ . 1 . 2]" 1
827 1 33 VAL MG2 1 34 THR HB . . 4.550 4.590 4.437 4.685 0.135 18 0 "[ . 1 . 2]" 1
828 1 33 VAL MG2 1 36 GLY H . . 5.500 4.166 4.079 4.250 . 0 0 "[ . 1 . 2]" 1
829 1 33 VAL MG2 1 40 TYR H . . 5.410 3.814 3.655 4.318 . 0 0 "[ . 1 . 2]" 1
830 1 33 VAL MG2 1 40 TYR HA . . 4.660 4.125 4.063 4.275 . 0 0 "[ . 1 . 2]" 1
831 1 33 VAL MG2 1 40 TYR HB2 . . 3.770 2.053 1.908 2.535 . 0 0 "[ . 1 . 2]" 1
832 1 33 VAL MG2 1 40 TYR HB3 . . 3.920 2.363 2.220 2.650 . 0 0 "[ . 1 . 2]" 1
833 1 33 VAL MG2 1 40 TYR QD . . 3.530 2.153 2.079 2.286 . 0 0 "[ . 1 . 2]" 1
834 1 33 VAL MG2 1 46 TYR QE . . 4.280 4.521 4.428 4.642 0.362 7 0 "[ . 1 . 2]" 1
835 1 34 THR H 1 34 THR HB . . 3.730 2.892 2.816 2.927 . 0 0 "[ . 1 . 2]" 1
836 1 34 THR H 1 34 THR MG . . 3.940 1.738 1.708 1.791 . 0 0 "[ . 1 . 2]" 1
837 1 34 THR H 1 35 THR MG . . 5.390 3.739 3.647 3.906 . 0 0 "[ . 1 . 2]" 1
838 1 34 THR H 1 94 TYR QD . . 5.500 5.053 4.908 5.149 . 0 0 "[ . 1 . 2]" 1
839 1 34 THR HA 1 34 THR MG . . 3.050 3.164 3.150 3.186 0.136 17 0 "[ . 1 . 2]" 1
840 1 34 THR HA 1 35 THR MG . . 4.470 4.609 4.465 4.710 0.240 6 0 "[ . 1 . 2]" 1
841 1 34 THR HB 1 35 THR H . . 4.610 4.407 4.356 4.443 . 0 0 "[ . 1 . 2]" 1
842 1 34 THR HB 1 36 GLY H . . 4.440 5.155 5.117 5.186 0.746 6 20 [*****+***********-**] 1
843 1 34 THR HB 1 37 LYS H . . 4.760 5.191 5.107 5.309 0.549 18 1 "[ . 1 . + 2]" 1
844 1 34 THR HB 1 37 LYS HB2 . . 4.710 4.816 4.752 4.880 0.170 10 0 "[ . 1 . 2]" 1
845 1 34 THR HB 1 37 LYS HB3 . . 4.730 4.305 4.051 4.664 . 0 0 "[ . 1 . 2]" 1
846 1 34 THR MG 1 35 THR H . . 4.350 2.446 2.298 2.550 . 0 0 "[ . 1 . 2]" 1
847 1 34 THR MG 1 35 THR HA . . 4.420 4.104 3.987 4.170 . 0 0 "[ . 1 . 2]" 1
848 1 35 THR H 1 35 THR MG . . 3.340 1.893 1.830 1.994 . 0 0 "[ . 1 . 2]" 1
849 1 35 THR H 1 36 GLY H . . 3.560 2.780 2.767 2.795 . 0 0 "[ . 1 . 2]" 1
850 1 35 THR H 1 36 GLY HA3 . . 5.380 5.088 5.069 5.112 . 0 0 "[ . 1 . 2]" 1
851 1 35 THR H 1 37 LYS H . . 5.410 4.761 4.686 4.949 . 0 0 "[ . 1 . 2]" 1
852 1 35 THR H 1 94 TYR QD . . 5.490 4.313 4.244 4.434 . 0 0 "[ . 1 . 2]" 1
853 1 35 THR H 1 94 TYR QE . . 5.440 4.096 3.885 4.296 . 0 0 "[ . 1 . 2]" 1
854 1 35 THR HA 1 35 THR MG . . 3.110 2.885 2.534 3.243 0.133 10 0 "[ . 1 . 2]" 1
855 1 35 THR HA 1 37 LYS H . . 4.370 4.460 4.411 4.520 0.150 12 0 "[ . 1 . 2]" 1
856 1 35 THR HB 1 36 GLY H . . 5.230 4.427 4.396 4.478 . 0 0 "[ . 1 . 2]" 1
857 1 35 THR HB 1 94 TYR QE . . 4.760 4.715 4.401 4.825 0.065 14 0 "[ . 1 . 2]" 1
858 1 35 THR MG 1 36 GLY H . . 4.790 3.318 2.626 3.969 . 0 0 "[ . 1 . 2]" 1
859 1 36 GLY H 1 37 LYS H . . 3.490 2.538 2.466 2.720 . 0 0 "[ . 1 . 2]" 1
860 1 36 GLY H 1 94 TYR QE . . 4.340 4.290 3.955 4.439 0.099 14 0 "[ . 1 . 2]" 1
861 1 36 GLY HA2 1 39 PHE H . . 5.350 4.115 3.907 4.205 . 0 0 "[ . 1 . 2]" 1
862 1 36 GLY HA2 1 39 PHE QD . . 4.120 3.411 2.801 4.132 0.012 14 0 "[ . 1 . 2]" 1
863 1 36 GLY HA3 1 39 PHE QD . . 3.960 2.476 2.068 3.235 . 0 0 "[ . 1 . 2]" 1
864 1 36 GLY HA3 1 46 TYR QE . . 4.520 4.571 4.418 4.633 0.113 8 0 "[ . 1 . 2]" 1
865 1 36 GLY HA3 1 94 TYR QE . . 4.810 4.629 4.268 4.890 0.080 18 0 "[ . 1 . 2]" 1
866 1 37 LYS H 1 37 LYS HB2 . . 3.600 3.390 3.343 3.449 . 0 0 "[ . 1 . 2]" 1
867 1 37 LYS H 1 37 LYS HB3 . . 3.590 2.082 2.044 2.150 . 0 0 "[ . 1 . 2]" 1
868 1 37 LYS H 1 37 LYS QD . . 4.850 3.882 3.397 4.238 . 0 0 "[ . 1 . 2]" 1
869 1 37 LYS H 1 37 LYS QE . . 5.500 5.012 3.852 5.370 . 0 0 "[ . 1 . 2]" 1
870 1 37 LYS H 1 37 LYS HG2 . . 3.800 3.011 2.809 3.155 . 0 0 "[ . 1 . 2]" 1
871 1 37 LYS H 1 37 LYS HG3 . . 4.490 4.052 3.669 4.180 . 0 0 "[ . 1 . 2]" 1
872 1 37 LYS H 1 38 SER H . . 4.510 2.767 2.751 2.785 . 0 0 "[ . 1 . 2]" 1
873 1 37 LYS H 1 41 GLY H . . 5.500 4.455 4.363 4.516 . 0 0 "[ . 1 . 2]" 1
874 1 37 LYS HA 1 37 LYS QD . . 4.580 4.278 4.171 4.439 . 0 0 "[ . 1 . 2]" 1
875 1 37 LYS HA 1 37 LYS HG2 . . 4.220 3.739 3.584 3.905 . 0 0 "[ . 1 . 2]" 1
876 1 37 LYS HA 1 37 LYS HG3 . . 3.870 3.519 3.428 3.718 . 0 0 "[ . 1 . 2]" 1
877 1 37 LYS HA 1 39 PHE H . . 4.550 3.376 3.322 3.504 . 0 0 "[ . 1 . 2]" 1
878 1 37 LYS HA 1 40 TYR H . . 3.810 2.756 2.684 2.824 . 0 0 "[ . 1 . 2]" 1
879 1 37 LYS HA 1 40 TYR HB2 . . 4.830 2.860 2.646 2.999 . 0 0 "[ . 1 . 2]" 1
880 1 37 LYS HA 1 40 TYR QD . . 4.640 4.695 4.412 4.849 0.209 14 0 "[ . 1 . 2]" 1
881 1 37 LYS HA 1 41 GLY H . . 3.420 1.898 1.802 1.980 . 0 0 "[ . 1 . 2]" 1
882 1 37 LYS HB2 1 37 LYS QE . . 4.670 3.546 2.370 4.229 . 0 0 "[ . 1 . 2]" 1
883 1 37 LYS HB2 1 38 SER H . . 5.330 4.403 4.341 4.434 . 0 0 "[ . 1 . 2]" 1
884 1 37 LYS HB2 1 41 GLY HA3 . . 4.560 2.636 2.230 3.061 . 0 0 "[ . 1 . 2]" 1
885 1 37 LYS HB2 1 42 SER H . . 5.500 4.696 4.163 5.138 . 0 0 "[ . 1 . 2]" 1
886 1 37 LYS HB3 1 37 LYS QD . . 3.420 2.366 2.056 2.631 . 0 0 "[ . 1 . 2]" 1
887 1 37 LYS HB3 1 37 LYS QE . . 4.680 3.864 3.089 4.185 . 0 0 "[ . 1 . 2]" 1
888 1 37 LYS HB3 1 38 SER H . . 5.000 3.872 3.798 3.978 . 0 0 "[ . 1 . 2]" 1
889 1 37 LYS QD 1 38 SER H . . 5.500 4.563 4.324 4.784 . 0 0 "[ . 1 . 2]" 1
890 1 37 LYS QD 1 42 SER H . . 5.500 5.040 3.943 5.521 0.021 6 0 "[ . 1 . 2]" 1
891 1 37 LYS QE 1 37 LYS HG2 . . 3.690 2.734 1.996 3.382 . 0 0 "[ . 1 . 2]" 1
892 1 37 LYS QE 1 42 SER H . . 5.500 4.345 3.216 5.505 0.005 11 0 "[ . 1 . 2]" 1
893 1 37 LYS HG2 1 38 SER H . . 5.480 2.653 2.365 2.988 . 0 0 "[ . 1 . 2]" 1
894 1 37 LYS HG2 1 41 GLY HA3 . . 4.640 4.117 3.809 4.437 . 0 0 "[ . 1 . 2]" 1
895 1 37 LYS HG3 1 38 SER H . . 5.310 3.497 2.936 3.784 . 0 0 "[ . 1 . 2]" 1
896 1 37 LYS HG3 1 41 GLY HA2 . . 4.820 4.123 3.774 4.594 . 0 0 "[ . 1 . 2]" 1
897 1 37 LYS HG3 1 41 GLY HA3 . . 4.260 2.587 2.280 2.970 . 0 0 "[ . 1 . 2]" 1
898 1 37 LYS HG3 1 42 SER H . . 5.260 4.310 3.006 5.131 . 0 0 "[ . 1 . 2]" 1
899 1 38 SER H 1 39 PHE H . . 4.300 2.684 2.571 2.722 . 0 0 "[ . 1 . 2]" 1
900 1 38 SER H 1 40 TYR H . . 5.500 4.223 3.990 4.284 . 0 0 "[ . 1 . 2]" 1
901 1 38 SER HB2 1 39 PHE H . . 4.810 3.636 3.358 4.228 . 0 0 "[ . 1 . 2]" 1
902 1 38 SER HB3 1 39 PHE H . . 4.750 3.557 3.236 3.833 . 0 0 "[ . 1 . 2]" 1
903 1 39 PHE H 1 39 PHE HB2 . . 3.540 2.375 2.270 2.488 . 0 0 "[ . 1 . 2]" 1
904 1 39 PHE H 1 39 PHE HB3 . . 3.910 3.576 3.528 3.606 . 0 0 "[ . 1 . 2]" 1
905 1 39 PHE H 1 39 PHE QD . . 4.260 2.760 2.023 3.546 . 0 0 "[ . 1 . 2]" 1
906 1 39 PHE H 1 40 TYR H . . 3.180 2.085 2.010 2.125 . 0 0 "[ . 1 . 2]" 1
907 1 39 PHE H 1 40 TYR HB3 . . 5.500 5.168 5.068 5.301 . 0 0 "[ . 1 . 2]" 1
908 1 39 PHE H 1 41 GLY H . . 4.520 3.236 3.168 3.324 . 0 0 "[ . 1 . 2]" 1
909 1 39 PHE H 1 46 TYR QD . . 5.500 4.398 4.274 4.719 . 0 0 "[ . 1 . 2]" 1
910 1 39 PHE H 1 46 TYR QE . . 5.360 4.417 4.277 4.611 . 0 0 "[ . 1 . 2]" 1
911 1 39 PHE HA 1 39 PHE QD . . 3.790 2.699 1.954 3.232 . 0 0 "[ . 1 . 2]" 1
912 1 39 PHE HA 1 44 GLY HA2 . . 3.970 3.473 2.685 4.457 0.487 14 0 "[ . 1 . 2]" 1
913 1 39 PHE HA 1 44 GLY HA3 . . 4.190 2.884 1.929 4.404 0.214 14 0 "[ . 1 . 2]" 1
914 1 39 PHE HA 1 45 ASP H . . 5.090 2.013 1.837 4.495 . 0 0 "[ . 1 . 2]" 1
915 1 39 PHE HA 1 45 ASP HA . . 4.150 4.397 4.278 4.645 0.495 14 0 "[ . 1 . 2]" 1
916 1 39 PHE HA 1 46 TYR H . . 4.190 3.630 3.506 3.974 . 0 0 "[ . 1 . 2]" 1
917 1 39 PHE HA 1 46 TYR QD . . 4.460 4.461 4.287 4.625 0.165 7 0 "[ . 1 . 2]" 1
918 1 39 PHE HB2 1 40 TYR H . . 4.090 2.464 2.383 2.711 . 0 0 "[ . 1 . 2]" 1
919 1 39 PHE HB2 1 40 TYR QD . . 4.070 3.553 3.153 3.738 . 0 0 "[ . 1 . 2]" 1
920 1 39 PHE HB2 1 46 TYR QD . . 4.380 2.843 2.612 3.173 . 0 0 "[ . 1 . 2]" 1
921 1 39 PHE HB2 1 46 TYR QE . . 4.150 2.108 1.988 2.414 . 0 0 "[ . 1 . 2]" 1
922 1 39 PHE HB3 1 40 TYR H . . 4.020 3.597 3.445 3.838 . 0 0 "[ . 1 . 2]" 1
923 1 39 PHE HB3 1 45 ASP HB2 . . 4.670 2.062 1.967 2.449 . 0 0 "[ . 1 . 2]" 1
924 1 39 PHE HB3 1 46 TYR H . . 5.210 3.279 3.098 3.998 . 0 0 "[ . 1 . 2]" 1
925 1 39 PHE HB3 1 46 TYR QD . . 3.770 2.991 2.788 3.162 . 0 0 "[ . 1 . 2]" 1
926 1 39 PHE HB3 1 46 TYR QE . . 4.550 2.357 2.128 2.509 . 0 0 "[ . 1 . 2]" 1
927 1 39 PHE QD 1 46 TYR QD . . 4.790 4.548 4.389 4.779 . 0 0 "[ . 1 . 2]" 1
928 1 39 PHE QD 1 46 TYR QE . . 4.220 3.263 2.852 3.586 . 0 0 "[ . 1 . 2]" 1
929 1 40 TYR H 1 40 TYR HB2 . . 3.730 1.969 1.937 2.081 . 0 0 "[ . 1 . 2]" 1
930 1 40 TYR H 1 40 TYR HB3 . . 4.100 3.186 3.110 3.331 . 0 0 "[ . 1 . 2]" 1
931 1 40 TYR H 1 40 TYR QD . . 3.730 3.429 3.146 3.618 . 0 0 "[ . 1 . 2]" 1
932 1 40 TYR H 1 41 GLY H . . 3.390 2.227 2.077 2.286 . 0 0 "[ . 1 . 2]" 1
933 1 40 TYR H 1 46 TYR QE . . 4.180 3.931 3.800 4.247 0.067 18 0 "[ . 1 . 2]" 1
934 1 40 TYR H 1 50 ALA MB . . 5.500 5.300 5.166 5.468 . 0 0 "[ . 1 . 2]" 1
935 1 40 TYR HA 1 40 TYR QD . . 3.230 2.755 2.662 2.845 . 0 0 "[ . 1 . 2]" 1
936 1 40 TYR HA 1 46 TYR H . . 4.630 2.668 2.568 2.826 . 0 0 "[ . 1 . 2]" 1
937 1 40 TYR HA 1 46 TYR HB2 . . 4.820 2.010 1.840 2.519 . 0 0 "[ . 1 . 2]" 1
938 1 40 TYR HA 1 46 TYR HB3 . . 4.250 3.742 3.584 4.251 0.001 18 0 "[ . 1 . 2]" 1
939 1 40 TYR HA 1 46 TYR QE . . 4.710 4.814 4.734 4.919 0.209 19 0 "[ . 1 . 2]" 1
940 1 40 TYR HA 1 47 SER H . . 4.700 4.473 3.804 4.711 0.011 7 0 "[ . 1 . 2]" 1
941 1 40 TYR HA 1 49 PHE H . . 5.500 5.351 5.106 5.548 0.048 4 0 "[ . 1 . 2]" 1
942 1 40 TYR HA 1 50 ALA MB . . 4.630 3.242 3.083 3.428 . 0 0 "[ . 1 . 2]" 1
943 1 40 TYR HB2 1 41 GLY H . . 4.500 2.918 2.740 3.027 . 0 0 "[ . 1 . 2]" 1
944 1 40 TYR HB2 1 50 ALA MB . . 4.690 4.704 4.624 4.784 0.094 18 0 "[ . 1 . 2]" 1
945 1 40 TYR HB3 1 41 GLY H . . 5.060 3.055 2.956 3.229 . 0 0 "[ . 1 . 2]" 1
946 1 40 TYR HB3 1 46 TYR HB2 . . 4.450 3.901 3.785 4.249 . 0 0 "[ . 1 . 2]" 1
947 1 40 TYR HB3 1 50 ALA MB . . 4.140 3.411 3.286 3.493 . 0 0 "[ . 1 . 2]" 1
948 1 40 TYR QD 1 46 TYR H . . 4.730 4.465 4.348 4.753 0.023 14 0 "[ . 1 . 2]" 1
949 1 40 TYR QD 1 46 TYR HB2 . . 3.800 2.512 2.301 2.679 . 0 0 "[ . 1 . 2]" 1
950 1 40 TYR QD 1 46 TYR HB3 . . 3.630 3.422 3.073 3.634 0.004 7 0 "[ . 1 . 2]" 1
951 1 40 TYR QD 1 46 TYR QE . . 2.830 2.871 2.829 2.906 0.076 19 0 "[ . 1 . 2]" 1
952 1 40 TYR QD 1 47 SER HA . . 4.540 4.733 4.557 4.867 0.327 11 0 "[ . 1 . 2]" 1
953 1 40 TYR QD 1 49 PHE H . . 4.800 4.605 4.439 4.716 . 0 0 "[ . 1 . 2]" 1
954 1 40 TYR QD 1 49 PHE HB2 . . 3.980 3.233 3.033 3.468 . 0 0 "[ . 1 . 2]" 1
955 1 40 TYR QD 1 49 PHE HB3 . . 4.180 4.278 4.054 4.399 0.219 12 0 "[ . 1 . 2]" 1
956 1 40 TYR QD 1 50 ALA MB . . 3.640 2.343 2.064 2.723 . 0 0 "[ . 1 . 2]" 1
957 1 41 GLY HA2 1 42 SER H . . 3.340 2.714 2.456 3.463 0.123 14 0 "[ . 1 . 2]" 1
958 1 41 GLY HA2 1 50 ALA MB . . 4.830 3.948 3.528 4.244 . 0 0 "[ . 1 . 2]" 1
959 1 41 GLY HA3 1 42 SER H . . 3.230 2.600 2.202 2.799 . 0 0 "[ . 1 . 2]" 1
960 1 42 SER H 1 42 SER HB2 . . 3.180 2.592 2.070 3.443 0.263 11 0 "[ . 1 . 2]" 1
961 1 42 SER H 1 42 SER HB3 . . 3.390 2.899 2.104 3.418 0.028 3 0 "[ . 1 . 2]" 1
962 1 42 SER H 1 43 GLY H . . 4.900 4.404 3.066 4.634 . 0 0 "[ . 1 . 2]" 1
963 1 42 SER HA 1 43 GLY H . . 3.060 2.397 2.218 3.040 . 0 0 "[ . 1 . 2]" 1
964 1 42 SER HB2 1 43 GLY H . . 4.670 3.989 1.996 4.739 0.069 14 0 "[ . 1 . 2]" 1
965 1 42 SER HB3 1 43 GLY H . . 4.680 3.845 1.975 4.439 . 0 0 "[ . 1 . 2]" 1
966 1 43 GLY H 1 44 GLY H . . 3.780 3.469 1.884 3.843 0.063 3 0 "[ . 1 . 2]" 1
967 1 44 GLY H 1 45 ASP H . . 5.060 4.289 3.835 4.537 . 0 0 "[ . 1 . 2]" 1
968 1 44 GLY H 1 47 SER H . . 5.250 3.589 3.252 4.280 . 0 0 "[ . 1 . 2]" 1
969 1 44 GLY H 1 47 SER QB . . 3.920 2.243 1.859 3.818 . 0 0 "[ . 1 . 2]" 1
970 1 44 GLY HA2 1 45 ASP H . . 3.210 2.700 2.215 3.168 . 0 0 "[ . 1 . 2]" 1
971 1 44 GLY HA2 1 46 TYR H . . 4.600 4.644 3.773 4.787 0.187 16 0 "[ . 1 . 2]" 1
972 1 44 GLY HA3 1 45 ASP H . . 3.530 2.575 2.227 3.206 . 0 0 "[ . 1 . 2]" 1
973 1 44 GLY HA3 1 46 TYR H . . 4.320 3.681 3.384 4.999 0.679 14 1 "[ . 1 +. 2]" 1
974 1 44 GLY HA3 1 47 SER H . . 4.690 4.709 4.069 5.028 0.338 14 0 "[ . 1 . 2]" 1
975 1 45 ASP H 1 45 ASP HB2 . . 3.960 2.195 2.037 3.354 . 0 0 "[ . 1 . 2]" 1
976 1 45 ASP H 1 45 ASP HB3 . . 3.670 3.342 3.109 4.018 0.348 14 0 "[ . 1 . 2]" 1
977 1 45 ASP H 1 46 TYR H . . 3.850 2.843 1.964 3.101 . 0 0 "[ . 1 . 2]" 1
978 1 45 ASP HB2 1 46 TYR H . . 4.510 2.970 2.353 3.398 . 0 0 "[ . 1 . 2]" 1
979 1 45 ASP HB2 1 46 TYR QD . . 4.790 4.019 3.467 4.305 . 0 0 "[ . 1 . 2]" 1
980 1 45 ASP HB2 1 46 TYR QE . . 3.740 3.892 3.481 4.107 0.367 20 0 "[ . 1 . 2]" 1
981 1 45 ASP HB3 1 46 TYR H . . 4.100 2.812 2.407 3.483 . 0 0 "[ . 1 . 2]" 1
982 1 45 ASP HB3 1 46 TYR QD . . 4.270 3.199 3.077 3.593 . 0 0 "[ . 1 . 2]" 1
983 1 45 ASP HB3 1 46 TYR QE . . 4.330 3.223 2.974 3.524 . 0 0 "[ . 1 . 2]" 1
984 1 46 TYR H 1 46 TYR HB3 . . 3.520 3.587 3.502 3.847 0.327 14 0 "[ . 1 . 2]" 1
985 1 46 TYR H 1 46 TYR QD . . 4.120 2.868 2.677 3.407 . 0 0 "[ . 1 . 2]" 1
986 1 46 TYR H 1 46 TYR QE . . 4.930 4.273 4.078 4.888 . 0 0 "[ . 1 . 2]" 1
987 1 46 TYR H 1 47 SER H . . 3.340 3.277 1.961 3.501 0.161 2 0 "[ . 1 . 2]" 1
988 1 46 TYR H 1 47 SER QB . . 5.390 4.603 3.606 5.115 . 0 0 "[ . 1 . 2]" 1
989 1 46 TYR H 1 50 ALA MB . . 5.340 5.025 4.850 5.245 . 0 0 "[ . 1 . 2]" 1
990 1 46 TYR HA 1 46 TYR QD . . 3.590 2.723 2.621 2.914 . 0 0 "[ . 1 . 2]" 1
991 1 46 TYR HA 1 46 TYR QE . . 4.580 4.911 4.835 5.019 0.439 7 0 "[ . 1 . 2]" 1
992 1 46 TYR HA 1 48 MET H . . 3.270 3.273 3.002 3.345 0.075 5 0 "[ . 1 . 2]" 1
993 1 46 TYR HA 1 48 MET QG . . 3.460 3.251 2.954 3.376 . 0 0 "[ . 1 . 2]" 1
994 1 46 TYR HB2 1 47 SER H . . 4.990 4.302 3.903 4.373 . 0 0 "[ . 1 . 2]" 1
995 1 46 TYR HB2 1 49 PHE H . . 4.910 4.090 3.690 4.244 . 0 0 "[ . 1 . 2]" 1
996 1 46 TYR HB2 1 49 PHE HB2 . . 4.420 2.854 2.435 3.089 . 0 0 "[ . 1 . 2]" 1
997 1 46 TYR HB2 1 49 PHE QD . . 4.180 3.621 3.419 3.807 . 0 0 "[ . 1 . 2]" 1
998 1 46 TYR HB3 1 47 SER H . . 5.000 4.569 4.523 4.638 . 0 0 "[ . 1 . 2]" 1
999 1 46 TYR HB3 1 49 PHE QD . . 4.600 1.970 1.909 2.152 . 0 0 "[ . 1 . 2]" 1
1000 1 46 TYR QD 1 49 PHE H . . 5.330 4.926 4.813 4.979 . 0 0 "[ . 1 . 2]" 1
1001 1 46 TYR QD 1 49 PHE QD . . 4.610 2.385 2.229 2.702 . 0 0 "[ . 1 . 2]" 1
1002 1 46 TYR QD 1 49 PHE QE . . 4.240 2.476 2.330 2.661 . 0 0 "[ . 1 . 2]" 1
1003 1 46 TYR QD 1 49 PHE HZ . . 4.580 4.529 4.269 4.735 0.155 19 0 "[ . 1 . 2]" 1
1004 1 46 TYR QD 1 50 ALA MB . . 4.880 4.976 4.892 5.078 0.198 16 0 "[ . 1 . 2]" 1
1005 1 46 TYR QE 1 49 PHE QE . . 3.620 3.828 3.777 3.906 0.286 16 0 "[ . 1 . 2]" 1
1006 1 47 SER H 1 47 SER QB . . 3.380 2.198 2.004 2.491 . 0 0 "[ . 1 . 2]" 1
1007 1 47 SER H 1 48 MET H . . 3.650 2.525 2.452 2.804 . 0 0 "[ . 1 . 2]" 1
1008 1 47 SER H 1 48 MET ME . . 4.360 4.368 2.289 4.562 0.202 11 0 "[ . 1 . 2]" 1
1009 1 47 SER HA 1 49 PHE H . . 4.300 4.265 4.109 4.370 0.070 12 0 "[ . 1 . 2]" 1
1010 1 47 SER HA 1 50 ALA H . . 4.480 3.524 3.404 3.648 . 0 0 "[ . 1 . 2]" 1
1011 1 47 SER HA 1 50 ALA MB . . 3.860 2.767 2.606 2.994 . 0 0 "[ . 1 . 2]" 1
1012 1 47 SER QB 1 48 MET H . . 4.700 3.238 2.821 3.685 . 0 0 "[ . 1 . 2]" 1
1013 1 48 MET H 1 48 MET HB2 . . 3.490 3.523 3.493 3.547 0.057 14 0 "[ . 1 . 2]" 1
1014 1 48 MET H 1 48 MET HB3 . . 3.500 2.796 2.674 2.911 . 0 0 "[ . 1 . 2]" 1
1015 1 48 MET H 1 48 MET ME . . 3.460 3.142 1.811 3.298 . 0 0 "[ . 1 . 2]" 1
1016 1 48 MET H 1 48 MET QG . . 4.410 2.078 1.909 2.317 . 0 0 "[ . 1 . 2]" 1
1017 1 48 MET H 1 49 PHE H . . 3.580 2.359 2.324 2.383 . 0 0 "[ . 1 . 2]" 1
1018 1 48 MET H 1 49 PHE HB2 . . 5.450 4.540 4.445 4.619 . 0 0 "[ . 1 . 2]" 1
1019 1 48 MET H 1 49 PHE QD . . 5.390 4.124 3.911 4.362 . 0 0 "[ . 1 . 2]" 1
1020 1 48 MET HA 1 48 MET HB2 . . 3.050 2.595 2.538 2.648 . 0 0 "[ . 1 . 2]" 1
1021 1 48 MET HA 1 48 MET ME . . 3.550 3.680 3.369 3.744 0.194 17 0 "[ . 1 . 2]" 1
1022 1 48 MET HA 1 50 ALA H . . 4.640 4.330 4.241 4.450 . 0 0 "[ . 1 . 2]" 1
1023 1 48 MET HB2 1 48 MET QG . . 2.520 2.186 2.184 2.202 . 0 0 "[ . 1 . 2]" 1
1024 1 48 MET HB2 1 49 PHE H . . 4.140 3.849 3.687 3.998 . 0 0 "[ . 1 . 2]" 1
1025 1 48 MET HB2 1 49 PHE QD . . 3.620 3.357 3.141 3.629 0.009 14 0 "[ . 1 . 2]" 1
1026 1 48 MET HB2 1 49 PHE QE . . 4.190 3.950 3.754 4.188 . 0 0 "[ . 1 . 2]" 1
1027 1 48 MET HB2 1 68 VAL QG . . 3.540 2.631 2.080 2.887 . 0 0 "[ . 1 . 2]" 1
1028 1 48 MET HB3 1 48 MET ME . . 2.660 1.798 1.766 1.912 . 0 0 "[ . 1 . 2]" 1
1029 1 48 MET HB3 1 49 PHE H . . 4.720 4.188 4.088 4.269 . 0 0 "[ . 1 . 2]" 1
1030 1 48 MET HB3 1 68 VAL QG . . 4.570 4.031 3.586 4.289 . 0 0 "[ . 1 . 2]" 1
1031 1 48 MET ME 1 48 MET QG . . 3.380 2.484 2.446 2.503 . 0 0 "[ . 1 . 2]" 1
1032 1 48 MET ME 1 49 PHE H . . 5.080 4.671 3.564 4.826 . 0 0 "[ . 1 . 2]" 1
1033 1 48 MET ME 1 49 PHE QE . . 4.760 4.211 4.013 4.496 . 0 0 "[ . 1 . 2]" 1
1034 1 48 MET ME 1 65 GLU HA . . 4.430 3.683 2.910 4.353 . 0 0 "[ . 1 . 2]" 1
1035 1 48 MET ME 1 65 GLU QG . . 3.500 3.402 2.987 3.575 0.075 15 0 "[ . 1 . 2]" 1
1036 1 48 MET ME 1 68 VAL QG . . 4.290 4.217 3.649 4.485 0.195 7 0 "[ . 1 . 2]" 1
1037 1 48 MET QG 1 49 PHE H . . 4.860 1.977 1.865 2.151 . 0 0 "[ . 1 . 2]" 1
1038 1 48 MET QG 1 49 PHE QD . . 4.120 2.254 1.866 2.494 . 0 0 "[ . 1 . 2]" 1
1039 1 48 MET QG 1 49 PHE QE . . 4.620 2.120 1.914 2.493 . 0 0 "[ . 1 . 2]" 1
1040 1 48 MET QG 1 68 VAL QG . . 3.830 3.120 2.466 3.429 . 0 0 "[ . 1 . 2]" 1
1041 1 49 PHE H 1 49 PHE HB2 . . 3.330 2.400 2.323 2.460 . 0 0 "[ . 1 . 2]" 1
1042 1 49 PHE H 1 49 PHE HB3 . . 3.660 3.487 3.471 3.510 . 0 0 "[ . 1 . 2]" 1
1043 1 49 PHE H 1 49 PHE QD . . 3.950 2.643 2.350 2.940 . 0 0 "[ . 1 . 2]" 1
1044 1 49 PHE H 1 49 PHE QE . . 4.900 4.272 4.121 4.461 . 0 0 "[ . 1 . 2]" 1
1045 1 49 PHE H 1 50 ALA H . . 3.100 2.423 2.300 2.524 . 0 0 "[ . 1 . 2]" 1
1046 1 49 PHE H 1 50 ALA HA . . 5.490 4.956 4.837 5.043 . 0 0 "[ . 1 . 2]" 1
1047 1 49 PHE H 1 50 ALA MB . . 4.230 4.011 3.908 4.129 . 0 0 "[ . 1 . 2]" 1
1048 1 49 PHE H 1 54 ALA MB . . 5.500 3.979 3.720 4.336 . 0 0 "[ . 1 . 2]" 1
1049 1 49 PHE H 1 68 VAL QG . . 5.160 4.226 3.669 4.595 . 0 0 "[ . 1 . 2]" 1
1050 1 49 PHE HA 1 49 PHE QD . . 3.110 2.103 2.002 2.172 . 0 0 "[ . 1 . 2]" 1
1051 1 49 PHE HA 1 49 PHE QE . . 4.530 4.476 4.395 4.528 . 0 0 "[ . 1 . 2]" 1
1052 1 49 PHE HA 1 52 LYS HB2 . . 4.330 2.850 2.386 3.190 . 0 0 "[ . 1 . 2]" 1
1053 1 49 PHE HA 1 52 LYS HB3 . . 4.800 3.834 3.743 3.935 . 0 0 "[ . 1 . 2]" 1
1054 1 49 PHE HA 1 54 ALA MB . . 3.890 2.269 1.962 2.746 . 0 0 "[ . 1 . 2]" 1
1055 1 49 PHE HA 1 68 VAL QG . . 3.590 2.711 2.040 3.125 . 0 0 "[ . 1 . 2]" 1
1056 1 49 PHE HB2 1 50 ALA H . . 4.140 2.661 2.610 2.703 . 0 0 "[ . 1 . 2]" 1
1057 1 49 PHE HB2 1 54 ALA MB . . 3.970 3.604 3.290 3.983 0.013 19 0 "[ . 1 . 2]" 1
1058 1 49 PHE HB3 1 50 ALA H . . 4.520 3.836 3.726 3.913 . 0 0 "[ . 1 . 2]" 1
1059 1 49 PHE HB3 1 52 LYS H . . 5.500 4.788 4.524 4.994 . 0 0 "[ . 1 . 2]" 1
1060 1 49 PHE HB3 1 54 ALA MB . . 3.600 2.470 2.058 2.932 . 0 0 "[ . 1 . 2]" 1
1061 1 49 PHE QD 1 54 ALA MB . . 3.840 2.066 1.895 2.503 . 0 0 "[ . 1 . 2]" 1
1062 1 49 PHE QD 1 57 ALA MB . . 4.410 3.574 3.200 3.895 . 0 0 "[ . 1 . 2]" 1
1063 1 49 PHE QD 1 58 LEU QD . . 4.030 3.423 3.059 3.761 . 0 0 "[ . 1 . 2]" 1
1064 1 49 PHE QD 1 68 VAL QG . . 3.250 2.639 1.928 3.129 . 0 0 "[ . 1 . 2]" 1
1065 1 49 PHE QE 1 54 ALA MB . . 4.400 2.700 2.411 3.066 . 0 0 "[ . 1 . 2]" 1
1066 1 49 PHE QE 1 57 ALA MB . . 3.390 2.171 1.844 2.402 . 0 0 "[ . 1 . 2]" 1
1067 1 49 PHE QE 1 58 LEU QD . . 3.530 2.811 2.367 3.149 . 0 0 "[ . 1 . 2]" 1
1068 1 49 PHE QE 1 58 LEU HG . . 4.640 4.060 3.265 4.785 0.145 8 0 "[ . 1 . 2]" 1
1069 1 49 PHE QE 1 62 SER H . . 5.430 5.507 5.406 5.599 0.169 12 0 "[ . 1 . 2]" 1
1070 1 49 PHE QE 1 63 LYS H . . 5.500 4.327 3.720 5.501 0.001 7 0 "[ . 1 . 2]" 1
1071 1 49 PHE QE 1 63 LYS HA . . 4.180 2.168 1.904 2.996 . 0 0 "[ . 1 . 2]" 1
1072 1 49 PHE QE 1 68 VAL QG . . 3.440 3.167 2.498 3.525 0.085 17 0 "[ . 1 . 2]" 1
1073 1 49 PHE HZ 1 54 ALA MB . . 4.630 3.602 3.320 3.827 . 0 0 "[ . 1 . 2]" 1
1074 1 49 PHE HZ 1 57 ALA MB . . 3.630 2.730 2.003 3.058 . 0 0 "[ . 1 . 2]" 1
1075 1 49 PHE HZ 1 58 LEU QD . . 4.350 3.658 2.793 4.303 . 0 0 "[ . 1 . 2]" 1
1076 1 49 PHE HZ 1 62 SER H . . 5.490 5.031 4.638 5.344 . 0 0 "[ . 1 . 2]" 1
1077 1 49 PHE HZ 1 63 LYS HA . . 4.770 2.261 1.883 3.186 . 0 0 "[ . 1 . 2]" 1
1078 1 50 ALA H 1 50 ALA MB . . 2.970 2.098 1.942 2.166 . 0 0 "[ . 1 . 2]" 1
1079 1 50 ALA H 1 51 GLY H . . 5.020 4.558 4.455 4.619 . 0 0 "[ . 1 . 2]" 1
1080 1 50 ALA H 1 52 LYS H . . 4.780 4.762 4.669 4.812 0.032 6 0 "[ . 1 . 2]" 1
1081 1 50 ALA HA 1 51 GLY H . . 3.010 2.200 2.187 2.231 . 0 0 "[ . 1 . 2]" 1
1082 1 50 ALA HA 1 51 GLY HA2 . . 4.610 4.377 4.371 4.387 . 0 0 "[ . 1 . 2]" 1
1083 1 50 ALA HA 1 52 LYS H . . 4.040 3.680 3.532 3.874 . 0 0 "[ . 1 . 2]" 1
1084 1 50 ALA MB 1 51 GLY H . . 3.800 3.226 3.050 3.406 . 0 0 "[ . 1 . 2]" 1
1085 1 50 ALA MB 1 51 GLY HA3 . . 4.710 4.069 3.976 4.158 . 0 0 "[ . 1 . 2]" 1
1086 1 51 GLY H 1 52 LYS H . . 3.410 2.762 2.646 2.885 . 0 0 "[ . 1 . 2]" 1
1087 1 52 LYS H 1 52 LYS HB2 . . 3.460 2.968 2.943 3.004 . 0 0 "[ . 1 . 2]" 1
1088 1 52 LYS H 1 52 LYS HB3 . . 3.940 3.917 3.874 3.960 0.020 20 0 "[ . 1 . 2]" 1
1089 1 52 LYS H 1 52 LYS HG2 . . 4.110 4.113 4.062 4.164 0.054 4 0 "[ . 1 . 2]" 1
1090 1 52 LYS H 1 52 LYS HG3 . . 4.060 3.662 3.319 4.006 . 0 0 "[ . 1 . 2]" 1
1091 1 52 LYS H 1 68 VAL QG . . 5.020 4.336 3.857 4.916 . 0 0 "[ . 1 . 2]" 1
1092 1 52 LYS HA 1 52 LYS QD . . 4.510 3.859 3.582 4.140 . 0 0 "[ . 1 . 2]" 1
1093 1 52 LYS HA 1 52 LYS HG2 . . 3.700 2.253 2.103 2.434 . 0 0 "[ . 1 . 2]" 1
1094 1 52 LYS HA 1 52 LYS HG3 . . 3.940 3.162 3.114 3.211 . 0 0 "[ . 1 . 2]" 1
1095 1 52 LYS HA 1 53 ASP H . . 2.990 2.332 2.252 2.378 . 0 0 "[ . 1 . 2]" 1
1096 1 52 LYS HA 1 53 ASP HB2 . . 4.810 4.426 4.237 4.503 . 0 0 "[ . 1 . 2]" 1
1097 1 52 LYS HB2 1 53 ASP H . . 3.920 4.026 3.910 4.188 0.268 16 0 "[ . 1 . 2]" 1
1098 1 52 LYS HB2 1 54 ALA MB . . 4.600 4.400 3.794 4.698 0.098 7 0 "[ . 1 . 2]" 1
1099 1 52 LYS HB2 1 68 VAL QG . . 3.710 2.575 2.033 3.020 . 0 0 "[ . 1 . 2]" 1
1100 1 52 LYS HB3 1 53 ASP H . . 3.850 2.850 2.739 3.099 . 0 0 "[ . 1 . 2]" 1
1101 1 52 LYS HB3 1 53 ASP HA . . 4.670 4.790 4.675 4.951 0.281 11 0 "[ . 1 . 2]" 1
1102 1 52 LYS HB3 1 54 ALA MB . . 4.750 4.636 4.329 4.848 0.098 19 0 "[ . 1 . 2]" 1
1103 1 52 LYS HB3 1 68 VAL QG . . 3.690 1.772 1.722 1.904 . 0 0 "[ . 1 . 2]" 1
1104 1 52 LYS QD 1 68 VAL QG . . 3.610 2.397 1.965 2.895 . 0 0 "[ . 1 . 2]" 1
1105 1 52 LYS QE 1 52 LYS HG3 . . 3.890 2.748 1.986 3.301 . 0 0 "[ . 1 . 2]" 1
1106 1 52 LYS QE 1 68 VAL QG . . 4.410 3.183 1.956 3.898 . 0 0 "[ . 1 . 2]" 1
1107 1 52 LYS HG2 1 53 ASP H . . 5.500 4.036 3.839 4.277 . 0 0 "[ . 1 . 2]" 1
1108 1 52 LYS HG3 1 68 VAL QG . . 3.810 3.964 3.855 4.056 0.246 3 0 "[ . 1 . 2]" 1
1109 1 53 ASP H 1 53 ASP HB2 . . 3.670 2.611 2.392 2.699 . 0 0 "[ . 1 . 2]" 1
1110 1 53 ASP H 1 53 ASP HB3 . . 3.580 2.426 2.343 2.663 . 0 0 "[ . 1 . 2]" 1
1111 1 53 ASP H 1 70 PRO QB . . 4.820 3.391 3.242 3.519 . 0 0 "[ . 1 . 2]" 1
1112 1 53 ASP HA 1 54 ALA H . . 3.070 2.296 2.252 2.431 . 0 0 "[ . 1 . 2]" 1
1113 1 53 ASP HA 1 54 ALA HA . . 4.690 4.471 4.437 4.557 . 0 0 "[ . 1 . 2]" 1
1114 1 53 ASP HA 1 54 ALA MB . . 4.310 4.079 3.997 4.195 . 0 0 "[ . 1 . 2]" 1
1115 1 53 ASP HA 1 55 SER H . . 4.660 4.162 3.933 4.494 . 0 0 "[ . 1 . 2]" 1
1116 1 53 ASP HA 1 100 VAL MG2 . . 4.670 4.804 4.747 4.906 0.236 20 0 "[ . 1 . 2]" 1
1117 1 53 ASP HB2 1 55 SER H . . 5.500 4.886 4.717 5.127 . 0 0 "[ . 1 . 2]" 1
1118 1 53 ASP HB2 1 100 VAL MG2 . . 4.460 3.710 3.358 3.968 . 0 0 "[ . 1 . 2]" 1
1119 1 53 ASP HB3 1 55 SER H . . 5.500 3.880 3.709 4.064 . 0 0 "[ . 1 . 2]" 1
1120 1 53 ASP HB3 1 70 PRO HA . . 4.190 1.851 1.770 1.977 . 0 0 "[ . 1 . 2]" 1
1121 1 53 ASP HB3 1 70 PRO QB . . 3.560 2.895 2.584 3.085 . 0 0 "[ . 1 . 2]" 1
1122 1 53 ASP HB3 1 70 PRO HD2 . . 4.300 4.387 4.276 4.476 0.176 8 0 "[ . 1 . 2]" 1
1123 1 53 ASP HB3 1 70 PRO HG2 . . 4.670 4.843 4.710 4.972 0.302 20 0 "[ . 1 . 2]" 1
1124 1 54 ALA H 1 54 ALA MB . . 3.570 2.255 2.073 2.381 . 0 0 "[ . 1 . 2]" 1
1125 1 54 ALA H 1 55 SER H . . 3.690 3.404 2.997 3.627 . 0 0 "[ . 1 . 2]" 1
1126 1 54 ALA H 1 68 VAL QG . . 5.500 3.396 2.857 4.347 . 0 0 "[ . 1 . 2]" 1
1127 1 54 ALA HA 1 56 ARG H . . 5.210 3.891 3.580 4.040 . 0 0 "[ . 1 . 2]" 1
1128 1 54 ALA HA 1 57 ALA H . . 5.060 3.275 3.135 3.420 . 0 0 "[ . 1 . 2]" 1
1129 1 54 ALA HA 1 57 ALA MB . . 4.310 2.882 2.567 3.271 . 0 0 "[ . 1 . 2]" 1
1130 1 54 ALA HA 1 58 LEU H . . 5.500 4.147 4.005 4.403 . 0 0 "[ . 1 . 2]" 1
1131 1 54 ALA HA 1 68 VAL HA . . 3.880 2.041 1.918 2.589 . 0 0 "[ . 1 . 2]" 1
1132 1 54 ALA HA 1 68 VAL QG . . 3.180 2.425 1.912 2.960 . 0 0 "[ . 1 . 2]" 1
1133 1 54 ALA HA 1 69 SER H . . 4.090 3.347 2.995 3.867 . 0 0 "[ . 1 . 2]" 1
1134 1 54 ALA MB 1 55 SER H . . 4.440 3.789 3.775 3.793 . 0 0 "[ . 1 . 2]" 1
1135 1 54 ALA MB 1 57 ALA H . . 5.240 3.709 3.541 3.861 . 0 0 "[ . 1 . 2]" 1
1136 1 54 ALA MB 1 57 ALA MB . . 3.700 2.234 1.933 2.512 . 0 0 "[ . 1 . 2]" 1
1137 1 54 ALA MB 1 58 LEU H . . 4.350 3.349 3.055 3.620 . 0 0 "[ . 1 . 2]" 1
1138 1 54 ALA MB 1 58 LEU QD . . 3.760 2.287 1.763 3.271 . 0 0 "[ . 1 . 2]" 1
1139 1 54 ALA MB 1 68 VAL H . . 5.500 4.800 4.387 5.308 . 0 0 "[ . 1 . 2]" 1
1140 1 54 ALA MB 1 68 VAL HA . . 4.540 3.589 3.389 4.162 . 0 0 "[ . 1 . 2]" 1
1141 1 54 ALA MB 1 68 VAL QG . . 3.410 2.534 1.982 3.130 . 0 0 "[ . 1 . 2]" 1
1142 1 54 ALA MB 1 69 SER H . . 5.500 4.865 4.534 5.283 . 0 0 "[ . 1 . 2]" 1
1143 1 55 SER H 1 58 LEU H . . 5.470 4.410 4.306 4.547 . 0 0 "[ . 1 . 2]" 1
1144 1 55 SER H 1 58 LEU HB2 . . 5.500 4.738 4.465 5.139 . 0 0 "[ . 1 . 2]" 1
1145 1 55 SER H 1 58 LEU QD . . 5.500 4.250 3.721 4.691 . 0 0 "[ . 1 . 2]" 1
1146 1 55 SER H 1 68 VAL HA . . 5.500 3.298 2.805 3.933 . 0 0 "[ . 1 . 2]" 1
1147 1 55 SER H 1 68 VAL QG . . 4.530 3.821 3.450 4.254 . 0 0 "[ . 1 . 2]" 1
1148 1 55 SER H 1 69 SER H . . 5.150 2.667 2.071 3.215 . 0 0 "[ . 1 . 2]" 1
1149 1 55 SER H 1 75 LEU QD . . 5.500 4.127 3.616 4.830 . 0 0 "[ . 1 . 2]" 1
1150 1 55 SER HA 1 58 LEU QD . . 3.740 2.837 2.255 3.165 . 0 0 "[ . 1 . 2]" 1
1151 1 55 SER QB 1 83 LEU QD . . 3.210 2.230 1.758 2.929 . 0 0 "[ . 1 . 2]" 1
1152 1 55 SER QB 1 83 LEU HG . . 4.830 2.535 1.946 4.424 . 0 0 "[ . 1 . 2]" 1
1153 1 56 ARG H 1 56 ARG QD . . 5.010 3.838 3.714 4.261 . 0 0 "[ . 1 . 2]" 1
1154 1 56 ARG H 1 56 ARG HG2 . . 3.510 2.172 1.825 3.913 0.403 19 0 "[ . 1 . 2]" 1
1155 1 56 ARG H 1 56 ARG HG3 . . 3.670 2.302 1.905 3.123 . 0 0 "[ . 1 . 2]" 1
1156 1 56 ARG H 1 57 ALA H . . 3.860 2.654 2.564 2.757 . 0 0 "[ . 1 . 2]" 1
1157 1 56 ARG H 1 57 ALA MB . . 5.050 4.165 4.077 4.243 . 0 0 "[ . 1 . 2]" 1
1158 1 56 ARG H 1 58 LEU H . . 5.160 4.005 3.789 4.269 . 0 0 "[ . 1 . 2]" 1
1159 1 56 ARG H 1 68 VAL HA . . 5.480 3.519 2.992 4.396 . 0 0 "[ . 1 . 2]" 1
1160 1 56 ARG H 1 69 SER H . . 4.490 2.771 2.434 3.325 . 0 0 "[ . 1 . 2]" 1
1161 1 56 ARG H 1 69 SER QB . . 4.980 3.619 2.520 4.474 . 0 0 "[ . 1 . 2]" 1
1162 1 56 ARG H 1 75 LEU QD . . 5.230 2.737 2.361 3.386 . 0 0 "[ . 1 . 2]" 1
1163 1 56 ARG HA 1 56 ARG HG2 . . 4.020 2.741 2.450 4.240 0.220 19 0 "[ . 1 . 2]" 1
1164 1 56 ARG HA 1 56 ARG HG3 . . 4.120 3.713 3.306 3.838 . 0 0 "[ . 1 . 2]" 1
1165 1 56 ARG HA 1 59 GLY H . . 4.440 3.256 3.157 3.418 . 0 0 "[ . 1 . 2]" 1
1166 1 56 ARG HA 1 59 GLY HA3 . . 4.720 3.627 3.337 4.038 . 0 0 "[ . 1 . 2]" 1
1167 1 56 ARG HA 1 60 LYS H . . 4.710 3.784 3.251 4.400 . 0 0 "[ . 1 . 2]" 1
1168 1 56 ARG HA 1 75 LEU QD . . 3.410 2.052 1.739 2.296 . 0 0 "[ . 1 . 2]" 1
1169 1 56 ARG HB2 1 57 ALA H . . 5.500 2.652 2.367 4.241 . 0 0 "[ . 1 . 2]" 1
1170 1 56 ARG HB2 1 57 ALA MB . . 4.590 3.875 3.585 5.424 0.834 19 1 "[ . 1 . +2]" 1
1171 1 56 ARG HB2 1 69 SER H . . 5.500 4.116 3.745 5.275 . 0 0 "[ . 1 . 2]" 1
1172 1 56 ARG HB2 1 75 LEU QD . . 3.890 3.638 2.120 3.896 0.006 5 0 "[ . 1 . 2]" 1
1173 1 56 ARG HB3 1 56 ARG QD . . 3.830 2.308 1.962 3.330 . 0 0 "[ . 1 . 2]" 1
1174 1 56 ARG HB3 1 67 ASP HA . . 4.500 3.906 3.062 4.762 0.262 19 0 "[ . 1 . 2]" 1
1175 1 56 ARG HB3 1 67 ASP QB . . 3.920 3.620 3.108 4.191 0.271 19 0 "[ . 1 . 2]" 1
1176 1 56 ARG HB3 1 69 SER H . . 5.500 5.194 3.587 5.560 0.060 3 0 "[ . 1 . 2]" 1
1177 1 56 ARG HB3 1 75 LEU QD . . 3.840 3.040 2.174 3.512 . 0 0 "[ . 1 . 2]" 1
1178 1 56 ARG QD 1 57 ALA H . . 5.320 5.036 3.329 5.272 . 0 0 "[ . 1 . 2]" 1
1179 1 56 ARG HG2 1 57 ALA H . . 4.610 4.237 3.844 4.761 0.151 3 0 "[ . 1 . 2]" 1
1180 1 56 ARG HG2 1 69 SER H . . 4.820 3.700 3.182 4.581 . 0 0 "[ . 1 . 2]" 1
1181 1 56 ARG HG2 1 69 SER QB . . 4.070 3.023 2.004 3.786 . 0 0 "[ . 1 . 2]" 1
1182 1 56 ARG HG3 1 57 ALA H . . 4.210 3.738 2.165 4.477 0.267 7 0 "[ . 1 . 2]" 1
1183 1 56 ARG HG3 1 67 ASP HA . . 4.480 3.986 3.046 4.589 0.109 12 0 "[ . 1 . 2]" 1
1184 1 56 ARG HG3 1 68 VAL H . . 4.800 4.918 4.489 5.142 0.342 14 0 "[ . 1 . 2]" 1
1185 1 56 ARG HG3 1 69 SER H . . 4.590 2.676 2.106 3.810 . 0 0 "[ . 1 . 2]" 1
1186 1 56 ARG HG3 1 69 SER QB . . 3.860 2.147 1.882 3.499 . 0 0 "[ . 1 . 2]" 1
1187 1 57 ALA H 1 57 ALA MB . . 3.190 1.969 1.933 2.072 . 0 0 "[ . 1 . 2]" 1
1188 1 57 ALA H 1 58 LEU H . . 3.570 2.675 2.548 2.755 . 0 0 "[ . 1 . 2]" 1
1189 1 57 ALA H 1 58 LEU HB2 . . 5.500 4.574 4.519 4.658 . 0 0 "[ . 1 . 2]" 1
1190 1 57 ALA H 1 59 GLY H . . 5.500 4.176 4.075 4.275 . 0 0 "[ . 1 . 2]" 1
1191 1 57 ALA H 1 60 LYS H . . 5.470 5.255 5.005 5.473 0.003 13 0 "[ . 1 . 2]" 1
1192 1 57 ALA H 1 67 ASP QB . . 5.500 2.518 1.993 3.994 . 0 0 "[ . 1 . 2]" 1
1193 1 57 ALA H 1 68 VAL HA . . 4.460 3.146 2.662 3.750 . 0 0 "[ . 1 . 2]" 1
1194 1 57 ALA H 1 68 VAL QG . . 4.980 3.905 3.395 4.448 . 0 0 "[ . 1 . 2]" 1
1195 1 57 ALA H 1 69 SER H . . 4.500 4.059 3.678 4.376 . 0 0 "[ . 1 . 2]" 1
1196 1 57 ALA H 1 75 LEU QD . . 5.410 4.377 4.111 4.643 . 0 0 "[ . 1 . 2]" 1
1197 1 57 ALA HA 1 60 LYS H . . 4.200 4.239 3.788 4.416 0.216 7 0 "[ . 1 . 2]" 1
1198 1 57 ALA HA 1 60 LYS QB . . 3.820 3.741 3.226 3.911 0.091 1 0 "[ . 1 . 2]" 1
1199 1 57 ALA HA 1 60 LYS QD . . 4.260 3.839 3.217 4.300 0.040 18 0 "[ . 1 . 2]" 1
1200 1 57 ALA HA 1 61 MET H . . 4.770 3.671 3.392 3.909 . 0 0 "[ . 1 . 2]" 1
1201 1 57 ALA HA 1 62 SER H . . 4.250 2.597 2.354 2.825 . 0 0 "[ . 1 . 2]" 1
1202 1 57 ALA HA 1 62 SER HB3 . . 3.710 3.403 3.008 3.847 0.137 13 0 "[ . 1 . 2]" 1
1203 1 57 ALA HA 1 64 ASN QB . . 4.210 4.129 3.808 4.337 0.127 19 0 "[ . 1 . 2]" 1
1204 1 57 ALA HA 1 67 ASP QB . . 3.780 2.468 1.904 3.436 . 0 0 "[ . 1 . 2]" 1
1205 1 57 ALA HA 1 68 VAL H . . 5.480 5.297 4.804 5.691 0.211 18 0 "[ . 1 . 2]" 1
1206 1 57 ALA MB 1 58 LEU H . . 3.500 2.750 2.510 2.909 . 0 0 "[ . 1 . 2]" 1
1207 1 57 ALA MB 1 58 LEU HA . . 4.790 3.772 3.701 3.811 . 0 0 "[ . 1 . 2]" 1
1208 1 57 ALA MB 1 58 LEU HB2 . . 4.430 4.362 4.194 4.504 0.074 4 0 "[ . 1 . 2]" 1
1209 1 57 ALA MB 1 58 LEU QD . . 4.550 3.469 2.337 4.039 . 0 0 "[ . 1 . 2]" 1
1210 1 57 ALA MB 1 62 SER H . . 4.250 3.456 3.156 3.820 . 0 0 "[ . 1 . 2]" 1
1211 1 57 ALA MB 1 62 SER HB2 . . 4.550 4.655 4.591 4.809 0.259 19 0 "[ . 1 . 2]" 1
1212 1 57 ALA MB 1 62 SER HB3 . . 4.030 3.711 3.511 4.037 0.007 19 0 "[ . 1 . 2]" 1
1213 1 57 ALA MB 1 64 ASN H . . 4.710 2.738 2.104 3.512 . 0 0 "[ . 1 . 2]" 1
1214 1 57 ALA MB 1 64 ASN QB . . 3.980 3.591 3.282 3.893 . 0 0 "[ . 1 . 2]" 1
1215 1 57 ALA MB 1 67 ASP QB . . 3.840 2.313 1.911 3.723 . 0 0 "[ . 1 . 2]" 1
1216 1 57 ALA MB 1 68 VAL H . . 4.680 3.280 2.657 3.792 . 0 0 "[ . 1 . 2]" 1
1217 1 57 ALA MB 1 68 VAL HA . . 3.350 3.072 2.786 3.494 0.144 7 0 "[ . 1 . 2]" 1
1218 1 57 ALA MB 1 68 VAL QG . . 3.110 2.641 2.077 3.230 0.120 11 0 "[ . 1 . 2]" 1
1219 1 57 ALA MB 1 69 SER H . . 4.800 4.656 4.120 5.017 0.217 11 0 "[ . 1 . 2]" 1
1220 1 58 LEU H 1 58 LEU HB2 . . 3.350 2.137 2.079 2.219 . 0 0 "[ . 1 . 2]" 1
1221 1 58 LEU H 1 58 LEU HB3 . . 3.810 3.438 3.394 3.489 . 0 0 "[ . 1 . 2]" 1
1222 1 58 LEU H 1 58 LEU QD . . 3.890 2.952 2.027 3.433 . 0 0 "[ . 1 . 2]" 1
1223 1 58 LEU H 1 58 LEU HG . . 3.760 3.267 2.734 4.150 0.390 8 0 "[ . 1 . 2]" 1
1224 1 58 LEU H 1 59 GLY H . . 3.400 2.601 2.494 2.776 . 0 0 "[ . 1 . 2]" 1
1225 1 58 LEU H 1 59 GLY HA2 . . 5.500 5.179 5.095 5.319 . 0 0 "[ . 1 . 2]" 1
1226 1 58 LEU H 1 59 GLY HA3 . . 5.190 4.810 4.718 4.957 . 0 0 "[ . 1 . 2]" 1
1227 1 58 LEU H 1 61 MET HA . . 4.800 4.899 4.796 4.997 0.197 6 0 "[ . 1 . 2]" 1
1228 1 58 LEU H 1 83 LEU QD . . 4.780 4.104 3.509 4.699 . 0 0 "[ . 1 . 2]" 1
1229 1 58 LEU HA 1 58 LEU QD . . 3.110 2.181 1.950 2.381 . 0 0 "[ . 1 . 2]" 1
1230 1 58 LEU HA 1 58 LEU HG . . 3.630 2.656 2.537 2.909 . 0 0 "[ . 1 . 2]" 1
1231 1 58 LEU HA 1 59 GLY HA2 . . 4.420 4.868 4.828 4.908 0.488 18 0 "[ . 1 . 2]" 1
1232 1 58 LEU HA 1 61 MET H . . 4.240 3.640 3.483 3.838 . 0 0 "[ . 1 . 2]" 1
1233 1 58 LEU HA 1 61 MET HA . . 4.300 3.055 2.865 3.213 . 0 0 "[ . 1 . 2]" 1
1234 1 58 LEU HA 1 86 TRP HD1 . . 4.630 3.572 3.229 3.964 . 0 0 "[ . 1 . 2]" 1
1235 1 58 LEU HA 1 86 TRP HE1 . . 4.640 3.220 3.036 3.444 . 0 0 "[ . 1 . 2]" 1
1236 1 58 LEU HB2 1 59 GLY H . . 4.000 2.834 2.674 3.064 . 0 0 "[ . 1 . 2]" 1
1237 1 58 LEU HB2 1 83 LEU QD . . 3.910 2.708 2.102 3.457 . 0 0 "[ . 1 . 2]" 1
1238 1 58 LEU HB2 1 86 TRP HD1 . . 4.630 3.707 3.505 3.907 . 0 0 "[ . 1 . 2]" 1
1239 1 58 LEU HB3 1 58 LEU QD . . 3.270 2.190 2.047 2.413 . 0 0 "[ . 1 . 2]" 1
1240 1 58 LEU HB3 1 59 GLY H . . 4.450 3.362 3.156 3.514 . 0 0 "[ . 1 . 2]" 1
1241 1 58 LEU HB3 1 82 THR MG . . 3.760 3.810 3.575 3.922 0.162 4 0 "[ . 1 . 2]" 1
1242 1 58 LEU HB3 1 83 LEU HA . . 4.220 2.964 2.264 3.540 . 0 0 "[ . 1 . 2]" 1
1243 1 58 LEU HB3 1 83 LEU QD . . 4.320 3.123 2.477 3.882 . 0 0 "[ . 1 . 2]" 1
1244 1 58 LEU HB3 1 86 TRP HB2 . . 4.590 2.843 2.189 3.374 . 0 0 "[ . 1 . 2]" 1
1245 1 58 LEU HB3 1 86 TRP HB3 . . 4.520 2.829 2.455 3.317 . 0 0 "[ . 1 . 2]" 1
1246 1 58 LEU HB3 1 86 TRP HD1 . . 3.910 2.237 2.058 2.460 . 0 0 "[ . 1 . 2]" 1
1247 1 58 LEU HB3 1 86 TRP HE1 . . 5.090 3.738 3.436 4.025 . 0 0 "[ . 1 . 2]" 1
1248 1 58 LEU QD 1 59 GLY H . . 4.710 4.082 3.887 4.219 . 0 0 "[ . 1 . 2]" 1
1249 1 58 LEU QD 1 83 LEU QD . . 3.720 2.820 2.363 3.506 . 0 0 "[ . 1 . 2]" 1
1250 1 58 LEU QD 1 86 TRP HB2 . . 4.240 3.327 2.660 3.833 . 0 0 "[ . 1 . 2]" 1
1251 1 58 LEU QD 1 86 TRP HB3 . . 4.570 2.360 1.764 2.935 . 0 0 "[ . 1 . 2]" 1
1252 1 58 LEU QD 1 86 TRP HD1 . . 4.570 3.429 3.038 3.843 . 0 0 "[ . 1 . 2]" 1
1253 1 58 LEU QD 1 86 TRP HE1 . . 4.550 3.367 2.693 4.310 . 0 0 "[ . 1 . 2]" 1
1254 1 58 LEU QD 1 86 TRP HE3 . . 4.750 3.217 2.495 3.768 . 0 0 "[ . 1 . 2]" 1
1255 1 58 LEU QD 1 86 TRP HZ2 . . 4.690 3.746 2.946 4.604 . 0 0 "[ . 1 . 2]" 1
1256 1 58 LEU HG 1 86 TRP HE1 . . 5.500 4.964 3.827 5.550 0.050 1 0 "[ . 1 . 2]" 1
1257 1 59 GLY H 1 60 LYS HA . . 5.500 5.525 5.410 5.631 0.131 7 0 "[ . 1 . 2]" 1
1258 1 59 GLY H 1 75 LEU QD . . 4.460 3.439 3.190 3.799 . 0 0 "[ . 1 . 2]" 1
1259 1 59 GLY H 1 82 THR MG . . 4.180 4.105 3.873 4.327 0.147 13 0 "[ . 1 . 2]" 1
1260 1 59 GLY H 1 83 LEU H . . 5.070 4.305 4.077 4.628 . 0 0 "[ . 1 . 2]" 1
1261 1 59 GLY H 1 83 LEU HB2 . . 4.550 2.685 2.361 3.132 . 0 0 "[ . 1 . 2]" 1
1262 1 59 GLY H 1 83 LEU HB3 . . 5.300 4.363 3.988 4.815 . 0 0 "[ . 1 . 2]" 1
1263 1 59 GLY H 1 83 LEU QD . . 4.100 3.502 3.090 3.938 . 0 0 "[ . 1 . 2]" 1
1264 1 59 GLY HA2 1 61 MET H . . 5.040 4.094 3.922 4.252 . 0 0 "[ . 1 . 2]" 1
1265 1 59 GLY HA2 1 75 LEU QD . . 4.310 4.129 3.795 4.543 0.233 17 0 "[ . 1 . 2]" 1
1266 1 59 GLY HA2 1 82 THR HB . . 3.860 1.984 1.910 2.183 . 0 0 "[ . 1 . 2]" 1
1267 1 59 GLY HA2 1 82 THR MG . . 3.080 2.348 1.949 2.769 . 0 0 "[ . 1 . 2]" 1
1268 1 59 GLY HA2 1 83 LEU H . . 3.570 2.255 2.050 2.623 . 0 0 "[ . 1 . 2]" 1
1269 1 59 GLY HA2 1 83 LEU HB2 . . 3.860 2.875 2.721 3.101 . 0 0 "[ . 1 . 2]" 1
1270 1 59 GLY HA2 1 83 LEU HB3 . . 4.390 3.693 3.424 4.025 . 0 0 "[ . 1 . 2]" 1
1271 1 59 GLY HA3 1 61 MET H . . 5.200 3.981 3.872 4.132 . 0 0 "[ . 1 . 2]" 1
1272 1 59 GLY HA3 1 75 LEU QD . . 4.030 3.114 2.875 3.506 . 0 0 "[ . 1 . 2]" 1
1273 1 59 GLY HA3 1 82 THR HB . . 4.380 3.247 3.054 3.458 . 0 0 "[ . 1 . 2]" 1
1274 1 59 GLY HA3 1 82 THR MG . . 4.460 3.809 3.457 4.155 . 0 0 "[ . 1 . 2]" 1
1275 1 59 GLY HA3 1 83 LEU H . . 4.270 3.032 2.853 3.192 . 0 0 "[ . 1 . 2]" 1
1276 1 59 GLY HA3 1 83 LEU HB2 . . 3.890 2.546 2.201 2.716 . 0 0 "[ . 1 . 2]" 1
1277 1 59 GLY HA3 1 83 LEU HB3 . . 4.440 3.529 3.295 3.774 . 0 0 "[ . 1 . 2]" 1
1278 1 59 GLY HA3 1 83 LEU QD . . 4.820 4.164 3.700 4.367 . 0 0 "[ . 1 . 2]" 1
1279 1 60 LYS H 1 60 LYS QB . . 3.440 2.536 2.467 2.618 . 0 0 "[ . 1 . 2]" 1
1280 1 60 LYS H 1 60 LYS QD . . 3.810 2.626 1.858 3.604 . 0 0 "[ . 1 . 2]" 1
1281 1 60 LYS H 1 60 LYS QG . . 3.760 2.082 1.888 2.319 . 0 0 "[ . 1 . 2]" 1
1282 1 60 LYS H 1 61 MET H . . 3.200 2.645 2.585 2.717 . 0 0 "[ . 1 . 2]" 1
1283 1 60 LYS H 1 61 MET HA . . 5.290 4.821 4.757 4.897 . 0 0 "[ . 1 . 2]" 1
1284 1 60 LYS H 1 61 MET QB . . 5.500 5.347 5.217 5.459 . 0 0 "[ . 1 . 2]" 1
1285 1 60 LYS H 1 62 SER H . . 4.560 4.380 4.065 4.578 0.018 13 0 "[ . 1 . 2]" 1
1286 1 60 LYS H 1 75 LEU QD . . 4.580 4.206 3.950 4.487 . 0 0 "[ . 1 . 2]" 1
1287 1 60 LYS H 1 78 LYS QD . . 4.620 4.521 4.224 4.690 0.070 3 0 "[ . 1 . 2]" 1
1288 1 60 LYS H 1 78 LYS QG . . 4.090 4.097 3.976 4.266 0.176 19 0 "[ . 1 . 2]" 1
1289 1 60 LYS H 1 83 LEU HB2 . . 4.760 4.790 4.424 4.971 0.211 10 0 "[ . 1 . 2]" 1
1290 1 60 LYS HA 1 60 LYS QD . . 4.400 3.967 3.722 4.162 . 0 0 "[ . 1 . 2]" 1
1291 1 60 LYS HA 1 60 LYS QG . . 3.870 2.455 2.379 2.518 . 0 0 "[ . 1 . 2]" 1
1292 1 60 LYS HA 1 78 LYS QG . . 3.360 3.033 2.379 3.377 0.017 11 0 "[ . 1 . 2]" 1
1293 1 60 LYS QB 1 61 MET H . . 4.610 3.128 3.018 3.249 . 0 0 "[ . 1 . 2]" 1
1294 1 60 LYS QB 1 61 MET HA . . 4.690 4.700 4.616 4.787 0.097 6 0 "[ . 1 . 2]" 1
1295 1 60 LYS QB 1 61 MET HG3 . . 4.730 4.748 4.433 5.001 0.271 20 0 "[ . 1 . 2]" 1
1296 1 60 LYS QB 1 62 SER H . . 4.340 3.241 2.887 3.467 . 0 0 "[ . 1 . 2]" 1
1297 1 60 LYS QB 1 62 SER HA . . 4.750 4.751 4.564 4.935 0.185 15 0 "[ . 1 . 2]" 1
1298 1 60 LYS QB 1 62 SER HB2 . . 3.920 2.794 2.631 2.897 . 0 0 "[ . 1 . 2]" 1
1299 1 60 LYS QB 1 62 SER HB3 . . 4.110 4.006 3.810 4.178 0.068 19 0 "[ . 1 . 2]" 1
1300 1 60 LYS QD 1 62 SER H . . 4.970 4.480 3.885 4.937 . 0 0 "[ . 1 . 2]" 1
1301 1 60 LYS QD 1 62 SER HB2 . . 4.610 3.941 3.717 4.134 . 0 0 "[ . 1 . 2]" 1
1302 1 60 LYS QD 1 62 SER HB3 . . 4.780 4.608 4.317 4.858 0.078 19 0 "[ . 1 . 2]" 1
1303 1 60 LYS QE 1 75 LEU QD . . 4.230 3.505 2.883 4.025 . 0 0 "[ . 1 . 2]" 1
1304 1 61 MET H 1 61 MET HA . . 2.580 2.180 2.175 2.188 . 0 0 "[ . 1 . 2]" 1
1305 1 61 MET H 1 61 MET QB . . 3.830 3.427 3.349 3.476 . 0 0 "[ . 1 . 2]" 1
1306 1 61 MET H 1 61 MET HG2 . . 4.010 3.488 2.639 4.079 0.069 13 0 "[ . 1 . 2]" 1
1307 1 61 MET H 1 61 MET HG3 . . 3.870 2.954 2.538 3.890 0.020 8 0 "[ . 1 . 2]" 1
1308 1 61 MET H 1 62 SER H . . 3.430 2.621 2.464 2.737 . 0 0 "[ . 1 . 2]" 1
1309 1 61 MET H 1 62 SER HB3 . . 5.220 5.297 5.215 5.354 0.134 14 0 "[ . 1 . 2]" 1
1310 1 61 MET H 1 86 TRP HE1 . . 5.500 4.500 4.054 5.056 . 0 0 "[ . 1 . 2]" 1
1311 1 61 MET HA 1 61 MET HG2 . . 3.900 2.798 2.584 3.139 . 0 0 "[ . 1 . 2]" 1
1312 1 61 MET HA 1 61 MET HG3 . . 3.670 3.070 2.604 3.777 0.107 12 0 "[ . 1 . 2]" 1
1313 1 61 MET HA 1 62 SER H . . 3.400 2.769 2.663 2.975 . 0 0 "[ . 1 . 2]" 1
1314 1 61 MET HA 1 86 TRP HE1 . . 5.380 3.636 2.980 4.340 . 0 0 "[ . 1 . 2]" 1
1315 1 61 MET QB 1 62 SER H . . 4.560 3.942 3.850 3.969 . 0 0 "[ . 1 . 2]" 1
1316 1 61 MET QB 1 62 SER HA . . 4.490 4.215 4.153 4.235 . 0 0 "[ . 1 . 2]" 1
1317 1 61 MET QB 1 82 THR MG . . 4.280 3.868 3.598 4.243 . 0 0 "[ . 1 . 2]" 1
1318 1 61 MET ME 1 61 MET HG2 . . 4.010 2.219 1.980 2.946 . 0 0 "[ . 1 . 2]" 1
1319 1 61 MET ME 1 82 THR MG . . 4.190 2.034 1.712 3.056 . 0 0 "[ . 1 . 2]" 1
1320 1 61 MET ME 1 86 TRP HD1 . . 4.630 4.283 3.442 4.698 0.068 12 0 "[ . 1 . 2]" 1
1321 1 61 MET ME 1 86 TRP HE1 . . 4.570 2.664 1.844 3.399 . 0 0 "[ . 1 . 2]" 1
1322 1 61 MET ME 1 86 TRP HZ2 . . 4.250 3.413 2.147 4.331 0.081 8 0 "[ . 1 . 2]" 1
1323 1 61 MET HG2 1 82 THR MG . . 3.360 2.403 1.884 2.873 . 0 0 "[ . 1 . 2]" 1
1324 1 61 MET HG2 1 86 TRP HE1 . . 4.800 2.358 1.899 2.772 . 0 0 "[ . 1 . 2]" 1
1325 1 61 MET HG3 1 62 SER H . . 5.280 4.932 4.712 5.520 0.240 8 0 "[ . 1 . 2]" 1
1326 1 61 MET HG3 1 82 THR MG . . 3.610 2.420 1.904 3.030 . 0 0 "[ . 1 . 2]" 1
1327 1 62 SER H 1 62 SER HB2 . . 3.590 2.508 2.276 2.676 . 0 0 "[ . 1 . 2]" 1
1328 1 62 SER H 1 62 SER HB3 . . 3.470 2.905 2.795 3.086 . 0 0 "[ . 1 . 2]" 1
1329 1 62 SER H 1 64 ASN QB . . 5.500 4.997 4.711 5.376 . 0 0 "[ . 1 . 2]" 1
1330 1 62 SER HB2 1 63 LYS H . . 4.640 3.878 3.548 4.351 . 0 0 "[ . 1 . 2]" 1
1331 1 62 SER HB2 1 64 ASN H . . 4.780 3.877 3.625 4.173 . 0 0 "[ . 1 . 2]" 1
1332 1 62 SER HB2 1 64 ASN QB . . 4.770 4.142 3.852 4.475 . 0 0 "[ . 1 . 2]" 1
1333 1 62 SER HB3 1 63 LYS H . . 4.990 3.084 2.460 3.583 . 0 0 "[ . 1 . 2]" 1
1334 1 62 SER HB3 1 64 ASN H . . 4.820 2.211 2.015 2.444 . 0 0 "[ . 1 . 2]" 1
1335 1 62 SER HB3 1 64 ASN QB . . 4.280 2.716 2.479 3.133 . 0 0 "[ . 1 . 2]" 1
1336 1 63 LYS H 1 63 LYS HB3 . . 3.650 3.504 2.656 4.079 0.429 2 0 "[ . 1 . 2]" 1
1337 1 63 LYS H 1 63 LYS HG2 . . 4.370 3.261 2.032 4.269 . 0 0 "[ . 1 . 2]" 1
1338 1 63 LYS H 1 63 LYS HG3 . . 4.120 3.281 1.966 4.180 0.060 5 0 "[ . 1 . 2]" 1
1339 1 63 LYS H 1 64 ASN H . . 3.180 2.589 2.252 2.858 . 0 0 "[ . 1 . 2]" 1
1340 1 63 LYS H 1 64 ASN QB . . 5.150 4.376 3.973 4.665 . 0 0 "[ . 1 . 2]" 1
1341 1 63 LYS HA 1 63 LYS QD . . 4.700 3.960 3.360 4.346 . 0 0 "[ . 1 . 2]" 1
1342 1 63 LYS HA 1 63 LYS HG2 . . 3.800 3.183 2.138 4.106 0.306 7 0 "[ . 1 . 2]" 1
1343 1 63 LYS HA 1 63 LYS HG3 . . 4.120 3.322 2.430 3.820 . 0 0 "[ . 1 . 2]" 1
1344 1 63 LYS HB2 1 63 LYS QD . . 3.520 2.399 1.983 2.996 . 0 0 "[ . 1 . 2]" 1
1345 1 63 LYS HB2 1 64 ASN H . . 4.710 4.298 3.802 4.663 . 0 0 "[ . 1 . 2]" 1
1346 1 63 LYS HB3 1 64 ASN H . . 4.520 4.563 4.374 4.707 0.187 8 0 "[ . 1 . 2]" 1
1347 1 63 LYS HG3 1 64 ASN H . . 5.210 4.460 3.659 5.232 0.022 6 0 "[ . 1 . 2]" 1
1348 1 64 ASN H 1 64 ASN QB . . 3.350 2.188 2.096 2.317 . 0 0 "[ . 1 . 2]" 1
1349 1 64 ASN H 1 64 ASN HD21 . . 5.010 4.636 4.214 4.851 . 0 0 "[ . 1 . 2]" 1
1350 1 64 ASN H 1 64 ASN HD22 . . 4.830 5.196 4.840 5.764 0.934 14 5 "[ * * * +. - 2]" 1
1351 1 64 ASN H 1 65 GLU H . . 4.970 4.627 4.562 4.666 . 0 0 "[ . 1 . 2]" 1
1352 1 64 ASN H 1 67 ASP H . . 5.000 4.258 3.929 4.540 . 0 0 "[ . 1 . 2]" 1
1353 1 64 ASN H 1 67 ASP QB . . 4.600 2.939 2.587 3.534 . 0 0 "[ . 1 . 2]" 1
1354 1 64 ASN HA 1 65 GLU H . . 2.870 2.333 2.275 2.452 . 0 0 "[ . 1 . 2]" 1
1355 1 64 ASN HA 1 65 GLU HA . . 4.220 4.340 4.325 4.358 0.138 11 0 "[ . 1 . 2]" 1
1356 1 64 ASN HA 1 65 GLU QB . . 4.150 4.124 4.071 4.335 0.185 8 0 "[ . 1 . 2]" 1
1357 1 64 ASN HA 1 66 GLU H . . 5.070 3.809 3.658 4.004 . 0 0 "[ . 1 . 2]" 1
1358 1 64 ASN QB 1 64 ASN HD22 . . 3.800 3.332 3.232 3.518 . 0 0 "[ . 1 . 2]" 1
1359 1 64 ASN QB 1 65 GLU H . . 4.150 3.188 2.682 3.799 . 0 0 "[ . 1 . 2]" 1
1360 1 64 ASN QB 1 66 GLU H . . 3.710 2.537 2.153 3.279 . 0 0 "[ . 1 . 2]" 1
1361 1 64 ASN QB 1 66 GLU QG . . 4.620 3.587 3.091 3.913 . 0 0 "[ . 1 . 2]" 1
1362 1 64 ASN QB 1 67 ASP H . . 3.920 2.157 1.897 2.437 . 0 0 "[ . 1 . 2]" 1
1363 1 64 ASN QB 1 67 ASP HA . . 3.910 3.767 3.515 3.972 0.062 5 0 "[ . 1 . 2]" 1
1364 1 64 ASN QB 1 68 VAL H . . 4.510 4.113 3.891 4.653 0.143 18 0 "[ . 1 . 2]" 1
1365 1 64 ASN HD21 1 66 GLU QB . . 5.500 4.055 2.953 4.944 . 0 0 "[ . 1 . 2]" 1
1366 1 64 ASN HD21 1 66 GLU QG . . 4.800 3.425 3.019 3.894 . 0 0 "[ . 1 . 2]" 1
1367 1 64 ASN HD22 1 66 GLU H . . 5.400 4.488 2.348 5.488 0.088 12 0 "[ . 1 . 2]" 1
1368 1 64 ASN HD22 1 66 GLU QG . . 5.450 4.100 1.716 5.189 . 0 0 "[ . 1 . 2]" 1
1369 1 65 GLU H 1 65 GLU QB . . 3.440 2.117 2.002 2.203 . 0 0 "[ . 1 . 2]" 1
1370 1 65 GLU H 1 65 GLU QG . . 3.730 3.650 2.678 3.887 0.157 19 0 "[ . 1 . 2]" 1
1371 1 65 GLU H 1 67 ASP H . . 5.500 3.928 3.798 4.100 . 0 0 "[ . 1 . 2]" 1
1372 1 65 GLU H 1 68 VAL QG . . 5.480 4.356 3.789 5.150 . 0 0 "[ . 1 . 2]" 1
1373 1 65 GLU HA 1 65 GLU QG . . 3.730 2.145 2.041 2.240 . 0 0 "[ . 1 . 2]" 1
1374 1 65 GLU HA 1 67 ASP H . . 4.410 4.035 3.876 4.437 0.027 19 0 "[ . 1 . 2]" 1
1375 1 65 GLU HA 1 68 VAL H . . 4.180 3.705 3.386 3.952 . 0 0 "[ . 1 . 2]" 1
1376 1 65 GLU HA 1 68 VAL HB . . 4.390 4.157 3.486 4.642 0.252 11 0 "[ . 1 . 2]" 1
1377 1 65 GLU HA 1 68 VAL QG . . 3.080 2.328 1.795 3.078 . 0 0 "[ . 1 . 2]" 1
1378 1 65 GLU QB 1 66 GLU QG . . 2.780 2.951 2.838 3.038 0.258 8 0 "[ . 1 . 2]" 1
1379 1 66 GLU H 1 66 GLU QB . . 3.320 2.721 2.601 2.918 . 0 0 "[ . 1 . 2]" 1
1380 1 66 GLU H 1 66 GLU QG . . 4.140 1.918 1.759 2.224 . 0 0 "[ . 1 . 2]" 1
1381 1 66 GLU H 1 67 ASP H . . 3.610 2.235 2.212 2.280 . 0 0 "[ . 1 . 2]" 1
1382 1 66 GLU H 1 68 VAL H . . 5.170 4.034 3.747 4.324 . 0 0 "[ . 1 . 2]" 1
1383 1 66 GLU H 1 68 VAL QG . . 5.360 4.132 3.588 4.926 . 0 0 "[ . 1 . 2]" 1
1384 1 66 GLU HA 1 67 ASP HA . . 4.030 4.753 4.678 4.836 0.806 19 20 [***********-******+*] 1
1385 1 66 GLU HA 1 68 VAL H . . 4.130 4.067 3.282 4.494 0.364 13 0 "[ . 1 . 2]" 1
1386 1 66 GLU QB 1 67 ASP H . . 4.690 3.163 2.845 3.341 . 0 0 "[ . 1 . 2]" 1
1387 1 66 GLU QB 1 67 ASP HA . . 4.520 3.884 3.775 3.950 . 0 0 "[ . 1 . 2]" 1
1388 1 67 ASP H 1 68 VAL H . . 3.200 2.554 2.330 2.757 . 0 0 "[ . 1 . 2]" 1
1389 1 67 ASP H 1 68 VAL QG . . 4.180 3.503 3.006 4.115 . 0 0 "[ . 1 . 2]" 1
1390 1 67 ASP QB 1 68 VAL H . . 4.730 2.830 2.484 3.646 . 0 0 "[ . 1 . 2]" 1
1391 1 68 VAL H 1 68 VAL HB . . 3.160 2.681 2.203 3.405 0.245 10 0 "[ . 1 . 2]" 1
1392 1 68 VAL H 1 68 VAL QG . . 3.150 1.986 1.659 2.611 . 0 0 "[ . 1 . 2]" 1
1393 1 68 VAL H 1 69 SER HA . . 5.500 5.440 5.070 5.680 0.180 5 0 "[ . 1 . 2]" 1
1394 1 68 VAL H 1 69 SER QB . . 5.500 5.175 4.715 5.572 0.072 2 0 "[ . 1 . 2]" 1
1395 1 68 VAL HA 1 68 VAL QG . . 2.970 2.271 2.062 2.540 . 0 0 "[ . 1 . 2]" 1
1396 1 68 VAL HA 1 69 SER H . . 3.110 2.215 2.182 2.364 . 0 0 "[ . 1 . 2]" 1
1397 1 68 VAL HB 1 69 SER H . . 5.030 4.277 3.627 4.608 . 0 0 "[ . 1 . 2]" 1
1398 1 68 VAL QG 1 69 SER H . . 4.160 3.095 2.662 3.529 . 0 0 "[ . 1 . 2]" 1
1399 1 68 VAL QG 1 69 SER HA . . 4.730 3.516 3.175 4.146 . 0 0 "[ . 1 . 2]" 1
1400 1 69 SER H 1 69 SER QB . . 3.710 2.635 2.324 3.065 . 0 0 "[ . 1 . 2]" 1
1401 1 69 SER HA 1 70 PRO HA . . 4.620 4.388 4.364 4.429 . 0 0 "[ . 1 . 2]" 1
1402 1 69 SER HA 1 70 PRO HD2 . . 3.070 2.363 2.231 2.493 . 0 0 "[ . 1 . 2]" 1
1403 1 69 SER HA 1 70 PRO HD3 . . 3.120 1.973 1.939 2.077 . 0 0 "[ . 1 . 2]" 1
1404 1 69 SER HA 1 70 PRO HG2 . . 4.670 4.427 4.375 4.498 . 0 0 "[ . 1 . 2]" 1
1405 1 69 SER HA 1 70 PRO HG3 . . 4.410 4.229 4.210 4.295 . 0 0 "[ . 1 . 2]" 1
1406 1 69 SER HA 1 71 SER H . . 4.800 3.520 3.328 3.648 . 0 0 "[ . 1 . 2]" 1
1407 1 69 SER QB 1 70 PRO HD2 . . 3.670 3.301 2.734 3.725 0.055 2 0 "[ . 1 . 2]" 1
1408 1 69 SER QB 1 71 SER H . . 4.440 2.816 2.225 3.438 . 0 0 "[ . 1 . 2]" 1
1409 1 70 PRO HA 1 71 SER QB . . 4.190 4.660 4.583 4.753 0.563 20 7 "[ * . *1* - . ** +]" 1
1410 1 70 PRO QB 1 71 SER H . . 3.980 3.866 3.838 3.899 . 0 0 "[ . 1 . 2]" 1
1411 1 70 PRO QB 1 71 SER QB . . 3.920 3.854 3.765 4.016 0.096 20 0 "[ . 1 . 2]" 1
1412 1 70 PRO HD2 1 71 SER H . . 3.420 2.885 2.816 2.972 . 0 0 "[ . 1 . 2]" 1
1413 1 70 PRO HD3 1 71 SER H . . 3.920 3.917 3.882 3.964 0.044 1 0 "[ . 1 . 2]" 1
1414 1 70 PRO HG2 1 71 SER H . . 4.000 4.053 3.980 4.143 0.143 1 0 "[ . 1 . 2]" 1
1415 1 71 SER H 1 71 SER QB . . 3.380 2.807 2.740 2.851 . 0 0 "[ . 1 . 2]" 1
1416 1 71 SER HA 1 72 LEU H . . 2.800 2.289 2.218 2.431 . 0 0 "[ . 1 . 2]" 1
1417 1 71 SER HA 1 72 LEU QB . . 4.140 4.503 4.331 4.667 0.527 17 1 "[ . 1 . + 2]" 1
1418 1 71 SER HA 1 72 LEU QD . . 4.730 3.658 2.812 4.464 . 0 0 "[ . 1 . 2]" 1
1419 1 71 SER HA 1 72 LEU HG . . 4.150 4.046 3.507 4.265 0.115 1 0 "[ . 1 . 2]" 1
1420 1 71 SER HA 1 73 GLU H . . 4.240 4.151 3.697 4.360 0.120 7 0 "[ . 1 . 2]" 1
1421 1 71 SER QB 1 72 LEU H . . 4.760 3.466 2.914 4.026 . 0 0 "[ . 1 . 2]" 1
1422 1 71 SER QB 1 73 GLU H . . 4.870 3.440 2.501 4.014 . 0 0 "[ . 1 . 2]" 1
1423 1 72 LEU H 1 72 LEU QB . . 3.560 2.615 2.168 2.896 . 0 0 "[ . 1 . 2]" 1
1424 1 72 LEU H 1 72 LEU QD . . 4.020 2.350 1.809 3.391 . 0 0 "[ . 1 . 2]" 1
1425 1 72 LEU H 1 72 LEU HG . . 3.640 2.263 1.924 2.914 . 0 0 "[ . 1 . 2]" 1
1426 1 72 LEU H 1 73 GLU H . . 3.410 3.307 2.821 3.571 0.161 7 0 "[ . 1 . 2]" 1
1427 1 72 LEU H 1 73 GLU QG . . 5.500 4.558 3.828 5.656 0.156 20 0 "[ . 1 . 2]" 1
1428 1 72 LEU HA 1 72 LEU QD . . 3.090 2.790 1.911 3.370 0.280 4 0 "[ . 1 . 2]" 1
1429 1 72 LEU HA 1 72 LEU HG . . 3.740 3.494 2.879 3.900 0.160 13 0 "[ . 1 . 2]" 1
1430 1 72 LEU HA 1 75 LEU H . . 4.930 3.329 2.875 4.951 0.021 20 0 "[ . 1 . 2]" 1
1431 1 72 LEU HA 1 75 LEU QD . . 3.250 2.224 1.739 3.349 0.099 20 0 "[ . 1 . 2]" 1
1432 1 72 LEU HA 1 75 LEU HG . . 4.120 3.445 2.622 4.355 0.235 8 0 "[ . 1 . 2]" 1
1433 1 72 LEU QB 1 72 LEU HG . . 2.790 2.370 2.230 2.497 . 0 0 "[ . 1 . 2]" 1
1434 1 72 LEU QB 1 73 GLU H . . 4.500 3.702 2.431 4.086 . 0 0 "[ . 1 . 2]" 1
1435 1 72 LEU QB 1 73 GLU HA . . 4.710 4.419 3.847 4.741 0.031 13 0 "[ . 1 . 2]" 1
1436 1 72 LEU QB 1 74 GLY H . . 5.500 3.974 2.875 5.679 0.179 20 0 "[ . 1 . 2]" 1
1437 1 72 LEU QD 1 73 GLU H . . 4.700 3.683 1.813 4.519 . 0 0 "[ . 1 . 2]" 1
1438 1 72 LEU QD 1 75 LEU H . . 5.500 4.149 2.398 5.145 . 0 0 "[ . 1 . 2]" 1
1439 1 73 GLU H 1 73 GLU QB . . 3.180 2.509 2.117 3.107 . 0 0 "[ . 1 . 2]" 1
1440 1 73 GLU H 1 73 GLU QG . . 4.000 2.692 1.866 3.568 . 0 0 "[ . 1 . 2]" 1
1441 1 73 GLU H 1 74 GLY H . . 5.500 3.491 2.558 4.647 . 0 0 "[ . 1 . 2]" 1
1442 1 73 GLU H 1 75 LEU QD . . 5.270 3.948 3.156 4.860 . 0 0 "[ . 1 . 2]" 1
1443 1 73 GLU HA 1 73 GLU QG . . 3.690 2.469 1.972 3.333 . 0 0 "[ . 1 . 2]" 1
1444 1 73 GLU HA 1 74 GLY H . . 3.050 2.663 2.266 3.152 0.102 12 0 "[ . 1 . 2]" 1
1445 1 73 GLU HA 1 75 LEU H . . 4.300 4.238 3.944 4.392 0.092 20 0 "[ . 1 . 2]" 1
1446 1 73 GLU QB 1 74 GLY H . . 4.610 3.855 1.824 4.116 . 0 0 "[ . 1 . 2]" 1
1447 1 73 GLU QG 1 74 GLY H . . 4.820 4.310 3.257 4.739 . 0 0 "[ . 1 . 2]" 1
1448 1 74 GLY H 1 75 LEU H . . 3.940 2.055 1.792 3.389 . 0 0 "[ . 1 . 2]" 1
1449 1 74 GLY H 1 75 LEU QD . . 5.500 3.681 2.272 4.904 . 0 0 "[ . 1 . 2]" 1
1450 1 74 GLY HA2 1 75 LEU HA . . 4.690 4.855 4.571 4.996 0.306 9 0 "[ . 1 . 2]" 1
1451 1 75 LEU H 1 75 LEU HB2 . . 3.230 2.119 1.991 2.299 . 0 0 "[ . 1 . 2]" 1
1452 1 75 LEU H 1 75 LEU HB3 . . 3.210 3.401 3.254 3.511 0.301 17 0 "[ . 1 . 2]" 1
1453 1 75 LEU H 1 75 LEU QD . . 3.560 2.422 1.804 3.006 . 0 0 "[ . 1 . 2]" 1
1454 1 75 LEU H 1 75 LEU HG . . 3.730 3.719 3.423 4.041 0.311 4 0 "[ . 1 . 2]" 1
1455 1 75 LEU H 1 76 THR H . . 5.100 4.405 4.254 4.487 . 0 0 "[ . 1 . 2]" 1
1456 1 75 LEU HA 1 75 LEU QD . . 3.030 2.279 1.854 2.894 . 0 0 "[ . 1 . 2]" 1
1457 1 75 LEU HA 1 75 LEU HG . . 3.920 3.090 2.057 3.701 . 0 0 "[ . 1 . 2]" 1
1458 1 75 LEU HA 1 76 THR H . . 3.100 2.191 2.176 2.249 . 0 0 "[ . 1 . 2]" 1
1459 1 75 LEU HA 1 76 THR MG . . 3.620 3.504 3.288 3.868 0.248 14 0 "[ . 1 . 2]" 1
1460 1 75 LEU HB2 1 76 THR H . . 4.560 4.631 4.539 4.685 0.125 11 0 "[ . 1 . 2]" 1
1461 1 75 LEU HB2 1 80 ILE MD . . 3.960 3.553 2.877 4.234 0.274 17 0 "[ . 1 . 2]" 1
1462 1 75 LEU HB2 1 80 ILE HG12 . . 3.980 3.495 3.055 3.947 . 0 0 "[ . 1 . 2]" 1
1463 1 75 LEU HB3 1 75 LEU QD . . 2.870 2.142 1.941 2.306 . 0 0 "[ . 1 . 2]" 1
1464 1 75 LEU HB3 1 76 THR H . . 4.000 3.878 3.609 4.085 0.085 11 0 "[ . 1 . 2]" 1
1465 1 75 LEU HB3 1 79 GLU QG . . 4.640 3.043 2.422 3.504 . 0 0 "[ . 1 . 2]" 1
1466 1 75 LEU HB3 1 80 ILE H . . 4.600 3.926 3.579 4.289 . 0 0 "[ . 1 . 2]" 1
1467 1 75 LEU HB3 1 80 ILE MD . . 3.620 2.997 2.550 3.689 0.069 17 0 "[ . 1 . 2]" 1
1468 1 75 LEU HB3 1 80 ILE HG12 . . 3.730 1.966 1.836 2.552 . 0 0 "[ . 1 . 2]" 1
1469 1 75 LEU HB3 1 83 LEU HB3 . . 4.100 4.368 4.161 4.507 0.407 18 0 "[ . 1 . 2]" 1
1470 1 75 LEU QD 1 76 THR H . . 4.140 3.485 3.018 3.978 . 0 0 "[ . 1 . 2]" 1
1471 1 75 LEU QD 1 79 GLU H . . 4.970 4.110 3.851 4.615 . 0 0 "[ . 1 . 2]" 1
1472 1 75 LEU QD 1 79 GLU HA . . 4.730 3.887 3.577 4.438 . 0 0 "[ . 1 . 2]" 1
1473 1 75 LEU QD 1 79 GLU QB . . 3.530 1.863 1.708 2.438 . 0 0 "[ . 1 . 2]" 1
1474 1 75 LEU QD 1 83 LEU HB2 . . 4.590 2.290 1.859 2.574 . 0 0 "[ . 1 . 2]" 1
1475 1 75 LEU QD 1 83 LEU HB3 . . 4.690 2.318 1.995 2.620 . 0 0 "[ . 1 . 2]" 1
1476 1 75 LEU QD 1 84 ASN H . . 4.370 4.246 3.788 4.755 0.385 15 0 "[ . 1 . 2]" 1
1477 1 75 LEU HG 1 83 LEU HB3 . . 4.490 4.587 4.355 4.820 0.330 20 0 "[ . 1 . 2]" 1
1478 1 76 THR H 1 76 THR MG . . 3.220 1.986 1.835 2.300 . 0 0 "[ . 1 . 2]" 1
1479 1 76 THR H 1 77 GLU H . . 5.150 4.493 4.445 4.540 . 0 0 "[ . 1 . 2]" 1
1480 1 76 THR H 1 79 GLU H . . 4.610 3.671 3.548 3.843 . 0 0 "[ . 1 . 2]" 1
1481 1 76 THR H 1 79 GLU HA . . 5.470 5.691 5.510 5.842 0.372 10 0 "[ . 1 . 2]" 1
1482 1 76 THR H 1 79 GLU QB . . 4.120 3.818 3.512 3.966 . 0 0 "[ . 1 . 2]" 1
1483 1 76 THR H 1 80 ILE H . . 5.200 4.035 3.842 4.224 . 0 0 "[ . 1 . 2]" 1
1484 1 76 THR HA 1 76 THR HB . . 2.920 2.446 2.351 2.575 . 0 0 "[ . 1 . 2]" 1
1485 1 76 THR HA 1 76 THR MG . . 3.100 2.745 2.411 3.243 0.143 9 0 "[ . 1 . 2]" 1
1486 1 76 THR HA 1 77 GLU H . . 3.060 2.709 2.630 2.768 . 0 0 "[ . 1 . 2]" 1
1487 1 76 THR HA 1 77 GLU QG . . 4.720 4.808 4.773 4.834 0.114 17 0 "[ . 1 . 2]" 1
1488 1 76 THR HA 1 78 LYS H . . 4.700 4.665 4.544 4.760 0.060 8 0 "[ . 1 . 2]" 1
1489 1 76 THR HA 1 79 GLU H . . 5.500 4.902 4.837 4.968 . 0 0 "[ . 1 . 2]" 1
1490 1 76 THR HA 1 80 ILE HB . . 4.550 4.617 4.512 4.778 0.228 17 0 "[ . 1 . 2]" 1
1491 1 76 THR HB 1 77 GLU H . . 4.580 2.597 2.135 3.687 . 0 0 "[ . 1 . 2]" 1
1492 1 76 THR MG 1 77 GLU H . . 4.310 3.637 2.884 3.921 . 0 0 "[ . 1 . 2]" 1
1493 1 76 THR MG 1 79 GLU H . . 4.850 3.608 1.782 4.599 . 0 0 "[ . 1 . 2]" 1
1494 1 77 GLU H 1 77 GLU QB . . 3.640 2.026 2.016 2.060 . 0 0 "[ . 1 . 2]" 1
1495 1 77 GLU H 1 77 GLU QG . . 4.420 3.281 3.221 3.343 . 0 0 "[ . 1 . 2]" 1
1496 1 77 GLU H 1 78 LYS H . . 3.760 2.602 2.571 2.647 . 0 0 "[ . 1 . 2]" 1
1497 1 77 GLU H 1 78 LYS HA . . 5.500 5.143 5.116 5.177 . 0 0 "[ . 1 . 2]" 1
1498 1 77 GLU H 1 79 GLU H . . 5.320 4.310 4.224 4.404 . 0 0 "[ . 1 . 2]" 1
1499 1 77 GLU H 1 79 GLU QG . . 4.750 4.199 4.102 4.347 . 0 0 "[ . 1 . 2]" 1
1500 1 77 GLU H 1 80 ILE HG13 . . 5.500 4.331 4.121 4.456 . 0 0 "[ . 1 . 2]" 1
1501 1 77 GLU HA 1 77 GLU QG . . 3.720 1.971 1.959 2.007 . 0 0 "[ . 1 . 2]" 1
1502 1 77 GLU HA 1 79 GLU H . . 5.150 4.478 4.370 4.545 . 0 0 "[ . 1 . 2]" 1
1503 1 77 GLU HA 1 79 GLU QG . . 4.020 4.363 4.232 4.516 0.496 20 0 "[ . 1 . 2]" 1
1504 1 77 GLU HA 1 80 ILE H . . 3.900 3.210 3.138 3.263 . 0 0 "[ . 1 . 2]" 1
1505 1 77 GLU HA 1 80 ILE HB . . 2.850 1.811 1.737 1.874 . 0 0 "[ . 1 . 2]" 1
1506 1 77 GLU HA 1 80 ILE MD . . 3.960 4.063 3.594 4.192 0.232 18 0 "[ . 1 . 2]" 1
1507 1 77 GLU HA 1 80 ILE HG12 . . 4.300 4.299 4.113 4.388 0.088 17 0 "[ . 1 . 2]" 1
1508 1 77 GLU HA 1 80 ILE HG13 . . 4.240 3.180 3.067 3.279 . 0 0 "[ . 1 . 2]" 1
1509 1 77 GLU HA 1 80 ILE MG . . 4.140 2.969 2.872 3.055 . 0 0 "[ . 1 . 2]" 1
1510 1 77 GLU HA 1 81 ASN H . . 4.490 3.660 3.192 4.225 . 0 0 "[ . 1 . 2]" 1
1511 1 77 GLU QB 1 78 LYS H . . 3.650 2.762 2.710 2.802 . 0 0 "[ . 1 . 2]" 1
1512 1 77 GLU QB 1 78 LYS HA . . 3.490 3.760 3.734 3.786 0.296 14 0 "[ . 1 . 2]" 1
1513 1 77 GLU QB 1 78 LYS QB . . 3.620 4.034 3.989 4.073 0.453 9 0 "[ . 1 . 2]" 1
1514 1 77 GLU QB 1 81 ASN HD21 . . 5.470 3.205 2.880 3.593 . 0 0 "[ . 1 . 2]" 1
1515 1 77 GLU QG 1 78 LYS H . . 4.880 4.497 4.469 4.514 . 0 0 "[ . 1 . 2]" 1
1516 1 77 GLU QG 1 80 ILE HB . . 3.130 3.263 3.198 3.353 0.223 15 0 "[ . 1 . 2]" 1
1517 1 77 GLU QG 1 81 ASN H . . 5.260 4.776 4.269 5.277 0.017 17 0 "[ . 1 . 2]" 1
1518 1 77 GLU QG 1 81 ASN HD21 . . 4.760 4.336 3.703 4.715 . 0 0 "[ . 1 . 2]" 1
1519 1 78 LYS H 1 78 LYS QB . . 3.230 2.063 1.982 2.140 . 0 0 "[ . 1 . 2]" 1
1520 1 78 LYS H 1 78 LYS QG . . 4.700 2.979 2.677 3.488 . 0 0 "[ . 1 . 2]" 1
1521 1 78 LYS H 1 79 GLU H . . 3.370 2.874 2.834 2.906 . 0 0 "[ . 1 . 2]" 1
1522 1 78 LYS H 1 79 GLU QG . . 4.590 3.776 3.611 3.931 . 0 0 "[ . 1 . 2]" 1
1523 1 78 LYS H 1 80 ILE H . . 4.920 4.033 3.952 4.112 . 0 0 "[ . 1 . 2]" 1
1524 1 78 LYS H 1 81 ASN HB2 . . 5.500 5.088 4.875 5.335 . 0 0 "[ . 1 . 2]" 1
1525 1 78 LYS HA 1 78 LYS QG . . 3.830 3.176 2.985 3.266 . 0 0 "[ . 1 . 2]" 1
1526 1 78 LYS HA 1 81 ASN H . . 3.940 3.905 3.814 4.031 0.091 9 0 "[ . 1 . 2]" 1
1527 1 78 LYS HA 1 81 ASN HB2 . . 3.500 3.184 3.036 3.426 . 0 0 "[ . 1 . 2]" 1
1528 1 78 LYS HA 1 81 ASN HD21 . . 4.720 3.021 2.777 3.110 . 0 0 "[ . 1 . 2]" 1
1529 1 78 LYS HA 1 81 ASN HD22 . . 4.660 4.659 4.418 4.744 0.084 10 0 "[ . 1 . 2]" 1
1530 1 78 LYS QB 1 79 GLU H . . 3.920 3.254 3.036 3.378 . 0 0 "[ . 1 . 2]" 1
1531 1 78 LYS QB 1 80 ILE H . . 5.230 5.053 4.935 5.122 . 0 0 "[ . 1 . 2]" 1
1532 1 78 LYS QD 1 79 GLU H . . 4.680 3.963 3.839 4.128 . 0 0 "[ . 1 . 2]" 1
1533 1 78 LYS QG 1 79 GLU HA . . 3.630 2.915 2.847 2.946 . 0 0 "[ . 1 . 2]" 1
1534 1 78 LYS QG 1 79 GLU QG . . 4.610 2.768 1.881 3.476 . 0 0 "[ . 1 . 2]" 1
1535 1 79 GLU H 1 79 GLU QB . . 3.800 2.815 2.580 2.926 . 0 0 "[ . 1 . 2]" 1
1536 1 79 GLU H 1 79 GLU QG . . 3.460 1.668 1.588 1.835 . 0 0 "[ . 1 . 2]" 1
1537 1 79 GLU H 1 80 ILE H . . 3.490 2.474 2.420 2.521 . 0 0 "[ . 1 . 2]" 1
1538 1 79 GLU H 1 80 ILE HA . . 5.500 5.036 4.980 5.077 . 0 0 "[ . 1 . 2]" 1
1539 1 79 GLU H 1 80 ILE HB . . 4.440 4.326 4.246 4.400 . 0 0 "[ . 1 . 2]" 1
1540 1 79 GLU H 1 81 ASN H . . 5.120 3.988 3.820 4.188 . 0 0 "[ . 1 . 2]" 1
1541 1 79 GLU HA 1 79 GLU QG . . 3.440 3.307 3.137 3.476 0.036 17 0 "[ . 1 . 2]" 1
1542 1 79 GLU HA 1 82 THR H . . 4.080 3.054 2.771 3.389 . 0 0 "[ . 1 . 2]" 1
1543 1 79 GLU HA 1 82 THR HB . . 3.440 2.526 2.034 3.071 . 0 0 "[ . 1 . 2]" 1
1544 1 79 GLU HA 1 82 THR MG . . 4.410 4.033 3.618 4.446 0.036 2 0 "[ . 1 . 2]" 1
1545 1 79 GLU HA 1 83 LEU H . . 4.690 2.990 2.569 3.336 . 0 0 "[ . 1 . 2]" 1
1546 1 79 GLU QB 1 80 ILE H . . 4.640 3.297 3.097 3.481 . 0 0 "[ . 1 . 2]" 1
1547 1 79 GLU QB 1 83 LEU HB3 . . 2.960 3.134 2.891 3.324 0.364 1 0 "[ . 1 . 2]" 1
1548 1 80 ILE H 1 80 ILE HB . . 3.150 2.191 2.113 2.245 . 0 0 "[ . 1 . 2]" 1
1549 1 80 ILE H 1 80 ILE HG12 . . 3.550 2.774 2.550 3.206 . 0 0 "[ . 1 . 2]" 1
1550 1 80 ILE H 1 80 ILE HG13 . . 3.500 3.115 3.013 3.246 . 0 0 "[ . 1 . 2]" 1
1551 1 80 ILE H 1 80 ILE MG . . 4.040 3.623 3.559 3.654 . 0 0 "[ . 1 . 2]" 1
1552 1 80 ILE H 1 81 ASN H . . 3.490 2.782 2.740 2.846 . 0 0 "[ . 1 . 2]" 1
1553 1 80 ILE H 1 81 ASN HB2 . . 5.500 4.657 4.553 4.779 . 0 0 "[ . 1 . 2]" 1
1554 1 80 ILE H 1 83 LEU HB3 . . 3.970 4.080 3.814 4.326 0.356 10 0 "[ . 1 . 2]" 1
1555 1 80 ILE HA 1 80 ILE MD . . 3.240 2.791 2.605 3.186 . 0 0 "[ . 1 . 2]" 1
1556 1 80 ILE HA 1 80 ILE HG12 . . 3.340 2.207 2.021 2.334 . 0 0 "[ . 1 . 2]" 1
1557 1 80 ILE HA 1 80 ILE HG13 . . 3.710 3.500 3.277 3.585 . 0 0 "[ . 1 . 2]" 1
1558 1 80 ILE HA 1 80 ILE MG . . 3.180 2.656 2.606 2.735 . 0 0 "[ . 1 . 2]" 1
1559 1 80 ILE HA 1 82 THR H . . 5.200 4.659 4.438 4.904 . 0 0 "[ . 1 . 2]" 1
1560 1 80 ILE HA 1 83 LEU H . . 3.890 3.704 3.402 3.996 0.106 20 0 "[ . 1 . 2]" 1
1561 1 80 ILE HA 1 83 LEU HB2 . . 4.180 4.173 3.813 4.441 0.261 20 0 "[ . 1 . 2]" 1
1562 1 80 ILE HA 1 83 LEU HB3 . . 3.420 2.519 2.117 2.897 . 0 0 "[ . 1 . 2]" 1
1563 1 80 ILE HA 1 83 LEU QD . . 3.570 2.636 2.142 3.588 0.018 15 0 "[ . 1 . 2]" 1
1564 1 80 ILE HA 1 84 ASN H . . 4.860 2.921 2.392 3.534 . 0 0 "[ . 1 . 2]" 1
1565 1 80 ILE HB 1 81 ASN H . . 3.460 2.988 2.707 3.278 . 0 0 "[ . 1 . 2]" 1
1566 1 80 ILE HB 1 82 THR H . . 5.340 5.333 5.168 5.470 0.130 4 0 "[ . 1 . 2]" 1
1567 1 80 ILE MD 1 80 ILE MG . . 2.550 1.727 1.696 1.765 . 0 0 "[ . 1 . 2]" 1
1568 1 80 ILE MD 1 81 ASN H . . 5.210 5.024 4.873 5.180 . 0 0 "[ . 1 . 2]" 1
1569 1 80 ILE HG12 1 80 ILE MG . . 3.540 3.092 2.962 3.140 . 0 0 "[ . 1 . 2]" 1
1570 1 80 ILE HG13 1 80 ILE MG . . 3.540 2.866 2.794 3.019 . 0 0 "[ . 1 . 2]" 1
1571 1 80 ILE HG13 1 81 ASN H . . 5.090 5.033 4.825 5.212 0.122 10 0 "[ . 1 . 2]" 1
1572 1 80 ILE MG 1 81 ASN H . . 3.910 3.152 2.844 3.420 . 0 0 "[ . 1 . 2]" 1
1573 1 80 ILE MG 1 81 ASN HA . . 4.090 3.118 2.923 3.305 . 0 0 "[ . 1 . 2]" 1
1574 1 80 ILE MG 1 84 ASN HD21 . . 3.860 2.950 2.229 3.926 0.066 14 0 "[ . 1 . 2]" 1
1575 1 80 ILE MG 1 84 ASN HD22 . . 3.610 3.184 2.553 3.772 0.162 5 0 "[ . 1 . 2]" 1
1576 1 81 ASN H 1 81 ASN HB2 . . 3.280 2.152 2.087 2.242 . 0 0 "[ . 1 . 2]" 1
1577 1 81 ASN H 1 81 ASN HB3 . . 3.360 3.439 3.383 3.510 0.150 20 0 "[ . 1 . 2]" 1
1578 1 81 ASN H 1 81 ASN HD21 . . 5.240 3.299 2.976 3.636 . 0 0 "[ . 1 . 2]" 1
1579 1 81 ASN H 1 81 ASN HD22 . . 4.390 4.426 4.285 4.635 0.245 16 0 "[ . 1 . 2]" 1
1580 1 81 ASN HA 1 81 ASN HB3 . . 3.000 2.757 2.663 2.848 . 0 0 "[ . 1 . 2]" 1
1581 1 81 ASN HA 1 81 ASN HD22 . . 5.500 4.330 4.196 4.444 . 0 0 "[ . 1 . 2]" 1
1582 1 81 ASN HB2 1 81 ASN HD22 . . 3.930 3.449 3.445 3.461 . 0 0 "[ . 1 . 2]" 1
1583 1 81 ASN HB2 1 82 THR H . . 3.710 2.677 2.523 2.801 . 0 0 "[ . 1 . 2]" 1
1584 1 81 ASN HB2 1 82 THR HB . . 4.700 4.691 4.610 4.761 0.061 3 0 "[ . 1 . 2]" 1
1585 1 81 ASN HB3 1 81 ASN HD22 . . 3.850 3.958 3.886 4.036 0.186 19 0 "[ . 1 . 2]" 1
1586 1 82 THR H 1 82 THR HB . . 3.460 2.300 2.255 2.386 . 0 0 "[ . 1 . 2]" 1
1587 1 82 THR H 1 82 THR MG . . 4.350 3.689 3.680 3.702 . 0 0 "[ . 1 . 2]" 1
1588 1 82 THR H 1 83 LEU HB3 . . 4.750 4.417 4.346 4.606 . 0 0 "[ . 1 . 2]" 1
1589 1 82 THR H 1 84 ASN H . . 4.500 4.216 4.157 4.285 . 0 0 "[ . 1 . 2]" 1
1590 1 82 THR HA 1 82 THR MG . . 3.120 2.396 2.302 2.492 . 0 0 "[ . 1 . 2]" 1
1591 1 82 THR HA 1 85 ASP H . . 3.960 3.494 3.310 3.704 . 0 0 "[ . 1 . 2]" 1
1592 1 82 THR HA 1 85 ASP HB2 . . 3.750 2.979 2.365 3.925 0.175 12 0 "[ . 1 . 2]" 1
1593 1 82 THR HA 1 85 ASP HB3 . . 3.660 3.212 2.289 3.681 0.021 10 0 "[ . 1 . 2]" 1
1594 1 82 THR HB 1 83 LEU H . . 3.670 2.618 2.545 2.718 . 0 0 "[ . 1 . 2]" 1
1595 1 82 THR HB 1 83 LEU HB3 . . 4.740 4.715 4.613 4.814 0.074 4 0 "[ . 1 . 2]" 1
1596 1 82 THR MG 1 83 LEU H . . 4.010 3.473 3.380 3.666 . 0 0 "[ . 1 . 2]" 1
1597 1 82 THR MG 1 85 ASP HB2 . . 4.640 4.529 3.999 5.397 0.757 9 5 "[ * +1 * . * -]" 1
1598 1 82 THR MG 1 86 TRP HB2 . . 3.960 3.843 3.563 4.079 0.119 7 0 "[ . 1 . 2]" 1
1599 1 82 THR MG 1 86 TRP HD1 . . 3.200 1.928 1.881 1.995 . 0 0 "[ . 1 . 2]" 1
1600 1 82 THR MG 1 86 TRP HE1 . . 3.760 2.403 1.902 2.935 . 0 0 "[ . 1 . 2]" 1
1601 1 83 LEU H 1 83 LEU HB2 . . 3.450 2.643 2.515 2.737 . 0 0 "[ . 1 . 2]" 1
1602 1 83 LEU H 1 83 LEU HB3 . . 3.340 2.245 2.168 2.355 . 0 0 "[ . 1 . 2]" 1
1603 1 83 LEU H 1 83 LEU QD . . 4.390 3.514 3.392 3.688 . 0 0 "[ . 1 . 2]" 1
1604 1 83 LEU H 1 84 ASN H . . 3.670 2.862 2.746 2.902 . 0 0 "[ . 1 . 2]" 1
1605 1 83 LEU H 1 84 ASN HA . . 5.500 5.317 5.222 5.348 . 0 0 "[ . 1 . 2]" 1
1606 1 83 LEU H 1 84 ASN QB . . 5.240 4.508 4.293 4.661 . 0 0 "[ . 1 . 2]" 1
1607 1 83 LEU H 1 85 ASP H . . 4.730 4.147 3.905 4.493 . 0 0 "[ . 1 . 2]" 1
1608 1 83 LEU H 1 86 TRP HD1 . . 5.500 3.938 3.565 4.372 . 0 0 "[ . 1 . 2]" 1
1609 1 83 LEU HA 1 83 LEU QD . . 3.180 2.121 1.874 2.725 . 0 0 "[ . 1 . 2]" 1
1610 1 83 LEU HA 1 83 LEU HG . . 3.710 3.678 2.930 3.777 0.067 6 0 "[ . 1 . 2]" 1
1611 1 83 LEU HA 1 86 TRP H . . 4.180 3.126 2.950 3.293 . 0 0 "[ . 1 . 2]" 1
1612 1 83 LEU HA 1 86 TRP HB2 . . 4.260 1.980 1.881 2.207 . 0 0 "[ . 1 . 2]" 1
1613 1 83 LEU HA 1 86 TRP HB3 . . 3.730 3.393 3.141 3.687 . 0 0 "[ . 1 . 2]" 1
1614 1 83 LEU HA 1 86 TRP HD1 . . 3.580 2.625 2.347 2.978 . 0 0 "[ . 1 . 2]" 1
1615 1 83 LEU HA 1 86 TRP HE1 . . 5.460 5.245 4.935 5.569 0.109 19 0 "[ . 1 . 2]" 1
1616 1 83 LEU HB2 1 84 ASN H . . 4.140 3.937 3.832 4.001 . 0 0 "[ . 1 . 2]" 1
1617 1 83 LEU HB3 1 84 ASN H . . 3.610 2.538 2.391 2.632 . 0 0 "[ . 1 . 2]" 1
1618 1 83 LEU HB3 1 85 ASP H . . 5.500 5.016 4.771 5.394 . 0 0 "[ . 1 . 2]" 1
1619 1 83 LEU HB3 1 86 TRP HB2 . . 4.680 4.820 4.722 5.030 0.350 20 0 "[ . 1 . 2]" 1
1620 1 83 LEU QD 1 84 ASN H . . 4.670 2.366 2.032 3.524 . 0 0 "[ . 1 . 2]" 1
1621 1 83 LEU QD 1 86 TRP HB2 . . 4.730 2.798 2.560 3.620 . 0 0 "[ . 1 . 2]" 1
1622 1 83 LEU QD 1 86 TRP HB3 . . 4.230 3.215 2.954 3.760 . 0 0 "[ . 1 . 2]" 1
1623 1 83 LEU QD 1 86 TRP HD1 . . 4.810 3.927 3.630 4.364 . 0 0 "[ . 1 . 2]" 1
1624 1 83 LEU QD 1 87 GLU H . . 4.390 3.198 2.840 4.206 . 0 0 "[ . 1 . 2]" 1
1625 1 83 LEU HG 1 84 ASN H . . 4.250 4.372 3.094 4.662 0.412 20 0 "[ . 1 . 2]" 1
1626 1 84 ASN H 1 84 ASN QB . . 3.430 2.198 2.022 2.398 . 0 0 "[ . 1 . 2]" 1
1627 1 84 ASN H 1 84 ASN HD21 . . 4.840 3.405 1.840 4.721 . 0 0 "[ . 1 . 2]" 1
1628 1 84 ASN H 1 84 ASN HD22 . . 5.290 4.617 3.443 5.464 0.174 5 0 "[ . 1 . 2]" 1
1629 1 84 ASN H 1 85 ASP H . . 3.660 2.871 2.758 3.044 . 0 0 "[ . 1 . 2]" 1
1630 1 84 ASN H 1 86 TRP H . . 4.630 3.969 3.851 4.113 . 0 0 "[ . 1 . 2]" 1
1631 1 84 ASN H 1 86 TRP HB2 . . 4.810 4.660 4.452 4.876 0.066 20 0 "[ . 1 . 2]" 1
1632 1 84 ASN HA 1 84 ASN HD21 . . 3.950 3.219 2.135 4.008 0.058 14 0 "[ . 1 . 2]" 1
1633 1 84 ASN HA 1 84 ASN HD22 . . 4.470 3.899 3.340 4.347 . 0 0 "[ . 1 . 2]" 1
1634 1 84 ASN HA 1 86 TRP H . . 5.210 4.296 4.186 4.425 . 0 0 "[ . 1 . 2]" 1
1635 1 84 ASN QB 1 85 ASP H . . 4.100 2.472 2.240 2.718 . 0 0 "[ . 1 . 2]" 1
1636 1 84 ASN QB 1 85 ASP HA . . 4.590 3.734 3.526 3.866 . 0 0 "[ . 1 . 2]" 1
1637 1 84 ASN QB 1 85 ASP HB2 . . 4.090 4.006 3.719 4.409 0.319 20 0 "[ . 1 . 2]" 1
1638 1 85 ASP H 1 85 ASP HB2 . . 3.530 2.226 2.003 2.932 . 0 0 "[ . 1 . 2]" 1
1639 1 85 ASP H 1 85 ASP HB3 . . 3.370 2.934 2.082 3.335 . 0 0 "[ . 1 . 2]" 1
1640 1 85 ASP HA 1 87 GLU H . . 4.720 4.150 3.845 4.430 . 0 0 "[ . 1 . 2]" 1
1641 1 85 ASP HA 1 88 THR H . . 4.100 3.201 3.130 3.289 . 0 0 "[ . 1 . 2]" 1
1642 1 85 ASP HA 1 88 THR HB . . 3.100 2.543 2.297 2.812 . 0 0 "[ . 1 . 2]" 1
1643 1 85 ASP HA 1 88 THR MG . . 4.160 3.797 3.223 4.190 0.030 13 0 "[ . 1 . 2]" 1
1644 1 85 ASP HA 1 89 LYS H . . 4.980 4.236 3.805 4.501 . 0 0 "[ . 1 . 2]" 1
1645 1 85 ASP HB2 1 86 TRP H . . 3.780 3.458 3.074 4.176 0.396 12 0 "[ . 1 . 2]" 1
1646 1 85 ASP HB2 1 89 LYS QD . . 4.000 3.984 3.754 4.422 0.422 5 0 "[ . 1 . 2]" 1
1647 1 85 ASP HB3 1 86 TRP H . . 3.910 3.030 2.820 3.398 . 0 0 "[ . 1 . 2]" 1
1648 1 86 TRP H 1 86 TRP HB2 . . 3.560 2.068 2.042 2.109 . 0 0 "[ . 1 . 2]" 1
1649 1 86 TRP H 1 86 TRP HB3 . . 3.360 3.373 3.337 3.418 0.058 7 0 "[ . 1 . 2]" 1
1650 1 86 TRP H 1 86 TRP HD1 . . 4.080 3.797 3.388 4.033 . 0 0 "[ . 1 . 2]" 1
1651 1 86 TRP H 1 87 GLU H . . 3.560 2.643 2.585 2.720 . 0 0 "[ . 1 . 2]" 1
1652 1 86 TRP H 1 87 GLU HB3 . . 4.860 4.482 4.394 4.612 . 0 0 "[ . 1 . 2]" 1
1653 1 86 TRP HA 1 86 TRP HD1 . . 4.820 4.311 4.115 4.411 . 0 0 "[ . 1 . 2]" 1
1654 1 86 TRP HA 1 86 TRP HE3 . . 3.350 2.218 1.947 2.688 . 0 0 "[ . 1 . 2]" 1
1655 1 86 TRP HA 1 87 GLU HA . . 4.630 4.772 4.740 4.787 0.157 9 0 "[ . 1 . 2]" 1
1656 1 86 TRP HA 1 89 LYS H . . 4.070 3.336 3.249 3.441 . 0 0 "[ . 1 . 2]" 1
1657 1 86 TRP HA 1 89 LYS HB2 . . 3.540 2.570 2.448 2.725 . 0 0 "[ . 1 . 2]" 1
1658 1 86 TRP HA 1 89 LYS HB3 . . 4.050 4.177 4.085 4.272 0.222 17 0 "[ . 1 . 2]" 1
1659 1 86 TRP HA 1 89 LYS QD . . 4.090 2.233 1.904 2.518 . 0 0 "[ . 1 . 2]" 1
1660 1 86 TRP HA 1 89 LYS QE . . 4.590 3.975 2.232 4.541 . 0 0 "[ . 1 . 2]" 1
1661 1 86 TRP HA 1 90 PHE H . . 4.860 3.926 3.718 4.078 . 0 0 "[ . 1 . 2]" 1
1662 1 86 TRP HB2 1 86 TRP HE3 . . 3.860 4.157 4.146 4.168 0.308 1 0 "[ . 1 . 2]" 1
1663 1 86 TRP HB2 1 87 GLU H . . 4.130 3.045 2.903 3.181 . 0 0 "[ . 1 . 2]" 1
1664 1 86 TRP HB2 1 87 GLU HA . . 4.800 4.849 4.756 4.917 0.117 17 0 "[ . 1 . 2]" 1
1665 1 86 TRP HB3 1 86 TRP HD1 . . 3.770 3.551 3.460 3.697 . 0 0 "[ . 1 . 2]" 1
1666 1 86 TRP HB3 1 87 GLU H . . 3.870 3.314 3.043 3.580 . 0 0 "[ . 1 . 2]" 1
1667 1 86 TRP HE3 1 89 LYS HB2 . . 4.380 2.557 1.993 3.351 . 0 0 "[ . 1 . 2]" 1
1668 1 86 TRP HE3 1 89 LYS HB3 . . 4.780 3.810 3.304 4.536 . 0 0 "[ . 1 . 2]" 1
1669 1 86 TRP HE3 1 89 LYS QD . . 5.350 3.155 2.222 4.075 . 0 0 "[ . 1 . 2]" 1
1670 1 86 TRP HE3 1 90 PHE H . . 5.500 3.692 3.355 4.128 . 0 0 "[ . 1 . 2]" 1
1671 1 86 TRP HE3 1 90 PHE QD . . 4.030 2.603 2.186 2.952 . 0 0 "[ . 1 . 2]" 1
1672 1 86 TRP HE3 1 90 PHE QE . . 3.970 3.428 2.432 4.004 0.034 14 0 "[ . 1 . 2]" 1
1673 1 86 TRP HZ3 1 90 PHE QE . . 4.040 2.703 1.957 3.586 . 0 0 "[ . 1 . 2]" 1
1674 1 87 GLU H 1 87 GLU HB2 . . 3.370 2.956 2.741 3.195 . 0 0 "[ . 1 . 2]" 1
1675 1 87 GLU H 1 87 GLU HB3 . . 3.470 2.105 2.022 2.243 . 0 0 "[ . 1 . 2]" 1
1676 1 87 GLU H 1 87 GLU QG . . 4.830 3.884 3.499 3.997 . 0 0 "[ . 1 . 2]" 1
1677 1 87 GLU H 1 88 THR H . . 3.650 2.726 2.650 2.788 . 0 0 "[ . 1 . 2]" 1
1678 1 87 GLU H 1 89 LYS QD . . 5.090 4.830 4.552 4.995 . 0 0 "[ . 1 . 2]" 1
1679 1 87 GLU HA 1 87 GLU QG . . 3.220 2.811 2.676 3.014 . 0 0 "[ . 1 . 2]" 1
1680 1 87 GLU HA 1 89 LYS H . . 5.420 4.180 3.915 4.316 . 0 0 "[ . 1 . 2]" 1
1681 1 87 GLU HA 1 90 PHE H . . 4.360 3.277 3.089 3.441 . 0 0 "[ . 1 . 2]" 1
1682 1 87 GLU HA 1 90 PHE HB2 . . 3.620 2.535 2.366 2.857 . 0 0 "[ . 1 . 2]" 1
1683 1 87 GLU HA 1 90 PHE HB3 . . 4.420 3.619 3.386 3.953 . 0 0 "[ . 1 . 2]" 1
1684 1 87 GLU HA 1 91 GLU H . . 4.880 3.435 3.259 3.666 . 0 0 "[ . 1 . 2]" 1
1685 1 87 GLU HB2 1 88 THR H . . 4.060 4.103 4.041 4.173 0.113 17 0 "[ . 1 . 2]" 1
1686 1 87 GLU HB2 1 91 GLU QB . . 4.530 4.637 4.385 4.948 0.418 17 0 "[ . 1 . 2]" 1
1687 1 87 GLU HB3 1 88 THR H . . 3.600 2.866 2.705 3.179 . 0 0 "[ . 1 . 2]" 1
1688 1 87 GLU QG 1 88 THR H . . 4.650 3.237 2.373 3.697 . 0 0 "[ . 1 . 2]" 1
1689 1 87 GLU QG 1 88 THR HA . . 3.960 3.280 2.817 3.737 . 0 0 "[ . 1 . 2]" 1
1690 1 87 GLU QG 1 91 GLU HG2 . . 4.470 3.690 2.769 4.977 0.507 14 1 "[ . 1 +. 2]" 1
1691 1 88 THR H 1 88 THR HB . . 3.170 2.095 1.951 2.217 . 0 0 "[ . 1 . 2]" 1
1692 1 88 THR H 1 88 THR MG . . 3.620 3.573 3.262 3.655 0.035 10 0 "[ . 1 . 2]" 1
1693 1 88 THR H 1 89 LYS HB2 . . 5.260 4.895 4.801 5.016 . 0 0 "[ . 1 . 2]" 1
1694 1 88 THR H 1 90 PHE H . . 5.290 4.145 4.096 4.233 . 0 0 "[ . 1 . 2]" 1
1695 1 88 THR H 1 90 PHE HB2 . . 5.360 5.066 4.934 5.259 . 0 0 "[ . 1 . 2]" 1
1696 1 88 THR HA 1 88 THR MG . . 3.210 2.638 2.528 2.924 . 0 0 "[ . 1 . 2]" 1
1697 1 88 THR HA 1 91 GLU H . . 4.050 3.479 3.329 3.679 . 0 0 "[ . 1 . 2]" 1
1698 1 88 THR HA 1 91 GLU QB . . 3.570 3.095 2.179 3.594 0.024 2 0 "[ . 1 . 2]" 1
1699 1 88 THR HA 1 91 GLU HG2 . . 4.450 3.276 1.962 4.731 0.281 10 0 "[ . 1 . 2]" 1
1700 1 88 THR HA 1 91 GLU HG3 . . 4.590 3.214 2.043 4.349 . 0 0 "[ . 1 . 2]" 1
1701 1 88 THR HA 1 92 ALA H . . 4.810 3.662 3.163 3.994 . 0 0 "[ . 1 . 2]" 1
1702 1 88 THR HB 1 89 LYS H . . 3.410 3.085 2.999 3.390 . 0 0 "[ . 1 . 2]" 1
1703 1 88 THR HB 1 89 LYS HG3 . . 4.610 3.519 3.320 3.916 . 0 0 "[ . 1 . 2]" 1
1704 1 88 THR MG 1 89 LYS H . . 4.230 3.359 2.753 3.674 . 0 0 "[ . 1 . 2]" 1
1705 1 88 THR MG 1 91 GLU H . . 4.930 4.982 4.861 5.221 0.291 20 0 "[ . 1 . 2]" 1
1706 1 89 LYS H 1 89 LYS HB2 . . 3.410 2.449 2.366 2.528 . 0 0 "[ . 1 . 2]" 1
1707 1 89 LYS H 1 89 LYS HB3 . . 3.820 3.562 3.545 3.600 . 0 0 "[ . 1 . 2]" 1
1708 1 89 LYS H 1 89 LYS QD . . 3.800 3.268 3.156 3.393 . 0 0 "[ . 1 . 2]" 1
1709 1 89 LYS H 1 89 LYS QE . . 5.210 4.598 3.884 4.865 . 0 0 "[ . 1 . 2]" 1
1710 1 89 LYS H 1 89 LYS HG2 . . 4.460 3.667 3.451 3.791 . 0 0 "[ . 1 . 2]" 1
1711 1 89 LYS H 1 89 LYS HG3 . . 3.780 2.245 2.012 2.412 . 0 0 "[ . 1 . 2]" 1
1712 1 89 LYS H 1 90 PHE H . . 3.630 2.476 2.286 2.638 . 0 0 "[ . 1 . 2]" 1
1713 1 89 LYS H 1 91 GLU H . . 4.680 3.894 3.776 3.979 . 0 0 "[ . 1 . 2]" 1
1714 1 89 LYS H 1 92 ALA H . . 5.210 4.377 4.303 4.440 . 0 0 "[ . 1 . 2]" 1
1715 1 89 LYS H 1 92 ALA MB . . 4.470 4.412 4.277 4.605 0.135 1 0 "[ . 1 . 2]" 1
1716 1 89 LYS HA 1 89 LYS QD . . 5.110 4.107 4.044 4.258 . 0 0 "[ . 1 . 2]" 1
1717 1 89 LYS HA 1 89 LYS HG2 . . 3.310 2.742 2.674 2.835 . 0 0 "[ . 1 . 2]" 1
1718 1 89 LYS HA 1 89 LYS HG3 . . 3.240 2.739 2.643 2.877 . 0 0 "[ . 1 . 2]" 1
1719 1 89 LYS HA 1 92 ALA H . . 4.070 3.567 3.401 3.759 . 0 0 "[ . 1 . 2]" 1
1720 1 89 LYS HA 1 92 ALA MB . . 3.600 2.730 2.398 3.256 . 0 0 "[ . 1 . 2]" 1
1721 1 89 LYS HB2 1 90 PHE H . . 4.020 2.751 2.630 2.847 . 0 0 "[ . 1 . 2]" 1
1722 1 89 LYS HB2 1 91 GLU H . . 5.090 5.100 4.888 5.249 0.159 20 0 "[ . 1 . 2]" 1
1723 1 89 LYS HB3 1 90 PHE H . . 4.290 3.814 3.701 3.929 . 0 0 "[ . 1 . 2]" 1
1724 1 89 LYS QE 1 89 LYS HG2 . . 3.180 2.290 1.972 2.734 . 0 0 "[ . 1 . 2]" 1
1725 1 89 LYS QE 1 89 LYS HG3 . . 3.810 2.919 2.437 3.338 . 0 0 "[ . 1 . 2]" 1
1726 1 89 LYS HG2 1 90 PHE H . . 4.920 5.186 5.094 5.237 0.317 15 0 "[ . 1 . 2]" 1
1727 1 89 LYS HG3 1 90 PHE H . . 4.840 4.336 4.222 4.466 . 0 0 "[ . 1 . 2]" 1
1728 1 90 PHE H 1 90 PHE HB2 . . 3.380 1.927 1.884 1.972 . 0 0 "[ . 1 . 2]" 1
1729 1 90 PHE H 1 90 PHE HB3 . . 3.890 3.234 3.135 3.317 . 0 0 "[ . 1 . 2]" 1
1730 1 90 PHE H 1 90 PHE QD . . 3.910 2.905 2.583 3.111 . 0 0 "[ . 1 . 2]" 1
1731 1 90 PHE H 1 91 GLU H . . 3.610 2.512 2.415 2.618 . 0 0 "[ . 1 . 2]" 1
1732 1 90 PHE H 1 91 GLU QB . . 5.500 4.353 4.092 4.590 . 0 0 "[ . 1 . 2]" 1
1733 1 90 PHE H 1 92 ALA H . . 5.290 3.738 3.600 3.925 . 0 0 "[ . 1 . 2]" 1
1734 1 90 PHE H 1 93 LYS HB2 . . 5.500 4.819 4.560 5.077 . 0 0 "[ . 1 . 2]" 1
1735 1 90 PHE HA 1 90 PHE QD . . 3.330 2.474 2.175 2.702 . 0 0 "[ . 1 . 2]" 1
1736 1 90 PHE HA 1 90 PHE QE . . 4.520 4.344 4.236 4.423 . 0 0 "[ . 1 . 2]" 1
1737 1 90 PHE HA 1 91 GLU HA . . 4.060 4.701 4.689 4.724 0.664 8 20 [******-+************] 1
1738 1 90 PHE HA 1 92 ALA H . . 4.590 4.080 3.892 4.375 . 0 0 "[ . 1 . 2]" 1
1739 1 90 PHE HA 1 93 LYS H . . 4.090 3.590 3.113 4.119 0.029 5 0 "[ . 1 . 2]" 1
1740 1 90 PHE HA 1 93 LYS HB2 . . 3.870 2.753 2.415 3.023 . 0 0 "[ . 1 . 2]" 1
1741 1 90 PHE HA 1 93 LYS HB3 . . 4.300 4.103 4.007 4.266 . 0 0 "[ . 1 . 2]" 1
1742 1 90 PHE HA 1 94 TYR H . . 4.390 2.842 2.556 3.204 . 0 0 "[ . 1 . 2]" 1
1743 1 90 PHE HA 1 94 TYR HB2 . . 4.760 3.315 2.977 3.680 . 0 0 "[ . 1 . 2]" 1
1744 1 90 PHE HA 1 94 TYR QD . . 4.590 2.755 2.471 2.938 . 0 0 "[ . 1 . 2]" 1
1745 1 90 PHE HA 1 94 TYR QE . . 4.420 4.082 3.718 4.440 0.020 6 0 "[ . 1 . 2]" 1
1746 1 90 PHE HB2 1 91 GLU H . . 3.370 2.853 2.720 2.989 . 0 0 "[ . 1 . 2]" 1
1747 1 90 PHE HB3 1 91 GLU H . . 4.050 3.018 2.839 3.274 . 0 0 "[ . 1 . 2]" 1
1748 1 90 PHE HB3 1 94 TYR H . . 5.430 4.287 4.105 4.391 . 0 0 "[ . 1 . 2]" 1
1749 1 90 PHE QD 1 91 GLU H . . 5.030 4.541 4.481 4.596 . 0 0 "[ . 1 . 2]" 1
1750 1 91 GLU H 1 91 GLU QB . . 3.390 2.179 2.036 2.310 . 0 0 "[ . 1 . 2]" 1
1751 1 91 GLU H 1 91 GLU HG3 . . 4.150 3.512 2.493 4.565 0.415 5 0 "[ . 1 . 2]" 1
1752 1 91 GLU H 1 92 ALA H . . 3.430 2.522 2.485 2.580 . 0 0 "[ . 1 . 2]" 1
1753 1 91 GLU H 1 92 ALA HA . . 5.430 5.105 5.065 5.177 . 0 0 "[ . 1 . 2]" 1
1754 1 91 GLU H 1 92 ALA MB . . 4.600 4.180 4.117 4.284 . 0 0 "[ . 1 . 2]" 1
1755 1 91 GLU HA 1 91 GLU HG2 . . 4.040 3.673 2.448 4.260 0.220 2 0 "[ . 1 . 2]" 1
1756 1 91 GLU HA 1 91 GLU HG3 . . 3.640 3.645 3.001 4.124 0.484 20 0 "[ . 1 . 2]" 1
1757 1 91 GLU HA 1 94 TYR H . . 4.580 4.042 3.629 4.476 . 0 0 "[ . 1 . 2]" 1
1758 1 91 GLU HA 1 96 VAL H . . 5.470 5.221 4.784 5.686 0.216 19 0 "[ . 1 . 2]" 1
1759 1 91 GLU HA 1 96 VAL QG . . 4.610 3.093 2.568 4.153 . 0 0 "[ . 1 . 2]" 1
1760 1 91 GLU QB 1 92 ALA H . . 3.870 3.392 2.747 3.733 . 0 0 "[ . 1 . 2]" 1
1761 1 91 GLU HG2 1 92 ALA H . . 4.350 4.063 3.789 4.657 0.307 1 0 "[ . 1 . 2]" 1
1762 1 91 GLU HG3 1 92 ALA H . . 4.560 3.464 2.383 5.009 0.449 17 0 "[ . 1 . 2]" 1
1763 1 91 GLU HG3 1 96 VAL QG . . 4.710 4.563 3.849 4.931 0.221 6 0 "[ . 1 . 2]" 1
1764 1 92 ALA H 1 92 ALA MB . . 2.890 2.239 2.184 2.337 . 0 0 "[ . 1 . 2]" 1
1765 1 92 ALA H 1 93 LYS HB2 . . 4.870 4.123 3.998 4.226 . 0 0 "[ . 1 . 2]" 1
1766 1 92 ALA H 1 93 LYS HB3 . . 5.500 5.631 5.534 5.744 0.244 1 0 "[ . 1 . 2]" 1
1767 1 92 ALA H 1 93 LYS HG2 . . 5.310 5.174 4.230 5.429 0.119 2 0 "[ . 1 . 2]" 1
1768 1 92 ALA H 1 94 TYR H . . 4.440 4.301 3.921 4.468 0.028 15 0 "[ . 1 . 2]" 1
1769 1 92 ALA MB 1 93 LYS H . . 3.600 3.384 3.095 3.722 0.122 8 0 "[ . 1 . 2]" 1
1770 1 92 ALA MB 1 93 LYS HG2 . . 4.450 3.876 3.184 4.016 . 0 0 "[ . 1 . 2]" 1
1771 1 92 ALA MB 1 93 LYS HG3 . . 3.970 3.632 2.948 4.091 0.121 2 0 "[ . 1 . 2]" 1
1772 1 92 ALA MB 1 94 TYR H . . 5.130 5.194 5.049 5.351 0.221 17 0 "[ . 1 . 2]" 1
1773 1 93 LYS H 1 93 LYS HB2 . . 3.340 2.620 2.367 2.959 . 0 0 "[ . 1 . 2]" 1
1774 1 93 LYS H 1 93 LYS HB3 . . 3.770 3.683 3.484 3.922 0.152 8 0 "[ . 1 . 2]" 1
1775 1 93 LYS H 1 93 LYS QD . . 4.900 4.884 4.517 5.044 0.144 5 0 "[ . 1 . 2]" 1
1776 1 93 LYS H 1 93 LYS HG2 . . 4.180 3.875 3.103 4.158 . 0 0 "[ . 1 . 2]" 1
1777 1 93 LYS H 1 93 LYS HG3 . . 4.160 3.837 3.414 4.213 0.053 14 0 "[ . 1 . 2]" 1
1778 1 93 LYS H 1 94 TYR H . . 3.020 2.296 1.896 2.495 . 0 0 "[ . 1 . 2]" 1
1779 1 93 LYS H 1 94 TYR HA . . 5.500 4.640 4.339 4.847 . 0 0 "[ . 1 . 2]" 1
1780 1 93 LYS H 1 94 TYR HB2 . . 4.750 4.047 3.894 4.144 . 0 0 "[ . 1 . 2]" 1
1781 1 93 LYS H 1 94 TYR HB3 . . 5.390 5.431 5.225 5.552 0.162 12 0 "[ . 1 . 2]" 1
1782 1 93 LYS HA 1 93 LYS QD . . 4.310 3.415 2.830 3.864 . 0 0 "[ . 1 . 2]" 1
1783 1 93 LYS HA 1 93 LYS HG2 . . 4.040 2.130 2.023 2.386 . 0 0 "[ . 1 . 2]" 1
1784 1 93 LYS HA 1 93 LYS HG3 . . 3.880 3.312 3.087 3.621 . 0 0 "[ . 1 . 2]" 1
1785 1 93 LYS HB2 1 94 TYR H . . 3.970 2.507 2.244 2.711 . 0 0 "[ . 1 . 2]" 1
1786 1 93 LYS HB3 1 93 LYS QD . . 3.800 2.128 1.950 2.385 . 0 0 "[ . 1 . 2]" 1
1787 1 93 LYS HB3 1 94 TYR H . . 4.520 3.026 2.685 3.551 . 0 0 "[ . 1 . 2]" 1
1788 1 93 LYS QD 1 94 TYR H . . 5.500 4.703 4.450 4.986 . 0 0 "[ . 1 . 2]" 1
1789 1 94 TYR H 1 94 TYR HB2 . . 3.730 2.155 2.068 2.224 . 0 0 "[ . 1 . 2]" 1
1790 1 94 TYR H 1 94 TYR HB3 . . 4.140 3.426 3.393 3.465 . 0 0 "[ . 1 . 2]" 1
1791 1 94 TYR H 1 94 TYR QD . . 4.690 3.241 3.148 3.376 . 0 0 "[ . 1 . 2]" 1
1792 1 94 TYR H 1 95 PRO HA . . 5.500 5.448 5.255 5.605 0.105 7 0 "[ . 1 . 2]" 1
1793 1 94 TYR HA 1 94 TYR QD . . 3.630 2.034 1.959 2.170 . 0 0 "[ . 1 . 2]" 1
1794 1 94 TYR HA 1 95 PRO HD2 . . 3.270 2.459 2.342 2.521 . 0 0 "[ . 1 . 2]" 1
1795 1 94 TYR HA 1 95 PRO HD3 . . 3.040 1.922 1.918 1.932 . 0 0 "[ . 1 . 2]" 1
1796 1 94 TYR HA 1 95 PRO HG2 . . 4.640 4.465 4.398 4.503 . 0 0 "[ . 1 . 2]" 1
1797 1 94 TYR HA 1 95 PRO HG3 . . 4.670 4.192 4.185 4.199 . 0 0 "[ . 1 . 2]" 1
1798 1 94 TYR HB2 1 95 PRO HD2 . . 4.530 4.328 4.239 4.495 . 0 0 "[ . 1 . 2]" 1
1799 1 94 TYR HB2 1 95 PRO HD3 . . 4.660 4.725 4.684 4.797 0.137 13 0 "[ . 1 . 2]" 1
1800 1 94 TYR HB3 1 95 PRO HD2 . . 3.960 2.898 2.763 3.170 . 0 0 "[ . 1 . 2]" 1
1801 1 94 TYR HB3 1 95 PRO HD3 . . 4.180 3.820 3.718 4.019 . 0 0 "[ . 1 . 2]" 1
1802 1 94 TYR QD 1 95 PRO HD2 . . 4.640 3.006 2.577 3.284 . 0 0 "[ . 1 . 2]" 1
1803 1 94 TYR QD 1 95 PRO HD3 . . 4.660 3.071 2.859 3.399 . 0 0 "[ . 1 . 2]" 1
1804 1 95 PRO HA 1 96 VAL H . . 2.790 2.195 2.170 2.239 . 0 0 "[ . 1 . 2]" 1
1805 1 95 PRO HA 1 96 VAL HB . . 4.540 4.631 4.451 4.885 0.345 6 0 "[ . 1 . 2]" 1
1806 1 95 PRO HA 1 96 VAL QG . . 4.230 3.307 3.154 3.448 . 0 0 "[ . 1 . 2]" 1
1807 1 95 PRO HA 1 97 VAL QG . . 4.460 4.769 4.705 4.819 0.359 6 0 "[ . 1 . 2]" 1
1808 1 95 PRO HB2 1 96 VAL H . . 4.010 3.448 3.272 3.575 . 0 0 "[ . 1 . 2]" 1
1809 1 95 PRO HB2 1 97 VAL QG . . 3.670 3.155 3.066 3.279 . 0 0 "[ . 1 . 2]" 1
1810 1 95 PRO HB3 1 96 VAL H . . 4.040 3.829 3.715 3.915 . 0 0 "[ . 1 . 2]" 1
1811 1 95 PRO HB3 1 97 VAL QG . . 4.520 4.614 4.532 4.742 0.222 17 0 "[ . 1 . 2]" 1
1812 1 95 PRO HG2 1 97 VAL QG . . 4.430 3.576 3.475 3.785 . 0 0 "[ . 1 . 2]" 1
1813 1 95 PRO HG3 1 96 VAL H . . 5.440 5.630 5.543 5.689 0.249 6 0 "[ . 1 . 2]" 1
1814 1 95 PRO HG3 1 97 VAL QG . . 4.800 4.811 4.763 4.966 0.166 6 0 "[ . 1 . 2]" 1
1815 1 96 VAL H 1 96 VAL HB . . 3.240 2.583 2.333 3.207 . 0 0 "[ . 1 . 2]" 1
1816 1 96 VAL H 1 96 VAL QG . . 3.320 2.164 1.728 2.451 . 0 0 "[ . 1 . 2]" 1
1817 1 96 VAL H 1 97 VAL HA . . 4.850 5.026 4.958 5.099 0.249 19 0 "[ . 1 . 2]" 1
1818 1 96 VAL HA 1 96 VAL QG . . 3.280 2.209 2.081 2.557 . 0 0 "[ . 1 . 2]" 1
1819 1 96 VAL HA 1 97 VAL H . . 2.870 2.192 2.186 2.199 . 0 0 "[ . 1 . 2]" 1
1820 1 96 VAL HA 1 97 VAL QG . . 4.150 3.359 3.281 3.388 . 0 0 "[ . 1 . 2]" 1
1821 1 96 VAL HA 1 98 GLY H . . 4.110 3.246 3.196 3.534 . 0 0 "[ . 1 . 2]" 1
1822 1 96 VAL HB 1 98 GLY H . . 5.370 4.243 3.922 4.903 . 0 0 "[ . 1 . 2]" 1
1823 1 96 VAL QG 1 97 VAL H . . 3.560 2.976 2.892 3.235 . 0 0 "[ . 1 . 2]" 1
1824 1 96 VAL QG 1 97 VAL HA . . 4.450 4.014 3.627 4.214 . 0 0 "[ . 1 . 2]" 1
1825 1 96 VAL QG 1 98 GLY H . . 3.180 1.946 1.850 2.480 . 0 0 "[ . 1 . 2]" 1
1826 1 97 VAL H 1 97 VAL QG . . 3.160 1.983 1.838 2.022 . 0 0 "[ . 1 . 2]" 1
1827 1 97 VAL H 1 98 GLY H . . 3.180 2.350 2.245 2.542 . 0 0 "[ . 1 . 2]" 1
1828 1 97 VAL HB 1 98 GLY H . . 4.690 4.333 3.963 4.503 . 0 0 "[ . 1 . 2]" 1
1829 1 97 VAL QG 1 98 GLY H . . 3.780 2.666 1.905 3.098 . 0 0 "[ . 1 . 2]" 1
1830 1 97 VAL QG 1 98 GLY HA3 . . 4.460 3.351 3.138 3.557 . 0 0 "[ . 1 . 2]" 1
1831 1 98 GLY H 1 99 ARG H . . 5.140 4.364 4.250 4.399 . 0 0 "[ . 1 . 2]" 1
1832 1 98 GLY H 1 99 ARG HA . . 5.380 4.486 4.449 4.542 . 0 0 "[ . 1 . 2]" 1
1833 1 98 GLY HA2 1 99 ARG H . . 3.390 2.641 2.515 2.883 . 0 0 "[ . 1 . 2]" 1
1834 1 98 GLY HA3 1 99 ARG H . . 3.270 2.601 2.390 2.731 . 0 0 "[ . 1 . 2]" 1
1835 1 99 ARG H 1 99 ARG QB . . 3.690 2.664 2.418 2.871 . 0 0 "[ . 1 . 2]" 1
1836 1 99 ARG H 1 99 ARG QD . . 5.150 3.530 1.849 4.792 . 0 0 "[ . 1 . 2]" 1
1837 1 99 ARG H 1 99 ARG HG2 . . 4.330 3.645 3.130 4.419 0.089 20 0 "[ . 1 . 2]" 1
1838 1 99 ARG H 1 99 ARG HG3 . . 3.980 3.215 2.242 4.646 0.666 19 1 "[ . 1 . +2]" 1
1839 1 99 ARG HA 1 99 ARG QD . . 4.640 3.511 2.655 3.902 . 0 0 "[ . 1 . 2]" 1
1840 1 99 ARG HA 1 99 ARG HG3 . . 4.170 3.734 3.298 4.218 0.048 10 0 "[ . 1 . 2]" 1
1841 1 99 ARG HA 1 100 VAL H . . 3.030 2.282 2.241 2.358 . 0 0 "[ . 1 . 2]" 1
1842 1 99 ARG HA 1 100 VAL MG2 . . 4.420 3.933 3.677 4.190 . 0 0 "[ . 1 . 2]" 1
1843 1 99 ARG QB 1 99 ARG QD . . 3.450 2.168 1.992 2.371 . 0 0 "[ . 1 . 2]" 1
1844 1 99 ARG QB 1 100 VAL H . . 3.680 3.241 2.931 3.720 0.040 20 0 "[ . 1 . 2]" 1
1845 1 99 ARG QB 1 101 VAL QG . . 4.640 4.262 3.204 4.694 0.054 16 0 "[ . 1 . 2]" 1
1846 1 99 ARG QD 1 100 VAL H . . 5.460 3.485 2.463 4.479 . 0 0 "[ . 1 . 2]" 1
1847 1 99 ARG QD 1 100 VAL HA . . 4.340 4.249 3.527 4.655 0.315 19 0 "[ . 1 . 2]" 1
1848 1 99 ARG QD 1 101 VAL H . . 5.500 4.563 3.434 5.504 0.004 19 0 "[ . 1 . 2]" 1
1849 1 99 ARG QD 1 101 VAL QG . . 3.750 2.669 1.998 3.753 0.003 13 0 "[ . 1 . 2]" 1
1850 1 99 ARG HG2 1 100 VAL H . . 4.850 4.519 3.383 5.311 0.461 14 0 "[ . 1 . 2]" 1
1851 1 99 ARG HG3 1 100 VAL H . . 4.830 4.321 3.261 4.890 0.060 15 0 "[ . 1 . 2]" 1
1852 1 100 VAL H 1 100 VAL HB . . 3.380 2.276 2.147 2.370 . 0 0 "[ . 1 . 2]" 1
1853 1 100 VAL H 1 100 VAL MG1 . . 4.200 3.666 3.606 3.694 . 0 0 "[ . 1 . 2]" 1
1854 1 100 VAL H 1 100 VAL MG2 . . 3.220 2.332 2.065 2.691 . 0 0 "[ . 1 . 2]" 1
1855 1 100 VAL HA 1 100 VAL MG1 . . 3.330 2.548 2.466 2.684 . 0 0 "[ . 1 . 2]" 1
1856 1 100 VAL HA 1 100 VAL MG2 . . 3.290 2.164 2.054 2.311 . 0 0 "[ . 1 . 2]" 1
1857 1 100 VAL HA 1 101 VAL H . . 2.760 2.284 2.185 2.489 . 0 0 "[ . 1 . 2]" 1
1858 1 100 VAL HA 1 101 VAL QG . . 4.240 3.175 2.887 4.247 0.007 13 0 "[ . 1 . 2]" 1
1859 1 100 VAL HA 1 102 SER H . . 5.090 4.562 4.007 5.438 0.348 9 0 "[ . 1 . 2]" 1
1860 1 100 VAL HB 1 101 VAL H . . 4.810 4.211 3.879 4.568 . 0 0 "[ . 1 . 2]" 1
1861 1 100 VAL MG1 1 101 VAL H . . 3.410 2.404 1.831 3.047 . 0 0 "[ . 1 . 2]" 1
1862 1 100 VAL MG1 1 101 VAL HA . . 4.560 3.443 2.994 3.819 . 0 0 "[ . 1 . 2]" 1
1863 1 100 VAL MG1 1 102 SER H . . 4.370 3.661 3.131 4.313 . 0 0 "[ . 1 . 2]" 1
1864 1 100 VAL MG1 1 102 SER HA . . 4.810 4.349 3.866 4.854 0.044 1 0 "[ . 1 . 2]" 1
1865 1 100 VAL MG2 1 101 VAL H . . 4.320 3.761 3.406 3.954 . 0 0 "[ . 1 . 2]" 1
1866 1 101 VAL H 1 101 VAL HB . . 4.040 3.463 2.853 3.682 . 0 0 "[ . 1 . 2]" 1
1867 1 101 VAL H 1 101 VAL QG . . 3.100 2.042 1.773 3.017 . 0 0 "[ . 1 . 2]" 1
1868 1 101 VAL H 1 102 SER H . . 4.160 2.493 1.915 4.178 0.018 9 0 "[ . 1 . 2]" 1
1869 1 101 VAL HA 1 101 VAL HB . . 3.000 2.703 2.525 2.819 . 0 0 "[ . 1 . 2]" 1
1870 1 101 VAL HA 1 101 VAL QG . . 2.940 2.089 1.986 2.178 . 0 0 "[ . 1 . 2]" 1
1871 1 101 VAL HB 1 102 SER H . . 3.210 2.768 2.065 3.855 0.645 9 1 "[ . +1 . 2]" 1
1872 1 101 VAL QG 1 102 SER H . . 4.030 2.038 1.875 3.713 . 0 0 "[ . 1 . 2]" 1
1873 1 101 VAL QG 1 102 SER HA . . 4.730 3.776 3.185 4.223 . 0 0 "[ . 1 . 2]" 1
1874 1 102 SER H 1 102 SER QB . . 3.520 2.804 2.052 3.177 . 0 0 "[ . 1 . 2]" 1
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