NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
571818 |
2m7z   |
19217 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7z
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 1643
_Distance_constraint_stats_list.Viol_count 1986
_Distance_constraint_stats_list.Viol_total 6930.310
_Distance_constraint_stats_list.Viol_max 1.909
_Distance_constraint_stats_list.Viol_rms 0.0783
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.1745
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 15.985 1.691 2 10 "[*+ . * 1- * .*****]"
1 5 LYS 21.521 1.691 2 10 "[*+ . * 1* * .**-**]"
1 6 PRO 7.053 0.747 17 3 "[ * . 1 . +- 2]"
1 7 LYS 6.633 0.369 10 0 "[ . 1 . 2]"
1 8 VAL 2.142 0.321 1 0 "[ . 1 . 2]"
1 9 LYS 18.307 1.445 11 16 "[**-*** * *+ *******]"
1 10 LYS 5.393 0.886 19 2 "[ . -1 . +2]"
1 11 HIS 0.066 0.066 14 0 "[ . 1 . 2]"
1 12 ILE 70.478 1.909 7 20 [-*****+*************]
1 13 THR 52.372 1.909 7 20 [******+********-****]
1 14 SER 8.750 0.336 9 0 "[ . 1 . 2]"
1 15 ALA 9.173 0.838 14 5 "[* * . * +. - 2]"
1 16 LEU 24.180 0.928 7 19 "[- ****+*************]"
1 17 LYS 1.244 0.238 16 0 "[ . 1 . 2]"
1 18 LYS 0.208 0.081 10 0 "[ . 1 . 2]"
1 19 LEU 4.391 0.216 8 0 "[ . 1 . 2]"
1 20 VAL 3.957 0.257 15 0 "[ . 1 . 2]"
1 21 ASP 0.035 0.019 19 0 "[ . 1 . 2]"
1 22 LYS 22.340 0.757 12 18 "[* - *******+********]"
1 23 TYR 9.427 0.944 20 5 "[ . - 1** * +]"
1 24 ARG 7.671 0.944 20 5 "[ . - 1** * +]"
1 25 ASN 6.669 0.757 12 8 "[* - . *1*+ * * *]"
1 26 ASP 6.408 0.606 8 2 "[ . + 1 -. 2]"
1 27 GLU 1.666 0.231 14 0 "[ . 1 . 2]"
1 28 HIS 1.375 0.208 17 0 "[ . 1 . 2]"
1 29 VAL 7.291 0.559 8 12 "[ * ***+ * * .*-***]"
1 30 ARG 6.552 0.381 11 0 "[ . 1 . 2]"
1 31 LYS 4.471 0.208 17 0 "[ . 1 . 2]"
1 32 VAL 3.496 0.417 8 0 "[ . 1 . 2]"
1 33 PHE 5.831 0.417 8 0 "[ . 1 . 2]"
1 34 ASP 1.699 0.381 11 0 "[ . 1 . 2]"
1 35 GLU 7.378 0.639 11 4 "[ * 1+* .* 2]"
1 36 ILE 21.271 0.928 7 15 "[* -**+ ******* ***]"
1 37 GLN 12.811 0.386 15 0 "[ . 1 . 2]"
1 38 GLN 7.214 0.236 11 0 "[ . 1 . 2]"
1 39 LYS 12.534 0.639 11 4 "[ * 1+* .* 2]"
1 40 LEU 12.584 1.115 17 8 "[ * * 1** .-+**2]"
1 41 HIS 1.033 0.168 16 0 "[ . 1 . 2]"
1 42 CYS 5.186 0.494 18 0 "[ . 1 . 2]"
1 43 CYS 5.867 0.300 6 0 "[ . 1 . 2]"
1 44 GLY 0.440 0.081 8 0 "[ . 1 . 2]"
1 45 ALA 1.337 0.207 10 0 "[ . 1 . 2]"
1 46 ASP 1.011 0.150 3 0 "[ . 1 . 2]"
1 47 SER 1.067 0.206 19 0 "[ . 1 . 2]"
1 48 PRO 8.902 0.371 4 0 "[ . 1 . 2]"
1 49 LYS 0.704 0.318 6 0 "[ . 1 . 2]"
1 50 ASP 3.280 0.207 10 0 "[ . 1 . 2]"
1 51 TYR 3.282 0.271 10 0 "[ . 1 . 2]"
1 52 GLY 0.166 0.023 5 0 "[ . 1 . 2]"
1 53 GLU 1.700 0.189 1 0 "[ . 1 . 2]"
1 54 ASN 1.971 0.271 10 0 "[ . 1 . 2]"
1 55 PRO 6.418 0.431 9 0 "[ . 1 . 2]"
1 56 PRO 1.917 0.281 18 0 "[ . 1 . 2]"
1 57 THR 0.001 0.001 9 0 "[ . 1 . 2]"
1 58 SER 0.490 0.118 9 0 "[ . 1 . 2]"
1 59 CYS 7.087 0.386 15 0 "[ . 1 . 2]"
1 60 SER 19.158 0.925 2 16 "[*+* *** ******* -**]"
1 61 LYS 8.939 0.280 8 0 "[ . 1 . 2]"
1 62 ASP 0.675 0.092 11 0 "[ . 1 . 2]"
1 63 GLY 0.293 0.058 13 0 "[ . 1 . 2]"
1 64 VAL 0.236 0.032 12 0 "[ . 1 . 2]"
1 65 GLN 6.403 0.371 4 0 "[ . 1 . 2]"
1 66 PHE 29.215 0.925 2 16 "[*+* *** ******* -**]"
1 67 THR 11.607 0.585 18 5 "[ * . - 1** . + 2]"
1 68 GLU 21.029 0.852 4 8 "[ *+. -* 1** * * 2]"
1 69 GLY 4.725 0.304 11 0 "[ . 1 . 2]"
1 70 CYS 1.920 0.287 2 0 "[ . 1 . 2]"
1 71 ILE 1.804 0.238 16 0 "[ . 1 . 2]"
1 72 LYS 15.993 0.944 17 19 "[* **************+*-*]"
1 73 LYS 12.338 0.852 4 3 "[ +. - 1 * 2]"
1 74 VAL 23.054 0.944 17 20 [****************+*-*]
1 75 SER 11.863 0.746 8 8 "[ * * + 1*** .- * 2]"
1 76 ASP 2.227 0.222 13 0 "[ . 1 . 2]"
1 77 LEU 0.370 0.081 18 0 "[ . 1 . 2]"
1 78 SER 5.580 0.320 19 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HB2 1 3 ASN H . . 5.500 3.913 2.332 4.632 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HB3 1 3 ASN H . . 5.500 3.789 2.048 4.662 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASN H 1 4 GLU H . . 4.550 3.750 2.296 4.278 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU H 1 4 GLU QB . . 3.100 2.560 2.208 3.036 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU H 1 4 GLU QG . . 4.200 3.261 1.929 4.196 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 5 LYS QD . . 4.680 4.394 2.406 6.371 1.691 2 5 "[ + . 1 - . ** *]" 1
7 1 4 GLU H 1 5 LYS QG . . 4.710 4.964 3.000 6.304 1.594 19 5 "[* . * 1- .* +2]" 1
8 1 4 GLU HA 1 5 LYS H . . 3.050 2.334 2.141 2.824 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU QB 1 5 LYS H . . 4.300 3.482 2.552 4.005 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU HB2 1 5 LYS H . . 4.940 3.887 2.586 4.650 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU HB3 1 5 LYS H . . 4.940 4.150 3.368 4.524 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLU QG 1 5 LYS H . . 5.130 3.690 1.941 4.443 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLU QG 1 6 PRO QD . . 4.710 3.057 2.295 4.153 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS H 1 5 LYS HB2 . . 3.780 2.777 2.332 3.685 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 5 LYS QB . . 3.040 2.605 2.297 3.111 0.071 20 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 5 LYS HB3 . . 3.780 3.567 3.164 3.768 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 5 LYS QD . . 3.660 2.809 1.900 3.656 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS H 1 5 LYS QE . . 5.410 4.338 2.938 5.280 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS H 1 5 LYS QG . . 3.950 3.013 2.065 3.944 . 0 0 "[ . 1 . 2]" 1
20 1 5 LYS H 1 6 PRO HD2 . . 4.690 4.510 4.490 4.534 . 0 0 "[ . 1 . 2]" 1
21 1 5 LYS H 1 6 PRO QD . . 4.110 3.757 3.728 3.797 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS H 1 6 PRO HD3 . . 4.690 4.021 3.984 4.074 . 0 0 "[ . 1 . 2]" 1
23 1 5 LYS HA 1 5 LYS QD . . 4.270 3.223 2.067 4.107 . 0 0 "[ . 1 . 2]" 1
24 1 5 LYS HA 1 5 LYS QE . . 5.010 4.455 2.480 5.424 0.414 20 0 "[ . 1 . 2]" 1
25 1 5 LYS QB 1 5 LYS QD . . 3.030 2.229 2.032 2.590 . 0 0 "[ . 1 . 2]" 1
26 1 5 LYS QB 1 6 PRO QD . . 4.090 3.477 3.381 3.629 . 0 0 "[ . 1 . 2]" 1
27 1 5 LYS HB2 1 5 LYS QD . . 3.470 2.572 2.069 3.432 . 0 0 "[ . 1 . 2]" 1
28 1 5 LYS HB3 1 5 LYS QD . . 3.470 2.932 2.054 3.484 0.014 19 0 "[ . 1 . 2]" 1
29 1 5 LYS QD 1 6 PRO HD2 . . 5.500 4.783 3.366 5.729 0.229 18 0 "[ . 1 . 2]" 1
30 1 5 LYS QD 1 6 PRO QD . . 4.790 4.372 3.211 5.290 0.500 18 1 "[ . 1 . + 2]" 1
31 1 5 LYS QD 1 6 PRO HD3 . . 5.500 5.094 4.057 6.247 0.747 17 3 "[ * . 1 . +- 2]" 1
32 1 6 PRO HA 1 7 LYS H . . 2.950 2.400 2.185 2.412 . 0 0 "[ . 1 . 2]" 1
33 1 6 PRO HA 1 7 LYS QG . . 4.330 3.784 3.221 4.668 0.338 5 0 "[ . 1 . 2]" 1
34 1 6 PRO QB 1 7 LYS H . . 3.400 2.544 2.512 3.124 . 0 0 "[ . 1 . 2]" 1
35 1 6 PRO HD2 1 7 LYS H . . 5.500 5.574 5.570 5.638 0.138 10 0 "[ . 1 . 2]" 1
36 1 6 PRO HD3 1 7 LYS H . . 5.500 5.533 5.529 5.590 0.090 10 0 "[ . 1 . 2]" 1
37 1 6 PRO HG2 1 7 LYS H . . 4.490 4.423 4.399 4.859 0.369 10 0 "[ . 1 . 2]" 1
38 1 7 LYS H 1 7 LYS QB . . 3.200 2.651 2.262 2.891 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS H 1 7 LYS QD . . 4.340 3.818 1.971 4.341 0.001 1 0 "[ . 1 . 2]" 1
40 1 7 LYS H 1 7 LYS QE . . 5.320 3.875 2.664 5.294 . 0 0 "[ . 1 . 2]" 1
41 1 7 LYS H 1 7 LYS HG2 . . 3.970 3.287 1.953 4.221 0.251 2 0 "[ . 1 . 2]" 1
42 1 7 LYS H 1 7 LYS QG . . 3.280 2.577 1.944 3.194 . 0 0 "[ . 1 . 2]" 1
43 1 7 LYS H 1 7 LYS HG3 . . 3.970 3.230 2.299 4.220 0.250 12 0 "[ . 1 . 2]" 1
44 1 7 LYS H 1 8 VAL H . . 4.460 4.404 4.064 4.562 0.102 10 0 "[ . 1 . 2]" 1
45 1 7 LYS H 1 8 VAL HA . . 5.290 5.062 4.776 5.293 0.003 6 0 "[ . 1 . 2]" 1
46 1 7 LYS H 1 8 VAL QG . . 5.050 4.531 3.139 5.371 0.321 1 0 "[ . 1 . 2]" 1
47 1 7 LYS HA 1 7 LYS QD . . 4.830 3.793 2.005 4.453 . 0 0 "[ . 1 . 2]" 1
48 1 7 LYS HA 1 7 LYS QE . . 5.220 4.455 3.282 5.311 0.091 5 0 "[ . 1 . 2]" 1
49 1 7 LYS HA 1 7 LYS QG . . 3.740 2.842 2.372 3.421 . 0 0 "[ . 1 . 2]" 1
50 1 7 LYS HA 1 8 VAL H . . 2.860 2.213 2.140 2.348 . 0 0 "[ . 1 . 2]" 1
51 1 7 LYS QB 1 7 LYS QD . . 2.720 2.188 1.959 2.513 . 0 0 "[ . 1 . 2]" 1
52 1 7 LYS QB 1 8 VAL H . . 3.680 3.025 2.541 3.491 . 0 0 "[ . 1 . 2]" 1
53 1 7 LYS HB2 1 8 VAL H . . 4.510 3.720 2.577 4.390 . 0 0 "[ . 1 . 2]" 1
54 1 7 LYS HB3 1 8 VAL H . . 4.510 3.515 2.615 4.278 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS QG 1 8 VAL H . . 4.630 4.117 3.511 4.480 . 0 0 "[ . 1 . 2]" 1
56 1 7 LYS HG2 1 8 VAL H . . 5.500 4.623 3.897 5.051 . 0 0 "[ . 1 . 2]" 1
57 1 7 LYS HG3 1 8 VAL H . . 5.500 4.699 3.693 5.290 . 0 0 "[ . 1 . 2]" 1
58 1 8 VAL H 1 8 VAL HB . . 3.160 2.939 2.470 3.165 0.005 13 0 "[ . 1 . 2]" 1
59 1 8 VAL H 1 8 VAL QG . . 2.740 2.429 2.062 2.801 0.061 5 0 "[ . 1 . 2]" 1
60 1 8 VAL H 1 9 LYS H . . 4.780 4.440 4.321 4.638 . 0 0 "[ . 1 . 2]" 1
61 1 8 VAL HA 1 8 VAL QG . . 3.140 2.113 2.042 2.199 . 0 0 "[ . 1 . 2]" 1
62 1 8 VAL HA 1 9 LYS H . . 2.960 2.277 2.181 2.371 . 0 0 "[ . 1 . 2]" 1
63 1 8 VAL HA 1 11 HIS QB . . 5.180 4.407 3.821 4.934 . 0 0 "[ . 1 . 2]" 1
64 1 8 VAL HB 1 9 LYS H . . 3.970 3.847 3.382 3.986 0.016 9 0 "[ . 1 . 2]" 1
65 1 8 VAL HB 1 11 HIS H . . 4.930 3.485 1.985 4.996 0.066 14 0 "[ . 1 . 2]" 1
66 1 8 VAL QG 1 9 LYS H . . 3.780 1.967 1.903 2.284 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL QG 1 10 LYS H . . 4.950 1.902 1.780 2.190 . 0 0 "[ . 1 . 2]" 1
68 1 9 LYS H 1 9 LYS QB . . 3.150 2.606 2.364 3.021 . 0 0 "[ . 1 . 2]" 1
69 1 9 LYS H 1 9 LYS QD . . 3.050 3.854 2.821 4.495 1.445 11 16 "[**-*** * *+ *******]" 1
70 1 9 LYS H 1 9 LYS QE . . 5.500 4.205 2.935 5.069 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS H 1 9 LYS HG2 . . 4.350 2.623 1.943 3.549 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS H 1 9 LYS QG . . 3.490 2.166 1.886 2.522 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS H 1 9 LYS HG3 . . 4.350 2.805 1.893 3.926 . 0 0 "[ . 1 . 2]" 1
74 1 9 LYS HA 1 9 LYS QE . . 5.340 4.279 2.452 5.381 0.041 9 0 "[ . 1 . 2]" 1
75 1 9 LYS HA 1 9 LYS HG2 . . 4.090 3.070 2.470 4.220 0.130 9 0 "[ . 1 . 2]" 1
76 1 9 LYS HA 1 9 LYS QG . . 3.540 2.862 2.419 3.419 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS HA 1 9 LYS HG3 . . 4.090 3.605 3.229 3.863 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS HA 1 11 HIS H . . 5.500 4.385 3.600 5.471 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS QB 1 10 LYS H . . 3.730 2.975 2.603 3.633 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS HB2 1 10 LYS H . . 4.440 3.114 2.654 3.978 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS HB3 1 10 LYS H . . 4.440 3.965 3.765 4.256 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS QD 1 10 LYS H . . 5.030 4.665 2.291 5.514 0.484 11 0 "[ . 1 . 2]" 1
83 1 10 LYS H 1 10 LYS HA . . 2.920 2.874 2.765 2.919 . 0 0 "[ . 1 . 2]" 1
84 1 10 LYS H 1 10 LYS QB . . 2.910 2.379 2.185 2.757 . 0 0 "[ . 1 . 2]" 1
85 1 10 LYS H 1 10 LYS QD . . 4.430 3.201 1.994 4.418 . 0 0 "[ . 1 . 2]" 1
86 1 10 LYS H 1 10 LYS QG . . 3.540 3.095 1.941 4.053 0.513 9 1 "[ . +1 . 2]" 1
87 1 10 LYS HA 1 10 LYS QD . . 4.690 2.990 2.054 3.695 . 0 0 "[ . 1 . 2]" 1
88 1 10 LYS HA 1 10 LYS QE . . 5.500 4.530 3.532 5.445 . 0 0 "[ . 1 . 2]" 1
89 1 10 LYS HA 1 10 LYS QG . . 3.740 2.546 2.159 3.428 . 0 0 "[ . 1 . 2]" 1
90 1 10 LYS HA 1 12 ILE HB . . 5.440 5.246 4.801 6.326 0.886 19 1 "[ . 1 . +2]" 1
91 1 10 LYS HA 1 12 ILE MG . . 5.500 3.139 2.695 3.870 . 0 0 "[ . 1 . 2]" 1
92 1 10 LYS QB 1 10 LYS QD . . 2.540 2.204 2.011 2.514 . 0 0 "[ . 1 . 2]" 1
93 1 10 LYS QB 1 10 LYS QE . . 4.160 3.281 2.148 3.820 . 0 0 "[ . 1 . 2]" 1
94 1 10 LYS QG 1 11 HIS H . . 5.340 4.040 2.014 4.707 . 0 0 "[ . 1 . 2]" 1
95 1 11 HIS HA 1 11 HIS HD2 . . 4.610 3.607 2.323 4.438 . 0 0 "[ . 1 . 2]" 1
96 1 11 HIS HA 1 12 ILE HA . . 5.500 4.891 4.851 4.901 . 0 0 "[ . 1 . 2]" 1
97 1 11 HIS HA 1 13 THR H . . 5.310 3.678 3.569 3.826 . 0 0 "[ . 1 . 2]" 1
98 1 11 HIS HA 1 14 SER H . . 4.870 3.519 3.267 3.666 . 0 0 "[ . 1 . 2]" 1
99 1 11 HIS HA 1 14 SER QB . . 4.530 3.891 3.493 4.498 . 0 0 "[ . 1 . 2]" 1
100 1 11 HIS QB 1 12 ILE H . . 4.530 3.019 2.682 3.567 . 0 0 "[ . 1 . 2]" 1
101 1 11 HIS QB 1 13 THR H . . 5.500 4.654 4.484 4.870 . 0 0 "[ . 1 . 2]" 1
102 1 11 HIS QB 1 14 SER H . . 5.500 4.825 4.501 5.213 . 0 0 "[ . 1 . 2]" 1
103 1 12 ILE H 1 12 ILE HB . . 3.580 2.433 2.395 2.503 . 0 0 "[ . 1 . 2]" 1
104 1 12 ILE H 1 12 ILE MD . . 4.670 4.305 4.244 4.386 . 0 0 "[ . 1 . 2]" 1
105 1 12 ILE H 1 12 ILE HG12 . . 4.670 4.552 4.357 4.637 . 0 0 "[ . 1 . 2]" 1
106 1 12 ILE H 1 12 ILE QG . . 4.020 3.967 3.941 3.999 . 0 0 "[ . 1 . 2]" 1
107 1 12 ILE H 1 12 ILE HG13 . . 4.670 4.379 4.313 4.620 . 0 0 "[ . 1 . 2]" 1
108 1 12 ILE H 1 12 ILE MG . . 4.020 2.287 2.150 2.358 . 0 0 "[ . 1 . 2]" 1
109 1 12 ILE H 1 13 THR H . . 2.980 2.763 2.718 2.776 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE HA 1 12 ILE MD . . 4.020 3.576 3.359 3.775 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE HA 1 12 ILE MG . . 3.400 3.194 3.188 3.202 . 0 0 "[ . 1 . 2]" 1
112 1 12 ILE HA 1 15 ALA H . . 4.600 3.377 3.138 3.556 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE HA 1 15 ALA MB . . 3.550 2.366 2.124 3.130 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE HA 1 16 LEU QD . . 4.910 3.691 3.214 4.110 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE HB 1 12 ILE MD . . 3.540 2.457 2.234 3.157 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE HB 1 13 THR H . . 3.990 3.982 3.953 4.050 0.060 19 0 "[ . 1 . 2]" 1
117 1 12 ILE HB 1 13 THR HB . . 5.500 7.196 6.083 7.409 1.909 7 20 [-*****+*************] 1
118 1 12 ILE MD 1 74 VAL HB . . 4.860 3.166 1.937 3.861 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE MD 1 75 SER H . . 5.500 5.099 3.868 5.460 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE MD 1 75 SER HA . . 4.810 5.175 4.298 5.556 0.746 8 8 "[ * * + 1*** .- * 2]" 1
121 1 12 ILE MD 1 78 SER QB . . 4.180 4.458 4.298 4.500 0.320 19 0 "[ . 1 . 2]" 1
122 1 12 ILE QG 1 13 THR H . . 5.340 4.003 3.908 4.344 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE QG 1 16 LEU QD . . 5.180 2.068 1.917 2.206 . 0 0 "[ . 1 . 2]" 1
124 1 12 ILE MG 1 13 THR H . . 3.870 2.084 1.966 2.278 . 0 0 "[ . 1 . 2]" 1
125 1 12 ILE MG 1 13 THR HB . . 5.500 4.412 3.293 4.655 . 0 0 "[ . 1 . 2]" 1
126 1 12 ILE MG 1 15 ALA MB . . 4.050 4.502 4.299 4.888 0.838 14 5 "[* * . * +. - 2]" 1
127 1 12 ILE MG 1 16 LEU H . . 5.020 4.810 4.614 5.023 0.003 8 0 "[ . 1 . 2]" 1
128 1 12 ILE MG 1 16 LEU QB . . 5.000 4.311 3.911 4.584 . 0 0 "[ . 1 . 2]" 1
129 1 12 ILE MG 1 16 LEU HG . . 5.500 6.065 5.720 6.354 0.854 7 15 "[- * * +* **** ******]" 1
130 1 12 ILE MG 1 71 ILE HA . . 4.400 3.913 3.102 4.494 0.094 3 0 "[ . 1 . 2]" 1
131 1 12 ILE MG 1 74 VAL HB . . 4.250 3.520 2.925 4.991 0.741 2 1 "[ + . 1 . 2]" 1
132 1 12 ILE MG 1 75 SER H . . 5.500 4.577 3.980 5.133 . 0 0 "[ . 1 . 2]" 1
133 1 12 ILE MG 1 75 SER HA . . 5.500 4.200 3.655 4.815 . 0 0 "[ . 1 . 2]" 1
134 1 13 THR H 1 13 THR HB . . 3.080 3.455 2.437 3.619 0.539 12 17 "[ ** *******+* *-****]" 1
135 1 13 THR H 1 13 THR MG . . 3.880 2.264 1.989 2.426 . 0 0 "[ . 1 . 2]" 1
136 1 13 THR H 1 71 ILE HG12 . . 5.500 5.195 4.534 5.637 0.137 13 0 "[ . 1 . 2]" 1
137 1 13 THR H 1 71 ILE MG . . 4.380 3.930 3.353 4.564 0.184 3 0 "[ . 1 . 2]" 1
138 1 13 THR HA 1 13 THR MG . . 3.320 2.433 2.217 3.201 . 0 0 "[ . 1 . 2]" 1
139 1 13 THR HA 1 16 LEU QB . . 4.770 3.120 2.628 3.458 . 0 0 "[ . 1 . 2]" 1
140 1 13 THR HA 1 71 ILE MD . . 3.790 3.442 2.749 3.797 0.007 13 0 "[ . 1 . 2]" 1
141 1 13 THR HA 1 71 ILE HG12 . . 5.060 2.511 2.027 3.020 . 0 0 "[ . 1 . 2]" 1
142 1 13 THR HA 1 71 ILE HG13 . . 4.950 4.195 3.768 4.678 . 0 0 "[ . 1 . 2]" 1
143 1 13 THR HA 1 71 ILE MG . . 4.090 2.106 1.912 2.558 . 0 0 "[ . 1 . 2]" 1
144 1 13 THR HB 1 14 SER H . . 4.100 3.457 3.202 3.992 . 0 0 "[ . 1 . 2]" 1
145 1 13 THR HB 1 16 LEU QB . . 5.340 5.063 4.791 5.248 . 0 0 "[ . 1 . 2]" 1
146 1 13 THR HB 1 71 ILE MD . . 4.670 3.771 3.179 4.246 . 0 0 "[ . 1 . 2]" 1
147 1 13 THR HB 1 71 ILE HG12 . . 5.240 4.097 3.624 4.477 . 0 0 "[ . 1 . 2]" 1
148 1 13 THR HB 1 71 ILE MG . . 4.230 2.356 1.976 2.796 . 0 0 "[ . 1 . 2]" 1
149 1 13 THR MG 1 14 SER H . . 3.520 3.524 1.921 3.856 0.336 9 0 "[ . 1 . 2]" 1
150 1 13 THR MG 1 14 SER HA . . 5.120 5.067 3.226 5.382 0.262 6 0 "[ . 1 . 2]" 1
151 1 14 SER H 1 14 SER HB2 . . 3.690 2.777 2.196 3.599 . 0 0 "[ . 1 . 2]" 1
152 1 14 SER H 1 14 SER HB3 . . 3.690 2.934 2.225 3.603 . 0 0 "[ . 1 . 2]" 1
153 1 14 SER H 1 15 ALA H . . 4.740 2.579 2.529 2.665 . 0 0 "[ . 1 . 2]" 1
154 1 14 SER HA 1 17 LYS H . . 4.400 3.475 3.223 3.742 . 0 0 "[ . 1 . 2]" 1
155 1 14 SER HA 1 17 LYS HB2 . . 4.560 2.849 2.413 3.224 . 0 0 "[ . 1 . 2]" 1
156 1 14 SER HA 1 17 LYS HB3 . . 4.560 4.322 3.403 4.570 0.010 19 0 "[ . 1 . 2]" 1
157 1 14 SER HA 1 17 LYS QG . . 4.700 3.131 2.213 4.214 . 0 0 "[ . 1 . 2]" 1
158 1 14 SER QB 1 15 ALA H . . 3.430 2.783 2.396 3.324 . 0 0 "[ . 1 . 2]" 1
159 1 14 SER QB 1 15 ALA MB . . 4.450 4.012 3.745 4.386 . 0 0 "[ . 1 . 2]" 1
160 1 14 SER QB 1 17 LYS QB . . 5.180 4.259 3.789 4.698 . 0 0 "[ . 1 . 2]" 1
161 1 15 ALA H 1 15 ALA MB . . 3.300 2.127 2.029 2.239 . 0 0 "[ . 1 . 2]" 1
162 1 15 ALA H 1 16 LEU H . . 4.230 2.738 2.558 2.850 . 0 0 "[ . 1 . 2]" 1
163 1 15 ALA HA 1 18 LYS H . . 3.980 3.610 3.465 3.830 . 0 0 "[ . 1 . 2]" 1
164 1 15 ALA HA 1 18 LYS QB . . 3.950 3.097 2.766 4.031 0.081 10 0 "[ . 1 . 2]" 1
165 1 15 ALA HA 1 18 LYS QD . . 4.770 3.434 1.981 4.405 . 0 0 "[ . 1 . 2]" 1
166 1 15 ALA MB 1 16 LEU H . . 3.770 2.578 2.316 2.872 . 0 0 "[ . 1 . 2]" 1
167 1 15 ALA MB 1 16 LEU HA . . 4.380 3.749 3.669 3.833 . 0 0 "[ . 1 . 2]" 1
168 1 15 ALA MB 1 16 LEU QD . . 3.940 3.032 2.828 3.334 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA MB 1 18 LYS H . . 5.080 4.627 4.455 4.873 . 0 0 "[ . 1 . 2]" 1
170 1 15 ALA MB 1 19 LEU H . . 5.400 4.659 4.439 4.873 . 0 0 "[ . 1 . 2]" 1
171 1 15 ALA MB 1 19 LEU QD . . 4.170 3.160 2.687 3.529 . 0 0 "[ . 1 . 2]" 1
172 1 16 LEU H 1 16 LEU HB2 . . 3.620 2.062 2.040 2.086 . 0 0 "[ . 1 . 2]" 1
173 1 16 LEU H 1 16 LEU QB . . 2.860 2.043 2.019 2.064 . 0 0 "[ . 1 . 2]" 1
174 1 16 LEU H 1 16 LEU HB3 . . 3.620 3.314 3.224 3.386 . 0 0 "[ . 1 . 2]" 1
175 1 16 LEU H 1 16 LEU MD1 . . 4.190 2.690 2.479 3.076 . 0 0 "[ . 1 . 2]" 1
176 1 16 LEU H 1 16 LEU QD . . 3.650 2.647 2.452 2.985 . 0 0 "[ . 1 . 2]" 1
177 1 16 LEU H 1 16 LEU MD2 . . 4.190 3.974 3.863 4.034 . 0 0 "[ . 1 . 2]" 1
178 1 16 LEU H 1 16 LEU HG . . 4.710 4.351 4.234 4.476 . 0 0 "[ . 1 . 2]" 1
179 1 16 LEU H 1 17 LYS H . . 3.790 2.692 2.505 2.842 . 0 0 "[ . 1 . 2]" 1
180 1 16 LEU H 1 19 LEU QD . . 5.410 4.058 3.781 4.323 . 0 0 "[ . 1 . 2]" 1
181 1 16 LEU HA 1 16 LEU MD1 . . 4.010 2.240 1.997 2.389 . 0 0 "[ . 1 . 2]" 1
182 1 16 LEU HA 1 16 LEU QD . . 2.980 2.224 1.990 2.364 . 0 0 "[ . 1 . 2]" 1
183 1 16 LEU HA 1 16 LEU MD2 . . 4.010 3.778 3.772 3.784 . 0 0 "[ . 1 . 2]" 1
184 1 16 LEU HA 1 19 LEU H . . 4.020 3.179 3.131 3.273 . 0 0 "[ . 1 . 2]" 1
185 1 16 LEU HA 1 19 LEU QB . . 3.370 2.229 1.992 2.336 . 0 0 "[ . 1 . 2]" 1
186 1 16 LEU HA 1 19 LEU QD . . 3.000 2.196 1.974 2.485 . 0 0 "[ . 1 . 2]" 1
187 1 16 LEU HA 1 20 VAL H . . 4.740 4.049 3.779 4.205 . 0 0 "[ . 1 . 2]" 1
188 1 16 LEU HA 1 33 PHE QE . . 5.280 2.888 2.604 3.884 . 0 0 "[ . 1 . 2]" 1
189 1 16 LEU HA 1 33 PHE HZ . . 4.100 4.078 3.723 4.109 0.009 9 0 "[ . 1 . 2]" 1
190 1 16 LEU HA 1 36 ILE MD . . 5.500 6.079 5.852 6.428 0.928 7 15 "[* -**+ ******* ***]" 1
191 1 16 LEU QB 1 16 LEU QD . . 2.660 1.929 1.912 1.944 . 0 0 "[ . 1 . 2]" 1
192 1 16 LEU QB 1 17 LYS H . . 3.430 2.622 2.545 2.682 . 0 0 "[ . 1 . 2]" 1
193 1 16 LEU QB 1 33 PHE HZ . . 4.830 3.753 3.534 3.958 . 0 0 "[ . 1 . 2]" 1
194 1 16 LEU QB 1 45 ALA HA . . 4.800 3.014 2.718 3.342 . 0 0 "[ . 1 . 2]" 1
195 1 16 LEU QB 1 71 ILE HA . . 5.180 3.711 3.384 4.002 . 0 0 "[ . 1 . 2]" 1
196 1 16 LEU QB 1 71 ILE MD . . 4.540 2.830 2.585 3.114 . 0 0 "[ . 1 . 2]" 1
197 1 16 LEU QB 1 71 ILE HG12 . . 4.350 2.244 1.967 2.519 . 0 0 "[ . 1 . 2]" 1
198 1 16 LEU QB 1 71 ILE HG13 . . 4.880 2.543 2.228 2.796 . 0 0 "[ . 1 . 2]" 1
199 1 16 LEU HB2 1 16 LEU MD1 . . 3.460 2.320 2.252 2.419 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU HB2 1 16 LEU MD2 . . 3.460 2.311 2.255 2.381 . 0 0 "[ . 1 . 2]" 1
201 1 16 LEU HB3 1 16 LEU MD1 . . 3.460 3.186 3.180 3.196 . 0 0 "[ . 1 . 2]" 1
202 1 16 LEU HB3 1 16 LEU MD2 . . 3.460 2.386 2.325 2.420 . 0 0 "[ . 1 . 2]" 1
203 1 16 LEU QD 1 17 LYS H . . 4.460 4.034 4.001 4.059 . 0 0 "[ . 1 . 2]" 1
204 1 16 LEU QD 1 19 LEU H . . 5.080 4.676 4.613 4.777 . 0 0 "[ . 1 . 2]" 1
205 1 16 LEU QD 1 19 LEU QD . . 3.030 2.115 1.909 2.396 . 0 0 "[ . 1 . 2]" 1
206 1 16 LEU QD 1 33 PHE QD . . 4.570 4.152 3.726 4.572 0.002 8 0 "[ . 1 . 2]" 1
207 1 16 LEU QD 1 33 PHE QE . . 3.740 2.816 2.477 3.564 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU QD 1 33 PHE HZ . . 3.760 3.413 3.189 3.543 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU QD 1 45 ALA HA . . 3.940 2.765 2.396 2.990 . 0 0 "[ . 1 . 2]" 1
210 1 16 LEU QD 1 70 CYS H . . 4.270 3.645 3.368 3.899 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU QD 1 70 CYS HB2 . . 3.640 2.359 2.049 2.818 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU QD 1 70 CYS HB3 . . 3.630 2.017 1.881 2.405 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU QD 1 71 ILE H . . 4.190 2.518 2.369 2.736 . 0 0 "[ . 1 . 2]" 1
214 1 16 LEU QD 1 71 ILE HA . . 3.350 2.012 1.896 2.192 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU QD 1 71 ILE HG12 . . 3.630 2.418 2.133 2.778 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU QD 1 71 ILE HG13 . . 3.700 2.056 1.896 2.284 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU QD 1 72 LYS H . . 5.110 4.343 4.174 4.495 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU QD 1 74 VAL HB . . 4.320 3.328 2.969 3.569 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU QD 1 74 VAL QG . . 2.850 2.140 1.903 2.398 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU MD1 1 17 LYS H . . 5.090 4.456 4.374 4.542 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU MD1 1 33 PHE QD . . 5.500 4.307 3.801 4.911 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU MD1 1 33 PHE QE . . 4.610 2.901 2.504 4.063 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU MD1 1 33 PHE HZ . . 4.490 4.141 3.716 4.306 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU MD1 1 45 ALA HA . . 4.600 4.546 4.199 4.619 0.019 17 0 "[ . 1 . 2]" 1
225 1 16 LEU MD1 1 70 CYS HB2 . . 4.690 4.678 4.413 4.972 0.282 9 0 "[ . 1 . 2]" 1
226 1 16 LEU MD1 1 70 CYS HB3 . . 4.430 3.881 3.679 4.245 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU MD1 1 71 ILE H . . 5.500 5.227 5.078 5.496 . 0 0 "[ . 1 . 2]" 1
228 1 16 LEU MD1 1 74 VAL HB . . 5.330 4.399 3.996 4.701 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU MD2 1 17 LYS H . . 5.090 4.612 4.554 4.678 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU MD2 1 33 PHE QD . . 5.500 5.490 5.356 5.526 0.026 10 0 "[ . 1 . 2]" 1
231 1 16 LEU MD2 1 33 PHE QE . . 4.610 3.949 3.871 4.052 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU MD2 1 33 PHE HZ . . 4.490 3.640 3.420 3.826 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU MD2 1 45 ALA HA . . 4.600 2.790 2.407 3.030 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU MD2 1 70 CYS HB2 . . 4.690 2.367 2.052 2.834 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU MD2 1 70 CYS HB3 . . 4.430 2.024 1.886 2.419 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU MD2 1 71 ILE H . . 5.500 2.523 2.373 2.743 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU MD2 1 74 VAL HB . . 5.330 3.448 3.035 3.721 . 0 0 "[ . 1 . 2]" 1
238 1 16 LEU HG 1 33 PHE QE . . 4.920 2.536 2.380 3.529 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU HG 1 33 PHE HZ . . 3.400 2.710 2.291 2.873 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU HG 1 45 ALA HA . . 5.440 3.022 2.617 3.140 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU HG 1 45 ALA MB . . 4.190 3.275 2.340 3.568 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU HG 1 74 VAL QG . . 5.500 4.306 3.980 4.581 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS H 1 17 LYS HB2 . . 3.740 2.338 2.060 2.644 . 0 0 "[ . 1 . 2]" 1
244 1 17 LYS H 1 17 LYS QB . . 3.060 2.304 2.038 2.579 . 0 0 "[ . 1 . 2]" 1
245 1 17 LYS H 1 17 LYS HB3 . . 3.740 3.524 3.251 3.590 . 0 0 "[ . 1 . 2]" 1
246 1 17 LYS H 1 17 LYS QD . . 4.420 3.908 2.777 4.319 . 0 0 "[ . 1 . 2]" 1
247 1 17 LYS H 1 17 LYS QG . . 3.780 2.608 1.963 3.821 0.041 9 0 "[ . 1 . 2]" 1
248 1 17 LYS H 1 18 LYS H . . 3.560 2.747 2.734 2.785 . 0 0 "[ . 1 . 2]" 1
249 1 17 LYS H 1 19 LEU QD . . 5.440 5.093 4.947 5.318 . 0 0 "[ . 1 . 2]" 1
250 1 17 LYS H 1 20 VAL MG1 . . 5.440 4.566 4.388 4.947 . 0 0 "[ . 1 . 2]" 1
251 1 17 LYS H 1 45 ALA MB . . 4.840 3.111 3.006 3.365 . 0 0 "[ . 1 . 2]" 1
252 1 17 LYS H 1 71 ILE MD . . 4.280 3.365 3.007 3.748 . 0 0 "[ . 1 . 2]" 1
253 1 17 LYS H 1 71 ILE MG . . 5.500 5.048 4.470 5.403 . 0 0 "[ . 1 . 2]" 1
254 1 17 LYS HA 1 17 LYS HD2 . . 4.370 3.010 2.214 3.345 . 0 0 "[ . 1 . 2]" 1
255 1 17 LYS HA 1 17 LYS QD . . 3.620 2.542 2.125 3.051 . 0 0 "[ . 1 . 2]" 1
256 1 17 LYS HA 1 17 LYS HD3 . . 4.370 2.904 2.193 4.235 . 0 0 "[ . 1 . 2]" 1
257 1 17 LYS HA 1 17 LYS QG . . 3.870 2.508 2.144 2.770 . 0 0 "[ . 1 . 2]" 1
258 1 17 LYS HA 1 20 VAL H . . 4.250 3.985 3.848 4.140 . 0 0 "[ . 1 . 2]" 1
259 1 17 LYS HA 1 20 VAL MG1 . . 3.460 2.509 2.327 2.841 . 0 0 "[ . 1 . 2]" 1
260 1 17 LYS HA 1 20 VAL MG2 . . 5.240 4.991 4.852 5.206 . 0 0 "[ . 1 . 2]" 1
261 1 17 LYS HA 1 21 ASP H . . 5.300 4.749 4.435 5.158 . 0 0 "[ . 1 . 2]" 1
262 1 17 LYS HA 1 45 ALA H . . 5.170 4.737 4.567 5.177 0.007 8 0 "[ . 1 . 2]" 1
263 1 17 LYS HA 1 45 ALA MB . . 3.280 2.138 1.976 2.578 . 0 0 "[ . 1 . 2]" 1
264 1 17 LYS HA 1 71 ILE MD . . 5.160 3.500 2.697 3.848 . 0 0 "[ . 1 . 2]" 1
265 1 17 LYS QB 1 17 LYS QD . . 2.980 2.098 1.944 2.321 . 0 0 "[ . 1 . 2]" 1
266 1 17 LYS QB 1 17 LYS QE . . 4.410 3.377 1.960 3.752 . 0 0 "[ . 1 . 2]" 1
267 1 17 LYS QB 1 18 LYS H . . 3.090 2.730 2.605 2.830 . 0 0 "[ . 1 . 2]" 1
268 1 17 LYS HB2 1 17 LYS HD2 . . 4.090 3.430 3.077 3.640 . 0 0 "[ . 1 . 2]" 1
269 1 17 LYS HB2 1 17 LYS HD3 . . 4.090 3.803 2.076 4.121 0.031 19 0 "[ . 1 . 2]" 1
270 1 17 LYS HB3 1 17 LYS HD2 . . 4.090 2.347 1.976 3.991 . 0 0 "[ . 1 . 2]" 1
271 1 17 LYS HB3 1 17 LYS HD3 . . 4.090 3.262 2.942 3.576 . 0 0 "[ . 1 . 2]" 1
272 1 17 LYS QD 1 20 VAL MG1 . . 4.730 3.645 3.188 4.479 . 0 0 "[ . 1 . 2]" 1
273 1 17 LYS QE 1 71 ILE MD . . 4.580 3.001 2.155 3.727 . 0 0 "[ . 1 . 2]" 1
274 1 17 LYS QE 1 71 ILE MG . . 5.270 4.834 3.639 5.508 0.238 16 0 "[ . 1 . 2]" 1
275 1 17 LYS QG 1 46 ASP H . . 5.120 4.460 3.659 5.127 0.007 3 0 "[ . 1 . 2]" 1
276 1 17 LYS QG 1 71 ILE MD . . 3.540 2.197 1.876 3.507 . 0 0 "[ . 1 . 2]" 1
277 1 18 LYS H 1 18 LYS QB . . 2.760 2.297 2.093 2.608 . 0 0 "[ . 1 . 2]" 1
278 1 18 LYS H 1 18 LYS QD . . 4.380 3.797 2.419 4.450 0.070 13 0 "[ . 1 . 2]" 1
279 1 18 LYS H 1 18 LYS QE . . 5.500 4.162 2.725 4.967 . 0 0 "[ . 1 . 2]" 1
280 1 18 LYS H 1 18 LYS QG . . 3.590 2.752 1.955 3.557 . 0 0 "[ . 1 . 2]" 1
281 1 18 LYS HA 1 18 LYS QD . . 4.370 3.804 2.109 4.325 . 0 0 "[ . 1 . 2]" 1
282 1 18 LYS HA 1 18 LYS QG . . 3.610 2.491 2.101 3.341 . 0 0 "[ . 1 . 2]" 1
283 1 18 LYS HA 1 20 VAL MG1 . . 4.880 4.065 3.779 4.227 . 0 0 "[ . 1 . 2]" 1
284 1 18 LYS HA 1 21 ASP H . . 3.890 3.402 3.308 3.472 . 0 0 "[ . 1 . 2]" 1
285 1 18 LYS HA 1 21 ASP HB2 . . 4.020 3.140 2.906 3.525 . 0 0 "[ . 1 . 2]" 1
286 1 18 LYS HA 1 21 ASP QB . . 3.520 2.579 2.312 2.753 . 0 0 "[ . 1 . 2]" 1
287 1 18 LYS HA 1 21 ASP HB3 . . 4.020 2.769 2.344 3.166 . 0 0 "[ . 1 . 2]" 1
288 1 18 LYS QB 1 18 LYS QD . . 3.460 2.169 1.971 2.677 . 0 0 "[ . 1 . 2]" 1
289 1 19 LEU H 1 19 LEU HB2 . . 3.550 2.153 2.111 2.204 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU H 1 19 LEU QB . . 2.910 2.133 2.093 2.182 . 0 0 "[ . 1 . 2]" 1
291 1 19 LEU H 1 19 LEU HB3 . . 3.550 3.471 3.434 3.507 . 0 0 "[ . 1 . 2]" 1
292 1 19 LEU H 1 19 LEU MD1 . . 3.950 3.563 3.452 3.685 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU H 1 19 LEU MD2 . . 3.950 4.086 3.901 4.166 0.216 8 0 "[ . 1 . 2]" 1
294 1 19 LEU H 1 19 LEU HG . . 4.700 3.029 2.848 3.159 . 0 0 "[ . 1 . 2]" 1
295 1 19 LEU H 1 20 VAL H . . 3.190 2.839 2.766 2.907 . 0 0 "[ . 1 . 2]" 1
296 1 19 LEU H 1 29 VAL QG . . 5.120 4.877 4.757 5.127 0.007 8 0 "[ . 1 . 2]" 1
297 1 19 LEU HA 1 19 LEU QD . . 3.100 2.294 2.116 2.426 . 0 0 "[ . 1 . 2]" 1
298 1 19 LEU HA 1 19 LEU HG . . 3.970 2.550 2.471 2.696 . 0 0 "[ . 1 . 2]" 1
299 1 19 LEU HA 1 22 LYS H . . 3.790 3.361 3.201 3.496 . 0 0 "[ . 1 . 2]" 1
300 1 19 LEU HA 1 23 TYR H . . 5.360 4.869 4.453 5.035 . 0 0 "[ . 1 . 2]" 1
301 1 19 LEU HA 1 29 VAL MG1 . . 4.540 2.801 2.642 3.184 . 0 0 "[ . 1 . 2]" 1
302 1 19 LEU HA 1 29 VAL QG . . 3.620 2.749 2.600 3.088 . 0 0 "[ . 1 . 2]" 1
303 1 19 LEU HA 1 29 VAL MG2 . . 4.540 4.004 3.733 4.179 . 0 0 "[ . 1 . 2]" 1
304 1 19 LEU QB 1 19 LEU QD . . 2.690 1.834 1.794 1.909 . 0 0 "[ . 1 . 2]" 1
305 1 19 LEU QB 1 29 VAL QG . . 3.640 3.045 2.919 3.214 . 0 0 "[ . 1 . 2]" 1
306 1 19 LEU QB 1 33 PHE QD . . 4.070 2.491 2.309 2.691 . 0 0 "[ . 1 . 2]" 1
307 1 19 LEU QB 1 33 PHE QE . . 3.820 2.178 1.960 2.338 . 0 0 "[ . 1 . 2]" 1
308 1 19 LEU QB 1 36 ILE MD . . 5.340 5.079 4.901 5.257 . 0 0 "[ . 1 . 2]" 1
309 1 19 LEU HB2 1 19 LEU MD1 . . 3.610 2.102 2.034 2.299 . 0 0 "[ . 1 . 2]" 1
310 1 19 LEU HB2 1 19 LEU MD2 . . 3.610 3.161 3.135 3.183 . 0 0 "[ . 1 . 2]" 1
311 1 19 LEU HB2 1 20 VAL H . . 4.220 2.629 2.541 2.706 . 0 0 "[ . 1 . 2]" 1
312 1 19 LEU HB3 1 19 LEU MD1 . . 3.610 2.543 2.427 2.601 . 0 0 "[ . 1 . 2]" 1
313 1 19 LEU HB3 1 19 LEU MD2 . . 3.610 2.162 2.098 2.241 . 0 0 "[ . 1 . 2]" 1
314 1 19 LEU HB3 1 20 VAL H . . 4.220 2.932 2.826 3.030 . 0 0 "[ . 1 . 2]" 1
315 1 19 LEU QD 1 22 LYS H . . 4.950 4.780 4.596 4.891 . 0 0 "[ . 1 . 2]" 1
316 1 19 LEU QD 1 29 VAL HA . . 4.300 3.248 3.130 3.342 . 0 0 "[ . 1 . 2]" 1
317 1 19 LEU QD 1 29 VAL QG . . 2.870 1.683 1.664 1.714 . 0 0 "[ . 1 . 2]" 1
318 1 19 LEU QD 1 33 PHE HB2 . . 4.640 3.194 2.823 3.575 . 0 0 "[ . 1 . 2]" 1
319 1 19 LEU QD 1 33 PHE HB3 . . 5.440 4.520 4.187 4.846 . 0 0 "[ . 1 . 2]" 1
320 1 19 LEU QD 1 33 PHE QD . . 3.610 2.170 1.944 2.655 . 0 0 "[ . 1 . 2]" 1
321 1 19 LEU QD 1 33 PHE QE . . 3.780 2.098 1.941 3.197 . 0 0 "[ . 1 . 2]" 1
322 1 19 LEU QD 1 33 PHE HZ . . 4.000 4.067 3.950 4.194 0.194 2 0 "[ . 1 . 2]" 1
323 1 19 LEU MD1 1 29 VAL HA . . 5.290 5.287 5.244 5.304 0.014 17 0 "[ . 1 . 2]" 1
324 1 19 LEU MD1 1 33 PHE HB2 . . 5.400 4.540 4.279 4.979 . 0 0 "[ . 1 . 2]" 1
325 1 19 LEU MD1 1 33 PHE QD . . 4.130 2.569 2.026 4.023 . 0 0 "[ . 1 . 2]" 1
326 1 19 LEU MD1 1 33 PHE QE . . 4.460 2.130 1.947 3.628 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU MD1 1 33 PHE HZ . . 5.500 4.202 4.060 4.396 . 0 0 "[ . 1 . 2]" 1
328 1 19 LEU MD2 1 29 VAL HA . . 5.290 3.278 3.153 3.379 . 0 0 "[ . 1 . 2]" 1
329 1 19 LEU MD2 1 33 PHE HB2 . . 5.400 3.266 2.861 3.664 . 0 0 "[ . 1 . 2]" 1
330 1 19 LEU MD2 1 33 PHE QD . . 4.130 2.402 2.176 2.693 . 0 0 "[ . 1 . 2]" 1
331 1 19 LEU MD2 1 33 PHE QE . . 4.460 3.623 3.496 3.731 . 0 0 "[ . 1 . 2]" 1
332 1 19 LEU MD2 1 33 PHE HZ . . 5.500 5.435 5.199 5.512 0.012 14 0 "[ . 1 . 2]" 1
333 1 19 LEU HG 1 29 VAL QG . . 4.160 3.636 3.513 3.752 . 0 0 "[ . 1 . 2]" 1
334 1 19 LEU HG 1 33 PHE QE . . 5.500 4.331 4.169 4.902 . 0 0 "[ . 1 . 2]" 1
335 1 20 VAL H 1 20 VAL HB . . 2.850 2.453 2.382 2.527 . 0 0 "[ . 1 . 2]" 1
336 1 20 VAL H 1 20 VAL MG1 . . 3.350 2.233 2.096 2.421 . 0 0 "[ . 1 . 2]" 1
337 1 20 VAL H 1 20 VAL MG2 . . 3.920 3.749 3.728 3.762 . 0 0 "[ . 1 . 2]" 1
338 1 20 VAL H 1 21 ASP HB2 . . 5.500 4.862 4.722 5.219 . 0 0 "[ . 1 . 2]" 1
339 1 20 VAL H 1 21 ASP HB3 . . 5.500 5.158 4.740 5.373 . 0 0 "[ . 1 . 2]" 1
340 1 20 VAL H 1 33 PHE QE . . 4.560 3.658 2.419 3.948 . 0 0 "[ . 1 . 2]" 1
341 1 20 VAL H 1 33 PHE HZ . . 4.000 3.825 3.652 3.943 . 0 0 "[ . 1 . 2]" 1
342 1 20 VAL H 1 45 ALA MB . . 4.620 2.728 2.629 3.023 . 0 0 "[ . 1 . 2]" 1
343 1 20 VAL HA 1 20 VAL MG1 . . 3.540 3.198 3.187 3.203 . 0 0 "[ . 1 . 2]" 1
344 1 20 VAL HA 1 20 VAL MG2 . . 3.460 2.223 2.177 2.302 . 0 0 "[ . 1 . 2]" 1
345 1 20 VAL HA 1 22 LYS H . . 4.340 4.398 4.096 4.597 0.257 15 0 "[ . 1 . 2]" 1
346 1 20 VAL HA 1 23 TYR H . . 3.870 3.783 3.649 3.871 0.001 13 0 "[ . 1 . 2]" 1
347 1 20 VAL HA 1 23 TYR QB . . 3.770 2.519 2.318 2.605 . 0 0 "[ . 1 . 2]" 1
348 1 20 VAL HA 1 23 TYR QD . . 4.990 3.558 3.271 3.845 . 0 0 "[ . 1 . 2]" 1
349 1 20 VAL HA 1 29 VAL QG . . 4.890 4.295 4.105 4.485 . 0 0 "[ . 1 . 2]" 1
350 1 20 VAL HA 1 33 PHE QE . . 4.470 3.929 2.637 4.165 . 0 0 "[ . 1 . 2]" 1
351 1 20 VAL HA 1 33 PHE HZ . . 4.670 4.501 4.337 4.730 0.060 17 0 "[ . 1 . 2]" 1
352 1 20 VAL HA 1 45 ALA H . . 5.150 4.549 4.355 4.701 . 0 0 "[ . 1 . 2]" 1
353 1 20 VAL HB 1 21 ASP H . . 4.020 3.995 3.957 4.039 0.019 19 0 "[ . 1 . 2]" 1
354 1 20 VAL HB 1 33 PHE QE . . 4.300 3.272 2.816 3.533 . 0 0 "[ . 1 . 2]" 1
355 1 20 VAL HB 1 33 PHE HZ . . 3.700 3.039 2.754 3.244 . 0 0 "[ . 1 . 2]" 1
356 1 20 VAL HB 1 45 ALA H . . 4.780 2.289 2.094 2.528 . 0 0 "[ . 1 . 2]" 1
357 1 20 VAL HB 1 45 ALA HA . . 5.500 3.635 3.432 4.194 . 0 0 "[ . 1 . 2]" 1
358 1 20 VAL HB 1 45 ALA MB . . 4.050 2.064 1.968 2.238 . 0 0 "[ . 1 . 2]" 1
359 1 20 VAL HB 1 46 ASP H . . 5.430 4.576 4.429 4.666 . 0 0 "[ . 1 . 2]" 1
360 1 20 VAL MG1 1 21 ASP H . . 3.350 2.227 2.009 2.310 . 0 0 "[ . 1 . 2]" 1
361 1 20 VAL MG1 1 21 ASP HA . . 4.130 3.212 3.145 3.337 . 0 0 "[ . 1 . 2]" 1
362 1 20 VAL MG1 1 21 ASP QB . . 4.340 2.887 2.822 2.971 . 0 0 "[ . 1 . 2]" 1
363 1 20 VAL MG1 1 23 TYR H . . 5.040 4.932 4.790 5.000 . 0 0 "[ . 1 . 2]" 1
364 1 20 VAL MG1 1 23 TYR QB . . 5.250 4.661 4.547 4.734 . 0 0 "[ . 1 . 2]" 1
365 1 20 VAL MG1 1 33 PHE QE . . 4.590 4.407 4.011 4.590 0.000 6 0 "[ . 1 . 2]" 1
366 1 20 VAL MG1 1 44 GLY HA2 . . 4.670 4.324 4.095 4.751 0.081 8 0 "[ . 1 . 2]" 1
367 1 20 VAL MG1 1 44 GLY HA3 . . 5.500 4.462 4.170 5.012 . 0 0 "[ . 1 . 2]" 1
368 1 20 VAL MG1 1 45 ALA H . . 4.030 2.656 2.416 3.241 . 0 0 "[ . 1 . 2]" 1
369 1 20 VAL MG1 1 45 ALA MB . . 3.310 1.946 1.824 2.209 . 0 0 "[ . 1 . 2]" 1
370 1 20 VAL MG1 1 46 ASP H . . 4.600 3.459 3.267 3.647 . 0 0 "[ . 1 . 2]" 1
371 1 20 VAL MG1 1 47 SER H . . 5.100 4.531 4.274 4.789 . 0 0 "[ . 1 . 2]" 1
372 1 20 VAL MG1 1 50 ASP H . . 5.280 5.129 4.997 5.279 . 0 0 "[ . 1 . 2]" 1
373 1 20 VAL MG1 1 50 ASP HA . . 4.570 4.258 3.981 4.400 . 0 0 "[ . 1 . 2]" 1
374 1 20 VAL MG1 1 50 ASP HB2 . . 4.110 3.314 3.169 3.435 . 0 0 "[ . 1 . 2]" 1
375 1 20 VAL MG1 1 50 ASP QB . . 3.440 2.285 2.054 2.403 . 0 0 "[ . 1 . 2]" 1
376 1 20 VAL MG1 1 50 ASP HB3 . . 4.110 2.330 2.074 2.468 . 0 0 "[ . 1 . 2]" 1
377 1 20 VAL MG1 1 51 TYR H . . 5.500 5.483 5.353 5.516 0.016 5 0 "[ . 1 . 2]" 1
378 1 20 VAL MG2 1 21 ASP H . . 4.600 3.877 3.733 3.958 . 0 0 "[ . 1 . 2]" 1
379 1 20 VAL MG2 1 21 ASP HA . . 5.500 3.877 3.688 4.003 . 0 0 "[ . 1 . 2]" 1
380 1 20 VAL MG2 1 23 TYR H . . 5.160 4.656 4.564 4.720 . 0 0 "[ . 1 . 2]" 1
381 1 20 VAL MG2 1 23 TYR QB . . 5.140 3.408 3.358 3.477 . 0 0 "[ . 1 . 2]" 1
382 1 20 VAL MG2 1 23 TYR QD . . 4.630 4.250 3.932 4.484 . 0 0 "[ . 1 . 2]" 1
383 1 20 VAL MG2 1 33 PHE QD . . 5.040 4.281 4.143 4.547 . 0 0 "[ . 1 . 2]" 1
384 1 20 VAL MG2 1 33 PHE QE . . 4.060 3.425 3.269 3.647 . 0 0 "[ . 1 . 2]" 1
385 1 20 VAL MG2 1 33 PHE HZ . . 4.120 4.190 3.972 4.336 0.216 9 0 "[ . 1 . 2]" 1
386 1 20 VAL MG2 1 44 GLY H . . 4.500 4.153 3.861 4.514 0.014 8 0 "[ . 1 . 2]" 1
387 1 20 VAL MG2 1 44 GLY HA2 . . 4.340 2.330 2.083 2.686 . 0 0 "[ . 1 . 2]" 1
388 1 20 VAL MG2 1 44 GLY HA3 . . 3.980 2.711 2.383 3.212 . 0 0 "[ . 1 . 2]" 1
389 1 20 VAL MG2 1 45 ALA H . . 3.930 2.128 1.977 2.458 . 0 0 "[ . 1 . 2]" 1
390 1 20 VAL MG2 1 45 ALA HA . . 5.500 4.468 4.332 4.796 . 0 0 "[ . 1 . 2]" 1
391 1 20 VAL MG2 1 45 ALA MB . . 3.540 3.192 3.013 3.363 . 0 0 "[ . 1 . 2]" 1
392 1 20 VAL MG2 1 46 ASP H . . 4.790 4.255 4.107 4.429 . 0 0 "[ . 1 . 2]" 1
393 1 20 VAL MG2 1 47 SER H . . 5.200 4.382 4.266 4.592 . 0 0 "[ . 1 . 2]" 1
394 1 20 VAL MG2 1 50 ASP H . . 4.970 4.138 4.055 4.234 . 0 0 "[ . 1 . 2]" 1
395 1 20 VAL MG2 1 50 ASP HB2 . . 4.390 2.029 1.927 2.252 . 0 0 "[ . 1 . 2]" 1
396 1 20 VAL MG2 1 50 ASP QB . . 3.810 1.759 1.734 1.813 . 0 0 "[ . 1 . 2]" 1
397 1 20 VAL MG2 1 50 ASP HB3 . . 4.390 1.933 1.895 2.033 . 0 0 "[ . 1 . 2]" 1
398 1 20 VAL MG2 1 51 TYR H . . 4.980 3.802 3.699 3.880 . 0 0 "[ . 1 . 2]" 1
399 1 20 VAL MG2 1 51 TYR QD . . 4.240 3.238 3.159 3.307 . 0 0 "[ . 1 . 2]" 1
400 1 21 ASP H 1 21 ASP HB2 . . 3.450 2.477 2.347 2.830 . 0 0 "[ . 1 . 2]" 1
401 1 21 ASP H 1 21 ASP QB . . 2.830 2.267 2.231 2.289 . 0 0 "[ . 1 . 2]" 1
402 1 21 ASP H 1 21 ASP HB3 . . 3.450 2.672 2.336 2.817 . 0 0 "[ . 1 . 2]" 1
403 1 21 ASP H 1 22 LYS H . . 3.500 2.429 2.385 2.512 . 0 0 "[ . 1 . 2]" 1
404 1 21 ASP H 1 22 LYS QG . . 4.490 4.219 4.001 4.427 . 0 0 "[ . 1 . 2]" 1
405 1 21 ASP HB2 1 22 LYS H . . 4.140 3.804 3.636 4.100 . 0 0 "[ . 1 . 2]" 1
406 1 21 ASP HB3 1 22 LYS H . . 4.140 2.736 2.544 2.961 . 0 0 "[ . 1 . 2]" 1
407 1 22 LYS H 1 22 LYS QB . . 3.010 2.484 2.390 2.556 . 0 0 "[ . 1 . 2]" 1
408 1 22 LYS H 1 22 LYS QD . . 4.350 3.452 3.266 3.494 . 0 0 "[ . 1 . 2]" 1
409 1 22 LYS H 1 22 LYS QE . . 5.420 4.540 3.853 4.825 . 0 0 "[ . 1 . 2]" 1
410 1 22 LYS H 1 22 LYS QG . . 3.290 2.503 2.364 2.717 . 0 0 "[ . 1 . 2]" 1
411 1 22 LYS H 1 23 TYR H . . 2.710 2.645 2.521 2.717 0.007 15 0 "[ . 1 . 2]" 1
412 1 22 LYS H 1 23 TYR HA . . 4.740 4.631 4.436 4.810 0.070 19 0 "[ . 1 . 2]" 1
413 1 22 LYS H 1 23 TYR QB . . 4.230 4.226 4.127 4.302 0.072 13 0 "[ . 1 . 2]" 1
414 1 22 LYS H 1 24 ARG H . . 5.150 5.072 4.880 5.152 0.002 14 0 "[ . 1 . 2]" 1
415 1 22 LYS H 1 29 VAL QG . . 4.090 4.054 3.797 4.205 0.115 15 0 "[ . 1 . 2]" 1
416 1 22 LYS HA 1 22 LYS QD . . 4.250 3.759 2.110 4.246 . 0 0 "[ . 1 . 2]" 1
417 1 22 LYS HA 1 22 LYS QE . . 5.320 4.483 4.054 5.072 . 0 0 "[ . 1 . 2]" 1
418 1 22 LYS HA 1 22 LYS HG2 . . 4.100 2.925 2.824 3.141 . 0 0 "[ . 1 . 2]" 1
419 1 22 LYS HA 1 22 LYS HG3 . . 4.100 3.006 2.744 3.775 . 0 0 "[ . 1 . 2]" 1
420 1 22 LYS HA 1 24 ARG H . . 5.360 3.797 3.743 3.881 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS HA 1 25 ASN H . . 4.190 3.286 2.892 3.358 . 0 0 "[ . 1 . 2]" 1
422 1 22 LYS HA 1 25 ASN HD21 . . 4.890 2.539 1.952 3.073 . 0 0 "[ . 1 . 2]" 1
423 1 22 LYS HA 1 25 ASN QD . . 4.180 2.442 1.932 2.901 . 0 0 "[ . 1 . 2]" 1
424 1 22 LYS HA 1 25 ASN HD22 . . 4.890 3.263 3.012 3.559 . 0 0 "[ . 1 . 2]" 1
425 1 22 LYS HA 1 26 ASP H . . 5.050 4.437 4.154 4.630 . 0 0 "[ . 1 . 2]" 1
426 1 22 LYS HA 1 29 VAL MG1 . . 5.500 5.042 4.773 5.193 . 0 0 "[ . 1 . 2]" 1
427 1 22 LYS HA 1 29 VAL MG2 . . 5.500 5.208 4.677 5.429 . 0 0 "[ . 1 . 2]" 1
428 1 22 LYS QB 1 23 TYR H . . 4.220 3.662 3.391 3.756 . 0 0 "[ . 1 . 2]" 1
429 1 22 LYS QB 1 26 ASP H . . 4.900 3.663 3.509 3.767 . 0 0 "[ . 1 . 2]" 1
430 1 22 LYS QB 1 26 ASP HB2 . . 4.750 3.567 3.285 3.784 . 0 0 "[ . 1 . 2]" 1
431 1 22 LYS QB 1 26 ASP QB . . 4.180 3.497 3.234 3.711 . 0 0 "[ . 1 . 2]" 1
432 1 22 LYS QB 1 26 ASP HB3 . . 4.750 5.062 4.832 5.356 0.606 8 2 "[ . + 1 -. 2]" 1
433 1 22 LYS QB 1 29 VAL MG1 . . 3.730 3.212 2.737 3.486 . 0 0 "[ . 1 . 2]" 1
434 1 22 LYS QB 1 29 VAL QG . . 3.540 2.795 2.354 2.984 . 0 0 "[ . 1 . 2]" 1
435 1 22 LYS QB 1 29 VAL MG2 . . 3.730 3.078 2.538 3.294 . 0 0 "[ . 1 . 2]" 1
436 1 22 LYS QD 1 22 LYS QG . . 2.380 2.053 2.006 2.091 . 0 0 "[ . 1 . 2]" 1
437 1 22 LYS QD 1 25 ASN QD . . 5.340 5.199 2.963 6.097 0.757 12 8 "[* - . *1*+ * * *]" 1
438 1 22 LYS QD 1 29 VAL QG . . 4.870 4.042 3.754 4.405 . 0 0 "[ . 1 . 2]" 1
439 1 22 LYS QE 1 29 VAL QG . . 4.720 4.619 3.344 5.279 0.559 8 12 "[ * ***+ * * .*-***]" 1
440 1 22 LYS QG 1 23 TYR H . . 4.870 4.431 4.397 4.491 . 0 0 "[ . 1 . 2]" 1
441 1 22 LYS QG 1 25 ASN QD . . 4.700 4.133 3.736 4.371 . 0 0 "[ . 1 . 2]" 1
442 1 22 LYS QG 1 29 VAL QG . . 5.040 4.354 3.675 4.609 . 0 0 "[ . 1 . 2]" 1
443 1 23 TYR H 1 23 TYR QB . . 2.810 2.249 2.217 2.257 . 0 0 "[ . 1 . 2]" 1
444 1 23 TYR H 1 23 TYR QD . . 4.260 4.191 4.153 4.200 . 0 0 "[ . 1 . 2]" 1
445 1 23 TYR H 1 24 ARG H . . 4.020 2.717 2.667 2.824 . 0 0 "[ . 1 . 2]" 1
446 1 23 TYR H 1 25 ASN HB2 . . 4.970 4.557 4.459 4.655 . 0 0 "[ . 1 . 2]" 1
447 1 23 TYR H 1 25 ASN QD . . 4.260 4.009 3.613 4.292 0.032 20 0 "[ . 1 . 2]" 1
448 1 23 TYR H 1 29 VAL QG . . 3.890 3.788 3.381 3.900 0.010 12 0 "[ . 1 . 2]" 1
449 1 23 TYR HA 1 23 TYR QD . . 3.350 3.059 2.934 3.137 . 0 0 "[ . 1 . 2]" 1
450 1 23 TYR HA 1 23 TYR QE . . 4.980 4.718 4.661 4.771 . 0 0 "[ . 1 . 2]" 1
451 1 23 TYR HA 1 26 ASP H . . 4.840 4.042 3.944 4.242 . 0 0 "[ . 1 . 2]" 1
452 1 23 TYR HA 1 29 VAL HB . . 4.770 2.992 2.611 3.195 . 0 0 "[ . 1 . 2]" 1
453 1 23 TYR HA 1 29 VAL MG1 . . 4.870 2.056 1.959 2.250 . 0 0 "[ . 1 . 2]" 1
454 1 23 TYR HA 1 29 VAL QG . . 3.470 2.050 1.955 2.240 . 0 0 "[ . 1 . 2]" 1
455 1 23 TYR HA 1 29 VAL MG2 . . 4.870 4.063 3.836 4.159 . 0 0 "[ . 1 . 2]" 1
456 1 23 TYR QB 1 24 ARG H . . 3.970 2.509 2.480 2.540 . 0 0 "[ . 1 . 2]" 1
457 1 23 TYR QB 1 24 ARG QG . . 5.010 3.513 2.957 4.204 . 0 0 "[ . 1 . 2]" 1
458 1 23 TYR QB 1 29 VAL QG . . 4.150 3.345 3.096 3.455 . 0 0 "[ . 1 . 2]" 1
459 1 23 TYR QD 1 24 ARG H . . 3.570 3.304 3.120 3.563 . 0 0 "[ . 1 . 2]" 1
460 1 23 TYR QD 1 24 ARG HA . . 3.420 3.160 3.066 3.376 . 0 0 "[ . 1 . 2]" 1
461 1 23 TYR QD 1 24 ARG QD . . 3.520 3.285 2.022 4.464 0.944 20 5 "[ . - 1** * +]" 1
462 1 23 TYR QD 1 24 ARG HG2 . . 4.100 3.492 2.572 4.257 0.157 6 0 "[ . 1 . 2]" 1
463 1 23 TYR QD 1 24 ARG QG . . 3.270 2.209 1.981 2.695 . 0 0 "[ . 1 . 2]" 1
464 1 23 TYR QD 1 24 ARG HG3 . . 4.100 2.486 1.993 4.143 0.043 20 0 "[ . 1 . 2]" 1
465 1 23 TYR QD 1 29 VAL QG . . 3.430 3.208 2.983 3.379 . 0 0 "[ . 1 . 2]" 1
466 1 23 TYR QD 1 30 ARG HA . . 3.270 3.251 2.999 3.289 0.019 9 0 "[ . 1 . 2]" 1
467 1 23 TYR QD 1 30 ARG QD . . 4.400 3.516 2.717 4.371 . 0 0 "[ . 1 . 2]" 1
468 1 23 TYR QD 1 30 ARG HG2 . . 4.080 3.114 2.824 3.457 . 0 0 "[ . 1 . 2]" 1
469 1 23 TYR QD 1 33 PHE H . . 5.030 4.761 4.454 4.922 . 0 0 "[ . 1 . 2]" 1
470 1 23 TYR QD 1 33 PHE HA . . 5.500 5.372 5.095 5.509 0.009 6 0 "[ . 1 . 2]" 1
471 1 23 TYR QD 1 33 PHE HB2 . . 3.880 3.105 2.826 3.301 . 0 0 "[ . 1 . 2]" 1
472 1 23 TYR QD 1 33 PHE HB3 . . 4.010 2.712 2.497 2.829 . 0 0 "[ . 1 . 2]" 1
473 1 23 TYR QD 1 33 PHE QD . . 3.720 3.310 2.620 3.581 . 0 0 "[ . 1 . 2]" 1
474 1 23 TYR QD 1 34 ASP H . . 5.460 5.260 5.059 5.469 0.009 20 0 "[ . 1 . 2]" 1
475 1 23 TYR QD 1 56 PRO QB . . 4.580 4.640 4.243 4.861 0.281 18 0 "[ . 1 . 2]" 1
476 1 23 TYR QE 1 24 ARG HA . . 5.070 4.600 4.376 4.909 . 0 0 "[ . 1 . 2]" 1
477 1 23 TYR QE 1 24 ARG QG . . 4.000 3.629 3.241 4.264 0.264 7 0 "[ . 1 . 2]" 1
478 1 23 TYR QE 1 30 ARG H . . 5.290 5.159 5.112 5.201 . 0 0 "[ . 1 . 2]" 1
479 1 23 TYR QE 1 30 ARG HA . . 3.140 2.690 2.524 2.811 . 0 0 "[ . 1 . 2]" 1
480 1 23 TYR QE 1 30 ARG HB2 . . 4.710 4.693 4.358 4.962 0.252 17 0 "[ . 1 . 2]" 1
481 1 23 TYR QE 1 30 ARG QD . . 4.350 2.911 2.091 4.183 . 0 0 "[ . 1 . 2]" 1
482 1 23 TYR QE 1 30 ARG HG2 . . 3.850 3.101 2.930 3.456 . 0 0 "[ . 1 . 2]" 1
483 1 23 TYR QE 1 30 ARG HG3 . . 4.720 4.468 4.290 4.717 . 0 0 "[ . 1 . 2]" 1
484 1 23 TYR QE 1 33 PHE H . . 5.000 4.432 4.132 4.685 . 0 0 "[ . 1 . 2]" 1
485 1 23 TYR QE 1 33 PHE HA . . 5.500 5.162 4.829 5.463 . 0 0 "[ . 1 . 2]" 1
486 1 23 TYR QE 1 33 PHE HB2 . . 4.580 3.649 3.177 3.996 . 0 0 "[ . 1 . 2]" 1
487 1 23 TYR QE 1 33 PHE HB3 . . 3.260 2.364 1.999 2.702 . 0 0 "[ . 1 . 2]" 1
488 1 23 TYR QE 1 34 ASP H . . 4.200 3.744 3.497 3.923 . 0 0 "[ . 1 . 2]" 1
489 1 23 TYR QE 1 34 ASP HA . . 4.780 3.978 3.830 4.154 . 0 0 "[ . 1 . 2]" 1
490 1 23 TYR QE 1 34 ASP HB2 . . 4.270 3.679 3.451 3.897 . 0 0 "[ . 1 . 2]" 1
491 1 23 TYR QE 1 37 GLN HE22 . . 4.620 2.972 2.685 3.242 . 0 0 "[ . 1 . 2]" 1
492 1 23 TYR QE 1 56 PRO HA . . 5.170 4.788 4.143 5.084 . 0 0 "[ . 1 . 2]" 1
493 1 23 TYR QE 1 56 PRO QB . . 3.350 3.154 2.855 3.300 . 0 0 "[ . 1 . 2]" 1
494 1 23 TYR QE 1 56 PRO QG . . 3.810 3.097 2.818 3.466 . 0 0 "[ . 1 . 2]" 1
495 1 24 ARG H 1 24 ARG QB . . 3.190 2.373 2.146 2.598 . 0 0 "[ . 1 . 2]" 1
496 1 24 ARG H 1 24 ARG HD2 . . 5.020 3.434 2.071 5.317 0.297 11 0 "[ . 1 . 2]" 1
497 1 24 ARG H 1 24 ARG QD . . 4.420 2.914 1.918 4.547 0.127 15 0 "[ . 1 . 2]" 1
498 1 24 ARG H 1 24 ARG HD3 . . 5.020 3.393 1.949 4.939 . 0 0 "[ . 1 . 2]" 1
499 1 24 ARG H 1 24 ARG HG2 . . 4.240 4.004 3.726 4.247 0.007 9 0 "[ . 1 . 2]" 1
500 1 24 ARG H 1 24 ARG QG . . 3.700 3.069 2.725 3.511 . 0 0 "[ . 1 . 2]" 1
501 1 24 ARG H 1 24 ARG HG3 . . 4.240 3.288 2.766 4.257 0.017 20 0 "[ . 1 . 2]" 1
502 1 24 ARG H 1 25 ASN H . . 3.680 2.559 2.292 2.591 . 0 0 "[ . 1 . 2]" 1
503 1 24 ARG H 1 25 ASN HB2 . . 5.500 4.343 4.272 4.440 . 0 0 "[ . 1 . 2]" 1
504 1 24 ARG H 1 25 ASN QD . . 4.810 2.915 2.641 3.085 . 0 0 "[ . 1 . 2]" 1
505 1 24 ARG H 1 26 ASP H . . 4.510 4.504 4.375 4.534 0.024 9 0 "[ . 1 . 2]" 1
506 1 24 ARG H 1 30 ARG QD . . 5.500 5.298 4.987 5.504 0.004 17 0 "[ . 1 . 2]" 1
507 1 24 ARG HA 1 24 ARG HD2 . . 4.720 4.073 3.492 4.555 . 0 0 "[ . 1 . 2]" 1
508 1 24 ARG HA 1 24 ARG QD . . 3.980 3.449 2.405 4.037 0.057 7 0 "[ . 1 . 2]" 1
509 1 24 ARG HA 1 24 ARG HD3 . . 4.720 3.864 2.441 4.541 . 0 0 "[ . 1 . 2]" 1
510 1 24 ARG HA 1 24 ARG HG2 . . 3.830 3.105 2.277 3.589 . 0 0 "[ . 1 . 2]" 1
511 1 24 ARG HA 1 24 ARG QG . . 3.250 2.374 2.243 2.527 . 0 0 "[ . 1 . 2]" 1
512 1 24 ARG HA 1 24 ARG HG3 . . 3.830 2.705 2.271 3.553 . 0 0 "[ . 1 . 2]" 1
513 1 24 ARG HA 1 26 ASP H . . 5.070 4.351 4.171 4.485 . 0 0 "[ . 1 . 2]" 1
514 1 24 ARG HA 1 30 ARG QD . . 4.570 3.184 2.775 3.629 . 0 0 "[ . 1 . 2]" 1
515 1 24 ARG QB 1 24 ARG QD . . 3.360 2.116 1.978 2.207 . 0 0 "[ . 1 . 2]" 1
516 1 24 ARG QB 1 25 ASN H . . 3.930 3.560 3.200 3.616 . 0 0 "[ . 1 . 2]" 1
517 1 24 ARG QB 1 25 ASN HA . . 4.710 4.161 4.021 4.206 . 0 0 "[ . 1 . 2]" 1
518 1 24 ARG QB 1 25 ASN HD21 . . 4.280 3.177 2.981 3.517 . 0 0 "[ . 1 . 2]" 1
519 1 24 ARG QB 1 25 ASN QD . . 3.700 3.033 2.858 3.294 . 0 0 "[ . 1 . 2]" 1
520 1 24 ARG QB 1 25 ASN HD22 . . 4.280 3.872 3.622 4.238 . 0 0 "[ . 1 . 2]" 1
521 1 24 ARG QD 1 25 ASN QD . . 4.760 4.117 3.426 4.651 . 0 0 "[ . 1 . 2]" 1
522 1 25 ASN H 1 25 ASN HB2 . . 3.200 2.362 2.236 2.437 . 0 0 "[ . 1 . 2]" 1
523 1 25 ASN H 1 25 ASN HB3 . . 3.880 3.606 3.522 3.656 . 0 0 "[ . 1 . 2]" 1
524 1 25 ASN H 1 25 ASN HD21 . . 4.470 2.398 1.984 2.585 . 0 0 "[ . 1 . 2]" 1
525 1 25 ASN H 1 25 ASN QD . . 3.910 2.382 1.976 2.561 . 0 0 "[ . 1 . 2]" 1
526 1 25 ASN H 1 25 ASN HD22 . . 4.470 4.067 3.692 4.198 . 0 0 "[ . 1 . 2]" 1
527 1 25 ASN H 1 26 ASP H . . 3.320 2.167 2.085 2.578 . 0 0 "[ . 1 . 2]" 1
528 1 25 ASN HA 1 25 ASN QD . . 4.050 2.900 2.585 3.317 . 0 0 "[ . 1 . 2]" 1
529 1 25 ASN HB2 1 25 ASN HD22 . . 3.800 3.619 3.520 3.696 . 0 0 "[ . 1 . 2]" 1
530 1 25 ASN HB2 1 26 ASP H . . 4.740 2.746 2.683 2.841 . 0 0 "[ . 1 . 2]" 1
531 1 25 ASN HB3 1 26 ASP H . . 4.080 3.495 3.366 3.579 . 0 0 "[ . 1 . 2]" 1
532 1 26 ASP H 1 26 ASP QB . . 3.350 2.450 2.321 2.534 . 0 0 "[ . 1 . 2]" 1
533 1 26 ASP H 1 27 GLU H . . 4.910 4.340 4.291 4.393 . 0 0 "[ . 1 . 2]" 1
534 1 26 ASP H 1 29 VAL HB . . 5.420 3.362 3.252 3.506 . 0 0 "[ . 1 . 2]" 1
535 1 26 ASP H 1 29 VAL QG . . 4.270 3.353 3.161 3.459 . 0 0 "[ . 1 . 2]" 1
536 1 26 ASP H 1 30 ARG H . . 5.500 5.015 4.922 5.105 . 0 0 "[ . 1 . 2]" 1
537 1 26 ASP HA 1 27 GLU H . . 3.090 2.158 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
538 1 26 ASP HA 1 28 HIS H . . 4.080 3.989 3.703 4.100 0.020 8 0 "[ . 1 . 2]" 1
539 1 26 ASP HA 1 29 VAL H . . 4.950 4.431 4.288 4.532 . 0 0 "[ . 1 . 2]" 1
540 1 26 ASP QB 1 27 GLU H . . 4.410 3.307 3.138 3.527 . 0 0 "[ . 1 . 2]" 1
541 1 26 ASP QB 1 28 HIS H . . 4.990 3.064 2.737 3.363 . 0 0 "[ . 1 . 2]" 1
542 1 26 ASP QB 1 29 VAL H . . 3.590 2.380 2.035 2.654 . 0 0 "[ . 1 . 2]" 1
543 1 26 ASP QB 1 29 VAL HB . . 3.850 2.826 2.547 3.094 . 0 0 "[ . 1 . 2]" 1
544 1 26 ASP QB 1 29 VAL QG . . 3.260 1.804 1.728 1.974 . 0 0 "[ . 1 . 2]" 1
545 1 26 ASP QB 1 30 ARG H . . 4.730 4.281 4.038 4.469 . 0 0 "[ . 1 . 2]" 1
546 1 26 ASP HB2 1 27 GLU H . . 5.050 4.404 4.287 4.537 . 0 0 "[ . 1 . 2]" 1
547 1 26 ASP HB2 1 29 VAL H . . 4.270 3.539 3.285 3.980 . 0 0 "[ . 1 . 2]" 1
548 1 26 ASP HB2 1 29 VAL HB . . 4.640 3.134 2.785 3.818 . 0 0 "[ . 1 . 2]" 1
549 1 26 ASP HB3 1 27 GLU H . . 5.050 3.419 3.226 3.682 . 0 0 "[ . 1 . 2]" 1
550 1 26 ASP HB3 1 29 VAL H . . 4.270 2.430 2.051 2.801 . 0 0 "[ . 1 . 2]" 1
551 1 26 ASP HB3 1 29 VAL HB . . 4.640 3.330 2.903 3.917 . 0 0 "[ . 1 . 2]" 1
552 1 27 GLU H 1 27 GLU HB2 . . 3.640 3.587 3.569 3.593 . 0 0 "[ . 1 . 2]" 1
553 1 27 GLU H 1 27 GLU QB . . 3.100 2.523 2.330 2.632 . 0 0 "[ . 1 . 2]" 1
554 1 27 GLU H 1 27 GLU HB3 . . 3.640 2.580 2.361 2.708 . 0 0 "[ . 1 . 2]" 1
555 1 27 GLU H 1 27 GLU QG . . 3.600 2.186 1.934 3.294 . 0 0 "[ . 1 . 2]" 1
556 1 27 GLU H 1 28 HIS H . . 3.830 2.653 2.603 2.690 . 0 0 "[ . 1 . 2]" 1
557 1 27 GLU H 1 28 HIS HB2 . . 4.750 4.583 4.478 4.678 . 0 0 "[ . 1 . 2]" 1
558 1 27 GLU H 1 29 VAL H . . 4.810 4.077 4.001 4.284 . 0 0 "[ . 1 . 2]" 1
559 1 27 GLU H 1 29 VAL QG . . 5.020 4.724 4.634 4.928 . 0 0 "[ . 1 . 2]" 1
560 1 27 GLU HA 1 27 GLU QG . . 3.690 3.359 3.329 3.460 . 0 0 "[ . 1 . 2]" 1
561 1 27 GLU HA 1 29 VAL H . . 4.740 4.059 3.945 4.432 . 0 0 "[ . 1 . 2]" 1
562 1 27 GLU HA 1 30 ARG H . . 3.830 3.343 3.200 3.603 . 0 0 "[ . 1 . 2]" 1
563 1 27 GLU HA 1 30 ARG HB2 . . 4.480 3.204 3.072 3.376 . 0 0 "[ . 1 . 2]" 1
564 1 27 GLU HA 1 30 ARG QD . . 4.890 3.238 1.964 4.227 . 0 0 "[ . 1 . 2]" 1
565 1 27 GLU HA 1 30 ARG HE . . 4.620 3.554 1.975 4.835 0.215 2 0 "[ . 1 . 2]" 1
566 1 27 GLU QB 1 28 HIS H . . 3.910 3.381 3.325 3.535 . 0 0 "[ . 1 . 2]" 1
567 1 27 GLU QB 1 28 HIS HD2 . . 5.340 3.909 3.605 4.390 . 0 0 "[ . 1 . 2]" 1
568 1 27 GLU QB 1 30 ARG QD . . 4.950 4.248 3.116 5.181 0.231 14 0 "[ . 1 . 2]" 1
569 1 27 GLU HB2 1 28 HIS H . . 4.580 3.703 3.594 4.028 . 0 0 "[ . 1 . 2]" 1
570 1 27 GLU HB3 1 28 HIS H . . 4.580 3.923 3.869 4.067 . 0 0 "[ . 1 . 2]" 1
571 1 27 GLU QG 1 28 HIS H . . 3.990 2.098 1.904 2.656 . 0 0 "[ . 1 . 2]" 1
572 1 27 GLU QG 1 28 HIS HA . . 4.830 3.399 3.076 4.009 . 0 0 "[ . 1 . 2]" 1
573 1 27 GLU QG 1 28 HIS HD2 . . 4.710 2.246 1.983 3.661 . 0 0 "[ . 1 . 2]" 1
574 1 27 GLU HG2 1 28 HIS H . . 4.680 2.315 1.947 3.627 . 0 0 "[ . 1 . 2]" 1
575 1 27 GLU HG2 1 28 HIS HD2 . . 5.410 3.335 1.998 4.539 . 0 0 "[ . 1 . 2]" 1
576 1 27 GLU HG3 1 28 HIS H . . 4.680 2.727 1.947 3.951 . 0 0 "[ . 1 . 2]" 1
577 1 27 GLU HG3 1 28 HIS HD2 . . 5.410 2.485 2.009 3.863 . 0 0 "[ . 1 . 2]" 1
578 1 28 HIS H 1 28 HIS HB2 . . 2.900 2.254 2.175 2.371 . 0 0 "[ . 1 . 2]" 1
579 1 28 HIS H 1 28 HIS HD2 . . 4.450 3.086 2.869 3.407 . 0 0 "[ . 1 . 2]" 1
580 1 28 HIS H 1 29 VAL H . . 3.240 2.661 2.547 2.755 . 0 0 "[ . 1 . 2]" 1
581 1 28 HIS H 1 29 VAL QG . . 4.260 3.965 3.868 4.050 . 0 0 "[ . 1 . 2]" 1
582 1 28 HIS H 1 30 ARG H . . 4.220 4.181 4.048 4.236 0.016 8 0 "[ . 1 . 2]" 1
583 1 28 HIS H 1 31 LYS H . . 5.190 5.249 5.205 5.398 0.208 17 0 "[ . 1 . 2]" 1
584 1 28 HIS HA 1 28 HIS HD2 . . 4.020 2.380 2.189 2.531 . 0 0 "[ . 1 . 2]" 1
585 1 28 HIS HA 1 31 LYS H . . 3.760 3.722 3.561 3.773 0.013 19 0 "[ . 1 . 2]" 1
586 1 28 HIS HA 1 31 LYS QB . . 3.950 3.941 3.873 3.986 0.036 20 0 "[ . 1 . 2]" 1
587 1 28 HIS HA 1 31 LYS QD . . 4.960 2.819 2.581 4.013 . 0 0 "[ . 1 . 2]" 1
588 1 28 HIS HB2 1 28 HIS HD2 . . 3.660 3.575 3.474 3.648 . 0 0 "[ . 1 . 2]" 1
589 1 28 HIS HB2 1 29 VAL H . . 3.130 2.969 2.770 3.058 . 0 0 "[ . 1 . 2]" 1
590 1 28 HIS HD2 1 31 LYS QB . . 5.500 5.148 4.833 5.499 . 0 0 "[ . 1 . 2]" 1
591 1 29 VAL H 1 29 VAL HB . . 2.960 2.499 2.466 2.547 . 0 0 "[ . 1 . 2]" 1
592 1 29 VAL H 1 29 VAL MG1 . . 3.770 3.764 3.757 3.767 . 0 0 "[ . 1 . 2]" 1
593 1 29 VAL H 1 29 VAL QG . . 2.850 2.139 2.004 2.254 . 0 0 "[ . 1 . 2]" 1
594 1 29 VAL H 1 29 VAL MG2 . . 3.770 2.152 2.011 2.272 . 0 0 "[ . 1 . 2]" 1
595 1 29 VAL H 1 30 ARG H . . 3.630 2.545 2.516 2.694 . 0 0 "[ . 1 . 2]" 1
596 1 29 VAL HA 1 29 VAL MG1 . . 3.490 2.326 2.307 2.369 . 0 0 "[ . 1 . 2]" 1
597 1 29 VAL HA 1 29 VAL QG . . 2.980 2.103 2.087 2.117 . 0 0 "[ . 1 . 2]" 1
598 1 29 VAL HA 1 29 VAL MG2 . . 3.490 2.401 2.334 2.425 . 0 0 "[ . 1 . 2]" 1
599 1 29 VAL HA 1 31 LYS H . . 4.850 4.751 4.589 4.790 . 0 0 "[ . 1 . 2]" 1
600 1 29 VAL HA 1 32 VAL H . . 3.840 3.496 3.244 3.552 . 0 0 "[ . 1 . 2]" 1
601 1 29 VAL HA 1 32 VAL HB . . 4.780 2.418 2.152 2.505 . 0 0 "[ . 1 . 2]" 1
602 1 29 VAL HA 1 32 VAL MG1 . . 4.020 3.714 3.487 3.792 . 0 0 "[ . 1 . 2]" 1
603 1 29 VAL HA 1 32 VAL QG . . 3.490 2.913 2.217 3.026 . 0 0 "[ . 1 . 2]" 1
604 1 29 VAL HA 1 32 VAL MG2 . . 4.020 3.050 2.241 3.186 . 0 0 "[ . 1 . 2]" 1
605 1 29 VAL HB 1 30 ARG H . . 4.150 2.798 2.778 2.814 . 0 0 "[ . 1 . 2]" 1
606 1 29 VAL QG 1 30 ARG H . . 3.450 3.325 3.296 3.337 . 0 0 "[ . 1 . 2]" 1
607 1 29 VAL QG 1 30 ARG HA . . 4.480 3.565 3.470 3.616 . 0 0 "[ . 1 . 2]" 1
608 1 29 VAL QG 1 32 VAL H . . 5.410 4.304 4.056 4.365 . 0 0 "[ . 1 . 2]" 1
609 1 29 VAL QG 1 33 PHE HB2 . . 4.260 2.707 2.523 2.894 . 0 0 "[ . 1 . 2]" 1
610 1 29 VAL QG 1 33 PHE HB3 . . 4.690 3.952 3.733 4.153 . 0 0 "[ . 1 . 2]" 1
611 1 29 VAL QG 1 33 PHE QD . . 3.760 3.284 2.661 3.411 . 0 0 "[ . 1 . 2]" 1
612 1 29 VAL QG 1 33 PHE QE . . 4.650 4.593 4.109 4.678 0.028 11 0 "[ . 1 . 2]" 1
613 1 29 VAL MG1 1 30 ARG H . . 4.080 3.604 3.527 3.632 . 0 0 "[ . 1 . 2]" 1
614 1 29 VAL MG2 1 30 ARG H . . 4.080 3.901 3.878 3.956 . 0 0 "[ . 1 . 2]" 1
615 1 30 ARG H 1 30 ARG HB2 . . 3.240 2.501 2.341 2.634 . 0 0 "[ . 1 . 2]" 1
616 1 30 ARG H 1 30 ARG HB3 . . 3.730 3.584 3.564 3.591 . 0 0 "[ . 1 . 2]" 1
617 1 30 ARG H 1 30 ARG QD . . 4.140 4.045 3.475 4.404 0.264 13 0 "[ . 1 . 2]" 1
618 1 30 ARG H 1 30 ARG HE . . 5.500 4.778 3.906 5.560 0.060 20 0 "[ . 1 . 2]" 1
619 1 30 ARG H 1 30 ARG HG2 . . 3.490 3.208 2.909 3.440 . 0 0 "[ . 1 . 2]" 1
620 1 30 ARG H 1 30 ARG HG3 . . 3.980 2.290 1.937 2.656 . 0 0 "[ . 1 . 2]" 1
621 1 30 ARG H 1 31 LYS H . . 3.530 2.793 2.766 2.910 . 0 0 "[ . 1 . 2]" 1
622 1 30 ARG HA 1 30 ARG HG2 . . 4.080 2.483 2.284 2.758 . 0 0 "[ . 1 . 2]" 1
623 1 30 ARG HA 1 30 ARG HG3 . . 4.110 3.238 3.025 3.434 . 0 0 "[ . 1 . 2]" 1
624 1 30 ARG HA 1 33 PHE H . . 4.730 3.749 3.619 3.987 . 0 0 "[ . 1 . 2]" 1
625 1 30 ARG HA 1 33 PHE HB2 . . 4.400 3.715 3.468 4.070 . 0 0 "[ . 1 . 2]" 1
626 1 30 ARG HA 1 33 PHE HB3 . . 4.790 3.632 3.497 4.220 . 0 0 "[ . 1 . 2]" 1
627 1 30 ARG HA 1 34 ASP H . . 4.680 4.018 3.908 4.220 . 0 0 "[ . 1 . 2]" 1
628 1 30 ARG HB2 1 31 LYS H . . 4.000 2.320 2.273 2.405 . 0 0 "[ . 1 . 2]" 1
629 1 30 ARG HB2 1 34 ASP HB2 . . 5.450 5.503 5.234 5.831 0.381 11 0 "[ . 1 . 2]" 1
630 1 30 ARG HB3 1 31 LYS H . . 4.060 3.376 3.201 3.517 . 0 0 "[ . 1 . 2]" 1
631 1 30 ARG HB3 1 34 ASP HB2 . . 4.710 4.397 4.217 4.613 . 0 0 "[ . 1 . 2]" 1
632 1 30 ARG QD 1 31 LYS H . . 5.500 4.720 4.218 5.133 . 0 0 "[ . 1 . 2]" 1
633 1 30 ARG HG3 1 31 LYS H . . 4.520 4.178 3.962 4.426 . 0 0 "[ . 1 . 2]" 1
634 1 31 LYS H 1 31 LYS QB . . 2.720 2.335 2.213 2.416 . 0 0 "[ . 1 . 2]" 1
635 1 31 LYS H 1 31 LYS QD . . 4.080 3.891 3.852 4.126 0.046 17 0 "[ . 1 . 2]" 1
636 1 31 LYS H 1 31 LYS QE . . 5.500 4.753 3.084 5.224 . 0 0 "[ . 1 . 2]" 1
637 1 31 LYS H 1 31 LYS HG2 . . 4.180 2.444 2.239 2.788 . 0 0 "[ . 1 . 2]" 1
638 1 31 LYS H 1 31 LYS QG . . 3.370 2.407 2.216 2.738 . 0 0 "[ . 1 . 2]" 1
639 1 31 LYS H 1 31 LYS HG3 . . 4.180 3.603 3.552 4.001 . 0 0 "[ . 1 . 2]" 1
640 1 31 LYS H 1 32 VAL QG . . 4.460 4.220 3.931 4.293 . 0 0 "[ . 1 . 2]" 1
641 1 31 LYS H 1 34 ASP HB3 . . 5.500 4.739 4.611 5.057 . 0 0 "[ . 1 . 2]" 1
642 1 31 LYS HA 1 31 LYS QD . . 4.510 4.354 4.248 4.521 0.011 16 0 "[ . 1 . 2]" 1
643 1 31 LYS HA 1 31 LYS HG2 . . 4.180 3.802 3.728 3.820 . 0 0 "[ . 1 . 2]" 1
644 1 31 LYS HA 1 31 LYS QG . . 3.620 3.325 3.266 3.341 . 0 0 "[ . 1 . 2]" 1
645 1 31 LYS HA 1 31 LYS HG3 . . 4.180 3.670 3.612 3.771 . 0 0 "[ . 1 . 2]" 1
646 1 31 LYS HA 1 34 ASP H . . 4.410 3.574 3.465 3.680 . 0 0 "[ . 1 . 2]" 1
647 1 31 LYS HA 1 34 ASP HB2 . . 4.540 3.425 3.019 3.673 . 0 0 "[ . 1 . 2]" 1
648 1 31 LYS HA 1 34 ASP HB3 . . 4.220 2.417 2.309 2.600 . 0 0 "[ . 1 . 2]" 1
649 1 31 LYS QB 1 31 LYS QD . . 3.480 2.174 2.097 2.333 . 0 0 "[ . 1 . 2]" 1
650 1 31 LYS QB 1 31 LYS QE . . 4.570 2.884 2.038 3.641 . 0 0 "[ . 1 . 2]" 1
651 1 31 LYS QB 1 32 VAL H . . 3.550 3.471 3.460 3.494 . 0 0 "[ . 1 . 2]" 1
652 1 31 LYS QB 1 32 VAL HA . . 5.070 4.504 4.415 4.656 . 0 0 "[ . 1 . 2]" 1
653 1 31 LYS QB 1 32 VAL QG . . 3.910 4.014 3.979 4.086 0.176 11 0 "[ . 1 . 2]" 1
654 1 31 LYS QD 1 32 VAL H . . 5.310 4.219 4.113 4.443 . 0 0 "[ . 1 . 2]" 1
655 1 31 LYS QD 1 32 VAL QG . . 4.500 3.572 3.254 3.865 . 0 0 "[ . 1 . 2]" 1
656 1 31 LYS QG 1 32 VAL H . . 3.890 2.210 2.163 2.267 . 0 0 "[ . 1 . 2]" 1
657 1 31 LYS QG 1 32 VAL HA . . 4.640 3.073 3.028 3.232 . 0 0 "[ . 1 . 2]" 1
658 1 31 LYS QG 1 32 VAL QG . . 3.370 2.175 2.123 2.280 . 0 0 "[ . 1 . 2]" 1
659 1 31 LYS HG2 1 32 VAL H . . 4.740 2.426 2.279 2.484 . 0 0 "[ . 1 . 2]" 1
660 1 31 LYS HG2 1 32 VAL MG1 . . 5.200 5.231 4.811 5.265 0.065 20 0 "[ . 1 . 2]" 1
661 1 31 LYS HG2 1 32 VAL MG2 . . 5.200 2.815 2.286 2.959 . 0 0 "[ . 1 . 2]" 1
662 1 31 LYS HG3 1 32 VAL H . . 4.740 2.567 2.504 3.251 . 0 0 "[ . 1 . 2]" 1
663 1 31 LYS HG3 1 32 VAL MG1 . . 5.200 4.682 4.642 4.969 . 0 0 "[ . 1 . 2]" 1
664 1 31 LYS HG3 1 32 VAL MG2 . . 5.200 2.300 2.198 3.017 . 0 0 "[ . 1 . 2]" 1
665 1 32 VAL H 1 32 VAL HB . . 2.840 2.397 2.375 2.501 . 0 0 "[ . 1 . 2]" 1
666 1 32 VAL H 1 32 VAL MG1 . . 3.880 3.736 3.727 3.761 . 0 0 "[ . 1 . 2]" 1
667 1 32 VAL H 1 32 VAL QG . . 2.660 2.386 2.231 2.461 . 0 0 "[ . 1 . 2]" 1
668 1 32 VAL H 1 32 VAL MG2 . . 3.880 2.414 2.248 2.496 . 0 0 "[ . 1 . 2]" 1
669 1 32 VAL H 1 33 PHE H . . 3.620 2.692 2.620 2.789 . 0 0 "[ . 1 . 2]" 1
670 1 32 VAL H 1 33 PHE HB2 . . 4.750 4.672 4.610 4.757 0.007 9 0 "[ . 1 . 2]" 1
671 1 32 VAL H 1 34 ASP H . . 4.590 3.726 3.687 3.833 . 0 0 "[ . 1 . 2]" 1
672 1 32 VAL HA 1 32 VAL MG1 . . 3.220 2.434 2.332 2.467 . 0 0 "[ . 1 . 2]" 1
673 1 32 VAL HA 1 32 VAL QG . . 2.780 2.116 2.080 2.137 . 0 0 "[ . 1 . 2]" 1
674 1 32 VAL HA 1 32 VAL MG2 . . 3.220 2.326 2.255 2.368 . 0 0 "[ . 1 . 2]" 1
675 1 32 VAL HA 1 35 GLU H . . 3.890 3.730 3.648 3.859 . 0 0 "[ . 1 . 2]" 1
676 1 32 VAL HA 1 35 GLU QB . . 4.390 3.650 3.097 4.250 . 0 0 "[ . 1 . 2]" 1
677 1 32 VAL HA 1 36 ILE H . . 4.700 4.286 4.174 4.412 . 0 0 "[ . 1 . 2]" 1
678 1 32 VAL HA 1 36 ILE HG13 . . 5.300 3.998 3.855 4.130 . 0 0 "[ . 1 . 2]" 1
679 1 32 VAL HB 1 33 PHE H . . 3.660 2.412 2.280 2.520 . 0 0 "[ . 1 . 2]" 1
680 1 32 VAL HB 1 33 PHE HA . . 5.090 4.401 4.295 4.443 . 0 0 "[ . 1 . 2]" 1
681 1 32 VAL HB 1 33 PHE QD . . 4.830 4.701 4.363 5.247 0.417 8 0 "[ . 1 . 2]" 1
682 1 32 VAL HB 1 34 ASP H . . 5.500 4.644 4.544 4.778 . 0 0 "[ . 1 . 2]" 1
683 1 32 VAL QG 1 33 PHE H . . 3.410 2.903 2.823 2.982 . 0 0 "[ . 1 . 2]" 1
684 1 32 VAL QG 1 33 PHE HA . . 3.900 3.151 3.067 3.348 . 0 0 "[ . 1 . 2]" 1
685 1 32 VAL QG 1 33 PHE HB2 . . 4.660 3.813 3.745 3.905 . 0 0 "[ . 1 . 2]" 1
686 1 32 VAL QG 1 33 PHE HB3 . . 5.440 4.838 4.769 4.939 . 0 0 "[ . 1 . 2]" 1
687 1 32 VAL QG 1 33 PHE QD . . 4.500 3.514 3.303 4.433 . 0 0 "[ . 1 . 2]" 1
688 1 32 VAL QG 1 35 GLU QG . . 5.220 4.069 3.190 4.887 . 0 0 "[ . 1 . 2]" 1
689 1 32 VAL QG 1 36 ILE MD . . 3.180 1.846 1.762 2.086 . 0 0 "[ . 1 . 2]" 1
690 1 32 VAL QG 1 36 ILE HG13 . . 4.950 3.103 2.918 3.213 . 0 0 "[ . 1 . 2]" 1
691 1 32 VAL MG1 1 33 PHE H . . 4.150 3.002 2.906 3.117 . 0 0 "[ . 1 . 2]" 1
692 1 32 VAL MG1 1 35 GLU H . . 5.500 4.854 4.761 4.929 . 0 0 "[ . 1 . 2]" 1
693 1 32 VAL MG2 1 33 PHE H . . 4.150 3.860 3.748 3.911 . 0 0 "[ . 1 . 2]" 1
694 1 32 VAL MG2 1 35 GLU H . . 5.500 5.361 5.289 5.445 . 0 0 "[ . 1 . 2]" 1
695 1 33 PHE H 1 33 PHE HB2 . . 2.960 2.156 2.128 2.181 . 0 0 "[ . 1 . 2]" 1
696 1 33 PHE H 1 33 PHE HB3 . . 3.770 3.015 2.979 3.075 . 0 0 "[ . 1 . 2]" 1
697 1 33 PHE H 1 33 PHE QD . . 4.360 3.780 3.650 4.003 . 0 0 "[ . 1 . 2]" 1
698 1 33 PHE H 1 34 ASP H . . 4.030 2.564 2.507 2.627 . 0 0 "[ . 1 . 2]" 1
699 1 33 PHE H 1 36 ILE MD . . 5.130 3.880 3.778 4.120 . 0 0 "[ . 1 . 2]" 1
700 1 33 PHE HA 1 33 PHE QD . . 3.720 2.702 2.419 2.869 . 0 0 "[ . 1 . 2]" 1
701 1 33 PHE HA 1 33 PHE QE . . 5.500 4.365 4.248 4.418 . 0 0 "[ . 1 . 2]" 1
702 1 33 PHE HA 1 36 ILE H . . 3.720 3.500 3.418 3.536 . 0 0 "[ . 1 . 2]" 1
703 1 33 PHE HA 1 36 ILE HB . . 3.670 2.606 2.527 2.645 . 0 0 "[ . 1 . 2]" 1
704 1 33 PHE HA 1 36 ILE MD . . 3.560 2.415 2.046 2.724 . 0 0 "[ . 1 . 2]" 1
705 1 33 PHE HA 1 36 ILE HG13 . . 4.650 3.880 3.666 4.005 . 0 0 "[ . 1 . 2]" 1
706 1 33 PHE HA 1 36 ILE MG . . 3.990 3.977 3.903 4.007 0.017 10 0 "[ . 1 . 2]" 1
707 1 33 PHE HA 1 37 GLN H . . 5.100 3.754 3.495 3.971 . 0 0 "[ . 1 . 2]" 1
708 1 33 PHE HA 1 37 GLN HE21 . . 5.500 4.235 3.776 4.413 . 0 0 "[ . 1 . 2]" 1
709 1 33 PHE HB2 1 34 ASP H . . 4.560 3.673 3.546 3.721 . 0 0 "[ . 1 . 2]" 1
710 1 33 PHE HB3 1 34 ASP H . . 4.530 3.095 2.961 3.161 . 0 0 "[ . 1 . 2]" 1
711 1 33 PHE HB3 1 56 PRO QG . . 5.030 4.469 4.247 4.705 . 0 0 "[ . 1 . 2]" 1
712 1 33 PHE QD 1 36 ILE HB . . 5.260 4.339 3.169 4.533 . 0 0 "[ . 1 . 2]" 1
713 1 33 PHE QD 1 36 ILE MD . . 4.180 3.477 3.057 3.875 . 0 0 "[ . 1 . 2]" 1
714 1 33 PHE QD 1 36 ILE MG . . 4.690 4.645 3.774 4.834 0.144 10 0 "[ . 1 . 2]" 1
715 1 33 PHE QD 1 37 GLN HG2 . . 4.630 3.822 3.604 3.986 . 0 0 "[ . 1 . 2]" 1
716 1 33 PHE QD 1 37 GLN HG3 . . 4.240 2.822 1.979 3.041 . 0 0 "[ . 1 . 2]" 1
717 1 33 PHE QE 1 36 ILE MD . . 5.040 4.479 4.155 4.715 . 0 0 "[ . 1 . 2]" 1
718 1 33 PHE QE 1 36 ILE MG . . 4.770 4.692 3.787 4.935 0.165 6 0 "[ . 1 . 2]" 1
719 1 33 PHE QE 1 44 GLY H . . 4.550 3.228 2.987 4.249 . 0 0 "[ . 1 . 2]" 1
720 1 33 PHE QE 1 44 GLY HA2 . . 4.780 2.344 2.079 3.910 . 0 0 "[ . 1 . 2]" 1
721 1 33 PHE QE 1 44 GLY HA3 . . 5.300 3.796 3.598 5.062 . 0 0 "[ . 1 . 2]" 1
722 1 33 PHE HZ 1 44 GLY HA2 . . 4.660 4.022 3.815 4.235 . 0 0 "[ . 1 . 2]" 1
723 1 33 PHE HZ 1 45 ALA H . . 4.410 3.440 3.066 3.691 . 0 0 "[ . 1 . 2]" 1
724 1 33 PHE HZ 1 45 ALA HA . . 3.570 2.043 1.994 2.383 . 0 0 "[ . 1 . 2]" 1
725 1 33 PHE HZ 1 45 ALA MB . . 3.050 2.613 2.058 2.920 . 0 0 "[ . 1 . 2]" 1
726 1 33 PHE HZ 1 70 CYS HB2 . . 4.410 3.572 3.137 4.005 . 0 0 "[ . 1 . 2]" 1
727 1 33 PHE HZ 1 70 CYS HB3 . . 5.350 4.277 3.860 4.720 . 0 0 "[ . 1 . 2]" 1
728 1 34 ASP H 1 34 ASP HB2 . . 3.810 2.741 2.494 2.887 . 0 0 "[ . 1 . 2]" 1
729 1 34 ASP H 1 34 ASP HB3 . . 3.620 2.364 2.250 2.573 . 0 0 "[ . 1 . 2]" 1
730 1 34 ASP H 1 35 GLU H . . 3.760 2.648 2.613 2.715 . 0 0 "[ . 1 . 2]" 1
731 1 34 ASP H 1 35 GLU QB . . 5.340 4.692 4.420 4.923 . 0 0 "[ . 1 . 2]" 1
732 1 34 ASP HA 1 36 ILE H . . 5.210 4.488 4.441 4.676 . 0 0 "[ . 1 . 2]" 1
733 1 34 ASP HA 1 37 GLN H . . 4.610 3.651 3.534 3.887 . 0 0 "[ . 1 . 2]" 1
734 1 34 ASP HA 1 37 GLN QB . . 4.400 2.691 2.572 2.867 . 0 0 "[ . 1 . 2]" 1
735 1 34 ASP HA 1 37 GLN HE21 . . 4.070 2.081 1.946 2.622 . 0 0 "[ . 1 . 2]" 1
736 1 34 ASP HA 1 37 GLN HE22 . . 4.390 3.175 3.003 3.503 . 0 0 "[ . 1 . 2]" 1
737 1 34 ASP HA 1 38 GLN H . . 5.500 4.313 4.161 4.381 . 0 0 "[ . 1 . 2]" 1
738 1 34 ASP HA 1 58 SER QB . . 4.260 2.305 2.168 2.588 . 0 0 "[ . 1 . 2]" 1
739 1 34 ASP HB2 1 35 GLU H . . 4.130 3.895 3.768 3.957 . 0 0 "[ . 1 . 2]" 1
740 1 34 ASP HB2 1 58 SER H . . 5.500 4.661 4.445 5.032 . 0 0 "[ . 1 . 2]" 1
741 1 34 ASP HB2 1 58 SER QB . . 4.730 3.435 3.243 3.711 . 0 0 "[ . 1 . 2]" 1
742 1 34 ASP HB3 1 35 GLU H . . 3.780 2.523 2.437 2.599 . 0 0 "[ . 1 . 2]" 1
743 1 34 ASP HB3 1 58 SER HB2 . . 5.490 5.115 4.359 5.474 . 0 0 "[ . 1 . 2]" 1
744 1 34 ASP HB3 1 58 SER QB . . 4.770 4.017 3.879 4.375 . 0 0 "[ . 1 . 2]" 1
745 1 34 ASP HB3 1 58 SER HB3 . . 5.490 4.223 4.094 4.600 . 0 0 "[ . 1 . 2]" 1
746 1 35 GLU H 1 35 GLU QB . . 2.870 2.416 2.180 2.579 . 0 0 "[ . 1 . 2]" 1
747 1 35 GLU H 1 35 GLU HG2 . . 4.240 2.529 1.973 3.635 . 0 0 "[ . 1 . 2]" 1
748 1 35 GLU H 1 35 GLU QG . . 3.450 2.287 1.953 2.844 . 0 0 "[ . 1 . 2]" 1
749 1 35 GLU H 1 35 GLU HG3 . . 4.240 3.191 2.419 3.623 . 0 0 "[ . 1 . 2]" 1
750 1 35 GLU H 1 36 ILE H . . 3.430 2.607 2.595 2.639 . 0 0 "[ . 1 . 2]" 1
751 1 35 GLU H 1 36 ILE HB . . 5.010 4.855 4.835 4.889 . 0 0 "[ . 1 . 2]" 1
752 1 35 GLU H 1 36 ILE MD . . 5.240 4.837 4.746 5.005 . 0 0 "[ . 1 . 2]" 1
753 1 35 GLU H 1 36 ILE HG13 . . 4.410 4.243 4.219 4.287 . 0 0 "[ . 1 . 2]" 1
754 1 35 GLU H 1 37 GLN H . . 4.600 4.133 3.977 4.448 . 0 0 "[ . 1 . 2]" 1
755 1 35 GLU HA 1 35 GLU HG2 . . 4.180 3.026 2.170 3.731 . 0 0 "[ . 1 . 2]" 1
756 1 35 GLU HA 1 35 GLU QG . . 3.540 2.831 2.134 3.338 . 0 0 "[ . 1 . 2]" 1
757 1 35 GLU HA 1 35 GLU HG3 . . 4.180 3.603 2.951 3.794 . 0 0 "[ . 1 . 2]" 1
758 1 35 GLU HA 1 37 GLN H . . 4.940 4.488 4.223 4.913 . 0 0 "[ . 1 . 2]" 1
759 1 35 GLU HA 1 38 GLN H . . 4.740 3.626 3.521 3.786 . 0 0 "[ . 1 . 2]" 1
760 1 35 GLU HA 1 38 GLN HG2 . . 4.910 4.294 4.155 4.472 . 0 0 "[ . 1 . 2]" 1
761 1 35 GLU HA 1 39 LYS H . . 4.700 3.926 3.695 4.076 . 0 0 "[ . 1 . 2]" 1
762 1 35 GLU HA 1 39 LYS QD . . 4.740 4.971 4.589 5.379 0.639 11 4 "[ - 1+* .* 2]" 1
763 1 35 GLU QB 1 36 ILE H . . 3.720 2.947 2.514 3.409 . 0 0 "[ . 1 . 2]" 1
764 1 35 GLU HB2 1 36 ILE H . . 4.310 3.120 2.580 3.720 . 0 0 "[ . 1 . 2]" 1
765 1 35 GLU HB3 1 36 ILE H . . 4.310 3.713 3.377 3.977 . 0 0 "[ . 1 . 2]" 1
766 1 35 GLU QG 1 36 ILE H . . 4.490 3.360 2.096 4.345 . 0 0 "[ . 1 . 2]" 1
767 1 35 GLU QG 1 39 LYS QD . . 5.220 4.754 3.575 5.786 0.566 11 1 "[ . 1+ . 2]" 1
768 1 36 ILE H 1 36 ILE HB . . 3.070 2.516 2.502 2.542 . 0 0 "[ . 1 . 2]" 1
769 1 36 ILE H 1 36 ILE MD . . 3.710 3.310 3.244 3.408 . 0 0 "[ . 1 . 2]" 1
770 1 36 ILE H 1 36 ILE HG12 . . 3.740 3.602 3.462 3.661 . 0 0 "[ . 1 . 2]" 1
771 1 36 ILE H 1 36 ILE HG13 . . 3.100 2.164 2.075 2.204 . 0 0 "[ . 1 . 2]" 1
772 1 36 ILE H 1 36 ILE MG . . 3.770 3.765 3.763 3.767 . 0 0 "[ . 1 . 2]" 1
773 1 36 ILE H 1 37 GLN H . . 3.680 2.600 2.516 2.743 . 0 0 "[ . 1 . 2]" 1
774 1 36 ILE H 1 37 GLN HG3 . . 5.470 5.017 4.881 5.207 . 0 0 "[ . 1 . 2]" 1
775 1 36 ILE HA 1 36 ILE MD . . 4.160 3.880 3.868 3.884 . 0 0 "[ . 1 . 2]" 1
776 1 36 ILE HA 1 36 ILE HG12 . . 4.080 2.699 2.626 2.737 . 0 0 "[ . 1 . 2]" 1
777 1 36 ILE HA 1 36 ILE HG13 . . 3.950 2.812 2.752 2.910 . 0 0 "[ . 1 . 2]" 1
778 1 36 ILE HA 1 36 ILE MG . . 3.250 2.350 2.303 2.399 . 0 0 "[ . 1 . 2]" 1
779 1 36 ILE HA 1 39 LYS H . . 4.020 3.674 3.580 3.765 . 0 0 "[ . 1 . 2]" 1
780 1 36 ILE HA 1 39 LYS HB3 . . 4.320 3.727 3.477 3.954 . 0 0 "[ . 1 . 2]" 1
781 1 36 ILE HA 1 40 LEU H . . 3.980 3.833 3.650 3.922 . 0 0 "[ . 1 . 2]" 1
782 1 36 ILE HA 1 40 LEU QD . . 4.730 3.640 2.761 4.252 . 0 0 "[ . 1 . 2]" 1
783 1 36 ILE HB 1 36 ILE MD . . 3.480 2.314 2.244 2.403 . 0 0 "[ . 1 . 2]" 1
784 1 36 ILE HB 1 37 GLN H . . 3.600 2.633 2.292 2.845 . 0 0 "[ . 1 . 2]" 1
785 1 36 ILE MD 1 36 ILE MG . . 2.920 2.141 2.005 2.258 . 0 0 "[ . 1 . 2]" 1
786 1 36 ILE MD 1 37 GLN H . . 4.670 4.401 4.109 4.568 . 0 0 "[ . 1 . 2]" 1
787 1 36 ILE MD 1 37 GLN HG3 . . 5.330 5.174 4.942 5.366 0.036 1 0 "[ . 1 . 2]" 1
788 1 36 ILE MD 1 39 LYS QD . . 4.920 4.364 4.175 4.615 . 0 0 "[ . 1 . 2]" 1
789 1 36 ILE HG12 1 36 ILE MG . . 3.000 2.246 2.163 2.324 . 0 0 "[ . 1 . 2]" 1
790 1 36 ILE HG12 1 39 LYS QE . . 4.650 4.175 2.087 4.637 . 0 0 "[ . 1 . 2]" 1
791 1 36 ILE MG 1 37 GLN H . . 3.320 3.472 3.146 3.681 0.361 3 0 "[ . 1 . 2]" 1
792 1 36 ILE MG 1 37 GLN HA . . 4.120 3.512 3.262 3.705 . 0 0 "[ . 1 . 2]" 1
793 1 36 ILE MG 1 37 GLN HG2 . . 4.930 4.892 4.754 5.053 0.123 18 0 "[ . 1 . 2]" 1
794 1 36 ILE MG 1 37 GLN HG3 . . 4.050 4.062 3.840 4.222 0.172 18 0 "[ . 1 . 2]" 1
795 1 36 ILE MG 1 39 LYS QE . . 4.920 3.819 1.968 4.630 . 0 0 "[ . 1 . 2]" 1
796 1 36 ILE MG 1 40 LEU H . . 4.110 3.928 3.623 4.100 . 0 0 "[ . 1 . 2]" 1
797 1 36 ILE MG 1 40 LEU HA . . 5.270 5.021 4.719 5.213 . 0 0 "[ . 1 . 2]" 1
798 1 36 ILE MG 1 40 LEU HB2 . . 4.090 3.043 2.352 3.317 . 0 0 "[ . 1 . 2]" 1
799 1 36 ILE MG 1 42 CYS H . . 5.280 5.408 5.083 5.520 0.240 1 0 "[ . 1 . 2]" 1
800 1 36 ILE MG 1 70 CYS HB3 . . 4.250 3.971 3.603 4.165 . 0 0 "[ . 1 . 2]" 1
801 1 37 GLN H 1 37 GLN QB . . 3.350 2.198 2.142 2.305 . 0 0 "[ . 1 . 2]" 1
802 1 37 GLN H 1 37 GLN HE21 . . 4.040 3.368 3.174 3.538 . 0 0 "[ . 1 . 2]" 1
803 1 37 GLN H 1 37 GLN HG2 . . 4.090 3.986 3.835 4.129 0.039 8 0 "[ . 1 . 2]" 1
804 1 37 GLN H 1 37 GLN HG3 . . 3.040 2.817 2.538 2.999 . 0 0 "[ . 1 . 2]" 1
805 1 37 GLN H 1 38 GLN H . . 3.670 2.663 2.540 2.837 . 0 0 "[ . 1 . 2]" 1
806 1 37 GLN H 1 38 GLN HG2 . . 5.500 4.593 4.387 4.867 . 0 0 "[ . 1 . 2]" 1
807 1 37 GLN HA 1 37 GLN HE21 . . 4.920 4.514 4.474 4.582 . 0 0 "[ . 1 . 2]" 1
808 1 37 GLN HA 1 37 GLN HG2 . . 3.770 2.506 2.437 2.584 . 0 0 "[ . 1 . 2]" 1
809 1 37 GLN HA 1 37 GLN HG3 . . 3.640 2.676 2.581 2.769 . 0 0 "[ . 1 . 2]" 1
810 1 37 GLN HA 1 40 LEU H . . 4.730 3.826 3.713 3.918 . 0 0 "[ . 1 . 2]" 1
811 1 37 GLN HA 1 41 HIS H . . 4.700 4.260 4.124 4.434 . 0 0 "[ . 1 . 2]" 1
812 1 37 GLN HA 1 42 CYS H . . 3.520 2.985 2.743 3.078 . 0 0 "[ . 1 . 2]" 1
813 1 37 GLN HA 1 42 CYS HA . . 5.500 5.207 5.004 5.318 . 0 0 "[ . 1 . 2]" 1
814 1 37 GLN HA 1 43 CYS H . . 5.500 5.534 5.370 5.581 0.081 11 0 "[ . 1 . 2]" 1
815 1 37 GLN HA 1 66 PHE QD . . 5.500 5.401 5.133 5.531 0.031 15 0 "[ . 1 . 2]" 1
816 1 37 GLN QB 1 37 GLN HE21 . . 3.810 2.000 1.925 2.169 . 0 0 "[ . 1 . 2]" 1
817 1 37 GLN QB 1 37 GLN HE22 . . 4.370 3.281 3.239 3.337 . 0 0 "[ . 1 . 2]" 1
818 1 37 GLN QB 1 38 GLN H . . 3.950 2.724 2.671 2.755 . 0 0 "[ . 1 . 2]" 1
819 1 37 GLN QB 1 58 SER H . . 5.500 4.841 4.544 5.195 . 0 0 "[ . 1 . 2]" 1
820 1 37 GLN QB 1 58 SER QB . . 4.530 2.194 1.878 3.404 . 0 0 "[ . 1 . 2]" 1
821 1 37 GLN QB 1 59 CYS H . . 4.870 4.317 4.095 4.478 . 0 0 "[ . 1 . 2]" 1
822 1 37 GLN QB 1 59 CYS HB2 . . 5.500 4.820 4.434 5.365 . 0 0 "[ . 1 . 2]" 1
823 1 37 GLN QB 1 59 CYS QB . . 4.760 4.533 4.255 4.874 0.114 7 0 "[ . 1 . 2]" 1
824 1 37 GLN QB 1 59 CYS HB3 . . 5.500 5.599 5.433 5.886 0.386 15 0 "[ . 1 . 2]" 1
825 1 37 GLN QB 1 60 SER H . . 5.500 5.512 5.309 5.673 0.173 4 0 "[ . 1 . 2]" 1
826 1 37 GLN QB 1 66 PHE QD . . 4.810 3.989 3.708 4.158 . 0 0 "[ . 1 . 2]" 1
827 1 37 GLN QB 1 66 PHE QE . . 5.380 4.619 4.270 4.801 . 0 0 "[ . 1 . 2]" 1
828 1 37 GLN HE21 1 38 GLN H . . 5.320 4.704 4.451 4.929 . 0 0 "[ . 1 . 2]" 1
829 1 37 GLN HE21 1 56 PRO QB . . 5.500 4.241 3.989 4.487 . 0 0 "[ . 1 . 2]" 1
830 1 37 GLN HE21 1 56 PRO HG2 . . 5.070 3.773 3.577 4.050 . 0 0 "[ . 1 . 2]" 1
831 1 37 GLN HE21 1 56 PRO QG . . 4.240 3.363 3.230 3.536 . 0 0 "[ . 1 . 2]" 1
832 1 37 GLN HE21 1 56 PRO HG3 . . 5.070 3.788 3.611 3.932 . 0 0 "[ . 1 . 2]" 1
833 1 37 GLN HE21 1 58 SER H . . 5.320 5.050 4.742 5.438 0.118 9 0 "[ . 1 . 2]" 1
834 1 37 GLN HE21 1 58 SER HB2 . . 5.190 3.182 2.371 4.729 . 0 0 "[ . 1 . 2]" 1
835 1 37 GLN HE21 1 58 SER HB3 . . 5.190 3.836 3.413 4.223 . 0 0 "[ . 1 . 2]" 1
836 1 37 GLN HE21 1 59 CYS H . . 5.190 5.284 4.884 5.475 0.285 8 0 "[ . 1 . 2]" 1
837 1 37 GLN HE22 1 56 PRO QB . . 5.210 3.267 2.847 3.576 . 0 0 "[ . 1 . 2]" 1
838 1 37 GLN HE22 1 56 PRO HG2 . . 4.510 2.456 2.221 2.888 . 0 0 "[ . 1 . 2]" 1
839 1 37 GLN HE22 1 56 PRO HG3 . . 4.510 2.117 1.944 2.289 . 0 0 "[ . 1 . 2]" 1
840 1 37 GLN HE22 1 59 CYS H . . 5.330 4.752 4.295 5.102 . 0 0 "[ . 1 . 2]" 1
841 1 37 GLN HG2 1 43 CYS HA . . 4.010 2.727 2.490 3.010 . 0 0 "[ . 1 . 2]" 1
842 1 37 GLN HG2 1 44 GLY H . . 4.210 3.240 3.033 3.428 . 0 0 "[ . 1 . 2]" 1
843 1 37 GLN HG3 1 44 GLY H . . 4.880 4.290 3.996 4.510 . 0 0 "[ . 1 . 2]" 1
844 1 38 GLN H 1 38 GLN HB2 . . 3.730 2.439 2.316 2.555 . 0 0 "[ . 1 . 2]" 1
845 1 38 GLN H 1 38 GLN QB . . 3.060 2.401 2.288 2.504 . 0 0 "[ . 1 . 2]" 1
846 1 38 GLN H 1 38 GLN HB3 . . 3.730 3.594 3.568 3.611 . 0 0 "[ . 1 . 2]" 1
847 1 38 GLN H 1 38 GLN HE21 . . 4.570 4.034 3.951 4.248 . 0 0 "[ . 1 . 2]" 1
848 1 38 GLN H 1 38 GLN HE22 . . 5.500 5.564 5.525 5.678 0.178 18 0 "[ . 1 . 2]" 1
849 1 38 GLN H 1 38 GLN HG2 . . 3.210 2.451 2.316 2.686 . 0 0 "[ . 1 . 2]" 1
850 1 38 GLN H 1 38 GLN HG3 . . 3.690 3.348 2.978 3.689 . 0 0 "[ . 1 . 2]" 1
851 1 38 GLN H 1 39 LYS H . . 3.610 2.669 2.592 2.769 . 0 0 "[ . 1 . 2]" 1
852 1 38 GLN H 1 40 LEU H . . 4.660 3.779 3.691 3.832 . 0 0 "[ . 1 . 2]" 1
853 1 38 GLN H 1 58 SER QB . . 5.340 3.236 2.909 3.897 . 0 0 "[ . 1 . 2]" 1
854 1 38 GLN H 1 66 PHE QE . . 5.500 5.231 5.107 5.332 . 0 0 "[ . 1 . 2]" 1
855 1 38 GLN HA 1 38 GLN HE21 . . 4.110 2.030 1.939 2.399 . 0 0 "[ . 1 . 2]" 1
856 1 38 GLN HA 1 38 GLN HE22 . . 3.990 3.548 3.256 3.978 . 0 0 "[ . 1 . 2]" 1
857 1 38 GLN HA 1 38 GLN HG2 . . 4.190 2.672 2.617 2.714 . 0 0 "[ . 1 . 2]" 1
858 1 38 GLN HA 1 38 GLN HG3 . . 4.230 3.763 3.712 3.801 . 0 0 "[ . 1 . 2]" 1
859 1 38 GLN HA 1 41 HIS H . . 5.010 3.156 3.057 3.295 . 0 0 "[ . 1 . 2]" 1
860 1 38 GLN HA 1 66 PHE QE . . 3.660 2.754 2.599 2.995 . 0 0 "[ . 1 . 2]" 1
861 1 38 GLN HA 1 66 PHE HZ . . 4.090 4.240 3.973 4.326 0.236 11 0 "[ . 1 . 2]" 1
862 1 38 GLN QB 1 38 GLN HE21 . . 4.050 3.013 2.709 3.342 . 0 0 "[ . 1 . 2]" 1
863 1 38 GLN QB 1 38 GLN HE22 . . 4.510 3.683 3.474 3.899 . 0 0 "[ . 1 . 2]" 1
864 1 38 GLN QB 1 39 LYS QD . . 5.060 5.163 5.045 5.287 0.227 17 0 "[ . 1 . 2]" 1
865 1 38 GLN QB 1 40 LEU H . . 5.340 4.357 4.238 4.426 . 0 0 "[ . 1 . 2]" 1
866 1 38 GLN HB2 1 38 GLN HE22 . . 5.300 5.002 4.898 5.113 . 0 0 "[ . 1 . 2]" 1
867 1 38 GLN HB2 1 39 LYS H . . 4.140 2.297 2.197 2.405 . 0 0 "[ . 1 . 2]" 1
868 1 38 GLN HB3 1 38 GLN HE22 . . 5.300 3.792 3.553 4.052 . 0 0 "[ . 1 . 2]" 1
869 1 38 GLN HB3 1 39 LYS H . . 4.140 3.311 3.118 3.454 . 0 0 "[ . 1 . 2]" 1
870 1 38 GLN HE21 1 38 GLN HG2 . . 3.410 2.417 2.254 2.495 . 0 0 "[ . 1 . 2]" 1
871 1 38 GLN HE21 1 58 SER HA . . 3.780 3.027 2.464 3.265 . 0 0 "[ . 1 . 2]" 1
872 1 38 GLN HE21 1 58 SER QB . . 4.210 3.681 2.980 3.932 . 0 0 "[ . 1 . 2]" 1
873 1 38 GLN HE21 1 60 SER H . . 4.900 4.395 4.031 4.538 . 0 0 "[ . 1 . 2]" 1
874 1 38 GLN HE21 1 61 LYS HA . . 5.500 5.192 4.964 5.378 . 0 0 "[ . 1 . 2]" 1
875 1 38 GLN HE21 1 61 LYS QB . . 4.720 3.245 2.956 3.444 . 0 0 "[ . 1 . 2]" 1
876 1 38 GLN HE21 1 61 LYS QG . . 5.110 3.925 3.215 5.141 0.031 12 0 "[ . 1 . 2]" 1
877 1 38 GLN HE21 1 66 PHE QE . . 3.550 1.990 1.938 2.294 . 0 0 "[ . 1 . 2]" 1
878 1 38 GLN HE21 1 66 PHE HZ . . 4.040 3.875 3.635 4.020 . 0 0 "[ . 1 . 2]" 1
879 1 38 GLN HE22 1 38 GLN HG2 . . 3.670 3.556 3.490 3.589 . 0 0 "[ . 1 . 2]" 1
880 1 38 GLN HE22 1 58 SER HA . . 3.390 3.159 2.777 3.432 0.042 14 0 "[ . 1 . 2]" 1
881 1 38 GLN HE22 1 58 SER HB2 . . 5.500 4.964 4.373 5.308 . 0 0 "[ . 1 . 2]" 1
882 1 38 GLN HE22 1 58 SER HB3 . . 5.500 5.234 4.644 5.538 0.038 9 0 "[ . 1 . 2]" 1
883 1 38 GLN HE22 1 60 SER H . . 4.690 4.023 3.825 4.224 . 0 0 "[ . 1 . 2]" 1
884 1 38 GLN HE22 1 61 LYS HA . . 5.100 3.565 3.376 3.809 . 0 0 "[ . 1 . 2]" 1
885 1 38 GLN HE22 1 61 LYS QB . . 4.620 2.158 1.919 2.866 . 0 0 "[ . 1 . 2]" 1
886 1 38 GLN HE22 1 61 LYS HD2 . . 5.320 4.426 2.991 5.086 . 0 0 "[ . 1 . 2]" 1
887 1 38 GLN HE22 1 61 LYS QD . . 4.680 3.903 2.951 4.496 . 0 0 "[ . 1 . 2]" 1
888 1 38 GLN HE22 1 61 LYS HD3 . . 5.320 4.500 3.753 5.010 . 0 0 "[ . 1 . 2]" 1
889 1 38 GLN HE22 1 61 LYS QG . . 4.880 2.785 2.029 4.109 . 0 0 "[ . 1 . 2]" 1
890 1 38 GLN HG2 1 39 LYS H . . 4.360 4.340 4.254 4.465 0.105 3 0 "[ . 1 . 2]" 1
891 1 38 GLN HG2 1 58 SER H . . 5.500 4.826 4.644 5.005 . 0 0 "[ . 1 . 2]" 1
892 1 38 GLN HG2 1 58 SER HA . . 4.630 2.510 2.195 3.009 . 0 0 "[ . 1 . 2]" 1
893 1 38 GLN HG2 1 58 SER HB2 . . 4.660 2.414 1.997 3.169 . 0 0 "[ . 1 . 2]" 1
894 1 38 GLN HG2 1 58 SER QB . . 4.080 2.167 1.928 2.281 . 0 0 "[ . 1 . 2]" 1
895 1 38 GLN HG2 1 58 SER HB3 . . 4.660 2.658 2.010 3.647 . 0 0 "[ . 1 . 2]" 1
896 1 38 GLN HG3 1 39 LYS H . . 4.590 4.462 4.210 4.694 0.104 3 0 "[ . 1 . 2]" 1
897 1 38 GLN HG3 1 58 SER HA . . 5.270 3.164 2.929 3.552 . 0 0 "[ . 1 . 2]" 1
898 1 38 GLN HG3 1 58 SER QB . . 4.420 2.794 2.319 2.999 . 0 0 "[ . 1 . 2]" 1
899 1 39 LYS H 1 39 LYS HB2 . . 3.750 3.547 3.515 3.565 . 0 0 "[ . 1 . 2]" 1
900 1 39 LYS H 1 39 LYS HB3 . . 2.830 2.294 2.219 2.349 . 0 0 "[ . 1 . 2]" 1
901 1 39 LYS H 1 39 LYS QD . . 4.380 3.765 3.659 3.909 . 0 0 "[ . 1 . 2]" 1
902 1 39 LYS H 1 39 LYS QE . . 4.980 5.007 4.808 5.171 0.191 9 0 "[ . 1 . 2]" 1
903 1 39 LYS H 1 39 LYS HG2 . . 4.130 2.594 2.461 2.785 . 0 0 "[ . 1 . 2]" 1
904 1 39 LYS H 1 39 LYS QG . . 3.460 2.553 2.429 2.732 . 0 0 "[ . 1 . 2]" 1
905 1 39 LYS H 1 39 LYS HG3 . . 4.130 3.809 3.649 3.953 . 0 0 "[ . 1 . 2]" 1
906 1 39 LYS H 1 40 LEU H . . 2.940 2.725 2.687 2.754 . 0 0 "[ . 1 . 2]" 1
907 1 39 LYS H 1 41 HIS H . . 4.250 3.861 3.791 3.947 . 0 0 "[ . 1 . 2]" 1
908 1 39 LYS HA 1 39 LYS QD . . 4.620 4.411 4.260 4.509 . 0 0 "[ . 1 . 2]" 1
909 1 39 LYS HA 1 39 LYS QE . . 5.420 4.678 4.284 5.426 0.006 17 0 "[ . 1 . 2]" 1
910 1 39 LYS HA 1 39 LYS HG2 . . 3.860 3.768 3.735 3.803 . 0 0 "[ . 1 . 2]" 1
911 1 39 LYS HA 1 39 LYS QG . . 3.380 3.315 3.290 3.329 . 0 0 "[ . 1 . 2]" 1
912 1 39 LYS HA 1 39 LYS HG3 . . 3.860 3.680 3.620 3.726 . 0 0 "[ . 1 . 2]" 1
913 1 39 LYS HA 1 41 HIS HD2 . . 5.000 3.894 3.445 4.243 . 0 0 "[ . 1 . 2]" 1
914 1 39 LYS HB2 1 39 LYS QD . . 3.500 2.732 2.319 2.966 . 0 0 "[ . 1 . 2]" 1
915 1 39 LYS HB2 1 39 LYS QE . . 4.710 2.664 2.068 3.998 . 0 0 "[ . 1 . 2]" 1
916 1 39 LYS HB2 1 40 LEU H . . 4.140 4.049 3.980 4.137 . 0 0 "[ . 1 . 2]" 1
917 1 39 LYS HB2 1 40 LEU QD . . 4.560 4.107 3.856 4.582 0.022 18 0 "[ . 1 . 2]" 1
918 1 39 LYS HB2 1 41 HIS H . . 5.500 5.519 5.384 5.668 0.168 16 0 "[ . 1 . 2]" 1
919 1 39 LYS HB3 1 39 LYS QD . . 3.440 2.321 2.256 2.404 . 0 0 "[ . 1 . 2]" 1
920 1 39 LYS HB3 1 39 LYS QE . . 4.860 3.497 2.932 4.034 . 0 0 "[ . 1 . 2]" 1
921 1 39 LYS HB3 1 40 LEU QD . . 5.160 4.700 4.044 5.274 0.114 3 0 "[ . 1 . 2]" 1
922 1 39 LYS QE 1 40 LEU H . . 5.500 4.739 4.164 5.116 . 0 0 "[ . 1 . 2]" 1
923 1 39 LYS QE 1 40 LEU QD . . 4.440 2.960 1.895 4.139 . 0 0 "[ . 1 . 2]" 1
924 1 39 LYS QG 1 40 LEU H . . 3.070 2.254 2.139 2.384 . 0 0 "[ . 1 . 2]" 1
925 1 39 LYS QG 1 40 LEU HB2 . . 4.860 3.277 2.629 3.557 . 0 0 "[ . 1 . 2]" 1
926 1 39 LYS QG 1 40 LEU QD . . 3.280 2.281 1.735 2.760 . 0 0 "[ . 1 . 2]" 1
927 1 39 LYS QG 1 41 HIS H . . 5.340 4.156 4.063 4.260 . 0 0 "[ . 1 . 2]" 1
928 1 39 LYS HG2 1 40 LEU HA . . 5.140 4.336 4.170 4.536 . 0 0 "[ . 1 . 2]" 1
929 1 39 LYS HG3 1 40 LEU HA . . 5.140 3.433 3.338 3.498 . 0 0 "[ . 1 . 2]" 1
930 1 40 LEU H 1 40 LEU HB2 . . 2.810 2.366 2.200 2.454 . 0 0 "[ . 1 . 2]" 1
931 1 40 LEU H 1 40 LEU HB3 . . 3.700 3.461 2.911 3.650 . 0 0 "[ . 1 . 2]" 1
932 1 40 LEU H 1 40 LEU QD . . 3.890 3.203 2.611 3.549 . 0 0 "[ . 1 . 2]" 1
933 1 40 LEU H 1 40 LEU HG . . 3.550 3.414 2.692 4.665 1.115 17 8 "[ * * 1** .-+**2]" 1
934 1 40 LEU H 1 41 HIS H . . 3.340 2.234 2.153 2.317 . 0 0 "[ . 1 . 2]" 1
935 1 40 LEU H 1 41 HIS HA . . 4.720 4.453 4.392 4.502 . 0 0 "[ . 1 . 2]" 1
936 1 40 LEU H 1 41 HIS HD2 . . 4.320 4.014 3.923 4.072 . 0 0 "[ . 1 . 2]" 1
937 1 40 LEU HA 1 40 LEU QD . . 2.760 2.185 1.941 2.780 0.020 16 0 "[ . 1 . 2]" 1
938 1 40 LEU HA 1 40 LEU HG . . 4.080 2.906 2.297 3.229 . 0 0 "[ . 1 . 2]" 1
939 1 40 LEU HA 1 41 HIS HD2 . . 3.710 2.968 2.712 3.445 . 0 0 "[ . 1 . 2]" 1
940 1 40 LEU HB2 1 41 HIS H . . 4.230 3.468 3.225 3.978 . 0 0 "[ . 1 . 2]" 1
941 1 40 LEU HB2 1 41 HIS HD2 . . 5.460 5.141 4.944 5.392 . 0 0 "[ . 1 . 2]" 1
942 1 40 LEU HB2 1 42 CYS H . . 4.300 3.523 2.896 4.794 0.494 18 0 "[ . 1 . 2]" 1
943 1 40 LEU HB3 1 41 HIS H . . 4.690 3.912 3.384 4.203 . 0 0 "[ . 1 . 2]" 1
944 1 40 LEU HB3 1 42 CYS H . . 4.780 3.693 2.669 4.284 . 0 0 "[ . 1 . 2]" 1
945 1 40 LEU QD 1 41 HIS H . . 4.870 4.302 4.138 4.443 . 0 0 "[ . 1 . 2]" 1
946 1 40 LEU QD 1 41 HIS HD2 . . 4.710 4.446 4.139 4.691 . 0 0 "[ . 1 . 2]" 1
947 1 40 LEU QD 1 42 CYS H . . 5.440 4.495 4.204 4.737 . 0 0 "[ . 1 . 2]" 1
948 1 40 LEU QD 1 70 CYS HA . . 4.420 3.258 2.691 3.689 . 0 0 "[ . 1 . 2]" 1
949 1 40 LEU QD 1 73 LYS H . . 4.870 4.470 3.798 4.967 0.097 7 0 "[ . 1 . 2]" 1
950 1 40 LEU QD 1 73 LYS HA . . 4.500 4.448 3.882 4.767 0.267 7 0 "[ . 1 . 2]" 1
951 1 40 LEU QD 1 74 VAL H . . 3.970 3.080 2.754 3.368 . 0 0 "[ . 1 . 2]" 1
952 1 40 LEU QD 1 74 VAL HA . . 3.770 2.716 2.353 3.023 . 0 0 "[ . 1 . 2]" 1
953 1 40 LEU QD 1 74 VAL HB . . 4.950 3.852 1.917 4.230 . 0 0 "[ . 1 . 2]" 1
954 1 40 LEU HG 1 41 HIS H . . 5.500 4.866 4.645 5.193 . 0 0 "[ . 1 . 2]" 1
955 1 40 LEU HG 1 73 LYS QB . . 4.660 4.076 2.057 5.151 0.491 7 0 "[ . 1 . 2]" 1
956 1 40 LEU HG 1 74 VAL HA . . 5.500 5.161 4.504 5.509 0.009 13 0 "[ . 1 . 2]" 1
957 1 40 LEU HG 1 74 VAL QG . . 5.500 3.986 3.723 4.489 . 0 0 "[ . 1 . 2]" 1
958 1 40 LEU HG 1 77 LEU MD2 . . 5.420 3.987 3.254 4.506 . 0 0 "[ . 1 . 2]" 1
959 1 41 HIS H 1 41 HIS HA . . 2.810 2.277 2.274 2.280 . 0 0 "[ . 1 . 2]" 1
960 1 41 HIS H 1 41 HIS HB2 . . 4.130 3.581 3.449 3.659 . 0 0 "[ . 1 . 2]" 1
961 1 41 HIS H 1 41 HIS HB3 . . 4.130 4.026 3.994 4.038 . 0 0 "[ . 1 . 2]" 1
962 1 41 HIS H 1 41 HIS HD2 . . 3.270 2.947 2.669 3.095 . 0 0 "[ . 1 . 2]" 1
963 1 41 HIS H 1 42 CYS H . . 3.570 2.760 2.618 2.961 . 0 0 "[ . 1 . 2]" 1
964 1 41 HIS H 1 66 PHE QE . . 4.640 4.501 4.306 4.653 0.013 8 0 "[ . 1 . 2]" 1
965 1 41 HIS H 1 66 PHE HZ . . 5.470 5.268 5.006 5.472 0.002 18 0 "[ . 1 . 2]" 1
966 1 41 HIS HA 1 42 CYS H . . 3.270 2.787 2.602 2.956 . 0 0 "[ . 1 . 2]" 1
967 1 41 HIS HA 1 66 PHE QE . . 3.810 2.941 2.748 3.144 . 0 0 "[ . 1 . 2]" 1
968 1 41 HIS HA 1 66 PHE HZ . . 3.940 3.456 3.029 3.833 . 0 0 "[ . 1 . 2]" 1
969 1 41 HIS QB 1 42 CYS H . . 4.340 3.856 3.772 3.911 . 0 0 "[ . 1 . 2]" 1
970 1 41 HIS QB 1 66 PHE QD . . 4.710 3.239 2.941 3.610 . 0 0 "[ . 1 . 2]" 1
971 1 41 HIS QB 1 66 PHE QE . . 4.660 2.990 2.548 3.358 . 0 0 "[ . 1 . 2]" 1
972 1 41 HIS QB 1 66 PHE HZ . . 4.260 3.739 3.160 4.264 0.004 4 0 "[ . 1 . 2]" 1
973 1 41 HIS HB2 1 42 CYS H . . 5.040 4.223 4.049 4.370 . 0 0 "[ . 1 . 2]" 1
974 1 41 HIS HB3 1 42 CYS H . . 5.040 4.463 4.409 4.503 . 0 0 "[ . 1 . 2]" 1
975 1 41 HIS HD2 1 42 CYS H . . 5.390 5.215 4.987 5.396 0.006 18 0 "[ . 1 . 2]" 1
976 1 42 CYS H 1 43 CYS H . . 5.500 4.465 4.415 4.528 . 0 0 "[ . 1 . 2]" 1
977 1 42 CYS H 1 73 LYS QG . . 5.500 4.797 4.388 5.277 . 0 0 "[ . 1 . 2]" 1
978 1 42 CYS HA 1 43 CYS H . . 3.420 2.428 2.375 2.502 . 0 0 "[ . 1 . 2]" 1
979 1 42 CYS HA 1 66 PHE HB2 . . 4.270 3.294 2.781 3.860 . 0 0 "[ . 1 . 2]" 1
980 1 42 CYS HA 1 66 PHE QB . . 3.530 2.311 1.956 2.758 . 0 0 "[ . 1 . 2]" 1
981 1 42 CYS HA 1 66 PHE HB3 . . 4.270 2.368 1.998 2.836 . 0 0 "[ . 1 . 2]" 1
982 1 42 CYS HA 1 66 PHE QD . . 4.690 3.921 3.666 4.158 . 0 0 "[ . 1 . 2]" 1
983 1 42 CYS HA 1 68 GLU H . . 4.200 3.669 3.206 4.200 . 7 0 "[ . 1 . 2]" 1
984 1 42 CYS HA 1 70 CYS HA . . 5.500 5.124 4.795 5.502 0.002 16 0 "[ . 1 . 2]" 1
985 1 42 CYS HA 1 73 LYS QD . . 5.460 4.965 4.192 5.468 0.008 4 0 "[ . 1 . 2]" 1
986 1 42 CYS HA 1 73 LYS QG . . 4.690 3.984 3.457 4.492 . 0 0 "[ . 1 . 2]" 1
987 1 42 CYS QB 1 73 LYS H . . 5.340 4.490 4.169 4.911 . 0 0 "[ . 1 . 2]" 1
988 1 42 CYS QB 1 73 LYS QB . . 4.070 3.092 2.555 3.618 . 0 0 "[ . 1 . 2]" 1
989 1 42 CYS QB 1 73 LYS QD . . 4.300 3.559 3.079 3.997 . 0 0 "[ . 1 . 2]" 1
990 1 42 CYS QB 1 73 LYS QG . . 3.630 2.090 1.962 2.376 . 0 0 "[ . 1 . 2]" 1
991 1 42 CYS HB2 1 43 CYS H . . 3.780 2.387 2.215 2.522 . 0 0 "[ . 1 . 2]" 1
992 1 42 CYS HB2 1 70 CYS HA . . 3.940 2.857 2.489 3.262 . 0 0 "[ . 1 . 2]" 1
993 1 42 CYS HB2 1 73 LYS QB . . 4.680 4.019 3.333 4.687 0.007 12 0 "[ . 1 . 2]" 1
994 1 42 CYS HB2 1 73 LYS QD . . 5.060 4.949 4.445 5.480 0.420 11 0 "[ . 1 . 2]" 1
995 1 42 CYS HB2 1 73 LYS QG . . 4.220 3.287 2.894 3.666 . 0 0 "[ . 1 . 2]" 1
996 1 42 CYS HB3 1 43 CYS H . . 3.780 3.742 3.593 3.857 0.077 19 0 "[ . 1 . 2]" 1
997 1 42 CYS HB3 1 70 CYS HA . . 3.940 3.112 2.880 3.439 . 0 0 "[ . 1 . 2]" 1
998 1 42 CYS HB3 1 73 LYS QB . . 4.680 3.215 2.639 3.765 . 0 0 "[ . 1 . 2]" 1
999 1 42 CYS HB3 1 73 LYS QD . . 5.060 3.655 3.139 4.157 . 0 0 "[ . 1 . 2]" 1
1000 1 42 CYS HB3 1 73 LYS QG . . 4.220 2.115 1.978 2.411 . 0 0 "[ . 1 . 2]" 1
1001 1 43 CYS H 1 43 CYS HB2 . . 4.060 2.840 2.550 3.112 . 0 0 "[ . 1 . 2]" 1
1002 1 43 CYS H 1 43 CYS QB . . 3.210 2.547 2.501 2.674 . 0 0 "[ . 1 . 2]" 1
1003 1 43 CYS H 1 43 CYS HB3 . . 4.060 3.187 2.636 3.808 . 0 0 "[ . 1 . 2]" 1
1004 1 43 CYS H 1 44 GLY H . . 5.070 4.425 4.363 4.458 . 0 0 "[ . 1 . 2]" 1
1005 1 43 CYS H 1 66 PHE HB2 . . 5.430 3.766 3.481 4.064 . 0 0 "[ . 1 . 2]" 1
1006 1 43 CYS H 1 66 PHE QB . . 4.750 3.329 2.833 3.697 . 0 0 "[ . 1 . 2]" 1
1007 1 43 CYS H 1 66 PHE HB3 . . 5.430 3.743 2.996 4.250 . 0 0 "[ . 1 . 2]" 1
1008 1 43 CYS H 1 66 PHE QD . . 5.080 4.856 4.571 5.077 . 0 0 "[ . 1 . 2]" 1
1009 1 43 CYS H 1 68 GLU H . . 5.500 3.907 3.279 4.856 . 0 0 "[ . 1 . 2]" 1
1010 1 43 CYS H 1 69 GLY HA2 . . 3.880 3.354 2.897 4.059 0.179 2 0 "[ . 1 . 2]" 1
1011 1 43 CYS H 1 70 CYS H . . 4.930 4.736 4.456 5.217 0.287 2 0 "[ . 1 . 2]" 1
1012 1 43 CYS H 1 70 CYS HA . . 5.500 5.072 4.814 5.361 . 0 0 "[ . 1 . 2]" 1
1013 1 43 CYS H 1 73 LYS QG . . 5.500 5.144 4.696 5.508 0.008 16 0 "[ . 1 . 2]" 1
1014 1 43 CYS HA 1 44 GLY H . . 3.370 2.212 2.164 2.254 . 0 0 "[ . 1 . 2]" 1
1015 1 43 CYS HA 1 44 GLY HA3 . . 4.680 4.484 4.437 4.519 . 0 0 "[ . 1 . 2]" 1
1016 1 43 CYS HA 1 66 PHE QD . . 4.650 4.397 4.024 4.682 0.032 13 0 "[ . 1 . 2]" 1
1017 1 43 CYS QB 1 48 PRO HA . . 4.600 2.862 2.279 3.428 . 0 0 "[ . 1 . 2]" 1
1018 1 43 CYS QB 1 48 PRO HB2 . . 4.320 3.744 3.344 4.200 . 0 0 "[ . 1 . 2]" 1
1019 1 43 CYS QB 1 48 PRO HB3 . . 3.660 2.220 1.912 2.604 . 0 0 "[ . 1 . 2]" 1
1020 1 43 CYS QB 1 48 PRO HG2 . . 4.970 4.645 4.233 5.119 0.149 7 0 "[ . 1 . 2]" 1
1021 1 43 CYS QB 1 48 PRO HG3 . . 4.430 3.635 3.265 4.052 . 0 0 "[ . 1 . 2]" 1
1022 1 43 CYS QB 1 59 CYS HA . . 4.980 3.493 2.841 4.301 . 0 0 "[ . 1 . 2]" 1
1023 1 43 CYS QB 1 59 CYS QB . . 3.970 3.224 2.573 3.752 . 0 0 "[ . 1 . 2]" 1
1024 1 43 CYS QB 1 66 PHE QB . . 4.520 2.912 1.956 4.034 . 0 0 "[ . 1 . 2]" 1
1025 1 43 CYS QB 1 66 PHE QD . . 5.340 4.220 3.242 5.139 . 0 0 "[ . 1 . 2]" 1
1026 1 43 CYS HB2 1 44 GLY H . . 5.360 4.098 3.888 4.320 . 0 0 "[ . 1 . 2]" 1
1027 1 43 CYS HB2 1 48 PRO HB2 . . 5.050 4.661 3.732 5.350 0.300 6 0 "[ . 1 . 2]" 1
1028 1 43 CYS HB2 1 48 PRO HB3 . . 4.340 2.997 1.997 3.782 . 0 0 "[ . 1 . 2]" 1
1029 1 43 CYS HB2 1 48 PRO HG3 . . 5.210 4.476 3.426 5.498 0.288 7 0 "[ . 1 . 2]" 1
1030 1 43 CYS HB3 1 44 GLY H . . 5.360 3.519 2.847 4.055 . 0 0 "[ . 1 . 2]" 1
1031 1 43 CYS HB3 1 48 PRO HB2 . . 5.050 3.971 3.533 4.391 . 0 0 "[ . 1 . 2]" 1
1032 1 43 CYS HB3 1 48 PRO HB3 . . 4.340 2.377 1.996 2.654 . 0 0 "[ . 1 . 2]" 1
1033 1 43 CYS HB3 1 48 PRO HG3 . . 5.210 4.157 3.782 4.644 . 0 0 "[ . 1 . 2]" 1
1034 1 44 GLY H 1 45 ALA H . . 5.500 4.580 4.482 4.646 . 0 0 "[ . 1 . 2]" 1
1035 1 44 GLY H 1 48 PRO HB3 . . 5.500 5.120 4.909 5.309 . 0 0 "[ . 1 . 2]" 1
1036 1 44 GLY H 1 51 TYR QD . . 4.570 3.728 3.402 3.980 . 0 0 "[ . 1 . 2]" 1
1037 1 44 GLY H 1 55 PRO HB3 . . 5.500 5.170 4.673 5.520 0.020 10 0 "[ . 1 . 2]" 1
1038 1 44 GLY H 1 56 PRO QD . . 5.350 4.096 3.776 4.361 . 0 0 "[ . 1 . 2]" 1
1039 1 44 GLY H 1 56 PRO HG2 . . 5.500 4.554 4.186 4.788 . 0 0 "[ . 1 . 2]" 1
1040 1 44 GLY H 1 56 PRO HG3 . . 5.500 4.792 4.241 4.980 . 0 0 "[ . 1 . 2]" 1
1041 1 44 GLY HA2 1 45 ALA MB . . 4.780 4.187 4.084 4.261 . 0 0 "[ . 1 . 2]" 1
1042 1 44 GLY HA2 1 46 ASP H . . 5.440 5.186 4.943 5.406 . 0 0 "[ . 1 . 2]" 1
1043 1 44 GLY HA2 1 47 SER H . . 5.100 4.835 4.609 5.058 . 0 0 "[ . 1 . 2]" 1
1044 1 44 GLY HA2 1 50 ASP H . . 5.500 5.513 5.473 5.553 0.053 16 0 "[ . 1 . 2]" 1
1045 1 44 GLY HA2 1 50 ASP HB2 . . 5.080 3.670 3.579 3.768 . 0 0 "[ . 1 . 2]" 1
1046 1 44 GLY HA2 1 50 ASP QB . . 4.290 3.550 3.466 3.661 . 0 0 "[ . 1 . 2]" 1
1047 1 44 GLY HA2 1 50 ASP HB3 . . 5.080 4.723 4.538 4.970 . 0 0 "[ . 1 . 2]" 1
1048 1 44 GLY HA3 1 45 ALA MB . . 4.430 4.329 4.235 4.422 . 0 0 "[ . 1 . 2]" 1
1049 1 44 GLY HA3 1 46 ASP H . . 4.730 4.352 4.185 4.520 . 0 0 "[ . 1 . 2]" 1
1050 1 44 GLY HA3 1 47 SER H . . 4.190 3.422 3.267 3.574 . 0 0 "[ . 1 . 2]" 1
1051 1 44 GLY HA3 1 48 PRO HA . . 4.900 3.110 2.972 3.266 . 0 0 "[ . 1 . 2]" 1
1052 1 44 GLY HA3 1 50 ASP H . . 4.450 4.160 4.058 4.294 . 0 0 "[ . 1 . 2]" 1
1053 1 44 GLY HA3 1 51 TYR QD . . 5.500 3.926 3.695 4.215 . 0 0 "[ . 1 . 2]" 1
1054 1 45 ALA H 1 45 ALA MB . . 3.010 2.234 2.034 2.283 . 0 0 "[ . 1 . 2]" 1
1055 1 45 ALA H 1 46 ASP H . . 3.480 2.843 2.734 2.960 . 0 0 "[ . 1 . 2]" 1
1056 1 45 ALA H 1 47 SER H . . 3.570 3.337 3.111 3.620 0.050 3 0 "[ . 1 . 2]" 1
1057 1 45 ALA H 1 50 ASP H . . 5.260 5.217 4.958 5.467 0.207 10 0 "[ . 1 . 2]" 1
1058 1 45 ALA H 1 50 ASP HB2 . . 4.100 3.240 3.019 3.470 . 0 0 "[ . 1 . 2]" 1
1059 1 45 ALA H 1 50 ASP QB . . 3.590 3.056 2.851 3.293 . 0 0 "[ . 1 . 2]" 1
1060 1 45 ALA H 1 50 ASP HB3 . . 4.100 3.743 3.501 4.104 0.004 8 0 "[ . 1 . 2]" 1
1061 1 45 ALA H 1 70 CYS HB2 . . 4.950 4.754 4.416 4.953 0.003 5 0 "[ . 1 . 2]" 1
1062 1 45 ALA H 1 71 ILE MD . . 4.910 4.808 4.511 4.917 0.007 10 0 "[ . 1 . 2]" 1
1063 1 45 ALA HA 1 70 CYS H . . 4.110 3.844 3.509 4.061 . 0 0 "[ . 1 . 2]" 1
1064 1 45 ALA HA 1 70 CYS HB3 . . 4.200 3.743 3.358 3.976 . 0 0 "[ . 1 . 2]" 1
1065 1 45 ALA HA 1 71 ILE H . . 4.050 3.904 3.598 4.053 0.003 5 0 "[ . 1 . 2]" 1
1066 1 45 ALA HA 1 71 ILE MD . . 4.500 3.778 3.448 3.957 . 0 0 "[ . 1 . 2]" 1
1067 1 45 ALA HA 1 71 ILE HG12 . . 5.100 4.712 4.453 4.816 . 0 0 "[ . 1 . 2]" 1
1068 1 45 ALA HA 1 71 ILE HG13 . . 5.130 3.393 3.119 3.546 . 0 0 "[ . 1 . 2]" 1
1069 1 45 ALA MB 1 46 ASP H . . 3.190 2.038 1.949 2.242 . 0 0 "[ . 1 . 2]" 1
1070 1 45 ALA MB 1 46 ASP HA . . 4.910 3.940 3.823 3.964 . 0 0 "[ . 1 . 2]" 1
1071 1 45 ALA MB 1 46 ASP HB2 . . 4.770 3.578 3.203 4.796 0.026 9 0 "[ . 1 . 2]" 1
1072 1 45 ALA MB 1 46 ASP HB3 . . 4.770 4.105 3.154 4.546 . 0 0 "[ . 1 . 2]" 1
1073 1 45 ALA MB 1 47 SER H . . 4.180 3.709 3.617 3.884 . 0 0 "[ . 1 . 2]" 1
1074 1 45 ALA MB 1 70 CYS H . . 5.050 4.715 4.532 4.841 . 0 0 "[ . 1 . 2]" 1
1075 1 45 ALA MB 1 71 ILE HA . . 5.500 5.285 5.030 5.488 . 0 0 "[ . 1 . 2]" 1
1076 1 45 ALA MB 1 71 ILE MD . . 3.220 2.383 2.033 2.668 . 0 0 "[ . 1 . 2]" 1
1077 1 45 ALA MB 1 71 ILE HG12 . . 4.930 3.602 3.246 3.824 . 0 0 "[ . 1 . 2]" 1
1078 1 45 ALA MB 1 71 ILE HG13 . . 5.370 3.047 2.778 3.252 . 0 0 "[ . 1 . 2]" 1
1079 1 46 ASP H 1 46 ASP HB2 . . 3.580 2.766 2.350 3.662 0.082 10 0 "[ . 1 . 2]" 1
1080 1 46 ASP H 1 46 ASP QB . . 2.960 2.479 2.285 2.981 0.021 9 0 "[ . 1 . 2]" 1
1081 1 46 ASP H 1 46 ASP HB3 . . 3.580 2.913 2.458 3.186 . 0 0 "[ . 1 . 2]" 1
1082 1 46 ASP H 1 47 SER H . . 2.970 2.083 2.035 2.139 . 0 0 "[ . 1 . 2]" 1
1083 1 46 ASP H 1 47 SER QB . . 5.500 4.657 4.189 5.025 . 0 0 "[ . 1 . 2]" 1
1084 1 46 ASP H 1 50 ASP H . . 5.500 5.497 5.454 5.554 0.054 10 0 "[ . 1 . 2]" 1
1085 1 46 ASP H 1 50 ASP HB2 . . 5.500 4.482 4.258 4.690 . 0 0 "[ . 1 . 2]" 1
1086 1 46 ASP H 1 50 ASP QB . . 4.620 4.113 3.928 4.277 . 0 0 "[ . 1 . 2]" 1
1087 1 46 ASP H 1 50 ASP HB3 . . 5.500 4.789 4.606 4.958 . 0 0 "[ . 1 . 2]" 1
1088 1 46 ASP H 1 70 CYS HB2 . . 5.310 5.062 4.828 5.232 . 0 0 "[ . 1 . 2]" 1
1089 1 46 ASP H 1 71 ILE MD . . 4.130 2.926 2.778 3.053 . 0 0 "[ . 1 . 2]" 1
1090 1 46 ASP HA 1 69 GLY HA3 . . 4.150 3.448 3.181 4.039 . 0 0 "[ . 1 . 2]" 1
1091 1 46 ASP HA 1 70 CYS HB2 . . 5.210 4.678 4.461 4.909 . 0 0 "[ . 1 . 2]" 1
1092 1 46 ASP HA 1 71 ILE HB . . 4.590 3.142 2.814 3.545 . 0 0 "[ . 1 . 2]" 1
1093 1 46 ASP HA 1 71 ILE MD . . 3.980 2.396 2.028 2.713 . 0 0 "[ . 1 . 2]" 1
1094 1 46 ASP HA 1 71 ILE MG . . 4.870 4.516 4.287 4.806 . 0 0 "[ . 1 . 2]" 1
1095 1 46 ASP QB 1 47 SER H . . 3.350 3.258 3.078 3.500 0.150 3 0 "[ . 1 . 2]" 1
1096 1 46 ASP HB2 1 47 SER H . . 4.220 3.946 3.693 4.234 0.014 10 0 "[ . 1 . 2]" 1
1097 1 46 ASP HB2 1 71 ILE MD . . 5.080 2.193 1.889 3.375 . 0 0 "[ . 1 . 2]" 1
1098 1 46 ASP HB3 1 47 SER H . . 4.220 3.523 3.216 4.241 0.021 3 0 "[ . 1 . 2]" 1
1099 1 46 ASP HB3 1 71 ILE MD . . 5.080 3.041 1.911 3.515 . 0 0 "[ . 1 . 2]" 1
1100 1 47 SER H 1 47 SER QB . . 3.580 3.197 2.823 3.455 . 0 0 "[ . 1 . 2]" 1
1101 1 47 SER H 1 48 PRO HD3 . . 4.870 4.816 4.772 4.893 0.023 16 0 "[ . 1 . 2]" 1
1102 1 47 SER H 1 50 ASP H . . 4.380 4.196 4.082 4.286 . 0 0 "[ . 1 . 2]" 1
1103 1 47 SER H 1 50 ASP QB . . 4.080 3.762 3.579 3.946 . 0 0 "[ . 1 . 2]" 1
1104 1 47 SER H 1 69 GLY HA2 . . 4.650 4.311 3.893 4.656 0.006 8 0 "[ . 1 . 2]" 1
1105 1 47 SER H 1 69 GLY HA3 . . 5.330 4.816 4.081 5.335 0.005 10 0 "[ . 1 . 2]" 1
1106 1 47 SER H 1 70 CYS HB2 . . 5.500 5.487 5.337 5.535 0.035 3 0 "[ . 1 . 2]" 1
1107 1 47 SER H 1 71 ILE MD . . 4.730 4.425 4.270 4.626 . 0 0 "[ . 1 . 2]" 1
1108 1 47 SER HA 1 48 PRO HD2 . . 3.590 2.518 2.512 2.536 . 0 0 "[ . 1 . 2]" 1
1109 1 47 SER HA 1 48 PRO HD3 . . 3.400 2.351 2.347 2.360 . 0 0 "[ . 1 . 2]" 1
1110 1 47 SER HA 1 49 LYS H . . 4.420 4.160 4.092 4.242 . 0 0 "[ . 1 . 2]" 1
1111 1 47 SER HA 1 69 GLY HA2 . . 4.500 3.206 2.914 3.514 . 0 0 "[ . 1 . 2]" 1
1112 1 47 SER HA 1 69 GLY HA3 . . 4.750 3.893 3.411 4.253 . 0 0 "[ . 1 . 2]" 1
1113 1 47 SER QB 1 48 PRO HD2 . . 2.710 2.014 1.964 2.109 . 0 0 "[ . 1 . 2]" 1
1114 1 47 SER QB 1 48 PRO HD3 . . 3.670 3.259 3.190 3.445 . 0 0 "[ . 1 . 2]" 1
1115 1 47 SER QB 1 48 PRO HG2 . . 4.800 3.716 3.570 4.042 . 0 0 "[ . 1 . 2]" 1
1116 1 47 SER QB 1 49 LYS H . . 3.930 2.562 2.243 3.380 . 0 0 "[ . 1 . 2]" 1
1117 1 47 SER QB 1 49 LYS QG . . 4.430 3.173 2.010 4.636 0.206 19 0 "[ . 1 . 2]" 1
1118 1 48 PRO HA 1 50 ASP H . . 4.650 3.644 3.543 3.707 . 0 0 "[ . 1 . 2]" 1
1119 1 48 PRO HA 1 50 ASP QB . . 5.000 4.088 4.039 4.163 . 0 0 "[ . 1 . 2]" 1
1120 1 48 PRO HA 1 51 TYR QD . . 3.610 3.215 2.971 3.366 . 0 0 "[ . 1 . 2]" 1
1121 1 48 PRO HA 1 65 GLN HE22 . . 5.400 5.435 5.058 5.511 0.111 12 0 "[ . 1 . 2]" 1
1122 1 48 PRO HB2 1 65 GLN HE21 . . 4.050 3.974 3.418 4.421 0.371 4 0 "[ . 1 . 2]" 1
1123 1 48 PRO HB2 1 65 GLN HE22 . . 3.570 3.675 3.282 3.876 0.306 8 0 "[ . 1 . 2]" 1
1124 1 48 PRO HB3 1 65 GLN HE21 . . 4.500 3.298 3.186 3.590 . 0 0 "[ . 1 . 2]" 1
1125 1 48 PRO HD2 1 49 LYS H . . 3.520 2.664 2.646 2.690 . 0 0 "[ . 1 . 2]" 1
1126 1 48 PRO HD2 1 50 ASP H . . 5.130 4.695 4.575 4.794 . 0 0 "[ . 1 . 2]" 1
1127 1 48 PRO HD2 1 65 GLN HE22 . . 5.500 5.350 4.841 5.507 0.007 19 0 "[ . 1 . 2]" 1
1128 1 48 PRO HD3 1 49 LYS H . . 4.310 3.849 3.836 3.864 . 0 0 "[ . 1 . 2]" 1
1129 1 48 PRO HD3 1 65 GLN HE21 . . 5.410 5.417 5.378 5.431 0.021 8 0 "[ . 1 . 2]" 1
1130 1 48 PRO HD3 1 65 GLN HE22 . . 4.910 4.507 4.058 4.681 . 0 0 "[ . 1 . 2]" 1
1131 1 48 PRO HD3 1 67 THR HA . . 5.500 3.957 3.430 4.433 . 0 0 "[ . 1 . 2]" 1
1132 1 48 PRO HG2 1 49 LYS H . . 3.160 2.540 2.390 2.670 . 0 0 "[ . 1 . 2]" 1
1133 1 48 PRO HG3 1 49 LYS H . . 4.910 4.007 3.896 4.105 . 0 0 "[ . 1 . 2]" 1
1134 1 48 PRO HG3 1 67 THR HA . . 3.950 3.153 2.259 3.792 . 0 0 "[ . 1 . 2]" 1
1135 1 49 LYS H 1 49 LYS QB . . 2.910 2.412 2.175 2.539 . 0 0 "[ . 1 . 2]" 1
1136 1 49 LYS H 1 49 LYS QD . . 5.120 3.817 1.875 4.598 . 0 0 "[ . 1 . 2]" 1
1137 1 49 LYS H 1 49 LYS QE . . 5.050 4.585 3.935 5.034 . 0 0 "[ . 1 . 2]" 1
1138 1 49 LYS H 1 49 LYS HG2 . . 3.550 2.731 2.047 3.868 0.318 6 0 "[ . 1 . 2]" 1
1139 1 49 LYS H 1 49 LYS HG3 . . 3.550 3.044 2.077 3.586 0.036 6 0 "[ . 1 . 2]" 1
1140 1 49 LYS H 1 50 ASP QB . . 5.200 4.678 4.602 4.769 . 0 0 "[ . 1 . 2]" 1
1141 1 49 LYS H 1 51 TYR H . . 4.810 4.425 4.349 4.483 . 0 0 "[ . 1 . 2]" 1
1142 1 49 LYS HA 1 49 LYS QD . . 4.310 2.933 2.094 4.150 . 0 0 "[ . 1 . 2]" 1
1143 1 49 LYS HA 1 49 LYS QE . . 5.500 4.435 3.553 5.442 . 0 0 "[ . 1 . 2]" 1
1144 1 49 LYS HA 1 51 TYR H . . 3.800 3.612 3.506 3.735 . 0 0 "[ . 1 . 2]" 1
1145 1 49 LYS HA 1 52 GLY H . . 4.010 2.887 2.828 2.950 . 0 0 "[ . 1 . 2]" 1
1146 1 49 LYS QB 1 49 LYS QE . . 4.500 3.203 2.080 3.799 . 0 0 "[ . 1 . 2]" 1
1147 1 49 LYS QB 1 50 ASP H . . 3.830 3.246 3.008 3.693 . 0 0 "[ . 1 . 2]" 1
1148 1 49 LYS QB 1 51 TYR H . . 4.820 4.655 4.559 4.742 . 0 0 "[ . 1 . 2]" 1
1149 1 49 LYS QB 1 52 GLY H . . 4.390 4.159 4.079 4.274 . 0 0 "[ . 1 . 2]" 1
1150 1 49 LYS QB 1 52 GLY HA2 . . 5.340 4.466 4.342 4.638 . 0 0 "[ . 1 . 2]" 1
1151 1 49 LYS HB2 1 50 ASP H . . 4.490 3.462 3.106 4.213 . 0 0 "[ . 1 . 2]" 1
1152 1 49 LYS HB2 1 51 TYR H . . 5.500 5.170 5.085 5.354 . 0 0 "[ . 1 . 2]" 1
1153 1 49 LYS HB3 1 50 ASP H . . 4.490 4.039 3.754 4.202 . 0 0 "[ . 1 . 2]" 1
1154 1 49 LYS HB3 1 51 TYR H . . 5.500 5.296 5.065 5.534 0.034 5 0 "[ . 1 . 2]" 1
1155 1 49 LYS QD 1 50 ASP H . . 5.500 4.552 3.049 5.505 0.005 4 0 "[ . 1 . 2]" 1
1156 1 49 LYS QD 1 52 GLY H . . 5.500 4.745 4.336 5.476 . 0 0 "[ . 1 . 2]" 1
1157 1 49 LYS QG 1 50 ASP H . . 4.950 3.744 2.303 4.710 . 0 0 "[ . 1 . 2]" 1
1158 1 50 ASP H 1 50 ASP HB2 . . 3.660 2.449 2.347 2.516 . 0 0 "[ . 1 . 2]" 1
1159 1 50 ASP H 1 50 ASP QB . . 2.860 2.410 2.316 2.470 . 0 0 "[ . 1 . 2]" 1
1160 1 50 ASP H 1 50 ASP HB3 . . 3.660 3.585 3.567 3.592 . 0 0 "[ . 1 . 2]" 1
1161 1 50 ASP H 1 51 TYR H . . 3.510 2.700 2.617 2.744 . 0 0 "[ . 1 . 2]" 1
1162 1 50 ASP H 1 51 TYR QD . . 4.810 4.878 4.722 4.949 0.139 4 0 "[ . 1 . 2]" 1
1163 1 50 ASP QB 1 51 TYR H . . 3.770 2.871 2.778 2.953 . 0 0 "[ . 1 . 2]" 1
1164 1 50 ASP QB 1 52 GLY H . . 4.730 4.646 4.606 4.695 . 0 0 "[ . 1 . 2]" 1
1165 1 50 ASP HB2 1 51 TYR H . . 4.340 2.964 2.851 3.077 . 0 0 "[ . 1 . 2]" 1
1166 1 50 ASP HB2 1 52 GLY H . . 5.500 5.007 4.939 5.096 . 0 0 "[ . 1 . 2]" 1
1167 1 50 ASP HB3 1 51 TYR H . . 4.340 3.845 3.793 3.908 . 0 0 "[ . 1 . 2]" 1
1168 1 50 ASP HB3 1 52 GLY H . . 5.500 5.506 5.491 5.523 0.023 5 0 "[ . 1 . 2]" 1
1169 1 51 TYR H 1 51 TYR HB2 . . 2.970 2.362 2.312 2.396 . 0 0 "[ . 1 . 2]" 1
1170 1 51 TYR H 1 51 TYR HB3 . . 3.790 3.601 3.576 3.620 . 0 0 "[ . 1 . 2]" 1
1171 1 51 TYR H 1 51 TYR QD . . 3.230 3.256 3.145 3.308 0.078 3 0 "[ . 1 . 2]" 1
1172 1 51 TYR H 1 52 GLY H . . 3.350 2.264 2.208 2.331 . 0 0 "[ . 1 . 2]" 1
1173 1 51 TYR H 1 52 GLY HA2 . . 4.830 4.654 4.603 4.712 . 0 0 "[ . 1 . 2]" 1
1174 1 51 TYR H 1 55 PRO HA . . 5.180 5.152 5.010 5.246 0.066 9 0 "[ . 1 . 2]" 1
1175 1 51 TYR HA 1 51 TYR QD . . 2.940 2.251 2.177 2.359 . 0 0 "[ . 1 . 2]" 1
1176 1 51 TYR HB2 1 52 GLY H . . 4.530 3.085 3.045 3.132 . 0 0 "[ . 1 . 2]" 1
1177 1 51 TYR HB2 1 54 ASN H . . 4.140 3.997 3.773 4.411 0.271 10 0 "[ . 1 . 2]" 1
1178 1 51 TYR HB2 1 55 PRO HA . . 3.960 2.857 2.673 2.953 . 0 0 "[ . 1 . 2]" 1
1179 1 51 TYR HB2 1 55 PRO HB3 . . 5.330 2.871 2.644 3.202 . 0 0 "[ . 1 . 2]" 1
1180 1 51 TYR HB2 1 56 PRO QD . . 4.530 3.776 3.574 3.919 . 0 0 "[ . 1 . 2]" 1
1181 1 51 TYR HB3 1 52 GLY H . . 4.860 3.891 3.816 3.967 . 0 0 "[ . 1 . 2]" 1
1182 1 51 TYR HB3 1 54 ASN H . . 4.510 3.744 3.547 4.032 . 0 0 "[ . 1 . 2]" 1
1183 1 51 TYR HB3 1 55 PRO HA . . 3.780 2.568 2.285 2.816 . 0 0 "[ . 1 . 2]" 1
1184 1 51 TYR HB3 1 55 PRO HB3 . . 5.170 3.836 3.572 4.212 . 0 0 "[ . 1 . 2]" 1
1185 1 51 TYR HB3 1 56 PRO HD2 . . 4.950 4.465 4.135 4.776 . 0 0 "[ . 1 . 2]" 1
1186 1 51 TYR HB3 1 56 PRO QD . . 4.270 3.565 3.288 3.766 . 0 0 "[ . 1 . 2]" 1
1187 1 51 TYR HB3 1 56 PRO HD3 . . 4.950 3.748 3.451 3.942 . 0 0 "[ . 1 . 2]" 1
1188 1 51 TYR QD 1 52 GLY H . . 4.670 4.625 4.587 4.661 . 0 0 "[ . 1 . 2]" 1
1189 1 51 TYR QD 1 55 PRO HA . . 3.580 2.996 2.750 3.242 . 0 0 "[ . 1 . 2]" 1
1190 1 51 TYR QD 1 55 PRO HB2 . . 4.140 3.393 3.242 3.689 . 0 0 "[ . 1 . 2]" 1
1191 1 51 TYR QD 1 55 PRO HB3 . . 3.550 2.305 2.080 2.714 . 0 0 "[ . 1 . 2]" 1
1192 1 51 TYR QD 1 55 PRO HG2 . . 5.500 5.180 4.979 5.516 0.016 8 0 "[ . 1 . 2]" 1
1193 1 51 TYR QD 1 55 PRO HG3 . . 5.500 4.487 4.205 4.910 . 0 0 "[ . 1 . 2]" 1
1194 1 51 TYR QD 1 56 PRO HD2 . . 3.760 2.779 2.643 2.902 . 0 0 "[ . 1 . 2]" 1
1195 1 51 TYR QD 1 56 PRO QD . . 3.120 2.614 2.506 2.714 . 0 0 "[ . 1 . 2]" 1
1196 1 51 TYR QD 1 56 PRO HD3 . . 3.760 3.187 3.025 3.290 . 0 0 "[ . 1 . 2]" 1
1197 1 51 TYR QD 1 56 PRO QG . . 5.350 4.025 3.894 4.130 . 0 0 "[ . 1 . 2]" 1
1198 1 51 TYR QD 1 59 CYS HB2 . . 5.500 4.521 4.032 5.118 . 0 0 "[ . 1 . 2]" 1
1199 1 51 TYR QD 1 59 CYS HB3 . . 5.500 5.360 5.020 5.515 0.015 4 0 "[ . 1 . 2]" 1
1200 1 52 GLY H 1 52 GLY HA2 . . 2.760 2.447 2.392 2.470 . 0 0 "[ . 1 . 2]" 1
1201 1 52 GLY H 1 53 GLU H . . 4.350 4.110 3.943 4.251 . 0 0 "[ . 1 . 2]" 1
1202 1 52 GLY HA2 1 53 GLU H . . 3.510 3.410 3.334 3.470 . 0 0 "[ . 1 . 2]" 1
1203 1 52 GLY HA2 1 53 GLU HB3 . . 5.500 4.624 4.460 4.856 . 0 0 "[ . 1 . 2]" 1
1204 1 52 GLY HA2 1 54 ASN H . . 4.890 4.830 4.722 4.908 0.018 5 0 "[ . 1 . 2]" 1
1205 1 52 GLY HA3 1 53 GLU H . . 2.940 2.188 2.147 2.242 . 0 0 "[ . 1 . 2]" 1
1206 1 52 GLY HA3 1 53 GLU HB3 . . 4.920 4.485 4.269 4.735 . 0 0 "[ . 1 . 2]" 1
1207 1 52 GLY HA3 1 53 GLU QG . . 5.210 3.809 3.545 4.114 . 0 0 "[ . 1 . 2]" 1
1208 1 52 GLY HA3 1 54 ASN H . . 4.570 3.733 3.496 3.899 . 0 0 "[ . 1 . 2]" 1
1209 1 53 GLU H 1 53 GLU HB2 . . 3.880 3.855 3.740 3.951 0.071 5 0 "[ . 1 . 2]" 1
1210 1 53 GLU H 1 53 GLU HB3 . . 3.220 3.259 3.071 3.409 0.189 1 0 "[ . 1 . 2]" 1
1211 1 53 GLU H 1 53 GLU QG . . 3.240 2.293 2.057 2.437 . 0 0 "[ . 1 . 2]" 1
1212 1 53 GLU H 1 54 ASN H . . 3.220 2.110 1.884 2.380 . 0 0 "[ . 1 . 2]" 1
1213 1 53 GLU H 1 54 ASN HA . . 4.990 4.637 4.532 4.785 . 0 0 "[ . 1 . 2]" 1
1214 1 53 GLU H 1 54 ASN HB2 . . 5.500 4.139 3.625 5.328 . 0 0 "[ . 1 . 2]" 1
1215 1 53 GLU H 1 54 ASN QB . . 4.750 3.843 3.556 4.370 . 0 0 "[ . 1 . 2]" 1
1216 1 53 GLU H 1 54 ASN HB3 . . 5.500 5.072 4.503 5.364 . 0 0 "[ . 1 . 2]" 1
1217 1 53 GLU HA 1 53 GLU HG2 . . 4.190 3.745 3.621 3.960 . 0 0 "[ . 1 . 2]" 1
1218 1 53 GLU HA 1 53 GLU QG . . 3.580 3.328 3.313 3.339 . 0 0 "[ . 1 . 2]" 1
1219 1 53 GLU HA 1 53 GLU HG3 . . 4.190 3.752 3.590 3.887 . 0 0 "[ . 1 . 2]" 1
1220 1 53 GLU HA 1 54 ASN H . . 3.500 3.031 2.889 3.240 . 0 0 "[ . 1 . 2]" 1
1221 1 53 GLU HA 1 54 ASN HA . . 4.940 4.392 4.357 4.465 . 0 0 "[ . 1 . 2]" 1
1222 1 53 GLU HB2 1 54 ASN H . . 4.640 4.432 4.200 4.521 . 0 0 "[ . 1 . 2]" 1
1223 1 53 GLU HB2 1 54 ASN QD . . 5.340 3.654 3.046 4.053 . 0 0 "[ . 1 . 2]" 1
1224 1 53 GLU HB3 1 54 ASN H . . 4.670 4.535 4.464 4.595 . 0 0 "[ . 1 . 2]" 1
1225 1 53 GLU HB3 1 54 ASN HD21 . . 5.180 4.672 4.454 5.201 0.021 10 0 "[ . 1 . 2]" 1
1226 1 53 GLU HB3 1 54 ASN HD22 . . 5.180 5.108 4.641 5.183 0.003 1 0 "[ . 1 . 2]" 1
1227 1 53 GLU QG 1 54 ASN H . . 4.170 3.441 3.014 3.718 . 0 0 "[ . 1 . 2]" 1
1228 1 53 GLU QG 1 54 ASN HA . . 5.340 4.448 4.249 4.648 . 0 0 "[ . 1 . 2]" 1
1229 1 53 GLU QG 1 54 ASN QD . . 4.860 1.950 1.825 2.538 . 0 0 "[ . 1 . 2]" 1
1230 1 54 ASN H 1 54 ASN HB2 . . 4.000 3.156 2.885 3.969 . 0 0 "[ . 1 . 2]" 1
1231 1 54 ASN H 1 54 ASN QB . . 3.410 2.962 2.811 3.387 . 0 0 "[ . 1 . 2]" 1
1232 1 54 ASN H 1 54 ASN HB3 . . 4.000 3.832 3.644 3.902 . 0 0 "[ . 1 . 2]" 1
1233 1 54 ASN H 1 54 ASN QD . . 4.830 3.510 3.199 3.626 . 0 0 "[ . 1 . 2]" 1
1234 1 54 ASN H 1 55 PRO QD . . 3.430 2.756 2.595 3.046 . 0 0 "[ . 1 . 2]" 1
1235 1 54 ASN HA 1 54 ASN QD . . 4.140 3.509 2.287 3.824 . 0 0 "[ . 1 . 2]" 1
1236 1 54 ASN HA 1 55 PRO HB2 . . 5.500 5.570 5.561 5.577 0.077 10 0 "[ . 1 . 2]" 1
1237 1 54 ASN HA 1 55 PRO HB3 . . 5.370 5.238 5.224 5.249 . 0 0 "[ . 1 . 2]" 1
1238 1 54 ASN HA 1 55 PRO HD2 . . 3.160 2.059 2.046 2.071 . 0 0 "[ . 1 . 2]" 1
1239 1 54 ASN HA 1 55 PRO HD3 . . 3.160 2.886 2.865 2.904 . 0 0 "[ . 1 . 2]" 1
1240 1 54 ASN HA 1 55 PRO HG2 . . 4.320 4.198 4.189 4.205 . 0 0 "[ . 1 . 2]" 1
1241 1 54 ASN HA 1 55 PRO HG3 . . 5.280 4.640 4.623 4.655 . 0 0 "[ . 1 . 2]" 1
1242 1 54 ASN QB 1 54 ASN QD . . 2.880 2.165 2.099 2.499 . 0 0 "[ . 1 . 2]" 1
1243 1 54 ASN QB 1 55 PRO QD . . 4.010 3.733 3.662 3.772 . 0 0 "[ . 1 . 2]" 1
1244 1 54 ASN HB2 1 55 PRO HD2 . . 5.270 4.726 4.328 4.866 . 0 0 "[ . 1 . 2]" 1
1245 1 54 ASN HB2 1 55 PRO HD3 . . 5.270 4.989 4.960 5.032 . 0 0 "[ . 1 . 2]" 1
1246 1 54 ASN HB3 1 55 PRO HD2 . . 5.270 4.345 4.214 4.413 . 0 0 "[ . 1 . 2]" 1
1247 1 54 ASN HB3 1 55 PRO HD3 . . 5.270 5.023 4.995 5.039 . 0 0 "[ . 1 . 2]" 1
1248 1 55 PRO HA 1 56 PRO HD2 . . 3.520 2.532 2.528 2.539 . 0 0 "[ . 1 . 2]" 1
1249 1 55 PRO HA 1 56 PRO QD . . 3.020 2.173 2.170 2.178 . 0 0 "[ . 1 . 2]" 1
1250 1 55 PRO HA 1 56 PRO HD3 . . 3.520 2.366 2.364 2.370 . 0 0 "[ . 1 . 2]" 1
1251 1 55 PRO HA 1 56 PRO HG2 . . 5.430 4.625 4.622 4.630 . 0 0 "[ . 1 . 2]" 1
1252 1 55 PRO HA 1 56 PRO QG . . 4.730 4.091 4.089 4.096 . 0 0 "[ . 1 . 2]" 1
1253 1 55 PRO HA 1 56 PRO HG3 . . 5.430 4.562 4.559 4.567 . 0 0 "[ . 1 . 2]" 1
1254 1 55 PRO HB2 1 56 PRO HD2 . . 4.800 2.084 2.071 2.093 . 0 0 "[ . 1 . 2]" 1
1255 1 55 PRO HB2 1 56 PRO QD . . 3.950 2.070 2.057 2.078 . 0 0 "[ . 1 . 2]" 1
1256 1 55 PRO HB2 1 56 PRO HD3 . . 4.800 3.522 3.510 3.529 . 0 0 "[ . 1 . 2]" 1
1257 1 55 PRO HB2 1 59 CYS H . . 4.400 4.129 4.024 4.260 . 0 0 "[ . 1 . 2]" 1
1258 1 55 PRO HB2 1 59 CYS HB2 . . 4.700 2.296 2.085 2.493 . 0 0 "[ . 1 . 2]" 1
1259 1 55 PRO HB2 1 59 CYS QB . . 4.030 2.140 1.990 2.345 . 0 0 "[ . 1 . 2]" 1
1260 1 55 PRO HB2 1 59 CYS HB3 . . 4.700 2.627 2.361 3.186 . 0 0 "[ . 1 . 2]" 1
1261 1 55 PRO HB2 1 60 SER H . . 5.500 5.488 5.358 5.533 0.033 15 0 "[ . 1 . 2]" 1
1262 1 55 PRO HB3 1 56 PRO HD2 . . 4.750 2.727 2.721 2.732 . 0 0 "[ . 1 . 2]" 1
1263 1 55 PRO HB3 1 56 PRO QD . . 4.020 2.668 2.661 2.672 . 0 0 "[ . 1 . 2]" 1
1264 1 55 PRO HB3 1 56 PRO HD3 . . 4.750 3.777 3.769 3.782 . 0 0 "[ . 1 . 2]" 1
1265 1 55 PRO HB3 1 59 CYS HB2 . . 4.790 3.702 3.486 4.039 . 0 0 "[ . 1 . 2]" 1
1266 1 55 PRO HB3 1 59 CYS QB . . 4.120 3.440 3.310 3.700 . 0 0 "[ . 1 . 2]" 1
1267 1 55 PRO HB3 1 59 CYS HB3 . . 4.790 4.096 3.972 4.294 . 0 0 "[ . 1 . 2]" 1
1268 1 55 PRO HG2 1 59 CYS H . . 5.500 5.260 5.079 5.500 . 18 0 "[ . 1 . 2]" 1
1269 1 55 PRO HG2 1 59 CYS HB2 . . 5.500 3.848 3.323 4.407 . 0 0 "[ . 1 . 2]" 1
1270 1 55 PRO HG2 1 59 CYS QB . . 4.750 3.058 2.849 3.323 . 0 0 "[ . 1 . 2]" 1
1271 1 55 PRO HG2 1 59 CYS HB3 . . 5.500 3.309 2.941 3.983 . 0 0 "[ . 1 . 2]" 1
1272 1 55 PRO HG2 1 60 SER H . . 5.500 5.721 5.459 5.931 0.431 9 0 "[ . 1 . 2]" 1
1273 1 56 PRO HA 1 57 THR H . . 3.210 2.319 2.288 2.327 . 0 0 "[ . 1 . 2]" 1
1274 1 56 PRO HA 1 58 SER H . . 4.740 3.982 3.895 4.135 . 0 0 "[ . 1 . 2]" 1
1275 1 56 PRO QB 1 57 THR H . . 3.510 2.725 2.709 2.805 . 0 0 "[ . 1 . 2]" 1
1276 1 56 PRO QB 1 57 THR HA . . 4.760 4.573 4.549 4.607 . 0 0 "[ . 1 . 2]" 1
1277 1 56 PRO QB 1 57 THR HB . . 5.420 4.945 4.867 5.038 . 0 0 "[ . 1 . 2]" 1
1278 1 56 PRO QB 1 58 SER H . . 3.210 2.262 2.175 2.400 . 0 0 "[ . 1 . 2]" 1
1279 1 56 PRO QB 1 59 CYS H . . 4.260 3.485 3.247 3.693 . 0 0 "[ . 1 . 2]" 1
1280 1 56 PRO QD 1 58 SER H . . 5.340 4.901 4.786 5.063 . 0 0 "[ . 1 . 2]" 1
1281 1 56 PRO QD 1 59 CYS H . . 4.450 4.038 3.899 4.162 . 0 0 "[ . 1 . 2]" 1
1282 1 56 PRO QD 1 59 CYS QB . . 4.470 2.729 2.307 3.188 . 0 0 "[ . 1 . 2]" 1
1283 1 56 PRO QG 1 58 SER H . . 4.830 3.338 3.226 3.487 . 0 0 "[ . 1 . 2]" 1
1284 1 56 PRO QG 1 59 CYS H . . 4.690 2.878 2.618 3.135 . 0 0 "[ . 1 . 2]" 1
1285 1 56 PRO QG 1 59 CYS QB . . 5.180 2.886 2.368 3.268 . 0 0 "[ . 1 . 2]" 1
1286 1 56 PRO HG2 1 57 THR H . . 5.500 4.577 4.564 4.639 . 0 0 "[ . 1 . 2]" 1
1287 1 56 PRO HG2 1 58 SER H . . 5.500 3.432 3.309 3.592 . 0 0 "[ . 1 . 2]" 1
1288 1 56 PRO HG2 1 59 CYS H . . 5.500 2.907 2.638 3.172 . 0 0 "[ . 1 . 2]" 1
1289 1 56 PRO HG3 1 57 THR H . . 5.500 5.240 5.227 5.303 . 0 0 "[ . 1 . 2]" 1
1290 1 56 PRO HG3 1 58 SER H . . 5.500 4.569 4.461 4.721 . 0 0 "[ . 1 . 2]" 1
1291 1 56 PRO HG3 1 59 CYS H . . 5.500 4.641 4.373 4.907 . 0 0 "[ . 1 . 2]" 1
1292 1 57 THR H 1 57 THR HB . . 3.650 2.564 2.495 2.668 . 0 0 "[ . 1 . 2]" 1
1293 1 57 THR H 1 57 THR MG . . 3.000 2.073 1.929 2.237 . 0 0 "[ . 1 . 2]" 1
1294 1 57 THR H 1 58 SER H . . 3.700 2.682 2.625 2.746 . 0 0 "[ . 1 . 2]" 1
1295 1 57 THR H 1 59 CYS H . . 4.780 4.212 4.129 4.323 . 0 0 "[ . 1 . 2]" 1
1296 1 57 THR HA 1 57 THR MG . . 3.240 3.202 3.190 3.207 . 0 0 "[ . 1 . 2]" 1
1297 1 57 THR HA 1 59 CYS H . . 4.390 3.685 3.525 3.910 . 0 0 "[ . 1 . 2]" 1
1298 1 57 THR HA 1 60 SER H . . 5.130 3.624 3.420 3.915 . 0 0 "[ . 1 . 2]" 1
1299 1 57 THR HB 1 58 SER H . . 4.240 4.135 4.003 4.241 0.001 9 0 "[ . 1 . 2]" 1
1300 1 57 THR MG 1 58 SER H . . 3.900 2.356 2.102 2.540 . 0 0 "[ . 1 . 2]" 1
1301 1 57 THR MG 1 59 CYS H . . 4.550 4.316 4.199 4.440 . 0 0 "[ . 1 . 2]" 1
1302 1 57 THR MG 1 60 SER H . . 5.240 4.953 4.846 5.080 . 0 0 "[ . 1 . 2]" 1
1303 1 58 SER H 1 58 SER HB2 . . 3.690 3.434 3.169 3.576 . 0 0 "[ . 1 . 2]" 1
1304 1 58 SER H 1 58 SER QB . . 3.100 2.717 2.061 2.924 . 0 0 "[ . 1 . 2]" 1
1305 1 58 SER H 1 58 SER HB3 . . 3.690 2.883 2.086 3.378 . 0 0 "[ . 1 . 2]" 1
1306 1 58 SER H 1 59 CYS H . . 3.630 2.540 2.412 2.635 . 0 0 "[ . 1 . 2]" 1
1307 1 58 SER HA 1 60 SER H . . 4.750 3.701 3.483 3.918 . 0 0 "[ . 1 . 2]" 1
1308 1 58 SER HA 1 66 PHE QE . . 5.500 4.606 4.059 4.838 . 0 0 "[ . 1 . 2]" 1
1309 1 58 SER QB 1 59 CYS H . . 4.310 3.486 3.118 3.693 . 0 0 "[ . 1 . 2]" 1
1310 1 59 CYS H 1 59 CYS HB2 . . 3.410 2.532 2.140 2.810 . 0 0 "[ . 1 . 2]" 1
1311 1 59 CYS H 1 59 CYS QB . . 2.770 2.222 2.120 2.257 . 0 0 "[ . 1 . 2]" 1
1312 1 59 CYS H 1 59 CYS HB3 . . 3.410 2.745 2.355 3.525 0.115 10 0 "[ . 1 . 2]" 1
1313 1 59 CYS H 1 60 SER H . . 4.560 2.507 2.381 2.605 . 0 0 "[ . 1 . 2]" 1
1314 1 59 CYS HA 1 66 PHE QD . . 3.980 2.658 2.414 2.836 . 0 0 "[ . 1 . 2]" 1
1315 1 59 CYS QB 1 65 GLN HE21 . . 5.340 4.282 3.569 4.721 . 0 0 "[ . 1 . 2]" 1
1316 1 59 CYS QB 1 65 GLN QG . . 4.710 4.103 3.599 4.456 . 0 0 "[ . 1 . 2]" 1
1317 1 59 CYS HB2 1 60 SER H . . 5.300 3.920 3.215 4.193 . 0 0 "[ . 1 . 2]" 1
1318 1 59 CYS HB2 1 66 PHE H . . 5.500 5.566 5.501 5.629 0.129 18 0 "[ . 1 . 2]" 1
1319 1 59 CYS HB2 1 66 PHE QD . . 5.500 5.068 4.850 5.316 . 0 0 "[ . 1 . 2]" 1
1320 1 59 CYS HB3 1 60 SER H . . 5.300 3.298 3.009 3.879 . 0 0 "[ . 1 . 2]" 1
1321 1 59 CYS HB3 1 66 PHE H . . 5.500 4.822 3.944 5.334 . 0 0 "[ . 1 . 2]" 1
1322 1 59 CYS HB3 1 66 PHE QD . . 5.500 4.993 4.250 5.417 . 0 0 "[ . 1 . 2]" 1
1323 1 60 SER H 1 60 SER HB2 . . 3.660 3.651 3.585 3.678 0.018 8 0 "[ . 1 . 2]" 1
1324 1 60 SER H 1 60 SER HB3 . . 3.660 3.433 3.287 3.590 . 0 0 "[ . 1 . 2]" 1
1325 1 60 SER H 1 61 LYS H . . 4.930 4.465 4.404 4.494 . 0 0 "[ . 1 . 2]" 1
1326 1 60 SER H 1 61 LYS QB . . 5.500 4.711 4.500 4.852 . 0 0 "[ . 1 . 2]" 1
1327 1 60 SER H 1 66 PHE H . . 5.190 5.139 4.976 5.226 0.036 11 0 "[ . 1 . 2]" 1
1328 1 60 SER H 1 66 PHE QE . . 4.780 4.417 3.997 4.735 . 0 0 "[ . 1 . 2]" 1
1329 1 60 SER H 1 66 PHE HZ . . 5.500 6.152 5.774 6.425 0.925 2 16 "[*+* *** ******* -**]" 1
1330 1 60 SER HA 1 61 LYS H . . 3.120 2.346 2.244 2.416 . 0 0 "[ . 1 . 2]" 1
1331 1 60 SER HA 1 64 VAL H . . 4.960 4.358 4.306 4.443 . 0 0 "[ . 1 . 2]" 1
1332 1 60 SER HA 1 66 PHE H . . 3.590 3.220 3.118 3.331 . 0 0 "[ . 1 . 2]" 1
1333 1 60 SER QB 1 61 LYS H . . 3.160 2.566 2.404 2.850 . 0 0 "[ . 1 . 2]" 1
1334 1 60 SER QB 1 61 LYS QB . . 5.180 4.507 4.418 4.633 . 0 0 "[ . 1 . 2]" 1
1335 1 60 SER QB 1 63 GLY H . . 4.260 3.971 3.835 4.078 . 0 0 "[ . 1 . 2]" 1
1336 1 60 SER QB 1 64 VAL H . . 3.850 3.391 3.291 3.539 . 0 0 "[ . 1 . 2]" 1
1337 1 60 SER QB 1 65 GLN HA . . 3.550 2.692 2.420 2.813 . 0 0 "[ . 1 . 2]" 1
1338 1 60 SER QB 1 65 GLN QB . . 4.950 3.758 3.470 3.843 . 0 0 "[ . 1 . 2]" 1
1339 1 60 SER QB 1 65 GLN HE21 . . 5.330 5.323 5.168 5.354 0.024 12 0 "[ . 1 . 2]" 1
1340 1 60 SER QB 1 65 GLN QG . . 4.650 3.327 2.986 3.492 . 0 0 "[ . 1 . 2]" 1
1341 1 60 SER QB 1 66 PHE H . . 4.380 4.064 3.910 4.177 . 0 0 "[ . 1 . 2]" 1
1342 1 60 SER HB2 1 61 LYS H . . 3.740 2.633 2.453 2.983 . 0 0 "[ . 1 . 2]" 1
1343 1 60 SER HB2 1 65 GLN HA . . 4.120 3.913 3.678 4.120 . 7 0 "[ . 1 . 2]" 1
1344 1 60 SER HB3 1 61 LYS H . . 3.740 3.567 3.386 3.695 . 0 0 "[ . 1 . 2]" 1
1345 1 60 SER HB3 1 65 GLN HA . . 4.120 2.744 2.455 2.891 . 0 0 "[ . 1 . 2]" 1
1346 1 61 LYS H 1 61 LYS QB . . 3.580 2.817 2.727 2.882 . 0 0 "[ . 1 . 2]" 1
1347 1 61 LYS H 1 61 LYS QE . . 5.500 4.892 4.244 5.081 . 0 0 "[ . 1 . 2]" 1
1348 1 61 LYS H 1 61 LYS QG . . 4.350 4.215 4.091 4.271 . 0 0 "[ . 1 . 2]" 1
1349 1 61 LYS H 1 62 ASP H . . 4.620 4.203 4.084 4.313 . 0 0 "[ . 1 . 2]" 1
1350 1 61 LYS H 1 62 ASP QB . . 5.130 4.663 4.601 4.704 . 0 0 "[ . 1 . 2]" 1
1351 1 61 LYS H 1 63 GLY H . . 4.100 3.709 3.592 3.887 . 0 0 "[ . 1 . 2]" 1
1352 1 61 LYS H 1 64 VAL H . . 3.180 2.452 2.356 2.595 . 0 0 "[ . 1 . 2]" 1
1353 1 61 LYS H 1 64 VAL HB . . 4.730 4.266 4.204 4.310 . 0 0 "[ . 1 . 2]" 1
1354 1 61 LYS H 1 64 VAL MG1 . . 3.780 2.093 1.931 2.199 . 0 0 "[ . 1 . 2]" 1
1355 1 61 LYS H 1 65 GLN HA . . 4.530 4.030 3.889 4.124 . 0 0 "[ . 1 . 2]" 1
1356 1 61 LYS H 1 66 PHE H . . 5.050 5.081 4.832 5.330 0.280 8 0 "[ . 1 . 2]" 1
1357 1 61 LYS H 1 66 PHE QE . . 4.130 4.251 4.028 4.379 0.249 8 0 "[ . 1 . 2]" 1
1358 1 61 LYS H 1 66 PHE HZ . . 4.390 4.274 3.907 4.402 0.012 5 0 "[ . 1 . 2]" 1
1359 1 61 LYS HA 1 61 LYS QD . . 4.780 3.510 2.767 4.117 . 0 0 "[ . 1 . 2]" 1
1360 1 61 LYS HA 1 61 LYS QE . . 4.620 3.654 1.972 4.128 . 0 0 "[ . 1 . 2]" 1
1361 1 61 LYS HA 1 61 LYS HG2 . . 4.180 2.575 2.172 3.813 . 0 0 "[ . 1 . 2]" 1
1362 1 61 LYS HA 1 61 LYS QG . . 3.640 2.288 2.151 2.663 . 0 0 "[ . 1 . 2]" 1
1363 1 61 LYS HA 1 61 LYS HG3 . . 4.180 3.093 2.603 3.506 . 0 0 "[ . 1 . 2]" 1
1364 1 61 LYS HA 1 62 ASP H . . 2.890 2.193 2.156 2.227 . 0 0 "[ . 1 . 2]" 1
1365 1 61 LYS HA 1 63 GLY H . . 4.750 3.436 3.376 3.516 . 0 0 "[ . 1 . 2]" 1
1366 1 61 LYS HA 1 66 PHE HZ . . 4.660 4.862 4.658 4.918 0.258 2 0 "[ . 1 . 2]" 1
1367 1 61 LYS QB 1 61 LYS QE . . 3.340 2.174 1.925 2.474 . 0 0 "[ . 1 . 2]" 1
1368 1 61 LYS QB 1 62 ASP H . . 4.700 3.519 3.317 3.703 . 0 0 "[ . 1 . 2]" 1
1369 1 61 LYS QB 1 66 PHE QE . . 3.720 2.713 2.441 2.884 . 0 0 "[ . 1 . 2]" 1
1370 1 61 LYS QB 1 66 PHE HZ . . 3.010 2.103 1.964 2.204 . 0 0 "[ . 1 . 2]" 1
1371 1 61 LYS HD2 1 62 ASP H . . 5.140 3.836 1.955 5.148 0.008 15 0 "[ . 1 . 2]" 1
1372 1 61 LYS HD3 1 62 ASP H . . 5.140 4.353 3.539 5.135 . 0 0 "[ . 1 . 2]" 1
1373 1 61 LYS QE 1 61 LYS HG2 . . 3.720 2.928 2.076 3.540 . 0 0 "[ . 1 . 2]" 1
1374 1 61 LYS QE 1 61 LYS QG . . 3.220 2.363 2.052 2.818 . 0 0 "[ . 1 . 2]" 1
1375 1 61 LYS QE 1 61 LYS HG3 . . 3.720 2.832 2.256 3.444 . 0 0 "[ . 1 . 2]" 1
1376 1 61 LYS QE 1 62 ASP H . . 4.860 3.411 2.503 3.796 . 0 0 "[ . 1 . 2]" 1
1377 1 61 LYS QE 1 63 GLY H . . 5.500 5.331 4.603 5.558 0.058 13 0 "[ . 1 . 2]" 1
1378 1 61 LYS QE 1 66 PHE HZ . . 4.640 4.031 3.398 4.647 0.007 8 0 "[ . 1 . 2]" 1
1379 1 61 LYS QG 1 62 ASP H . . 3.580 2.742 2.282 3.231 . 0 0 "[ . 1 . 2]" 1
1380 1 61 LYS QG 1 62 ASP HA . . 5.200 4.513 3.720 5.219 0.019 9 0 "[ . 1 . 2]" 1
1381 1 61 LYS QG 1 62 ASP QB . . 4.460 3.715 2.479 4.482 0.022 13 0 "[ . 1 . 2]" 1
1382 1 61 LYS QG 1 66 PHE HZ . . 3.930 3.519 3.206 3.915 . 0 0 "[ . 1 . 2]" 1
1383 1 61 LYS HG2 1 62 ASP H . . 4.370 3.114 2.303 4.154 . 0 0 "[ . 1 . 2]" 1
1384 1 61 LYS HG3 1 62 ASP H . . 4.370 3.854 2.327 4.462 0.092 11 0 "[ . 1 . 2]" 1
1385 1 62 ASP H 1 62 ASP HA . . 2.600 2.276 2.274 2.278 . 0 0 "[ . 1 . 2]" 1
1386 1 62 ASP H 1 62 ASP HB2 . . 4.180 3.133 2.981 3.465 . 0 0 "[ . 1 . 2]" 1
1387 1 62 ASP H 1 62 ASP QB . . 3.610 3.004 2.876 3.285 . 0 0 "[ . 1 . 2]" 1
1388 1 62 ASP H 1 62 ASP HB3 . . 4.180 3.866 3.688 4.095 . 0 0 "[ . 1 . 2]" 1
1389 1 62 ASP H 1 63 GLY H . . 3.670 2.697 2.627 2.737 . 0 0 "[ . 1 . 2]" 1
1390 1 62 ASP H 1 63 GLY QA . . 5.100 4.576 4.519 4.610 . 0 0 "[ . 1 . 2]" 1
1391 1 62 ASP H 1 64 VAL H . . 4.290 4.176 4.088 4.213 . 0 0 "[ . 1 . 2]" 1
1392 1 62 ASP H 1 64 VAL MG1 . . 5.120 4.744 4.707 4.810 . 0 0 "[ . 1 . 2]" 1
1393 1 62 ASP HA 1 63 GLY QA . . 5.310 4.062 4.060 4.064 . 0 0 "[ . 1 . 2]" 1
1394 1 62 ASP HA 1 64 VAL H . . 5.380 4.629 4.560 4.645 . 0 0 "[ . 1 . 2]" 1
1395 1 62 ASP HA 1 64 VAL MG1 . . 5.480 5.399 5.383 5.430 . 0 0 "[ . 1 . 2]" 1
1396 1 62 ASP QB 1 64 VAL H . . 4.210 3.814 3.714 3.880 . 0 0 "[ . 1 . 2]" 1
1397 1 62 ASP HB2 1 63 GLY H . . 5.180 4.344 4.072 4.522 . 0 0 "[ . 1 . 2]" 1
1398 1 62 ASP HB2 1 64 VAL H . . 5.050 4.652 3.970 5.041 . 0 0 "[ . 1 . 2]" 1
1399 1 62 ASP HB2 1 64 VAL MG1 . . 5.310 4.121 3.467 4.561 . 0 0 "[ . 1 . 2]" 1
1400 1 62 ASP HB3 1 63 GLY H . . 5.180 4.155 4.047 4.412 . 0 0 "[ . 1 . 2]" 1
1401 1 62 ASP HB3 1 64 VAL H . . 5.050 4.214 3.830 4.875 . 0 0 "[ . 1 . 2]" 1
1402 1 62 ASP HB3 1 64 VAL MG1 . . 5.310 3.964 3.511 4.766 . 0 0 "[ . 1 . 2]" 1
1403 1 63 GLY H 1 63 GLY QA . . 2.560 2.226 2.224 2.230 . 0 0 "[ . 1 . 2]" 1
1404 1 63 GLY H 1 64 VAL H . . 3.420 2.446 2.430 2.462 . 0 0 "[ . 1 . 2]" 1
1405 1 63 GLY H 1 64 VAL HB . . 4.980 4.768 4.748 4.793 . 0 0 "[ . 1 . 2]" 1
1406 1 63 GLY H 1 64 VAL MG1 . . 4.680 4.331 4.287 4.401 . 0 0 "[ . 1 . 2]" 1
1407 1 63 GLY HA2 1 64 VAL MG1 . . 5.500 5.120 5.080 5.176 . 0 0 "[ . 1 . 2]" 1
1408 1 63 GLY HA3 1 64 VAL MG1 . . 5.500 5.336 5.326 5.357 . 0 0 "[ . 1 . 2]" 1
1409 1 64 VAL H 1 64 VAL HB . . 2.950 2.801 2.776 2.817 . 0 0 "[ . 1 . 2]" 1
1410 1 64 VAL H 1 64 VAL MG1 . . 2.710 2.487 2.452 2.549 . 0 0 "[ . 1 . 2]" 1
1411 1 64 VAL H 1 65 GLN H . . 4.550 4.477 4.447 4.489 . 0 0 "[ . 1 . 2]" 1
1412 1 64 VAL HA 1 64 VAL MG1 . . 3.250 3.151 3.142 3.155 . 0 0 "[ . 1 . 2]" 1
1413 1 64 VAL HA 1 65 GLN H . . 2.660 2.313 2.263 2.322 . 0 0 "[ . 1 . 2]" 1
1414 1 64 VAL HB 1 65 GLN H . . 4.340 4.078 4.064 4.166 . 0 0 "[ . 1 . 2]" 1
1415 1 64 VAL HB 1 66 PHE QE . . 5.500 5.199 5.044 5.353 . 0 0 "[ . 1 . 2]" 1
1416 1 64 VAL MG1 1 65 GLN H . . 3.170 3.090 3.010 3.170 . 0 0 "[ . 1 . 2]" 1
1417 1 64 VAL MG1 1 66 PHE H . . 4.990 4.154 3.963 4.359 . 0 0 "[ . 1 . 2]" 1
1418 1 64 VAL MG1 1 66 PHE HA . . 5.410 4.072 3.984 4.157 . 0 0 "[ . 1 . 2]" 1
1419 1 64 VAL MG1 1 66 PHE QD . . 4.600 3.168 3.076 3.280 . 0 0 "[ . 1 . 2]" 1
1420 1 64 VAL MG1 1 66 PHE QE . . 4.830 2.597 2.430 2.749 . 0 0 "[ . 1 . 2]" 1
1421 1 64 VAL MG1 1 66 PHE HZ . . 4.770 3.496 3.321 3.609 . 0 0 "[ . 1 . 2]" 1
1422 1 64 VAL MG1 1 67 THR H . . 5.500 5.511 5.490 5.532 0.032 12 0 "[ . 1 . 2]" 1
1423 1 65 GLN H 1 65 GLN HB2 . . 3.210 2.726 2.630 2.776 . 0 0 "[ . 1 . 2]" 1
1424 1 65 GLN H 1 65 GLN QB . . 2.610 2.447 2.409 2.473 . 0 0 "[ . 1 . 2]" 1
1425 1 65 GLN H 1 65 GLN HB3 . . 3.210 2.773 2.707 2.849 . 0 0 "[ . 1 . 2]" 1
1426 1 65 GLN H 1 65 GLN HG2 . . 4.730 4.498 4.473 4.518 . 0 0 "[ . 1 . 2]" 1
1427 1 65 GLN H 1 65 GLN QG . . 4.160 4.110 4.063 4.136 . 0 0 "[ . 1 . 2]" 1
1428 1 65 GLN H 1 65 GLN HG3 . . 4.730 4.753 4.658 4.796 0.066 16 0 "[ . 1 . 2]" 1
1429 1 65 GLN H 1 66 PHE H . . 5.470 4.452 4.385 4.521 . 0 0 "[ . 1 . 2]" 1
1430 1 65 GLN HA 1 65 GLN HE21 . . 5.500 4.117 3.720 4.786 . 0 0 "[ . 1 . 2]" 1
1431 1 65 GLN HA 1 65 GLN HE22 . . 5.500 5.255 5.039 5.487 . 0 0 "[ . 1 . 2]" 1
1432 1 65 GLN HA 1 65 GLN QG . . 3.660 2.193 2.152 2.229 . 0 0 "[ . 1 . 2]" 1
1433 1 65 GLN HA 1 66 PHE H . . 3.020 2.181 2.149 2.231 . 0 0 "[ . 1 . 2]" 1
1434 1 65 GLN HA 1 66 PHE QD . . 5.240 4.539 4.419 4.617 . 0 0 "[ . 1 . 2]" 1
1435 1 65 GLN HA 1 66 PHE QE . . 5.500 5.364 5.127 5.503 0.003 19 0 "[ . 1 . 2]" 1
1436 1 65 GLN QB 1 65 GLN HE21 . . 4.100 3.800 3.499 3.981 . 0 0 "[ . 1 . 2]" 1
1437 1 65 GLN QB 1 65 GLN HE22 . . 4.520 4.087 3.873 4.250 . 0 0 "[ . 1 . 2]" 1
1438 1 65 GLN QB 1 66 PHE H . . 3.810 3.615 3.485 3.725 . 0 0 "[ . 1 . 2]" 1
1439 1 65 GLN HB2 1 65 GLN HE21 . . 4.700 4.574 4.473 4.637 . 0 0 "[ . 1 . 2]" 1
1440 1 65 GLN HB2 1 65 GLN HE22 . . 5.250 5.245 5.122 5.330 0.080 16 0 "[ . 1 . 2]" 1
1441 1 65 GLN HB2 1 66 PHE H . . 4.440 4.281 4.192 4.377 . 0 0 "[ . 1 . 2]" 1
1442 1 65 GLN HB3 1 65 GLN HE21 . . 4.700 4.067 3.655 4.346 . 0 0 "[ . 1 . 2]" 1
1443 1 65 GLN HB3 1 65 GLN HE22 . . 5.250 4.265 4.009 4.466 . 0 0 "[ . 1 . 2]" 1
1444 1 65 GLN HB3 1 66 PHE H . . 4.440 3.898 3.726 4.059 . 0 0 "[ . 1 . 2]" 1
1445 1 65 GLN HE21 1 67 THR HA . . 4.590 3.944 3.346 4.600 0.010 16 0 "[ . 1 . 2]" 1
1446 1 65 GLN HE21 1 67 THR MG . . 4.570 3.898 3.280 4.390 . 0 0 "[ . 1 . 2]" 1
1447 1 65 GLN HE22 1 67 THR HA . . 5.080 2.707 2.016 3.332 . 0 0 "[ . 1 . 2]" 1
1448 1 65 GLN HE22 1 67 THR MG . . 5.150 2.775 2.155 3.180 . 0 0 "[ . 1 . 2]" 1
1449 1 65 GLN QG 1 66 PHE H . . 3.640 2.564 2.371 2.711 . 0 0 "[ . 1 . 2]" 1
1450 1 65 GLN HG2 1 66 PHE H . . 4.340 2.585 2.386 2.736 . 0 0 "[ . 1 . 2]" 1
1451 1 65 GLN HG3 1 66 PHE H . . 4.340 4.254 4.085 4.411 0.071 6 0 "[ . 1 . 2]" 1
1452 1 66 PHE H 1 66 PHE HB2 . . 3.910 2.481 2.434 2.551 . 0 0 "[ . 1 . 2]" 1
1453 1 66 PHE H 1 66 PHE QB . . 3.370 2.442 2.399 2.507 . 0 0 "[ . 1 . 2]" 1
1454 1 66 PHE H 1 66 PHE HB3 . . 3.910 3.640 3.616 3.681 . 0 0 "[ . 1 . 2]" 1
1455 1 66 PHE H 1 66 PHE QD . . 3.650 3.344 3.267 3.426 . 0 0 "[ . 1 . 2]" 1
1456 1 66 PHE H 1 67 THR H . . 5.280 4.180 3.859 4.332 . 0 0 "[ . 1 . 2]" 1
1457 1 66 PHE H 1 68 GLU H . . 5.500 5.247 5.169 5.358 . 0 0 "[ . 1 . 2]" 1
1458 1 66 PHE HA 1 66 PHE QD . . 3.520 2.048 2.001 2.113 . 0 0 "[ . 1 . 2]" 1
1459 1 66 PHE HA 1 67 THR H . . 3.120 2.200 2.156 2.323 . 0 0 "[ . 1 . 2]" 1
1460 1 66 PHE HA 1 67 THR MG . . 4.560 4.129 3.727 4.561 0.001 18 0 "[ . 1 . 2]" 1
1461 1 66 PHE HA 1 68 GLU H . . 3.980 3.572 3.135 3.931 . 0 0 "[ . 1 . 2]" 1
1462 1 66 PHE QB 1 67 THR H . . 3.810 3.635 3.531 3.819 0.009 18 0 "[ . 1 . 2]" 1
1463 1 66 PHE QB 1 68 GLU H . . 3.620 3.060 2.810 3.294 . 0 0 "[ . 1 . 2]" 1
1464 1 66 PHE QB 1 68 GLU QG . . 4.370 4.405 4.231 4.505 0.135 12 0 "[ . 1 . 2]" 1
1465 1 66 PHE HB2 1 68 GLU H . . 4.380 4.070 3.794 4.402 0.022 11 0 "[ . 1 . 2]" 1
1466 1 66 PHE HB3 1 68 GLU H . . 4.380 3.169 2.878 3.403 . 0 0 "[ . 1 . 2]" 1
1467 1 66 PHE QD 1 67 THR H . . 4.110 4.036 3.917 4.285 0.175 18 0 "[ . 1 . 2]" 1
1468 1 66 PHE QD 1 68 GLU H . . 4.860 4.794 4.375 5.066 0.206 4 0 "[ . 1 . 2]" 1
1469 1 67 THR H 1 67 THR HB . . 3.870 3.621 3.549 3.704 . 0 0 "[ . 1 . 2]" 1
1470 1 67 THR H 1 67 THR MG . . 3.030 2.591 2.085 3.024 . 0 0 "[ . 1 . 2]" 1
1471 1 67 THR H 1 68 GLU H . . 3.230 2.913 2.423 3.238 0.008 1 0 "[ . 1 . 2]" 1
1472 1 67 THR H 1 68 GLU HA . . 5.000 5.111 4.877 5.232 0.232 17 0 "[ . 1 . 2]" 1
1473 1 67 THR H 1 68 GLU QB . . 4.200 4.562 4.390 4.785 0.585 18 5 "[ * . - 1** . + 2]" 1
1474 1 67 THR H 1 68 GLU QG . . 4.340 3.566 3.084 4.057 . 0 0 "[ . 1 . 2]" 1
1475 1 67 THR HA 1 67 THR MG . . 3.360 2.265 2.057 2.454 . 0 0 "[ . 1 . 2]" 1
1476 1 67 THR MG 1 68 GLU H . . 4.280 4.304 4.048 4.397 0.117 6 0 "[ . 1 . 2]" 1
1477 1 68 GLU H 1 68 GLU QB . . 2.930 2.607 2.394 2.875 . 0 0 "[ . 1 . 2]" 1
1478 1 68 GLU H 1 68 GLU QG . . 3.610 2.761 2.147 3.251 . 0 0 "[ . 1 . 2]" 1
1479 1 68 GLU H 1 69 GLY H . . 4.580 4.459 4.315 4.621 0.041 11 0 "[ . 1 . 2]" 1
1480 1 68 GLU HA 1 68 GLU HG2 . . 4.140 2.791 2.482 3.597 . 0 0 "[ . 1 . 2]" 1
1481 1 68 GLU HA 1 68 GLU QG . . 3.620 2.584 2.371 2.755 . 0 0 "[ . 1 . 2]" 1
1482 1 68 GLU HA 1 68 GLU HG3 . . 4.140 3.252 2.621 3.782 . 0 0 "[ . 1 . 2]" 1
1483 1 68 GLU HA 1 69 GLY H . . 3.060 2.255 2.145 2.546 . 0 0 "[ . 1 . 2]" 1
1484 1 68 GLU QB 1 69 GLY H . . 3.770 2.807 2.115 3.280 . 0 0 "[ . 1 . 2]" 1
1485 1 68 GLU QB 1 73 LYS QE . . 4.320 3.841 2.175 4.328 0.008 6 0 "[ . 1 . 2]" 1
1486 1 68 GLU HB2 1 69 GLY H . . 4.410 3.921 3.381 4.240 . 0 0 "[ . 1 . 2]" 1
1487 1 68 GLU HB3 1 69 GLY H . . 4.410 2.880 2.137 3.415 . 0 0 "[ . 1 . 2]" 1
1488 1 68 GLU QG 1 73 LYS QE . . 4.870 4.720 2.570 5.722 0.852 4 3 "[ +. - 1 * 2]" 1
1489 1 68 GLU QG 1 73 LYS QG . . 5.340 4.480 3.942 5.090 . 0 0 "[ . 1 . 2]" 1
1490 1 68 GLU HG2 1 69 GLY H . . 4.790 4.542 3.951 5.064 0.274 6 0 "[ . 1 . 2]" 1
1491 1 68 GLU HG3 1 69 GLY H . . 4.790 4.965 4.633 5.094 0.304 11 0 "[ . 1 . 2]" 1
1492 1 69 GLY H 1 70 CYS H . . 4.810 4.558 4.505 4.609 . 0 0 "[ . 1 . 2]" 1
1493 1 69 GLY HA2 1 70 CYS H . . 3.540 2.519 2.449 2.576 . 0 0 "[ . 1 . 2]" 1
1494 1 69 GLY HA2 1 71 ILE H . . 4.950 4.490 4.343 4.657 . 0 0 "[ . 1 . 2]" 1
1495 1 69 GLY HA3 1 71 ILE H . . 4.530 3.863 3.672 4.095 . 0 0 "[ . 1 . 2]" 1
1496 1 70 CYS H 1 70 CYS HB2 . . 3.460 2.330 2.280 2.388 . 0 0 "[ . 1 . 2]" 1
1497 1 70 CYS H 1 70 CYS HB3 . . 3.580 3.572 3.526 3.599 0.019 11 0 "[ . 1 . 2]" 1
1498 1 70 CYS H 1 71 ILE H . . 3.610 2.158 1.986 2.250 . 0 0 "[ . 1 . 2]" 1
1499 1 70 CYS H 1 71 ILE HB . . 5.010 4.329 4.187 4.409 . 0 0 "[ . 1 . 2]" 1
1500 1 70 CYS H 1 71 ILE MD . . 4.670 4.327 3.955 4.528 . 0 0 "[ . 1 . 2]" 1
1501 1 70 CYS H 1 71 ILE MG . . 5.500 5.458 5.320 5.525 0.025 18 0 "[ . 1 . 2]" 1
1502 1 70 CYS H 1 73 LYS QB . . 5.500 4.775 4.422 5.290 . 0 0 "[ . 1 . 2]" 1
1503 1 70 CYS H 1 73 LYS QG . . 5.130 4.887 4.492 5.128 . 0 0 "[ . 1 . 2]" 1
1504 1 70 CYS H 1 74 VAL QG . . 5.500 5.211 5.035 5.446 . 0 0 "[ . 1 . 2]" 1
1505 1 70 CYS HA 1 73 LYS H . . 3.650 3.194 3.091 3.328 . 0 0 "[ . 1 . 2]" 1
1506 1 70 CYS HA 1 73 LYS QB . . 3.640 2.308 2.068 2.681 . 0 0 "[ . 1 . 2]" 1
1507 1 70 CYS HA 1 73 LYS QG . . 4.040 3.171 2.636 3.434 . 0 0 "[ . 1 . 2]" 1
1508 1 70 CYS HA 1 74 VAL H . . 4.410 3.641 3.400 3.959 . 0 0 "[ . 1 . 2]" 1
1509 1 70 CYS HA 1 74 VAL QG . . 5.090 3.487 3.243 4.323 . 0 0 "[ . 1 . 2]" 1
1510 1 70 CYS HB2 1 71 ILE H . . 5.380 2.779 2.600 2.959 . 0 0 "[ . 1 . 2]" 1
1511 1 70 CYS HB2 1 71 ILE MD . . 5.110 4.636 4.457 4.800 . 0 0 "[ . 1 . 2]" 1
1512 1 70 CYS HB2 1 74 VAL QG . . 5.500 4.319 4.037 4.848 . 0 0 "[ . 1 . 2]" 1
1513 1 70 CYS HB3 1 71 ILE H . . 4.860 3.418 3.206 3.568 . 0 0 "[ . 1 . 2]" 1
1514 1 70 CYS HB3 1 74 VAL QG . . 4.800 2.998 2.729 3.668 . 0 0 "[ . 1 . 2]" 1
1515 1 71 ILE H 1 71 ILE HB . . 3.180 2.570 2.521 2.604 . 0 0 "[ . 1 . 2]" 1
1516 1 71 ILE H 1 71 ILE MD . . 3.680 3.245 3.070 3.401 . 0 0 "[ . 1 . 2]" 1
1517 1 71 ILE H 1 71 ILE HG12 . . 3.750 3.521 3.429 3.677 . 0 0 "[ . 1 . 2]" 1
1518 1 71 ILE H 1 71 ILE HG13 . . 4.010 2.038 1.979 2.175 . 0 0 "[ . 1 . 2]" 1
1519 1 71 ILE H 1 71 ILE MG . . 3.820 3.764 3.763 3.766 . 0 0 "[ . 1 . 2]" 1
1520 1 71 ILE H 1 72 LYS H . . 3.630 2.724 2.598 2.917 . 0 0 "[ . 1 . 2]" 1
1521 1 71 ILE H 1 73 LYS H . . 4.640 4.135 3.957 4.336 . 0 0 "[ . 1 . 2]" 1
1522 1 71 ILE H 1 74 VAL H . . 5.340 4.844 4.746 4.924 . 0 0 "[ . 1 . 2]" 1
1523 1 71 ILE H 1 74 VAL QG . . 4.630 4.420 4.054 4.681 0.051 16 0 "[ . 1 . 2]" 1
1524 1 71 ILE HA 1 71 ILE MD . . 3.970 3.881 3.872 3.886 . 0 0 "[ . 1 . 2]" 1
1525 1 71 ILE HA 1 71 ILE HG12 . . 3.740 2.745 2.644 2.865 . 0 0 "[ . 1 . 2]" 1
1526 1 71 ILE HA 1 71 ILE HG13 . . 3.800 2.769 2.649 2.881 . 0 0 "[ . 1 . 2]" 1
1527 1 71 ILE HA 1 71 ILE MG . . 3.330 2.330 2.299 2.398 . 0 0 "[ . 1 . 2]" 1
1528 1 71 ILE HA 1 74 VAL H . . 4.630 3.948 3.655 4.089 . 0 0 "[ . 1 . 2]" 1
1529 1 71 ILE HA 1 74 VAL HB . . 4.950 3.353 3.074 4.727 . 0 0 "[ . 1 . 2]" 1
1530 1 71 ILE HA 1 74 VAL QG . . 3.660 3.318 2.363 3.509 . 0 0 "[ . 1 . 2]" 1
1531 1 71 ILE HB 1 71 ILE MD . . 3.330 2.165 2.103 2.303 . 0 0 "[ . 1 . 2]" 1
1532 1 71 ILE HB 1 72 LYS H . . 3.950 2.765 2.332 2.911 . 0 0 "[ . 1 . 2]" 1
1533 1 71 ILE HB 1 72 LYS QG . . 4.630 3.386 2.914 3.976 . 0 0 "[ . 1 . 2]" 1
1534 1 71 ILE MD 1 71 ILE MG . . 2.560 2.329 2.208 2.443 . 0 0 "[ . 1 . 2]" 1
1535 1 71 ILE MD 1 72 LYS H . . 4.580 4.443 3.978 4.606 0.026 8 0 "[ . 1 . 2]" 1
1536 1 71 ILE HG12 1 71 ILE MG . . 3.620 2.238 2.139 2.294 . 0 0 "[ . 1 . 2]" 1
1537 1 71 ILE HG13 1 71 ILE MG . . 3.610 3.165 3.131 3.180 . 0 0 "[ . 1 . 2]" 1
1538 1 71 ILE HG13 1 72 LYS H . . 4.490 4.286 4.229 4.352 . 0 0 "[ . 1 . 2]" 1
1539 1 71 ILE MG 1 72 LYS H . . 4.560 3.579 3.217 3.716 . 0 0 "[ . 1 . 2]" 1
1540 1 71 ILE MG 1 72 LYS HA . . 4.110 3.589 3.392 3.729 . 0 0 "[ . 1 . 2]" 1
1541 1 71 ILE MG 1 72 LYS QG . . 4.520 3.603 3.322 4.549 0.029 19 0 "[ . 1 . 2]" 1
1542 1 72 LYS H 1 72 LYS QB . . 2.710 2.402 2.160 2.640 . 0 0 "[ . 1 . 2]" 1
1543 1 72 LYS H 1 72 LYS QD . . 4.070 3.388 1.967 4.074 0.004 20 0 "[ . 1 . 2]" 1
1544 1 72 LYS H 1 72 LYS QE . . 5.450 4.350 2.848 5.071 . 0 0 "[ . 1 . 2]" 1
1545 1 72 LYS H 1 72 LYS QG . . 3.210 2.561 1.915 3.213 0.003 20 0 "[ . 1 . 2]" 1
1546 1 72 LYS H 1 73 LYS H . . 3.670 2.407 2.342 2.576 . 0 0 "[ . 1 . 2]" 1
1547 1 72 LYS HA 1 72 LYS HD2 . . 4.650 3.678 2.077 4.648 . 0 0 "[ . 1 . 2]" 1
1548 1 72 LYS HA 1 72 LYS HD3 . . 4.650 3.814 2.226 4.678 0.028 20 0 "[ . 1 . 2]" 1
1549 1 72 LYS HA 1 72 LYS QE . . 5.360 4.266 2.339 5.377 0.017 19 0 "[ . 1 . 2]" 1
1550 1 72 LYS HA 1 72 LYS QG . . 3.450 2.644 2.226 3.371 . 0 0 "[ . 1 . 2]" 1
1551 1 72 LYS HA 1 74 VAL H . . 5.400 4.661 4.294 4.888 . 0 0 "[ . 1 . 2]" 1
1552 1 72 LYS HA 1 74 VAL QG . . 4.640 5.346 4.377 5.584 0.944 17 19 "[* **************+*-*]" 1
1553 1 72 LYS QB 1 73 LYS H . . 3.280 2.699 2.501 3.358 0.078 19 0 "[ . 1 . 2]" 1
1554 1 72 LYS QB 1 73 LYS QE . . 5.240 4.800 4.001 5.506 0.266 4 0 "[ . 1 . 2]" 1
1555 1 72 LYS QD 1 73 LYS H . . 5.120 4.525 2.449 4.985 . 0 0 "[ . 1 . 2]" 1
1556 1 73 LYS H 1 73 LYS QB . . 3.120 2.268 2.142 2.461 . 0 0 "[ . 1 . 2]" 1
1557 1 73 LYS H 1 73 LYS QD . . 4.810 4.159 3.290 4.618 . 0 0 "[ . 1 . 2]" 1
1558 1 73 LYS H 1 73 LYS QE . . 4.920 4.372 4.065 4.648 . 0 0 "[ . 1 . 2]" 1
1559 1 73 LYS H 1 73 LYS QG . . 2.920 2.615 2.168 2.918 . 0 0 "[ . 1 . 2]" 1
1560 1 73 LYS H 1 74 VAL H . . 3.630 2.702 2.585 2.806 . 0 0 "[ . 1 . 2]" 1
1561 1 73 LYS H 1 74 VAL QG . . 4.010 4.026 3.729 4.125 0.115 1 0 "[ . 1 . 2]" 1
1562 1 73 LYS H 1 76 ASP QB . . 5.340 4.843 4.483 5.360 0.020 7 0 "[ . 1 . 2]" 1
1563 1 73 LYS HA 1 73 LYS QD . . 3.270 2.664 1.989 3.265 . 0 0 "[ . 1 . 2]" 1
1564 1 73 LYS HA 1 73 LYS QE . . 3.900 2.509 1.948 3.615 . 0 0 "[ . 1 . 2]" 1
1565 1 73 LYS HA 1 74 VAL QG . . 5.400 4.734 4.670 4.759 . 0 0 "[ . 1 . 2]" 1
1566 1 73 LYS HA 1 76 ASP H . . 4.140 3.473 3.321 3.674 . 0 0 "[ . 1 . 2]" 1
1567 1 73 LYS HA 1 76 ASP QB . . 3.810 2.738 2.287 3.168 . 0 0 "[ . 1 . 2]" 1
1568 1 73 LYS QB 1 73 LYS QE . . 4.350 2.689 1.946 3.658 . 0 0 "[ . 1 . 2]" 1
1569 1 73 LYS QB 1 74 VAL H . . 3.220 2.471 2.288 2.704 . 0 0 "[ . 1 . 2]" 1
1570 1 73 LYS QB 1 76 ASP H . . 5.240 4.792 4.673 4.937 . 0 0 "[ . 1 . 2]" 1
1571 1 73 LYS QD 1 76 ASP QB . . 5.150 4.131 3.423 4.677 . 0 0 "[ . 1 . 2]" 1
1572 1 73 LYS QE 1 73 LYS QG . . 3.450 2.201 2.021 2.810 . 0 0 "[ . 1 . 2]" 1
1573 1 73 LYS QG 1 74 VAL H . . 4.170 4.161 3.896 4.401 0.231 19 0 "[ . 1 . 2]" 1
1574 1 74 VAL H 1 74 VAL HB . . 3.660 2.563 2.501 2.632 . 0 0 "[ . 1 . 2]" 1
1575 1 74 VAL H 1 74 VAL QG . . 2.750 2.014 1.928 2.163 . 0 0 "[ . 1 . 2]" 1
1576 1 74 VAL H 1 75 SER H . . 3.460 2.703 2.529 2.849 . 0 0 "[ . 1 . 2]" 1
1577 1 74 VAL H 1 75 SER QB . . 5.340 4.458 4.300 4.559 . 0 0 "[ . 1 . 2]" 1
1578 1 74 VAL H 1 76 ASP QB . . 5.300 4.881 4.593 5.087 . 0 0 "[ . 1 . 2]" 1
1579 1 74 VAL HA 1 74 VAL QG . . 3.160 2.126 2.103 2.278 . 0 0 "[ . 1 . 2]" 1
1580 1 74 VAL HA 1 76 ASP H . . 4.950 4.321 4.080 4.497 . 0 0 "[ . 1 . 2]" 1
1581 1 74 VAL HA 1 77 LEU H . . 4.080 3.769 3.617 3.838 . 0 0 "[ . 1 . 2]" 1
1582 1 74 VAL HA 1 77 LEU HB2 . . 5.500 5.391 5.212 5.507 0.007 4 0 "[ . 1 . 2]" 1
1583 1 74 VAL HA 1 77 LEU MD2 . . 3.300 2.171 1.962 2.440 . 0 0 "[ . 1 . 2]" 1
1584 1 74 VAL HA 1 77 LEU HG . . 3.740 2.901 2.570 3.278 . 0 0 "[ . 1 . 2]" 1
1585 1 74 VAL HB 1 75 SER H . . 4.090 2.746 2.347 3.976 . 0 0 "[ . 1 . 2]" 1
1586 1 74 VAL QG 1 75 SER H . . 3.090 3.217 2.066 3.357 0.267 7 0 "[ . 1 . 2]" 1
1587 1 74 VAL QG 1 75 SER HA . . 3.950 3.541 3.119 3.621 . 0 0 "[ . 1 . 2]" 1
1588 1 74 VAL QG 1 75 SER QB . . 4.460 4.037 2.973 4.225 . 0 0 "[ . 1 . 2]" 1
1589 1 74 VAL QG 1 76 ASP H . . 4.460 4.547 3.999 4.682 0.222 13 0 "[ . 1 . 2]" 1
1590 1 75 SER H 1 75 SER QB . . 2.880 2.209 2.056 2.273 . 0 0 "[ . 1 . 2]" 1
1591 1 75 SER QB 1 76 ASP H . . 3.330 2.783 2.684 3.201 . 0 0 "[ . 1 . 2]" 1
1592 1 75 SER QB 1 77 LEU H . . 5.340 5.093 4.966 5.350 0.010 4 0 "[ . 1 . 2]" 1
1593 1 76 ASP H 1 76 ASP HB2 . . 3.460 2.389 2.085 2.732 . 0 0 "[ . 1 . 2]" 1
1594 1 76 ASP H 1 76 ASP QB . . 2.790 2.196 2.066 2.256 . 0 0 "[ . 1 . 2]" 1
1595 1 76 ASP H 1 76 ASP HB3 . . 3.460 2.760 2.343 3.440 . 0 0 "[ . 1 . 2]" 1
1596 1 76 ASP H 1 77 LEU H . . 3.190 2.839 2.738 2.947 . 0 0 "[ . 1 . 2]" 1
1597 1 76 ASP H 1 77 LEU HB3 . . 5.500 5.127 4.942 5.407 . 0 0 "[ . 1 . 2]" 1
1598 1 76 ASP QB 1 77 LEU H . . 3.300 2.357 2.239 2.551 . 0 0 "[ . 1 . 2]" 1
1599 1 76 ASP HB2 1 77 LEU H . . 3.970 3.541 2.749 3.861 . 0 0 "[ . 1 . 2]" 1
1600 1 76 ASP HB3 1 77 LEU H . . 3.970 2.433 2.262 2.952 . 0 0 "[ . 1 . 2]" 1
1601 1 77 LEU H 1 77 LEU HB2 . . 3.760 3.582 3.564 3.610 . 0 0 "[ . 1 . 2]" 1
1602 1 77 LEU H 1 77 LEU HB3 . . 2.780 2.399 2.337 2.639 . 0 0 "[ . 1 . 2]" 1
1603 1 77 LEU H 1 77 LEU MD1 . . 4.040 3.946 3.561 4.075 0.035 4 0 "[ . 1 . 2]" 1
1604 1 77 LEU H 1 77 LEU MD2 . . 3.710 3.082 2.827 3.182 . 0 0 "[ . 1 . 2]" 1
1605 1 77 LEU H 1 77 LEU HG . . 2.750 2.571 2.053 2.727 . 0 0 "[ . 1 . 2]" 1
1606 1 77 LEU H 1 78 SER H . . 3.020 2.476 2.374 2.536 . 0 0 "[ . 1 . 2]" 1
1607 1 77 LEU H 1 78 SER QB . . 4.870 4.224 4.139 4.305 . 0 0 "[ . 1 . 2]" 1
1608 1 77 LEU HA 1 77 LEU MD1 . . 3.520 3.500 3.426 3.601 0.081 18 0 "[ . 1 . 2]" 1
1609 1 77 LEU HA 1 77 LEU MD2 . . 4.190 4.089 4.048 4.107 . 0 0 "[ . 1 . 2]" 1
1610 1 77 LEU HA 1 78 SER H . . 3.540 3.479 3.449 3.511 . 0 0 "[ . 1 . 2]" 1
1611 1 77 LEU HB2 1 77 LEU MD1 . . 3.230 2.029 1.966 2.141 . 0 0 "[ . 1 . 2]" 1
1612 1 77 LEU HB2 1 77 LEU MD2 . . 3.390 2.694 2.622 2.826 . 0 0 "[ . 1 . 2]" 1
1613 1 77 LEU HB2 1 78 SER H . . 4.150 4.074 3.793 4.175 0.025 4 0 "[ . 1 . 2]" 1
1614 1 77 LEU HB3 1 77 LEU MD1 . . 3.210 3.100 3.053 3.122 . 0 0 "[ . 1 . 2]" 1
1615 1 77 LEU HB3 1 77 LEU MD2 . . 3.160 2.096 1.966 2.187 . 0 0 "[ . 1 . 2]" 1
1616 1 77 LEU HB3 1 78 SER H . . 3.980 3.879 3.807 3.979 . 0 0 "[ . 1 . 2]" 1
1617 1 77 LEU MD1 1 78 SER H . . 3.800 3.128 2.484 3.597 . 0 0 "[ . 1 . 2]" 1
1618 1 77 LEU MD1 1 78 SER QB . . 4.000 3.303 2.634 3.866 . 0 0 "[ . 1 . 2]" 1
1619 1 77 LEU MD2 1 78 SER H . . 4.200 3.836 3.732 3.934 . 0 0 "[ . 1 . 2]" 1
1620 1 77 LEU HG 1 78 SER H . . 3.590 2.202 2.046 2.305 . 0 0 "[ . 1 . 2]" 1
1621 1 78 SER H 1 78 SER QB . . 2.740 2.223 2.112 2.269 . 0 0 "[ . 1 . 2]" 1
1622 1 78 SER H 1 79 LYS H . . 3.310 2.721 2.529 2.884 . 0 0 "[ . 1 . 2]" 1
1623 1 78 SER QB 1 79 LYS HA . . 4.710 4.363 4.036 4.645 . 0 0 "[ . 1 . 2]" 1
1624 1 78 SER HB2 1 79 LYS H . . 4.060 3.899 3.707 4.059 . 0 0 "[ . 1 . 2]" 1
1625 1 78 SER HB3 1 79 LYS H . . 4.060 2.577 2.277 2.863 . 0 0 "[ . 1 . 2]" 1
1626 1 79 LYS H 1 79 LYS HB2 . . 3.720 2.980 2.319 3.640 . 0 0 "[ . 1 . 2]" 1
1627 1 79 LYS H 1 79 LYS QB . . 3.120 2.475 2.291 2.588 . 0 0 "[ . 1 . 2]" 1
1628 1 79 LYS H 1 79 LYS HB3 . . 3.720 3.167 2.458 3.718 . 0 0 "[ . 1 . 2]" 1
1629 1 79 LYS H 1 79 LYS QD . . 4.910 4.061 3.608 4.794 . 0 0 "[ . 1 . 2]" 1
1630 1 79 LYS H 1 79 LYS QE . . 5.230 4.475 3.477 4.920 . 0 0 "[ . 1 . 2]" 1
1631 1 79 LYS H 1 79 LYS HG2 . . 4.390 3.020 2.079 4.168 . 0 0 "[ . 1 . 2]" 1
1632 1 79 LYS H 1 79 LYS HG3 . . 4.390 2.996 2.001 3.789 . 0 0 "[ . 1 . 2]" 1
1633 1 79 LYS H 1 80 ALA H . . 3.460 2.618 2.278 3.055 . 0 0 "[ . 1 . 2]" 1
1634 1 79 LYS HA 1 79 LYS QD . . 4.660 3.838 2.086 4.448 . 0 0 "[ . 1 . 2]" 1
1635 1 79 LYS HA 1 79 LYS QE . . 5.190 4.472 3.345 5.128 . 0 0 "[ . 1 . 2]" 1
1636 1 79 LYS QB 1 80 ALA H . . 3.870 3.560 2.847 3.853 . 0 0 "[ . 1 . 2]" 1
1637 1 79 LYS HB2 1 80 ALA H . . 4.510 3.896 2.919 4.266 . 0 0 "[ . 1 . 2]" 1
1638 1 79 LYS HB3 1 80 ALA H . . 4.510 4.177 3.830 4.503 . 0 0 "[ . 1 . 2]" 1
1639 1 80 ALA H 1 80 ALA HA . . 2.920 2.815 2.760 2.896 . 0 0 "[ . 1 . 2]" 1
1640 1 80 ALA H 1 80 ALA MB . . 3.070 2.174 2.026 2.275 . 0 0 "[ . 1 . 2]" 1
1641 1 80 ALA HA 1 81 HIS H . . 2.850 2.219 2.146 2.319 . 0 0 "[ . 1 . 2]" 1
1642 1 80 ALA MB 1 81 HIS H . . 3.830 2.873 2.553 3.146 . 0 0 "[ . 1 . 2]" 1
1643 1 81 HIS H 1 81 HIS QB . . 3.480 2.853 2.502 3.191 . 0 0 "[ . 1 . 2]" 1
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