NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484201 |
2glo   |
7097 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2glo
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 1126
_Distance_constraint_stats_list.Viol_count 2744
_Distance_constraint_stats_list.Viol_total 7909.819
_Distance_constraint_stats_list.Viol_max 1.460
_Distance_constraint_stats_list.Viol_rms 0.0601
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0176
_Distance_constraint_stats_list.Viol_average_violations_only 0.1441
_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
3 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
3 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 3 ARG 6.906 0.311 14 0 "[ . 1 . 2]"
3 4 ARG 16.396 0.465 16 0 "[ . 1 . 2]"
3 5 ILE 5.675 0.313 20 0 "[ . 1 . 2]"
3 6 PHE 24.078 0.571 16 2 "[ . 1 -.+ 2]"
3 7 THR 18.741 0.571 16 2 "[ . 1 -.+ 2]"
3 8 PRO 18.525 0.332 20 0 "[ . 1 . 2]"
3 9 HIS 17.430 0.332 20 0 "[ . 1 . 2]"
3 10 PHE 25.573 0.325 9 0 "[ . 1 . 2]"
3 11 LYS 28.005 0.294 6 0 "[ . 1 . 2]"
3 12 LEU 39.855 0.324 20 0 "[ . 1 . 2]"
3 13 GLN 17.089 0.285 6 0 "[ . 1 . 2]"
3 14 VAL 36.361 0.375 16 0 "[ . 1 . 2]"
3 15 LEU 44.667 0.375 16 0 "[ . 1 . 2]"
3 16 GLU 6.626 0.213 16 0 "[ . 1 . 2]"
3 17 SER 7.843 0.249 8 0 "[ . 1 . 2]"
3 18 TYR 30.647 0.316 20 0 "[ . 1 . 2]"
3 19 ARG 13.522 0.310 18 0 "[ . 1 . 2]"
3 20 ASN 7.834 0.271 4 0 "[ . 1 . 2]"
3 21 ASP 20.810 0.311 13 0 "[ . 1 . 2]"
3 22 ASN 1.594 0.104 10 0 "[ . 1 . 2]"
3 23 ASP 4.421 0.251 1 0 "[ . 1 . 2]"
3 24 CYS 17.415 0.311 13 0 "[ . 1 . 2]"
3 25 LYS 17.162 0.271 4 0 "[ . 1 . 2]"
3 26 GLY 4.244 0.230 7 0 "[ . 1 . 2]"
3 27 ASN 17.589 0.304 6 0 "[ . 1 . 2]"
3 28 GLN 11.583 0.359 6 0 "[ . 1 . 2]"
3 29 ARG 8.051 0.359 6 0 "[ . 1 . 2]"
3 30 ALA 3.335 0.177 13 0 "[ . 1 . 2]"
3 31 THR 4.348 0.135 7 0 "[ . 1 . 2]"
3 32 ALA 10.292 0.229 12 0 "[ . 1 . 2]"
3 33 ARG 3.947 0.129 13 0 "[ . 1 . 2]"
3 34 LYS 0.611 0.067 14 0 "[ . 1 . 2]"
3 35 TYR 12.691 0.219 20 0 "[ . 1 . 2]"
3 36 ASN 10.306 0.229 12 0 "[ . 1 . 2]"
3 37 ILE 4.937 0.133 16 0 "[ . 1 . 2]"
3 38 HIS 1.721 0.125 19 0 "[ . 1 . 2]"
3 39 ARG 9.146 0.239 9 0 "[ . 1 . 2]"
3 40 ARG 14.800 1.460 16 4 "[ . -1 * *.+ 2]"
3 41 GLN 8.679 0.285 6 0 "[ . 1 . 2]"
3 42 ILE 21.760 0.320 4 0 "[ . 1 . 2]"
3 43 GLN 17.064 0.322 12 0 "[ . 1 . 2]"
3 44 LYS 22.907 1.460 16 4 "[ . -1 * *.+ 2]"
3 45 TRP 34.831 0.325 9 0 "[ . 1 . 2]"
3 46 LEU 17.537 0.328 8 0 "[ . 1 . 2]"
3 47 GLN 14.364 0.287 6 0 "[ . 1 . 2]"
3 48 CYS 14.066 0.328 8 0 "[ . 1 . 2]"
3 49 GLU 23.041 0.482 17 0 "[ . 1 . 2]"
3 50 SER 9.304 0.482 17 0 "[ . 1 . 2]"
3 51 ASN 3.387 0.157 4 0 "[ . 1 . 2]"
3 52 LEU 23.090 0.268 2 0 "[ . 1 . 2]"
3 53 ARG 3.300 0.179 16 0 "[ . 1 . 2]"
3 54 SER 3.277 0.179 16 0 "[ . 1 . 2]"
3 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 56 VAL 0.083 0.057 13 0 "[ . 1 . 2]"
3 57 ALA 0.097 0.057 13 0 "[ . 1 . 2]"
3 58 ASN 0.037 0.037 19 0 "[ . 1 . 2]"
3 59 ASN 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 3 1 GLY QA 3 2 SER H 3.151 . 4.851 2.283 2.123 2.793 . 0 0 "[ . 1 . 2]" 1
2 3 2 SER H 3 2 SER QB 3.292 . 4.992 2.689 2.249 3.348 . 0 0 "[ . 1 . 2]" 1
3 3 2 SER QB 3 3 ARG H 3.275 . 4.975 3.008 1.898 3.933 . 0 0 "[ . 1 . 2]" 1
4 3 3 ARG H 3 3 ARG QB 2.763 . 4.463 2.845 2.395 3.307 . 0 0 "[ . 1 . 2]" 1
5 3 3 ARG H 3 3 ARG QD 3.464 . 5.164 5.000 1.824 5.412 0.248 16 0 "[ . 1 . 2]" 1
6 3 3 ARG H 3 3 ARG QG 3.066 . 4.766 4.162 3.409 4.346 . 0 0 "[ . 1 . 2]" 1
7 3 3 ARG H 3 4 ARG HA 3.154 . 4.354 4.229 3.840 4.665 0.311 14 0 "[ . 1 . 2]" 1
8 3 3 ARG HA 3 3 ARG QD 3.161 . 4.661 3.827 3.251 4.201 . 0 0 "[ . 1 . 2]" 1
9 3 3 ARG HA 3 3 ARG QG 2.726 . 4.226 2.359 2.133 2.660 . 0 0 "[ . 1 . 2]" 1
10 3 3 ARG QB 3 3 ARG QD 2.582 . 4.332 2.349 2.185 2.628 . 0 0 "[ . 1 . 2]" 1
11 3 3 ARG QB 3 3 ARG HE 3.420 . 4.920 2.417 1.672 4.214 0.128 8 0 "[ . 1 . 2]" 1
12 3 3 ARG QB 3 3 ARG QG 2.201 . 3.951 2.042 2.002 2.078 . 0 0 "[ . 1 . 2]" 1
13 3 3 ARG QB 3 4 ARG H 3.329 . 5.029 3.956 3.597 4.077 . 0 0 "[ . 1 . 2]" 1
14 3 3 ARG QD 3 3 ARG HE 2.459 . 3.959 2.298 2.195 2.448 . 0 0 "[ . 1 . 2]" 1
15 3 3 ARG QD 3 4 ARG H 3.511 . 5.211 5.338 4.979 5.476 0.265 16 0 "[ . 1 . 2]" 1
16 3 3 ARG HE 3 3 ARG QG 2.920 . 4.420 2.840 2.361 3.296 . 0 0 "[ . 1 . 2]" 1
17 3 3 ARG QG 3 4 ARG H 3.042 . 4.742 3.567 3.305 4.554 . 0 0 "[ . 1 . 2]" 1
18 3 4 ARG H 3 4 ARG HA 2.541 . 3.741 2.855 2.823 2.892 . 0 0 "[ . 1 . 2]" 1
19 3 4 ARG H 3 4 ARG HB2 2.093 . 3.293 2.544 2.216 2.837 . 0 0 "[ . 1 . 2]" 1
20 3 4 ARG H 3 4 ARG HB3 2.276 . 3.476 3.589 3.501 3.658 0.182 11 0 "[ . 1 . 2]" 1
21 3 4 ARG H 3 4 ARG QD 3.099 . 4.799 3.671 1.700 4.387 0.100 20 0 "[ . 1 . 2]" 1
22 3 4 ARG H 3 4 ARG QG 2.622 . 4.322 2.393 1.929 3.450 . 0 0 "[ . 1 . 2]" 1
23 3 4 ARG HA 3 4 ARG HB2 2.330 . 3.330 2.967 2.928 3.013 . 0 0 "[ . 1 . 2]" 1
24 3 4 ARG HA 3 4 ARG HB3 2.271 . 3.271 2.410 2.268 2.637 . 0 0 "[ . 1 . 2]" 1
25 3 4 ARG HA 3 4 ARG QD 3.015 . 4.515 4.105 3.627 4.265 . 0 0 "[ . 1 . 2]" 1
26 3 4 ARG HA 3 4 ARG HE 2.950 . 3.950 4.018 3.257 4.414 0.465 16 0 "[ . 1 . 2]" 1
27 3 4 ARG HA 3 4 ARG QG 2.395 . 3.895 2.500 2.096 2.670 . 0 0 "[ . 1 . 2]" 1
28 3 4 ARG HA 3 5 ILE H 2.030 . 3.230 2.397 2.255 2.581 . 0 0 "[ . 1 . 2]" 1
29 3 4 ARG HB2 3 4 ARG QD 2.562 . 4.062 2.585 2.294 3.155 . 0 0 "[ . 1 . 2]" 1
30 3 4 ARG HB2 3 4 ARG HE 1.981 . 2.981 2.356 1.570 3.069 0.230 20 0 "[ . 1 . 2]" 1
31 3 4 ARG HB2 3 4 ARG QG 2.299 . 3.799 2.389 2.256 2.522 . 0 0 "[ . 1 . 2]" 1
32 3 4 ARG HB2 3 5 ILE H 2.201 . 3.401 3.355 2.938 3.516 0.115 3 0 "[ . 1 . 2]" 1
33 3 4 ARG HB2 3 6 PHE HZ 3.385 . 4.385 4.103 3.360 4.625 0.240 12 0 "[ . 1 . 2]" 1
34 3 4 ARG HB3 3 4 ARG QD 2.465 . 3.965 2.867 2.479 3.542 . 0 0 "[ . 1 . 2]" 1
35 3 4 ARG HB3 3 4 ARG HE 2.141 . 3.141 2.349 1.801 3.285 0.143 9 0 "[ . 1 . 2]" 1
36 3 4 ARG HB3 3 4 ARG QG 2.340 . 3.840 2.298 2.137 2.425 . 0 0 "[ . 1 . 2]" 1
37 3 4 ARG HB3 3 5 ILE H 2.104 . 3.304 2.291 1.838 2.598 . 0 0 "[ . 1 . 2]" 1
38 3 4 ARG QD 3 4 ARG HE 2.216 . 3.716 2.433 2.337 2.480 . 0 0 "[ . 1 . 2]" 1
39 3 4 ARG QD 3 4 ARG QG 2.299 . 4.049 1.993 1.938 2.020 . 0 0 "[ . 1 . 2]" 1
40 3 4 ARG QD 3 5 ILE H 3.200 . 4.900 4.827 4.157 5.214 0.313 20 0 "[ . 1 . 2]" 1
41 3 4 ARG QD 3 6 PHE HZ 3.542 . 5.042 4.572 2.895 5.169 0.127 20 0 "[ . 1 . 2]" 1
42 3 4 ARG HE 3 4 ARG QG 2.519 . 4.019 2.610 2.392 2.989 . 0 0 "[ . 1 . 2]" 1
43 3 4 ARG QG 3 5 ILE H 3.022 . 4.722 3.829 3.149 4.175 . 0 0 "[ . 1 . 2]" 1
44 3 5 ILE H 3 5 ILE HA 2.928 . 4.128 2.907 2.897 2.919 . 0 0 "[ . 1 . 2]" 1
45 3 5 ILE H 3 5 ILE HB 2.588 . 3.788 3.336 2.969 3.736 . 0 0 "[ . 1 . 2]" 1
46 3 5 ILE H 3 5 ILE MD 4.339 . 6.039 4.099 1.797 4.505 0.003 19 0 "[ . 1 . 2]" 1
47 3 5 ILE H 3 5 ILE QG 3.096 . 4.796 3.273 2.179 4.035 . 0 0 "[ . 1 . 2]" 1
48 3 5 ILE H 3 5 ILE MG 4.227 . 5.927 2.067 1.813 2.400 . 0 0 "[ . 1 . 2]" 1
49 3 5 ILE HA 3 5 ILE HB 2.785 . 3.785 2.367 2.331 2.389 . 0 0 "[ . 1 . 2]" 1
50 3 5 ILE HA 3 5 ILE MD 3.298 . 4.798 3.268 2.218 4.154 . 0 0 "[ . 1 . 2]" 1
51 3 5 ILE HA 3 5 ILE QG 2.765 . 4.265 3.105 2.519 3.422 . 0 0 "[ . 1 . 2]" 1
52 3 5 ILE HA 3 5 ILE MG 2.880 . 4.380 2.841 2.340 3.200 . 0 0 "[ . 1 . 2]" 1
53 3 5 ILE HA 3 6 PHE H 2.172 . 3.372 2.070 1.971 2.150 . 0 0 "[ . 1 . 2]" 1
54 3 5 ILE HB 3 5 ILE MD 2.723 . 4.223 2.388 2.250 3.207 . 0 0 "[ . 1 . 2]" 1
55 3 5 ILE HB 3 5 ILE QG 2.335 . 3.835 2.411 2.192 2.447 . 0 0 "[ . 1 . 2]" 1
56 3 5 ILE HB 3 6 PHE H 3.486 . 4.686 3.939 3.217 4.350 . 0 0 "[ . 1 . 2]" 1
57 3 5 ILE QG 3 5 ILE MG 2.707 . 4.457 2.183 2.074 2.393 . 0 0 "[ . 1 . 2]" 1
58 3 5 ILE QG 3 6 PHE H 3.696 . 5.396 3.627 2.714 4.255 . 0 0 "[ . 1 . 2]" 1
59 3 5 ILE QG 3 6 PHE HA 2.402 . 3.902 4.061 3.931 4.177 0.275 17 0 "[ . 1 . 2]" 1
60 3 5 ILE QG 3 6 PHE QD 3.783 . 5.533 4.878 4.331 5.350 . 0 0 "[ . 1 . 2]" 1
61 3 5 ILE MG 3 6 PHE H 3.645 . 5.345 4.167 4.030 4.327 . 0 0 "[ . 1 . 2]" 1
62 3 5 ILE MG 3 6 PHE QD 3.817 . 5.567 4.886 4.610 5.217 . 0 0 "[ . 1 . 2]" 1
63 3 6 PHE H 3 6 PHE HA 2.406 . 3.606 2.903 2.879 2.924 . 0 0 "[ . 1 . 2]" 1
64 3 6 PHE H 3 6 PHE HB2 2.935 . 4.135 2.330 2.221 2.445 . 0 0 "[ . 1 . 2]" 1
65 3 6 PHE H 3 6 PHE HB3 3.132 . 4.332 3.567 3.511 3.629 . 0 0 "[ . 1 . 2]" 1
66 3 6 PHE H 3 6 PHE QD 3.198 . 4.898 2.198 1.920 2.401 . 0 0 "[ . 1 . 2]" 1
67 3 6 PHE H 3 7 THR MG 5.458 . 7.158 5.050 4.956 5.211 . 0 0 "[ . 1 . 2]" 1
68 3 6 PHE HA 3 6 PHE HB2 2.787 . 3.787 3.000 2.979 3.023 . 0 0 "[ . 1 . 2]" 1
69 3 6 PHE HA 3 6 PHE HB3 2.619 . 3.619 2.500 2.448 2.545 . 0 0 "[ . 1 . 2]" 1
70 3 6 PHE HA 3 7 THR H 1.948 . 3.148 2.070 2.052 2.097 . 0 0 "[ . 1 . 2]" 1
71 3 6 PHE HA 3 7 THR MG 4.194 . 5.694 3.963 3.908 4.042 . 0 0 "[ . 1 . 2]" 1
72 3 6 PHE HB2 3 6 PHE QE 2.642 . 4.142 4.384 4.330 4.420 0.278 13 0 "[ . 1 . 2]" 1
73 3 6 PHE HB2 3 7 THR H 3.457 . 4.657 4.200 4.096 4.283 . 0 0 "[ . 1 . 2]" 1
74 3 6 PHE HB2 3 7 THR MG 5.381 . 6.881 5.605 5.536 5.638 . 0 0 "[ . 1 . 2]" 1
75 3 6 PHE HB2 3 11 LYS QD 3.679 . 5.179 4.254 4.061 4.458 . 0 0 "[ . 1 . 2]" 1
76 3 6 PHE HB3 3 6 PHE QE 3.185 . 4.685 4.312 4.281 4.352 . 0 0 "[ . 1 . 2]" 1
77 3 6 PHE HB3 3 7 THR H 3.158 . 4.358 3.250 3.087 3.380 . 0 0 "[ . 1 . 2]" 1
78 3 6 PHE HB3 3 7 THR MG 5.657 . 7.157 5.250 5.151 5.314 . 0 0 "[ . 1 . 2]" 1
79 3 6 PHE HB3 3 11 LYS QD 3.617 . 5.117 3.552 3.443 3.728 . 0 0 "[ . 1 . 2]" 1
80 3 6 PHE HB3 3 11 LYS QG 3.624 . 5.124 2.624 2.486 2.775 . 0 0 "[ . 1 . 2]" 1
81 3 6 PHE QD 3 7 THR H 3.323 . 5.023 4.341 4.140 4.450 . 0 0 "[ . 1 . 2]" 1
82 3 6 PHE QD 3 7 THR MG 5.022 . 6.772 5.785 5.650 5.865 . 0 0 "[ . 1 . 2]" 1
83 3 6 PHE QD 3 45 TRP HH2 3.330 . 4.830 2.203 1.907 2.657 . 0 0 "[ . 1 . 2]" 1
84 3 6 PHE QD 3 45 TRP HZ2 2.603 . 4.103 2.401 1.910 3.021 . 0 0 "[ . 1 . 2]" 1
85 3 6 PHE QE 3 7 THR H 3.941 . 5.641 6.099 6.005 6.212 0.571 16 2 "[ . 1 -.+ 2]" 1
86 3 6 PHE QE 3 7 THR MG 5.321 . 7.071 7.292 7.223 7.348 0.278 14 0 "[ . 1 . 2]" 1
87 3 6 PHE QE 3 45 TRP HZ3 3.770 . 5.270 4.802 4.474 5.203 . 0 0 "[ . 1 . 2]" 1
88 3 6 PHE HZ 3 37 ILE MD 3.540 . 5.040 4.721 4.398 5.049 0.009 4 0 "[ . 1 . 2]" 1
89 3 7 THR H 3 7 THR MG 3.099 . 4.799 2.701 2.621 2.770 . 0 0 "[ . 1 . 2]" 1
90 3 7 THR H 3 8 PRO QD 3.210 . 4.910 4.470 4.460 4.477 . 0 0 "[ . 1 . 2]" 1
91 3 7 THR H 3 10 PHE HB2 2.421 . 3.621 3.388 3.248 3.538 . 0 0 "[ . 1 . 2]" 1
92 3 7 THR H 3 10 PHE HB3 2.272 . 3.472 2.652 2.532 2.779 . 0 0 "[ . 1 . 2]" 1
93 3 7 THR H 3 10 PHE QD 3.849 . 5.549 4.002 3.930 4.087 . 0 0 "[ . 1 . 2]" 1
94 3 7 THR HA 3 7 THR MG 3.200 . 4.700 2.229 2.200 2.264 . 0 0 "[ . 1 . 2]" 1
95 3 7 THR HA 3 8 PRO QB 3.703 . 5.203 4.736 4.703 4.766 . 0 0 "[ . 1 . 2]" 1
96 3 7 THR HA 3 8 PRO QD 2.028 . 3.528 2.197 2.160 2.246 . 0 0 "[ . 1 . 2]" 1
97 3 7 THR HA 3 8 PRO QG 3.485 . 4.985 4.088 4.048 4.139 . 0 0 "[ . 1 . 2]" 1
98 3 7 THR HB 3 8 PRO QB 3.403 . 4.903 4.765 4.653 4.848 . 0 0 "[ . 1 . 2]" 1
99 3 7 THR HB 3 8 PRO QD 2.221 . 3.721 2.205 2.025 2.317 . 0 0 "[ . 1 . 2]" 1
100 3 7 THR HB 3 8 PRO QG 3.528 . 5.028 3.567 3.446 3.657 . 0 0 "[ . 1 . 2]" 1
101 3 7 THR MG 3 8 PRO QB 3.403 . 5.153 5.412 5.352 5.483 0.329 14 0 "[ . 1 . 2]" 1
102 3 7 THR MG 3 8 PRO QD 3.186 . 4.936 2.732 2.653 2.839 . 0 0 "[ . 1 . 2]" 1
103 3 7 THR MG 3 8 PRO QG 3.329 . 5.079 4.291 4.217 4.379 . 0 0 "[ . 1 . 2]" 1
104 3 7 THR MG 3 9 HIS H 4.304 . 6.004 4.248 4.217 4.273 . 0 0 "[ . 1 . 2]" 1
105 3 7 THR MG 3 9 HIS HA 4.946 . 6.446 6.354 6.329 6.385 . 0 0 "[ . 1 . 2]" 1
106 3 7 THR MG 3 10 PHE H 4.590 . 6.290 4.266 4.213 4.313 . 0 0 "[ . 1 . 2]" 1
107 3 7 THR MG 3 10 PHE HB2 3.912 . 5.412 4.456 4.358 4.556 . 0 0 "[ . 1 . 2]" 1
108 3 7 THR MG 3 10 PHE HB3 3.669 . 5.169 4.481 4.380 4.578 . 0 0 "[ . 1 . 2]" 1
109 3 8 PRO HA 3 8 PRO QB 2.340 . 3.840 2.205 2.190 2.224 . 0 0 "[ . 1 . 2]" 1
110 3 8 PRO HA 3 8 PRO QG 2.592 . 4.092 3.519 3.509 3.528 . 0 0 "[ . 1 . 2]" 1
111 3 8 PRO HA 3 9 HIS H 2.915 . 4.115 3.567 3.558 3.580 . 0 0 "[ . 1 . 2]" 1
112 3 8 PRO HA 3 11 LYS H 2.983 . 4.183 3.241 3.197 3.290 . 0 0 "[ . 1 . 2]" 1
113 3 8 PRO HA 3 11 LYS HA 3.728 . 4.728 4.947 4.897 4.988 0.260 16 0 "[ . 1 . 2]" 1
114 3 8 PRO HA 3 11 LYS HB2 2.367 . 3.367 2.210 2.162 2.278 . 0 0 "[ . 1 . 2]" 1
115 3 8 PRO HA 3 11 LYS HB3 2.612 . 3.612 3.781 3.738 3.846 0.234 5 0 "[ . 1 . 2]" 1
116 3 8 PRO HA 3 11 LYS QG 2.557 . 4.057 3.375 3.334 3.418 . 0 0 "[ . 1 . 2]" 1
117 3 8 PRO HA 3 52 LEU MD2 4.028 . 5.528 2.926 2.813 3.053 . 0 0 "[ . 1 . 2]" 1
118 3 8 PRO QB 3 8 PRO QD 2.640 . 4.390 2.749 2.716 2.779 . 0 0 "[ . 1 . 2]" 1
119 3 8 PRO QB 3 9 HIS H 2.808 . 4.508 3.073 3.026 3.111 . 0 0 "[ . 1 . 2]" 1
120 3 8 PRO QB 3 11 LYS H 3.602 . 5.302 4.816 4.752 4.886 . 0 0 "[ . 1 . 2]" 1
121 3 8 PRO QB 3 55 SER QB 4.250 . 6.000 2.976 2.731 3.898 . 0 0 "[ . 1 . 2]" 1
122 3 8 PRO QD 3 8 PRO QG 2.278 . 4.028 1.969 1.960 1.986 . 0 0 "[ . 1 . 2]" 1
123 3 8 PRO QD 3 9 HIS H 2.669 . 4.369 2.845 2.819 2.875 . 0 0 "[ . 1 . 2]" 1
124 3 8 PRO QD 3 9 HIS HB2 3.452 . 4.952 5.231 5.199 5.284 0.332 20 0 "[ . 1 . 2]" 1
125 3 8 PRO QD 3 9 HIS HB3 3.281 . 4.781 4.274 4.224 4.322 . 0 0 "[ . 1 . 2]" 1
126 3 8 PRO QG 3 9 HIS H 3.384 . 5.084 2.349 2.316 2.385 . 0 0 "[ . 1 . 2]" 1
127 3 8 PRO QG 3 55 SER QB 4.022 . 5.772 3.351 2.948 4.308 . 0 0 "[ . 1 . 2]" 1
128 3 9 HIS H 3 9 HIS HA 2.741 . 3.941 2.816 2.804 2.827 . 0 0 "[ . 1 . 2]" 1
129 3 9 HIS H 3 9 HIS HB2 2.229 . 3.429 2.956 2.939 2.976 . 0 0 "[ . 1 . 2]" 1
130 3 9 HIS H 3 9 HIS HB3 2.267 . 3.467 2.201 2.185 2.217 . 0 0 "[ . 1 . 2]" 1
131 3 9 HIS HA 3 9 HIS HB2 2.444 . 3.444 2.323 2.312 2.334 . 0 0 "[ . 1 . 2]" 1
132 3 9 HIS HA 3 9 HIS HB3 2.493 . 3.493 2.990 2.985 2.997 . 0 0 "[ . 1 . 2]" 1
133 3 9 HIS HA 3 12 LEU H 3.235 . 4.435 3.498 3.466 3.534 . 0 0 "[ . 1 . 2]" 1
134 3 9 HIS HA 3 12 LEU HB2 2.648 . 3.648 2.495 2.476 2.516 . 0 0 "[ . 1 . 2]" 1
135 3 9 HIS HA 3 12 LEU HB3 2.920 . 3.920 4.097 4.071 4.133 0.213 11 0 "[ . 1 . 2]" 1
136 3 9 HIS HA 3 12 LEU MD2 3.191 . 4.691 4.870 4.852 4.883 0.193 12 0 "[ . 1 . 2]" 1
137 3 9 HIS HB3 3 9 HIS HD1 3.094 . 4.594 2.666 2.659 2.679 . 0 0 "[ . 1 . 2]" 1
138 3 9 HIS HB3 3 10 PHE HA 3.597 . 4.597 4.833 4.799 4.866 0.269 19 0 "[ . 1 . 2]" 1
139 3 9 HIS HD1 3 10 PHE HB3 3.951 . 5.451 4.973 4.863 5.047 . 0 0 "[ . 1 . 2]" 1
140 3 10 PHE H 3 10 PHE HA 2.536 . 3.736 2.837 2.830 2.846 . 0 0 "[ . 1 . 2]" 1
141 3 10 PHE H 3 10 PHE HB2 2.045 . 3.245 2.686 2.668 2.700 . 0 0 "[ . 1 . 2]" 1
142 3 10 PHE H 3 10 PHE HB3 1.953 . 3.153 2.466 2.457 2.479 . 0 0 "[ . 1 . 2]" 1
143 3 10 PHE H 3 10 PHE QD 3.482 . 5.182 4.198 4.189 4.211 . 0 0 "[ . 1 . 2]" 1
144 3 10 PHE HA 3 10 PHE HB2 2.227 . 3.227 2.433 2.423 2.438 . 0 0 "[ . 1 . 2]" 1
145 3 10 PHE HA 3 10 PHE HB3 2.391 . 3.391 3.015 3.013 3.020 . 0 0 "[ . 1 . 2]" 1
146 3 10 PHE HA 3 10 PHE QE 3.421 . 4.921 4.700 4.684 4.722 . 0 0 "[ . 1 . 2]" 1
147 3 10 PHE HA 3 11 LYS H 2.852 . 4.052 3.534 3.523 3.545 . 0 0 "[ . 1 . 2]" 1
148 3 10 PHE HA 3 13 GLN H 2.822 . 4.022 3.091 3.070 3.116 . 0 0 "[ . 1 . 2]" 1
149 3 10 PHE HA 3 13 GLN QB 2.664 . 3.664 2.136 2.106 2.155 . 0 0 "[ . 1 . 2]" 1
150 3 10 PHE HA 3 13 GLN QG 3.733 . 5.233 4.101 4.085 4.112 . 0 0 "[ . 1 . 2]" 1
151 3 10 PHE HA 3 14 VAL MG1 4.723 . 6.223 6.482 6.467 6.500 0.277 20 0 "[ . 1 . 2]" 1
152 3 10 PHE HB2 3 11 LYS H 2.428 . 3.628 3.774 3.752 3.792 0.165 19 0 "[ . 1 . 2]" 1
153 3 10 PHE HB2 3 13 GLN QB 3.622 . 4.622 4.179 4.157 4.199 . 0 0 "[ . 1 . 2]" 1
154 3 10 PHE HB3 3 10 PHE QE 3.316 . 4.816 4.405 4.397 4.415 . 0 0 "[ . 1 . 2]" 1
155 3 10 PHE HB3 3 11 LYS H 2.229 . 3.429 2.371 2.338 2.401 . 0 0 "[ . 1 . 2]" 1
156 3 10 PHE HB3 3 11 LYS QD 2.917 . 4.417 4.501 4.488 4.517 0.100 11 0 "[ . 1 . 2]" 1
157 3 10 PHE HB3 3 13 GLN QB 3.414 . 4.414 4.621 4.607 4.635 0.220 16 0 "[ . 1 . 2]" 1
158 3 10 PHE QD 3 11 LYS HA 2.693 . 4.193 2.900 2.836 2.942 . 0 0 "[ . 1 . 2]" 1
159 3 10 PHE QD 3 12 LEU H 3.937 . 5.637 5.222 5.167 5.264 . 0 0 "[ . 1 . 2]" 1
160 3 10 PHE QD 3 13 GLN H 3.768 . 5.468 4.879 4.850 4.894 . 0 0 "[ . 1 . 2]" 1
161 3 10 PHE QD 3 14 VAL MG2 3.443 . 5.193 2.931 2.877 2.979 . 0 0 "[ . 1 . 2]" 1
162 3 10 PHE QD 3 35 TYR QD 3.495 . 5.245 3.981 3.898 4.154 . 0 0 "[ . 1 . 2]" 1
163 3 10 PHE QD 3 37 ILE MG 3.259 . 5.009 4.279 4.167 4.344 . 0 0 "[ . 1 . 2]" 1
164 3 10 PHE QD 3 45 TRP HH2 3.265 . 4.765 2.727 2.629 2.805 . 0 0 "[ . 1 . 2]" 1
165 3 10 PHE QE 3 13 GLN QB 3.657 . 5.157 4.636 4.597 4.675 . 0 0 "[ . 1 . 2]" 1
166 3 10 PHE QE 3 13 GLN QG 3.964 . 5.714 5.567 5.537 5.605 . 0 0 "[ . 1 . 2]" 1
167 3 10 PHE QE 3 14 VAL MG2 3.143 . 4.893 2.469 2.424 2.513 . 0 0 "[ . 1 . 2]" 1
168 3 10 PHE QE 3 35 TYR HB2 3.958 . 5.458 4.880 4.808 4.940 . 0 0 "[ . 1 . 2]" 1
169 3 10 PHE QE 3 35 TYR HB3 3.517 . 5.017 3.552 3.450 3.630 . 0 0 "[ . 1 . 2]" 1
170 3 10 PHE QE 3 35 TYR QD 3.149 . 4.899 2.145 2.096 2.223 . 0 0 "[ . 1 . 2]" 1
171 3 10 PHE QE 3 35 TYR QE 3.888 . 5.638 3.481 3.371 3.605 . 0 0 "[ . 1 . 2]" 1
172 3 10 PHE QE 3 37 ILE MD 3.790 . 5.540 2.477 2.389 2.569 . 0 0 "[ . 1 . 2]" 1
173 3 10 PHE QE 3 45 TRP HH2 2.883 . 4.383 1.801 1.773 1.840 0.027 2 0 "[ . 1 . 2]" 1
174 3 10 PHE QE 3 45 TRP HZ3 3.300 . 4.800 3.264 3.225 3.319 . 0 0 "[ . 1 . 2]" 1
175 3 10 PHE HZ 3 35 TYR HA 3.652 . 4.652 4.670 4.576 4.734 0.083 9 0 "[ . 1 . 2]" 1
176 3 10 PHE HZ 3 35 TYR HB2 3.150 . 4.150 4.167 4.099 4.215 0.065 5 0 "[ . 1 . 2]" 1
177 3 10 PHE HZ 3 35 TYR HB3 2.803 . 3.803 2.536 2.492 2.567 . 0 0 "[ . 1 . 2]" 1
178 3 10 PHE HZ 3 35 TYR QD 2.741 . 4.241 2.956 2.704 3.151 . 0 0 "[ . 1 . 2]" 1
179 3 10 PHE HZ 3 35 TYR QE 3.804 . 5.304 4.935 4.754 5.082 . 0 0 "[ . 1 . 2]" 1
180 3 10 PHE HZ 3 37 ILE MD 3.785 . 5.285 3.085 2.960 3.172 . 0 0 "[ . 1 . 2]" 1
181 3 10 PHE HZ 3 45 TRP HH2 3.586 . 4.586 4.159 4.121 4.206 . 0 0 "[ . 1 . 2]" 1
182 3 10 PHE HZ 3 45 TRP HZ3 3.729 . 4.729 5.018 4.983 5.054 0.325 9 0 "[ . 1 . 2]" 1
183 3 11 LYS H 3 11 LYS HA 2.422 . 3.622 2.736 2.720 2.746 . 0 0 "[ . 1 . 2]" 1
184 3 11 LYS H 3 11 LYS HB2 2.156 . 3.356 2.453 2.437 2.472 . 0 0 "[ . 1 . 2]" 1
185 3 11 LYS H 3 11 LYS HB3 2.323 . 3.523 3.561 3.553 3.568 0.045 7 0 "[ . 1 . 2]" 1
186 3 11 LYS H 3 11 LYS QD 2.198 . 3.898 3.215 3.189 3.240 . 0 0 "[ . 1 . 2]" 1
187 3 11 LYS H 3 11 LYS QE 2.661 . 4.361 4.415 4.397 4.431 0.070 16 0 "[ . 1 . 2]" 1
188 3 11 LYS H 3 11 LYS QG 2.785 . 4.485 2.224 2.181 2.273 . 0 0 "[ . 1 . 2]" 1
189 3 11 LYS H 3 12 LEU MD2 4.406 . 6.106 5.346 5.249 5.390 . 0 0 "[ . 1 . 2]" 1
190 3 11 LYS HA 3 11 LYS HB2 2.350 . 3.350 3.005 3.000 3.008 . 0 0 "[ . 1 . 2]" 1
191 3 11 LYS HA 3 11 LYS QD 2.496 . 3.996 4.015 4.004 4.031 0.035 4 0 "[ . 1 . 2]" 1
192 3 11 LYS HA 3 11 LYS QE 3.244 . 4.744 4.490 4.456 4.520 . 0 0 "[ . 1 . 2]" 1
193 3 11 LYS HA 3 11 LYS QG 2.944 . 4.444 2.353 2.334 2.364 . 0 0 "[ . 1 . 2]" 1
194 3 11 LYS HA 3 12 LEU H 2.722 . 3.922 3.502 3.496 3.509 . 0 0 "[ . 1 . 2]" 1
195 3 11 LYS HA 3 14 VAL HB 2.519 . 3.519 2.975 2.950 3.005 . 0 0 "[ . 1 . 2]" 1
196 3 11 LYS HA 3 14 VAL MG1 3.084 . 4.584 4.227 4.212 4.249 . 0 0 "[ . 1 . 2]" 1
197 3 11 LYS HA 3 14 VAL MG2 3.748 . 5.248 2.611 2.538 2.671 . 0 0 "[ . 1 . 2]" 1
198 3 11 LYS HB2 3 11 LYS QD 2.311 . 3.811 2.302 2.287 2.319 . 0 0 "[ . 1 . 2]" 1
199 3 11 LYS HB2 3 11 LYS QG 2.210 . 3.710 2.475 2.463 2.486 . 0 0 "[ . 1 . 2]" 1
200 3 11 LYS HB2 3 12 LEU H 2.130 . 3.330 2.382 2.352 2.408 . 0 0 "[ . 1 . 2]" 1
201 3 11 LYS HB2 3 12 LEU MD2 2.012 . 3.512 3.758 3.660 3.806 0.294 6 0 "[ . 1 . 2]" 1
202 3 11 LYS HB2 3 45 TRP HE3 3.471 . 4.471 4.506 4.470 4.550 0.079 2 0 "[ . 1 . 2]" 1
203 3 11 LYS HB3 3 11 LYS QD 2.314 . 3.814 2.641 2.607 2.670 . 0 0 "[ . 1 . 2]" 1
204 3 11 LYS HB3 3 11 LYS QG 2.248 . 3.748 2.217 2.203 2.229 . 0 0 "[ . 1 . 2]" 1
205 3 11 LYS HB3 3 12 LEU H 2.333 . 3.533 3.313 3.297 3.334 . 0 0 "[ . 1 . 2]" 1
206 3 11 LYS HB3 3 12 LEU MD2 2.074 . 3.574 3.726 3.620 3.786 0.212 16 0 "[ . 1 . 2]" 1
207 3 11 LYS HB3 3 45 TRP HZ3 2.841 . 3.841 4.079 4.041 4.130 0.289 13 0 "[ . 1 . 2]" 1
208 3 11 LYS QD 3 12 LEU H 3.112 . 4.812 4.311 4.278 4.340 . 0 0 "[ . 1 . 2]" 1
209 3 11 LYS QD 3 45 TRP HZ2 3.474 . 4.974 4.895 4.751 4.973 . 0 0 "[ . 1 . 2]" 1
210 3 11 LYS QE 3 11 LYS QG 2.342 . 4.092 2.068 2.041 2.087 . 0 0 "[ . 1 . 2]" 1
211 3 11 LYS QE 3 45 TRP HH2 3.427 . 4.927 4.620 4.554 4.679 . 0 0 "[ . 1 . 2]" 1
212 3 12 LEU H 3 12 LEU HA 2.396 . 3.596 2.837 2.832 2.840 . 0 0 "[ . 1 . 2]" 1
213 3 12 LEU H 3 12 LEU HB2 2.184 . 3.384 2.355 2.329 2.392 . 0 0 "[ . 1 . 2]" 1
214 3 12 LEU H 3 12 LEU HB3 2.357 . 3.557 3.518 3.502 3.542 . 0 0 "[ . 1 . 2]" 1
215 3 12 LEU H 3 12 LEU MD1 3.773 . 5.473 3.542 3.502 3.595 . 0 0 "[ . 1 . 2]" 1
216 3 12 LEU H 3 12 LEU MD2 3.946 . 5.646 3.189 3.134 3.214 . 0 0 "[ . 1 . 2]" 1
217 3 12 LEU H 3 12 LEU HG 2.544 . 3.744 2.168 2.103 2.207 . 0 0 "[ . 1 . 2]" 1
218 3 12 LEU H 3 13 GLN QB 3.803 . 5.503 4.332 4.316 4.348 . 0 0 "[ . 1 . 2]" 1
219 3 12 LEU H 3 13 GLN QG 4.865 . 6.565 6.176 6.155 6.194 . 0 0 "[ . 1 . 2]" 1
220 3 12 LEU HA 3 12 LEU HB2 2.360 . 3.360 3.028 3.026 3.030 . 0 0 "[ . 1 . 2]" 1
221 3 12 LEU HA 3 12 LEU HB3 2.281 . 3.281 2.510 2.497 2.524 . 0 0 "[ . 1 . 2]" 1
222 3 12 LEU HA 3 12 LEU MD1 2.533 . 4.033 3.821 3.809 3.837 . 0 0 "[ . 1 . 2]" 1
223 3 12 LEU HA 3 12 LEU MD2 3.224 . 4.724 2.030 2.009 2.058 . 0 0 "[ . 1 . 2]" 1
224 3 12 LEU HA 3 12 LEU HG 2.891 . 3.891 3.049 3.007 3.071 . 0 0 "[ . 1 . 2]" 1
225 3 12 LEU HA 3 13 GLN H 3.027 . 4.227 3.445 3.433 3.455 . 0 0 "[ . 1 . 2]" 1
226 3 12 LEU HA 3 15 LEU HB2 2.379 . 3.379 2.042 2.018 2.062 . 0 0 "[ . 1 . 2]" 1
227 3 12 LEU HA 3 15 LEU HB3 2.314 . 3.314 3.616 3.587 3.638 0.324 20 0 "[ . 1 . 2]" 1
228 3 12 LEU HA 3 15 LEU MD1 4.445 . 5.945 2.319 2.273 2.374 . 0 0 "[ . 1 . 2]" 1
229 3 12 LEU HA 3 15 LEU MD2 3.548 . 5.048 4.464 4.452 4.477 . 0 0 "[ . 1 . 2]" 1
230 3 12 LEU HA 3 15 LEU HG 2.757 . 3.757 3.340 3.281 3.389 . 0 0 "[ . 1 . 2]" 1
231 3 12 LEU HA 3 16 GLU H 3.340 . 4.540 3.360 3.322 3.386 . 0 0 "[ . 1 . 2]" 1
232 3 12 LEU HA 3 16 GLU QB 3.516 . 4.516 4.635 4.617 4.651 0.134 6 0 "[ . 1 . 2]" 1
233 3 12 LEU HB2 3 12 LEU MD1 2.190 . 3.690 2.368 2.346 2.393 . 0 0 "[ . 1 . 2]" 1
234 3 12 LEU HB2 3 12 LEU MD2 2.066 . 3.566 3.152 3.141 3.169 . 0 0 "[ . 1 . 2]" 1
235 3 12 LEU HB2 3 13 GLN H 2.553 . 3.753 3.043 3.024 3.057 . 0 0 "[ . 1 . 2]" 1
236 3 12 LEU HB2 3 13 GLN HA 3.902 . 4.902 4.425 4.398 4.449 . 0 0 "[ . 1 . 2]" 1
237 3 12 LEU HB2 3 16 GLU QG 3.307 . 4.807 4.346 4.301 4.383 . 0 0 "[ . 1 . 2]" 1
238 3 12 LEU HB2 3 52 LEU HB3 3.532 . 4.532 4.756 4.711 4.799 0.267 11 0 "[ . 1 . 2]" 1
239 3 12 LEU HB3 3 12 LEU MD1 2.656 . 4.156 2.384 2.362 2.431 . 0 0 "[ . 1 . 2]" 1
240 3 12 LEU HB3 3 12 LEU MD2 2.639 . 4.139 2.298 2.287 2.327 . 0 0 "[ . 1 . 2]" 1
241 3 12 LEU HB3 3 12 LEU HG 2.504 . 3.504 2.992 2.984 2.996 . 0 0 "[ . 1 . 2]" 1
242 3 12 LEU HB3 3 13 GLN H 2.761 . 3.961 3.971 3.957 3.999 0.038 11 0 "[ . 1 . 2]" 1
243 3 12 LEU HB3 3 13 GLN HA 3.634 . 4.634 4.532 4.511 4.560 . 0 0 "[ . 1 . 2]" 1
244 3 12 LEU HB3 3 13 GLN QB 3.925 . 5.425 5.149 5.128 5.165 . 0 0 "[ . 1 . 2]" 1
245 3 12 LEU HB3 3 16 GLU QG 3.752 . 5.252 3.007 2.971 3.041 . 0 0 "[ . 1 . 2]" 1
246 3 12 LEU MD1 3 13 GLN H 4.176 . 5.876 4.884 4.849 4.923 . 0 0 "[ . 1 . 2]" 1
247 3 12 LEU MD1 3 13 GLN HA 4.269 . 5.769 5.944 5.928 5.965 0.196 11 0 "[ . 1 . 2]" 1
248 3 12 LEU MD1 3 16 GLU QG 4.455 . 6.205 4.539 4.495 4.593 . 0 0 "[ . 1 . 2]" 1
249 3 12 LEU MD1 3 52 LEU HB2 3.240 . 4.740 3.220 3.146 3.307 . 0 0 "[ . 1 . 2]" 1
250 3 12 LEU MD1 3 52 LEU HB3 3.463 . 4.963 2.405 2.319 2.449 . 0 0 "[ . 1 . 2]" 1
251 3 12 LEU MD1 3 52 LEU HG 3.258 . 4.758 4.981 4.940 5.026 0.268 2 0 "[ . 1 . 2]" 1
252 3 12 LEU MD1 3 53 ARG QB 3.215 . 4.965 4.049 3.930 4.136 . 0 0 "[ . 1 . 2]" 1
253 3 12 LEU MD1 3 53 ARG QD 3.410 . 5.160 4.740 4.592 4.878 . 0 0 "[ . 1 . 2]" 1
254 3 12 LEU MD1 3 53 ARG QG 2.877 . 4.627 2.930 2.782 3.074 . 0 0 "[ . 1 . 2]" 1
255 3 12 LEU MD2 3 13 GLN H 4.495 . 6.195 4.590 4.554 4.612 . 0 0 "[ . 1 . 2]" 1
256 3 12 LEU MD2 3 16 GLU QG 4.947 . 6.697 3.693 3.658 3.732 . 0 0 "[ . 1 . 2]" 1
257 3 12 LEU MD2 3 52 LEU HB3 3.911 . 5.411 2.126 2.015 2.222 . 0 0 "[ . 1 . 2]" 1
258 3 12 LEU MD2 3 52 LEU HG 3.599 . 5.099 3.569 3.535 3.605 . 0 0 "[ . 1 . 2]" 1
259 3 12 LEU MD2 3 53 ARG HA 2.901 . 4.401 3.460 3.364 3.579 . 0 0 "[ . 1 . 2]" 1
260 3 12 LEU HG 3 13 GLN H 3.593 . 4.793 4.391 4.323 4.445 . 0 0 "[ . 1 . 2]" 1
261 3 12 LEU HG 3 16 GLU QG 3.927 . 5.427 5.613 5.575 5.640 0.213 16 0 "[ . 1 . 2]" 1
262 3 12 LEU HG 3 52 LEU HB2 2.969 . 3.969 3.719 3.606 3.815 . 0 0 "[ . 1 . 2]" 1
263 3 12 LEU HG 3 52 LEU HB3 2.885 . 3.885 2.437 2.382 2.499 . 0 0 "[ . 1 . 2]" 1
264 3 13 GLN H 3 13 GLN HA 2.639 . 3.839 2.859 2.851 2.866 . 0 0 "[ . 1 . 2]" 1
265 3 13 GLN H 3 13 GLN QB 2.585 . 4.285 2.294 2.286 2.308 . 0 0 "[ . 1 . 2]" 1
266 3 13 GLN H 3 13 GLN QG 3.120 . 4.820 3.984 3.974 3.991 . 0 0 "[ . 1 . 2]" 1
267 3 13 GLN H 3 14 VAL HB 3.031 . 4.231 4.412 4.386 4.436 0.205 11 0 "[ . 1 . 2]" 1
268 3 13 GLN H 3 14 VAL MG1 4.140 . 5.840 5.537 5.502 5.566 . 0 0 "[ . 1 . 2]" 1
269 3 13 GLN HA 3 13 GLN QB 2.427 . 3.427 2.430 2.423 2.441 . 0 0 "[ . 1 . 2]" 1
270 3 13 GLN HA 3 13 GLN QE 3.990 . 5.490 4.513 4.500 4.524 . 0 0 "[ . 1 . 2]" 1
271 3 13 GLN HA 3 13 GLN QG 2.861 . 4.361 2.354 2.340 2.371 . 0 0 "[ . 1 . 2]" 1
272 3 13 GLN HA 3 14 VAL H 3.316 . 4.516 3.434 3.419 3.456 . 0 0 "[ . 1 . 2]" 1
273 3 13 GLN HA 3 14 VAL MG1 4.275 . 5.775 6.052 6.048 6.060 0.285 6 0 "[ . 1 . 2]" 1
274 3 13 GLN HA 3 15 LEU H 3.663 . 4.863 4.555 4.524 4.594 . 0 0 "[ . 1 . 2]" 1
275 3 13 GLN HA 3 16 GLU H 3.018 . 4.218 3.431 3.386 3.478 . 0 0 "[ . 1 . 2]" 1
276 3 13 GLN HA 3 16 GLU QB 2.631 . 3.631 2.453 2.431 2.475 . 0 0 "[ . 1 . 2]" 1
277 3 13 GLN HA 3 16 GLU QG 3.789 . 5.289 3.823 3.808 3.840 . 0 0 "[ . 1 . 2]" 1
278 3 13 GLN QB 3 14 VAL H 3.031 . 4.731 2.596 2.558 2.640 . 0 0 "[ . 1 . 2]" 1
279 3 13 GLN QB 3 14 VAL HA 3.921 . 5.421 4.083 4.008 4.167 . 0 0 "[ . 1 . 2]" 1
280 3 13 GLN QB 3 14 VAL MG1 3.605 . 5.355 5.200 5.140 5.265 . 0 0 "[ . 1 . 2]" 1
281 3 13 GLN QE 3 35 TYR QE 3.791 . 5.541 1.846 1.759 2.061 0.041 12 0 "[ . 1 . 2]" 1
282 3 13 GLN QG 3 14 VAL H 3.719 . 5.419 3.971 3.957 3.980 . 0 0 "[ . 1 . 2]" 1
283 3 13 GLN QG 3 14 VAL HA 3.472 . 4.972 4.263 4.241 4.290 . 0 0 "[ . 1 . 2]" 1
284 3 13 GLN QG 3 35 TYR QD 4.124 . 5.874 4.782 4.668 4.862 . 0 0 "[ . 1 . 2]" 1
285 3 14 VAL H 3 14 VAL HA 2.576 . 3.776 2.829 2.823 2.833 . 0 0 "[ . 1 . 2]" 1
286 3 14 VAL H 3 14 VAL HB 2.128 . 3.328 2.516 2.487 2.534 . 0 0 "[ . 1 . 2]" 1
287 3 14 VAL H 3 14 VAL MG1 2.821 . 4.521 3.739 3.732 3.745 . 0 0 "[ . 1 . 2]" 1
288 3 14 VAL H 3 14 VAL MG2 3.548 . 5.248 2.303 2.220 2.386 . 0 0 "[ . 1 . 2]" 1
289 3 14 VAL H 3 15 LEU MD1 4.292 . 5.992 5.039 4.971 5.131 . 0 0 "[ . 1 . 2]" 1
290 3 14 VAL H 3 45 TRP HE3 3.479 . 4.679 4.742 4.706 4.777 0.097 6 0 "[ . 1 . 2]" 1
291 3 14 VAL H 3 45 TRP HZ3 3.314 . 4.514 3.726 3.653 3.795 . 0 0 "[ . 1 . 2]" 1
292 3 14 VAL HA 3 14 VAL HB 2.654 . 3.654 3.029 3.012 3.038 . 0 0 "[ . 1 . 2]" 1
293 3 14 VAL HA 3 14 VAL MG1 2.628 . 4.128 2.433 2.421 2.443 . 0 0 "[ . 1 . 2]" 1
294 3 14 VAL HA 3 14 VAL MG2 2.677 . 4.177 2.252 2.240 2.267 . 0 0 "[ . 1 . 2]" 1
295 3 14 VAL HA 3 15 LEU H 3.136 . 4.336 3.484 3.474 3.502 . 0 0 "[ . 1 . 2]" 1
296 3 14 VAL HA 3 15 LEU MD2 3.749 . 5.249 5.455 5.409 5.495 0.245 6 0 "[ . 1 . 2]" 1
297 3 14 VAL HA 3 17 SER HB2 2.844 . 3.844 3.235 3.197 3.281 . 0 0 "[ . 1 . 2]" 1
298 3 14 VAL HA 3 17 SER HB3 3.190 . 4.190 3.634 3.523 3.719 . 0 0 "[ . 1 . 2]" 1
299 3 14 VAL HA 3 31 THR MG 3.420 . 4.920 2.944 2.876 2.991 . 0 0 "[ . 1 . 2]" 1
300 3 14 VAL HA 3 45 TRP HZ3 3.613 . 4.613 4.520 4.486 4.549 . 0 0 "[ . 1 . 2]" 1
301 3 14 VAL HB 3 14 VAL MG1 2.427 . 3.927 2.108 2.096 2.120 . 0 0 "[ . 1 . 2]" 1
302 3 14 VAL HB 3 14 VAL MG2 2.411 . 3.911 2.080 2.073 2.085 . 0 0 "[ . 1 . 2]" 1
303 3 14 VAL HB 3 15 LEU H 2.320 . 3.520 2.221 2.164 2.280 . 0 0 "[ . 1 . 2]" 1
304 3 14 VAL HB 3 15 LEU MD2 2.899 . 4.399 3.817 3.731 3.895 . 0 0 "[ . 1 . 2]" 1
305 3 14 VAL HB 3 31 THR MG 3.083 . 4.583 4.492 4.447 4.596 0.013 14 0 "[ . 1 . 2]" 1
306 3 14 VAL HB 3 37 ILE MD 4.041 . 5.541 3.799 3.734 3.842 . 0 0 "[ . 1 . 2]" 1
307 3 14 VAL HB 3 42 ILE HA 3.468 . 4.468 4.590 4.505 4.687 0.219 14 0 "[ . 1 . 2]" 1
308 3 14 VAL HB 3 45 TRP HH2 3.288 . 4.288 4.330 4.297 4.381 0.093 11 0 "[ . 1 . 2]" 1
309 3 14 VAL MG1 3 14 VAL MG2 2.542 . 4.292 2.028 2.002 2.047 . 0 0 "[ . 1 . 2]" 1
310 3 14 VAL MG1 3 15 LEU H 3.787 . 5.487 3.181 3.163 3.204 . 0 0 "[ . 1 . 2]" 1
311 3 14 VAL MG1 3 15 LEU MD2 4.103 . 5.853 3.297 3.248 3.342 . 0 0 "[ . 1 . 2]" 1
312 3 14 VAL MG1 3 18 TYR HB2 4.740 . 6.240 2.891 2.856 2.911 . 0 0 "[ . 1 . 2]" 1
313 3 14 VAL MG1 3 31 THR MG 3.791 . 5.541 2.312 2.237 2.434 . 0 0 "[ . 1 . 2]" 1
314 3 14 VAL MG1 3 35 TYR HA 4.637 . 6.137 5.878 5.767 5.941 . 0 0 "[ . 1 . 2]" 1
315 3 14 VAL MG1 3 35 TYR HB2 3.286 . 4.786 3.476 3.395 3.516 . 0 0 "[ . 1 . 2]" 1
316 3 14 VAL MG1 3 35 TYR HB3 3.117 . 4.617 4.012 3.921 4.081 . 0 0 "[ . 1 . 2]" 1
317 3 14 VAL MG1 3 37 ILE MD 3.067 . 4.817 2.066 2.006 2.126 . 0 0 "[ . 1 . 2]" 1
318 3 14 VAL MG1 3 37 ILE MG 3.960 . 5.710 4.338 4.263 4.406 . 0 0 "[ . 1 . 2]" 1
319 3 14 VAL MG2 3 15 LEU H 3.599 . 5.299 3.591 3.529 3.643 . 0 0 "[ . 1 . 2]" 1
320 3 14 VAL MG2 3 15 LEU HA 3.379 . 4.879 5.230 5.188 5.254 0.375 16 0 "[ . 1 . 2]" 1
321 3 14 VAL MG2 3 15 LEU MD2 3.339 . 5.089 4.843 4.784 4.899 . 0 0 "[ . 1 . 2]" 1
322 3 14 VAL MG2 3 15 LEU HG 2.819 . 4.319 4.440 4.406 4.465 0.147 16 0 "[ . 1 . 2]" 1
323 3 14 VAL MG2 3 18 TYR HB2 3.782 . 5.282 5.428 5.413 5.445 0.162 19 0 "[ . 1 . 2]" 1
324 3 14 VAL MG2 3 31 THR HA 4.616 . 6.116 6.101 6.034 6.193 0.077 20 0 "[ . 1 . 2]" 1
325 3 14 VAL MG2 3 31 THR HB 4.250 . 5.750 5.089 4.999 5.190 . 0 0 "[ . 1 . 2]" 1
326 3 14 VAL MG2 3 31 THR MG 2.596 . 4.346 3.764 3.716 3.818 . 0 0 "[ . 1 . 2]" 1
327 3 14 VAL MG2 3 32 ALA HA 4.351 . 5.851 4.725 4.567 4.855 . 0 0 "[ . 1 . 2]" 1
328 3 14 VAL MG2 3 35 TYR HB2 3.511 . 5.011 3.581 3.493 3.646 . 0 0 "[ . 1 . 2]" 1
329 3 14 VAL MG2 3 35 TYR HB3 3.429 . 4.929 3.196 3.106 3.263 . 0 0 "[ . 1 . 2]" 1
330 3 14 VAL MG2 3 37 ILE MG 4.057 . 5.807 3.313 3.244 3.394 . 0 0 "[ . 1 . 2]" 1
331 3 14 VAL MG2 3 42 ILE QG 3.434 . 5.184 3.712 3.643 3.804 . 0 0 "[ . 1 . 2]" 1
332 3 14 VAL MG2 3 45 TRP HZ2 3.243 . 4.743 4.783 4.752 4.820 0.077 3 0 "[ . 1 . 2]" 1
333 3 15 LEU H 3 15 LEU HA 2.597 . 3.797 2.766 2.756 2.777 . 0 0 "[ . 1 . 2]" 1
334 3 15 LEU H 3 15 LEU HB2 2.143 . 3.343 2.334 2.320 2.354 . 0 0 "[ . 1 . 2]" 1
335 3 15 LEU H 3 15 LEU HB3 2.386 . 3.586 3.497 3.491 3.508 . 0 0 "[ . 1 . 2]" 1
336 3 15 LEU H 3 15 LEU MD1 3.520 . 5.220 3.480 3.441 3.537 . 0 0 "[ . 1 . 2]" 1
337 3 15 LEU H 3 15 LEU MD2 3.833 . 5.533 3.350 3.297 3.382 . 0 0 "[ . 1 . 2]" 1
338 3 15 LEU H 3 15 LEU HG 2.200 . 3.400 2.210 2.190 2.241 . 0 0 "[ . 1 . 2]" 1
339 3 15 LEU H 3 16 GLU QB 3.916 . 5.616 4.591 4.548 4.616 . 0 0 "[ . 1 . 2]" 1
340 3 15 LEU H 3 16 GLU QG 4.541 . 6.241 4.830 4.784 4.872 . 0 0 "[ . 1 . 2]" 1
341 3 15 LEU H 3 45 TRP HE3 3.402 . 4.602 3.705 3.653 3.742 . 0 0 "[ . 1 . 2]" 1
342 3 15 LEU HA 3 15 LEU HB2 2.419 . 3.419 2.995 2.987 3.010 . 0 0 "[ . 1 . 2]" 1
343 3 15 LEU HA 3 15 LEU HB3 2.421 . 3.421 2.537 2.523 2.559 . 0 0 "[ . 1 . 2]" 1
344 3 15 LEU HA 3 15 LEU MD1 2.492 . 3.992 3.835 3.811 3.867 . 0 0 "[ . 1 . 2]" 1
345 3 15 LEU HA 3 15 LEU HG 2.732 . 3.732 3.017 2.974 3.059 . 0 0 "[ . 1 . 2]" 1
346 3 15 LEU HA 3 16 GLU H 3.039 . 4.239 3.553 3.535 3.569 . 0 0 "[ . 1 . 2]" 1
347 3 15 LEU HA 3 18 TYR H 2.714 . 3.914 3.632 3.583 3.672 . 0 0 "[ . 1 . 2]" 1
348 3 15 LEU HA 3 18 TYR HB2 2.434 . 3.434 3.100 3.059 3.136 . 0 0 "[ . 1 . 2]" 1
349 3 15 LEU HA 3 18 TYR HB3 2.269 . 3.269 2.143 2.089 2.197 . 0 0 "[ . 1 . 2]" 1
350 3 15 LEU HA 3 19 ARG H 3.099 . 4.299 4.080 4.044 4.124 . 0 0 "[ . 1 . 2]" 1
351 3 15 LEU HB2 3 15 LEU MD1 2.565 . 4.065 2.322 2.290 2.355 . 0 0 "[ . 1 . 2]" 1
352 3 15 LEU HB2 3 15 LEU MD2 2.493 . 3.993 3.198 3.187 3.205 . 0 0 "[ . 1 . 2]" 1
353 3 15 LEU HB2 3 15 LEU HG 2.243 . 3.243 2.463 2.447 2.479 . 0 0 "[ . 1 . 2]" 1
354 3 15 LEU HB2 3 16 GLU H 2.370 . 3.570 2.490 2.474 2.507 . 0 0 "[ . 1 . 2]" 1
355 3 15 LEU HB2 3 18 TYR QD 3.105 . 4.605 4.863 4.827 4.921 0.316 20 0 "[ . 1 . 2]" 1
356 3 15 LEU HB3 3 15 LEU MD1 2.521 . 4.021 2.356 2.335 2.381 . 0 0 "[ . 1 . 2]" 1
357 3 15 LEU HB3 3 15 LEU MD2 2.509 . 4.009 2.371 2.356 2.396 . 0 0 "[ . 1 . 2]" 1
358 3 15 LEU HB3 3 15 LEU HG 2.445 . 3.445 3.021 3.015 3.025 . 0 0 "[ . 1 . 2]" 1
359 3 15 LEU HB3 3 16 GLU H 2.743 . 3.943 3.474 3.450 3.485 . 0 0 "[ . 1 . 2]" 1
360 3 15 LEU HB3 3 16 GLU QB 3.734 . 5.234 5.260 5.238 5.274 0.040 16 0 "[ . 1 . 2]" 1
361 3 15 LEU HB3 3 18 TYR QD 3.243 . 4.743 3.693 3.639 3.755 . 0 0 "[ . 1 . 2]" 1
362 3 15 LEU MD1 3 15 LEU HG 2.445 . 3.945 2.112 2.097 2.124 . 0 0 "[ . 1 . 2]" 1
363 3 15 LEU MD1 3 16 GLU H 4.670 . 6.370 4.406 4.371 4.434 . 0 0 "[ . 1 . 2]" 1
364 3 15 LEU MD1 3 18 TYR HB3 3.962 . 5.462 5.539 5.517 5.574 0.112 11 0 "[ . 1 . 2]" 1
365 3 15 LEU MD1 3 42 ILE H 4.909 . 6.609 6.853 6.776 6.930 0.320 4 0 "[ . 1 . 2]" 1
366 3 15 LEU MD1 3 42 ILE MG 3.336 . 5.086 4.252 4.164 4.328 . 0 0 "[ . 1 . 2]" 1
367 3 15 LEU MD1 3 45 TRP HA 4.353 . 5.853 4.127 4.059 4.171 . 0 0 "[ . 1 . 2]" 1
368 3 15 LEU MD1 3 45 TRP HB2 2.803 . 4.303 2.528 2.452 2.603 . 0 0 "[ . 1 . 2]" 1
369 3 15 LEU MD1 3 45 TRP HB3 2.740 . 4.240 2.197 2.121 2.252 . 0 0 "[ . 1 . 2]" 1
370 3 15 LEU MD1 3 45 TRP HZ3 4.773 . 6.273 4.954 4.877 5.049 . 0 0 "[ . 1 . 2]" 1
371 3 15 LEU MD1 3 46 LEU H 3.725 . 5.425 4.033 3.909 4.171 . 0 0 "[ . 1 . 2]" 1
372 3 15 LEU MD1 3 46 LEU HA 2.345 . 3.845 3.401 3.330 3.509 . 0 0 "[ . 1 . 2]" 1
373 3 15 LEU MD1 3 46 LEU HG 3.103 . 4.603 3.912 3.754 4.104 . 0 0 "[ . 1 . 2]" 1
374 3 15 LEU MD1 3 49 GLU HB2 4.367 . 5.867 1.864 1.780 1.970 0.020 20 0 "[ . 1 . 2]" 1
375 3 15 LEU MD1 3 49 GLU QG 4.738 . 6.488 2.456 2.172 2.648 . 0 0 "[ . 1 . 2]" 1
376 3 15 LEU MD2 3 18 TYR HB2 2.531 . 4.031 4.048 3.995 4.112 0.081 11 0 "[ . 1 . 2]" 1
377 3 15 LEU MD2 3 18 TYR HB3 2.320 . 3.820 3.634 3.600 3.701 . 0 0 "[ . 1 . 2]" 1
378 3 15 LEU MD2 3 42 ILE HA 2.765 . 4.265 2.835 2.783 2.896 . 0 0 "[ . 1 . 2]" 1
379 3 15 LEU MD2 3 45 TRP HA 4.456 . 5.956 4.712 4.645 4.776 . 0 0 "[ . 1 . 2]" 1
380 3 15 LEU MD2 3 45 TRP HB2 3.006 . 4.506 2.237 2.182 2.301 . 0 0 "[ . 1 . 2]" 1
381 3 15 LEU MD2 3 45 TRP HB3 2.771 . 4.271 3.276 3.152 3.363 . 0 0 "[ . 1 . 2]" 1
382 3 15 LEU MD2 3 45 TRP HD1 3.571 . 5.321 5.593 5.546 5.642 0.322 14 0 "[ . 1 . 2]" 1
383 3 15 LEU MD2 3 46 LEU H 4.304 . 6.004 3.205 3.069 3.386 . 0 0 "[ . 1 . 2]" 1
384 3 15 LEU MD2 3 46 LEU HA 3.453 . 4.953 3.182 3.102 3.258 . 0 0 "[ . 1 . 2]" 1
385 3 15 LEU MD2 3 46 LEU HG 3.736 . 5.236 2.270 2.137 2.464 . 0 0 "[ . 1 . 2]" 1
386 3 15 LEU MD2 3 49 GLU HA 3.131 . 4.631 4.700 4.661 4.736 0.104 6 0 "[ . 1 . 2]" 1
387 3 15 LEU MD2 3 49 GLU HB2 2.843 . 4.343 3.193 3.118 3.250 . 0 0 "[ . 1 . 2]" 1
388 3 15 LEU MD2 3 49 GLU HB3 2.429 . 3.929 4.212 4.138 4.257 0.329 14 0 "[ . 1 . 2]" 1
389 3 15 LEU HG 3 16 GLU H 3.277 . 4.477 4.356 4.341 4.375 . 0 0 "[ . 1 . 2]" 1
390 3 15 LEU HG 3 45 TRP HB2 3.045 . 4.045 3.533 3.472 3.602 . 0 0 "[ . 1 . 2]" 1
391 3 15 LEU HG 3 45 TRP HB3 2.948 . 3.948 3.887 3.780 3.979 0.031 6 0 "[ . 1 . 2]" 1
392 3 15 LEU HG 3 45 TRP HE3 2.963 . 3.963 2.335 2.301 2.371 . 0 0 "[ . 1 . 2]" 1
393 3 16 GLU H 3 16 GLU HA 2.780 . 3.980 2.812 2.808 2.818 . 0 0 "[ . 1 . 2]" 1
394 3 16 GLU H 3 16 GLU QB 2.513 . 4.213 2.269 2.256 2.277 . 0 0 "[ . 1 . 2]" 1
395 3 16 GLU H 3 16 GLU QG 3.235 . 4.935 2.620 2.591 2.642 . 0 0 "[ . 1 . 2]" 1
396 3 16 GLU HA 3 16 GLU QB 2.471 . 3.471 2.459 2.452 2.464 . 0 0 "[ . 1 . 2]" 1
397 3 16 GLU HA 3 16 GLU QG 2.975 . 4.475 2.317 2.296 2.350 . 0 0 "[ . 1 . 2]" 1
398 3 16 GLU HA 3 17 SER H 3.112 . 4.312 3.579 3.571 3.586 . 0 0 "[ . 1 . 2]" 1
399 3 16 GLU HA 3 19 ARG H 3.171 . 4.371 3.394 3.376 3.424 . 0 0 "[ . 1 . 2]" 1
400 3 16 GLU HA 3 19 ARG QB 2.730 . 3.730 2.669 2.633 2.716 . 0 0 "[ . 1 . 2]" 1
401 3 16 GLU HA 3 20 ASN QB 3.639 . 4.639 4.553 4.527 4.581 . 0 0 "[ . 1 . 2]" 1
402 3 16 GLU HA 3 20 ASN QD 3.173 . 4.673 3.254 3.229 3.280 . 0 0 "[ . 1 . 2]" 1
403 3 16 GLU QB 3 16 GLU QG 2.220 . 3.970 2.091 2.087 2.097 . 0 0 "[ . 1 . 2]" 1
404 3 16 GLU QB 3 17 SER H 2.994 . 4.694 2.507 2.484 2.535 . 0 0 "[ . 1 . 2]" 1
405 3 16 GLU QB 3 17 SER HB2 4.346 . 5.846 4.079 4.049 4.107 . 0 0 "[ . 1 . 2]" 1
406 3 16 GLU QB 3 19 ARG H 3.888 . 5.588 4.708 4.681 4.736 . 0 0 "[ . 1 . 2]" 1
407 3 16 GLU QB 3 19 ARG QB 4.165 . 5.665 4.453 4.433 4.483 . 0 0 "[ . 1 . 2]" 1
408 3 16 GLU QB 3 19 ARG QG 3.944 . 5.694 5.237 5.212 5.254 . 0 0 "[ . 1 . 2]" 1
409 3 16 GLU QB 3 20 ASN QB 3.770 . 5.270 4.209 4.186 4.231 . 0 0 "[ . 1 . 2]" 1
410 3 16 GLU QB 3 20 ASN QD 3.648 . 5.398 3.854 3.835 3.878 . 0 0 "[ . 1 . 2]" 1
411 3 16 GLU QG 3 17 SER H 4.063 . 5.763 4.263 4.244 4.281 . 0 0 "[ . 1 . 2]" 1
412 3 16 GLU QG 3 19 ARG H 4.702 . 6.402 5.297 5.267 5.337 . 0 0 "[ . 1 . 2]" 1
413 3 16 GLU QG 3 19 ARG QB 4.447 . 5.947 4.300 4.266 4.341 . 0 0 "[ . 1 . 2]" 1
414 3 16 GLU QG 3 19 ARG QG 4.395 . 6.145 4.750 4.718 4.779 . 0 0 "[ . 1 . 2]" 1
415 3 16 GLU QG 3 20 ASN QB 3.855 . 5.355 5.325 5.303 5.354 . 0 0 "[ . 1 . 2]" 1
416 3 16 GLU QG 3 20 ASN QD 4.018 . 5.768 4.061 4.040 4.097 . 0 0 "[ . 1 . 2]" 1
417 3 17 SER H 3 17 SER HB3 2.619 . 3.819 3.172 3.125 3.229 . 0 0 "[ . 1 . 2]" 1
418 3 17 SER HA 3 17 SER HB3 2.287 . 3.287 2.904 2.889 2.922 . 0 0 "[ . 1 . 2]" 1
419 3 17 SER HA 3 20 ASN QB 3.134 . 4.134 3.631 3.614 3.647 . 0 0 "[ . 1 . 2]" 1
420 3 17 SER HA 3 21 ASP H 2.343 . 3.543 2.772 2.745 2.792 . 0 0 "[ . 1 . 2]" 1
421 3 17 SER HA 3 21 ASP HB2 2.634 . 3.634 2.501 2.460 2.543 . 0 0 "[ . 1 . 2]" 1
422 3 17 SER HA 3 21 ASP HB3 2.395 . 3.395 3.615 3.576 3.644 0.249 8 0 "[ . 1 . 2]" 1
423 3 17 SER HA 3 35 TYR QE 3.943 . 5.443 4.542 4.455 4.641 . 0 0 "[ . 1 . 2]" 1
424 3 17 SER HB2 3 31 THR MG 3.577 . 5.077 3.532 3.415 3.681 . 0 0 "[ . 1 . 2]" 1
425 3 17 SER HB2 3 35 TYR QE 3.005 . 4.505 2.466 2.263 2.648 . 0 0 "[ . 1 . 2]" 1
426 3 17 SER HB3 3 19 ARG H 3.477 . 4.677 4.849 4.795 4.875 0.198 18 0 "[ . 1 . 2]" 1
427 3 17 SER HB3 3 21 ASP H 3.540 . 4.740 4.568 4.522 4.607 . 0 0 "[ . 1 . 2]" 1
428 3 17 SER HB3 3 21 ASP HB2 3.313 . 4.313 3.491 3.419 3.526 . 0 0 "[ . 1 . 2]" 1
429 3 17 SER HB3 3 21 ASP HB3 2.969 . 3.969 3.833 3.787 3.887 . 0 0 "[ . 1 . 2]" 1
430 3 17 SER HB3 3 31 THR MG 3.334 . 4.834 2.345 2.251 2.461 . 0 0 "[ . 1 . 2]" 1
431 3 18 TYR H 3 18 TYR HB2 1.963 . 3.163 2.547 2.515 2.576 . 0 0 "[ . 1 . 2]" 1
432 3 18 TYR H 3 18 TYR HB3 1.919 . 3.119 2.295 2.282 2.324 . 0 0 "[ . 1 . 2]" 1
433 3 18 TYR H 3 18 TYR QD 3.464 . 5.164 4.114 4.104 4.131 . 0 0 "[ . 1 . 2]" 1
434 3 18 TYR H 3 31 THR MG 3.738 . 5.438 2.537 2.424 2.652 . 0 0 "[ . 1 . 2]" 1
435 3 18 TYR HA 3 18 TYR HB2 2.075 . 3.075 2.419 2.405 2.439 . 0 0 "[ . 1 . 2]" 1
436 3 18 TYR HA 3 18 TYR HB3 2.204 . 3.204 3.026 3.022 3.031 . 0 0 "[ . 1 . 2]" 1
437 3 18 TYR HA 3 18 TYR QD 2.864 . 4.364 2.196 2.179 2.210 . 0 0 "[ . 1 . 2]" 1
438 3 18 TYR HA 3 18 TYR QE 3.959 . 5.459 4.505 4.489 4.519 . 0 0 "[ . 1 . 2]" 1
439 3 18 TYR HB2 3 19 ARG H 2.363 . 3.563 3.868 3.859 3.873 0.310 18 0 "[ . 1 . 2]" 1
440 3 18 TYR HB2 3 19 ARG QG 2.725 . 4.225 4.424 4.396 4.445 0.221 16 0 "[ . 1 . 2]" 1
441 3 18 TYR HB2 3 31 THR MG 2.634 . 4.134 1.959 1.897 2.027 . 0 0 "[ . 1 . 2]" 1
442 3 18 TYR HB2 3 42 ILE MD 3.361 . 4.861 3.445 3.324 3.617 . 0 0 "[ . 1 . 2]" 1
443 3 18 TYR HB2 3 42 ILE MG 3.381 . 4.881 3.030 2.954 3.143 . 0 0 "[ . 1 . 2]" 1
444 3 18 TYR HB3 3 19 ARG H 2.296 . 3.496 2.534 2.522 2.545 . 0 0 "[ . 1 . 2]" 1
445 3 18 TYR HB3 3 19 ARG QG 3.293 . 4.793 2.931 2.889 2.965 . 0 0 "[ . 1 . 2]" 1
446 3 18 TYR HB3 3 31 THR MG 2.867 . 4.367 3.255 3.212 3.340 . 0 0 "[ . 1 . 2]" 1
447 3 18 TYR HB3 3 42 ILE MD 3.572 . 5.072 4.773 4.637 4.920 . 0 0 "[ . 1 . 2]" 1
448 3 18 TYR HB3 3 42 ILE MG 3.844 . 5.344 3.660 3.599 3.770 . 0 0 "[ . 1 . 2]" 1
449 3 18 TYR HB3 3 46 LEU MD1 4.765 . 6.265 5.508 5.300 5.763 . 0 0 "[ . 1 . 2]" 1
450 3 18 TYR QD 3 19 ARG H 3.523 . 5.223 3.891 3.873 3.912 . 0 0 "[ . 1 . 2]" 1
451 3 18 TYR QD 3 19 ARG HA 3.556 . 5.056 4.270 4.241 4.296 . 0 0 "[ . 1 . 2]" 1
452 3 18 TYR QD 3 19 ARG QD 3.334 . 5.084 3.744 3.696 3.782 . 0 0 "[ . 1 . 2]" 1
453 3 18 TYR QD 3 24 CYS HA 4.060 . 5.560 5.235 5.175 5.279 . 0 0 "[ . 1 . 2]" 1
454 3 18 TYR QD 3 25 LYS HA 3.209 . 4.709 3.591 3.561 3.614 . 0 0 "[ . 1 . 2]" 1
455 3 18 TYR QD 3 26 GLY H 3.820 . 5.520 3.171 3.119 3.236 . 0 0 "[ . 1 . 2]" 1
456 3 18 TYR QD 3 27 ASN H 3.376 . 5.076 3.000 2.926 3.060 . 0 0 "[ . 1 . 2]" 1
457 3 18 TYR QD 3 28 GLN QE 4.110 . 5.860 4.863 3.693 5.271 . 0 0 "[ . 1 . 2]" 1
458 3 18 TYR QD 3 31 THR H 3.758 . 5.458 4.614 4.542 4.672 . 0 0 "[ . 1 . 2]" 1
459 3 18 TYR QD 3 42 ILE HA 3.643 . 5.143 5.348 5.301 5.416 0.274 16 0 "[ . 1 . 2]" 1
460 3 18 TYR QE 3 24 CYS QB 3.248 . 4.998 5.092 5.040 5.128 0.130 3 0 "[ . 1 . 2]" 1
461 3 18 TYR QE 3 26 GLY H 3.869 . 5.569 3.230 3.180 3.278 . 0 0 "[ . 1 . 2]" 1
462 3 18 TYR QE 3 27 ASN H 3.523 . 5.223 2.812 2.725 2.888 . 0 0 "[ . 1 . 2]" 1
463 3 18 TYR QE 3 27 ASN HB3 3.166 . 4.666 4.895 4.809 4.970 0.304 6 0 "[ . 1 . 2]" 1
464 3 18 TYR QE 3 28 GLN H 3.443 . 5.143 3.699 3.615 3.782 . 0 0 "[ . 1 . 2]" 1
465 3 18 TYR QE 3 28 GLN QE 4.159 . 5.909 3.343 2.798 3.633 . 0 0 "[ . 1 . 2]" 1
466 3 18 TYR QE 3 31 THR MG 4.264 . 6.014 5.343 5.287 5.409 . 0 0 "[ . 1 . 2]" 1
467 3 18 TYR QE 3 42 ILE MD 5.059 . 6.809 4.880 4.812 4.929 . 0 0 "[ . 1 . 2]" 1
468 3 18 TYR QE 3 46 LEU MD1 3.527 . 5.277 1.945 1.869 2.084 . 0 0 "[ . 1 . 2]" 1
469 3 18 TYR QE 3 46 LEU MD2 3.564 . 5.314 2.301 2.106 2.485 . 0 0 "[ . 1 . 2]" 1
470 3 19 ARG H 3 19 ARG HA 2.731 . 3.931 2.889 2.879 2.896 . 0 0 "[ . 1 . 2]" 1
471 3 19 ARG H 3 19 ARG QB 2.623 . 4.323 2.322 2.290 2.364 . 0 0 "[ . 1 . 2]" 1
472 3 19 ARG H 3 19 ARG QD 3.428 . 5.128 3.884 3.855 3.913 . 0 0 "[ . 1 . 2]" 1
473 3 19 ARG H 3 19 ARG QG 2.946 . 4.646 2.429 2.401 2.466 . 0 0 "[ . 1 . 2]" 1
474 3 19 ARG HA 3 19 ARG QB 2.423 . 3.423 2.369 2.351 2.384 . 0 0 "[ . 1 . 2]" 1
475 3 19 ARG HA 3 19 ARG QD 3.189 . 4.689 2.290 2.253 2.326 . 0 0 "[ . 1 . 2]" 1
476 3 19 ARG HA 3 20 ASN H 2.911 . 4.111 3.429 3.406 3.447 . 0 0 "[ . 1 . 2]" 1
477 3 19 ARG QB 3 19 ARG QD 2.858 . 4.608 2.143 2.096 2.190 . 0 0 "[ . 1 . 2]" 1
478 3 19 ARG QB 3 19 ARG HE 3.357 . 4.857 3.593 3.517 3.646 . 0 0 "[ . 1 . 2]" 1
479 3 19 ARG QB 3 20 ASN H 3.063 . 4.763 3.273 3.227 3.315 . 0 0 "[ . 1 . 2]" 1
480 3 19 ARG QB 3 20 ASN HA 3.946 . 5.446 4.266 4.247 4.280 . 0 0 "[ . 1 . 2]" 1
481 3 19 ARG QB 3 20 ASN QB 3.547 . 5.047 3.918 3.906 3.939 . 0 0 "[ . 1 . 2]" 1
482 3 19 ARG QB 3 20 ASN QD 3.165 . 4.915 2.418 2.389 2.432 . 0 0 "[ . 1 . 2]" 1
483 3 19 ARG HE 3 19 ARG QG 3.200 . 4.700 2.079 2.031 2.153 . 0 0 "[ . 1 . 2]" 1
484 3 19 ARG QG 3 20 ASN H 3.604 . 5.304 4.461 4.431 4.483 . 0 0 "[ . 1 . 2]" 1
485 3 20 ASN H 3 20 ASN QB 2.671 . 4.371 2.674 2.642 2.691 . 0 0 "[ . 1 . 2]" 1
486 3 20 ASN H 3 21 ASP HB2 2.960 . 4.160 4.148 4.110 4.185 0.025 6 0 "[ . 1 . 2]" 1
487 3 20 ASN H 3 21 ASP HB3 2.730 . 3.930 4.099 4.064 4.142 0.212 4 0 "[ . 1 . 2]" 1
488 3 20 ASN H 3 25 LYS HA 3.055 . 4.255 3.604 3.542 3.653 . 0 0 "[ . 1 . 2]" 1
489 3 20 ASN H 3 25 LYS HB2 3.399 . 4.599 3.071 2.993 3.122 . 0 0 "[ . 1 . 2]" 1
490 3 20 ASN H 3 25 LYS HB3 3.287 . 4.487 4.706 4.665 4.758 0.271 4 0 "[ . 1 . 2]" 1
491 3 20 ASN H 3 25 LYS QG 3.949 . 5.649 4.502 4.297 4.643 . 0 0 "[ . 1 . 2]" 1
492 3 20 ASN HA 3 20 ASN QB 2.527 . 4.027 2.434 2.431 2.439 . 0 0 "[ . 1 . 2]" 1
493 3 20 ASN HA 3 25 LYS HB2 3.402 . 4.402 2.804 2.743 2.841 . 0 0 "[ . 1 . 2]" 1
494 3 20 ASN HA 3 25 LYS HB3 3.371 . 4.371 4.193 4.126 4.232 . 0 0 "[ . 1 . 2]" 1
495 3 20 ASN HA 3 25 LYS QD 3.302 . 4.802 2.064 1.933 2.235 . 0 0 "[ . 1 . 2]" 1
496 3 20 ASN HA 3 25 LYS QE 4.342 . 5.842 3.778 3.491 4.093 . 0 0 "[ . 1 . 2]" 1
497 3 20 ASN HA 3 25 LYS QG 3.695 . 5.195 3.600 3.429 3.770 . 0 0 "[ . 1 . 2]" 1
498 3 20 ASN QB 3 20 ASN QD 2.757 . 4.507 2.160 2.149 2.176 . 0 0 "[ . 1 . 2]" 1
499 3 20 ASN QB 3 21 ASP H 3.227 . 4.927 3.055 3.034 3.069 . 0 0 "[ . 1 . 2]" 1
500 3 20 ASN QB 3 21 ASP HA 3.744 . 5.244 3.952 3.933 3.976 . 0 0 "[ . 1 . 2]" 1
501 3 21 ASP H 3 21 ASP HB2 2.145 . 3.345 2.526 2.499 2.553 . 0 0 "[ . 1 . 2]" 1
502 3 21 ASP H 3 21 ASP HB3 2.055 . 3.255 2.532 2.511 2.565 . 0 0 "[ . 1 . 2]" 1
503 3 21 ASP H 3 25 LYS HB2 3.049 . 4.249 2.919 2.846 2.989 . 0 0 "[ . 1 . 2]" 1
504 3 21 ASP H 3 25 LYS HB3 2.833 . 4.033 4.092 4.057 4.133 0.100 12 0 "[ . 1 . 2]" 1
505 3 21 ASP H 3 25 LYS QG 3.739 . 5.439 4.897 4.781 4.995 . 0 0 "[ . 1 . 2]" 1
506 3 21 ASP HA 3 21 ASP HB2 2.230 . 3.230 2.469 2.455 2.484 . 0 0 "[ . 1 . 2]" 1
507 3 21 ASP HA 3 21 ASP HB3 2.276 . 3.276 3.021 3.018 3.026 . 0 0 "[ . 1 . 2]" 1
508 3 21 ASP HA 3 22 ASN QB 3.945 . 5.445 4.128 4.112 4.147 . 0 0 "[ . 1 . 2]" 1
509 3 21 ASP HB2 3 23 ASP H 2.770 . 3.970 4.192 4.168 4.222 0.251 1 0 "[ . 1 . 2]" 1
510 3 21 ASP HB2 3 24 CYS H 2.562 . 3.762 4.060 4.043 4.073 0.311 13 0 "[ . 1 . 2]" 1
511 3 21 ASP HB2 3 25 LYS H 3.027 . 4.227 4.297 4.270 4.320 0.093 6 0 "[ . 1 . 2]" 1
512 3 21 ASP HB3 3 23 ASP H 2.652 . 3.852 3.420 3.360 3.483 . 0 0 "[ . 1 . 2]" 1
513 3 21 ASP HB3 3 24 CYS H 2.567 . 3.767 2.448 2.426 2.472 . 0 0 "[ . 1 . 2]" 1
514 3 21 ASP HB3 3 25 LYS H 2.793 . 3.993 2.680 2.647 2.708 . 0 0 "[ . 1 . 2]" 1
515 3 22 ASN H 3 22 ASN HA 2.706 . 3.906 2.777 2.769 2.784 . 0 0 "[ . 1 . 2]" 1
516 3 22 ASN H 3 22 ASN QB 2.867 . 4.567 2.266 2.251 2.284 . 0 0 "[ . 1 . 2]" 1
517 3 22 ASN HA 3 22 ASN QB 2.543 . 3.543 2.372 2.367 2.376 . 0 0 "[ . 1 . 2]" 1
518 3 22 ASN HA 3 25 LYS H 3.461 . 4.661 4.178 4.125 4.222 . 0 0 "[ . 1 . 2]" 1
519 3 22 ASN HA 3 25 LYS HB2 3.163 . 4.163 4.243 4.208 4.267 0.104 10 0 "[ . 1 . 2]" 1
520 3 22 ASN HA 3 25 LYS HB3 3.094 . 4.094 3.006 2.951 3.046 . 0 0 "[ . 1 . 2]" 1
521 3 22 ASN HA 3 25 LYS QE 4.032 . 5.532 2.184 2.063 2.339 . 0 0 "[ . 1 . 2]" 1
522 3 22 ASN QB 3 23 ASP H 3.459 . 5.159 3.110 3.060 3.155 . 0 0 "[ . 1 . 2]" 1
523 3 22 ASN QB 3 23 ASP HA 4.640 . 6.140 4.281 4.241 4.319 . 0 0 "[ . 1 . 2]" 1
524 3 22 ASN QB 3 25 LYS H 4.953 . 6.653 5.589 5.546 5.639 . 0 0 "[ . 1 . 2]" 1
525 3 23 ASP H 3 23 ASP QB 2.652 . 4.352 2.499 2.485 2.522 . 0 0 "[ . 1 . 2]" 1
526 3 23 ASP HA 3 23 ASP QB 2.273 . 3.773 2.334 2.328 2.340 . 0 0 "[ . 1 . 2]" 1
527 3 23 ASP QB 3 24 CYS H 3.335 . 5.035 3.059 3.032 3.102 . 0 0 "[ . 1 . 2]" 1
528 3 24 CYS H 3 24 CYS QB 2.661 . 4.361 3.076 2.882 3.200 . 0 0 "[ . 1 . 2]" 1
529 3 24 CYS H 3 25 LYS HA 3.012 . 4.212 4.369 4.351 4.388 0.177 4 0 "[ . 1 . 2]" 1
530 3 24 CYS H 3 25 LYS HB2 3.155 . 4.355 4.347 4.284 4.404 0.049 16 0 "[ . 1 . 2]" 1
531 3 24 CYS H 3 25 LYS HB3 3.142 . 4.342 3.657 3.633 3.688 . 0 0 "[ . 1 . 2]" 1
532 3 24 CYS H 3 25 LYS QG 3.617 . 5.317 5.370 5.345 5.400 0.083 18 0 "[ . 1 . 2]" 1
533 3 24 CYS HA 3 24 CYS QB 2.020 . 3.520 2.178 2.143 2.241 . 0 0 "[ . 1 . 2]" 1
534 3 24 CYS HA 3 27 ASN HB2 2.582 . 3.582 2.988 2.921 3.065 . 0 0 "[ . 1 . 2]" 1
535 3 24 CYS HA 3 27 ASN HB3 2.856 . 3.856 3.998 3.954 4.051 0.195 2 0 "[ . 1 . 2]" 1
536 3 24 CYS HA 3 31 THR MG 3.378 . 4.878 4.979 4.907 5.013 0.135 7 0 "[ . 1 . 2]" 1
537 3 24 CYS QB 3 25 LYS H 3.019 . 4.719 3.288 2.925 3.549 . 0 0 "[ . 1 . 2]" 1
538 3 24 CYS QB 3 30 ALA HA 3.068 . 4.568 4.375 4.195 4.594 0.026 10 0 "[ . 1 . 2]" 1
539 3 24 CYS QB 3 30 ALA MB 2.689 . 4.189 2.379 2.306 2.524 . 0 0 "[ . 1 . 2]" 1
540 3 24 CYS QB 3 31 THR H 2.783 . 4.483 2.504 2.293 2.725 . 0 0 "[ . 1 . 2]" 1
541 3 24 CYS QB 3 31 THR HA 2.566 . 4.066 2.547 2.422 2.685 . 0 0 "[ . 1 . 2]" 1
542 3 24 CYS QB 3 31 THR HB 2.801 . 4.301 3.792 3.732 3.852 . 0 0 "[ . 1 . 2]" 1
543 3 24 CYS QB 3 31 THR MG 3.447 . 5.197 2.634 2.414 2.791 . 0 0 "[ . 1 . 2]" 1
544 3 24 CYS QB 3 34 LYS HB2 3.133 . 4.633 4.261 3.910 4.701 0.067 14 0 "[ . 1 . 2]" 1
545 3 24 CYS QB 3 34 LYS QD 3.208 . 4.958 3.903 3.597 4.199 . 0 0 "[ . 1 . 2]" 1
546 3 25 LYS H 3 25 LYS HA 2.391 . 3.591 2.591 2.577 2.602 . 0 0 "[ . 1 . 2]" 1
547 3 25 LYS H 3 25 LYS HB2 2.503 . 3.703 2.740 2.701 2.786 . 0 0 "[ . 1 . 2]" 1
548 3 25 LYS H 3 25 LYS HB3 2.484 . 3.684 2.325 2.300 2.348 . 0 0 "[ . 1 . 2]" 1
549 3 25 LYS H 3 25 LYS QD 3.860 . 5.560 4.729 4.643 4.811 . 0 0 "[ . 1 . 2]" 1
550 3 25 LYS H 3 25 LYS QE 5.341 . 7.041 4.008 3.938 4.095 . 0 0 "[ . 1 . 2]" 1
551 3 25 LYS H 3 25 LYS QG 2.842 . 4.542 3.951 3.935 3.969 . 0 0 "[ . 1 . 2]" 1
552 3 25 LYS HA 3 25 LYS HB2 2.335 . 3.335 2.254 2.246 2.270 . 0 0 "[ . 1 . 2]" 1
553 3 25 LYS HA 3 25 LYS HB3 2.402 . 3.402 2.924 2.914 2.937 . 0 0 "[ . 1 . 2]" 1
554 3 25 LYS HA 3 25 LYS QE 4.009 . 5.509 4.474 4.417 4.544 . 0 0 "[ . 1 . 2]" 1
555 3 25 LYS HA 3 25 LYS QG 2.883 . 4.383 2.795 2.769 2.820 . 0 0 "[ . 1 . 2]" 1
556 3 25 LYS HA 3 26 GLY H 2.082 . 3.282 2.104 2.081 2.121 . 0 0 "[ . 1 . 2]" 1
557 3 25 LYS HB2 3 25 LYS QD 2.362 . 3.862 2.372 2.326 2.402 . 0 0 "[ . 1 . 2]" 1
558 3 25 LYS HB2 3 25 LYS QE 2.891 . 4.391 2.792 2.631 2.986 . 0 0 "[ . 1 . 2]" 1
559 3 25 LYS HB2 3 25 LYS QG 2.550 . 4.050 2.374 2.346 2.411 . 0 0 "[ . 1 . 2]" 1
560 3 25 LYS HB2 3 26 GLY H 2.877 . 4.077 4.035 3.980 4.069 . 0 0 "[ . 1 . 2]" 1
561 3 25 LYS HB3 3 25 LYS QE 3.736 . 5.236 2.026 1.952 2.087 . 0 0 "[ . 1 . 2]" 1
562 3 25 LYS HB3 3 25 LYS QG 2.582 . 4.082 2.312 2.287 2.333 . 0 0 "[ . 1 . 2]" 1
563 3 25 LYS HB3 3 26 GLY H 3.027 . 4.227 4.440 4.424 4.457 0.230 7 0 "[ . 1 . 2]" 1
564 3 25 LYS QD 3 26 GLY H 4.382 . 6.082 4.968 4.870 5.081 . 0 0 "[ . 1 . 2]" 1
565 3 25 LYS QE 3 25 LYS QG 3.047 . 4.797 2.335 2.280 2.371 . 0 0 "[ . 1 . 2]" 1
566 3 25 LYS QG 3 26 GLY H 3.595 . 5.295 3.135 3.069 3.223 . 0 0 "[ . 1 . 2]" 1
567 3 25 LYS QG 3 26 GLY QA 3.854 . 5.604 3.261 3.234 3.277 . 0 0 "[ . 1 . 2]" 1
568 3 26 GLY H 3 26 GLY QA 2.143 . 3.843 2.269 2.261 2.282 . 0 0 "[ . 1 . 2]" 1
569 3 26 GLY QA 3 27 ASN H 2.683 . 4.383 2.924 2.912 2.935 . 0 0 "[ . 1 . 2]" 1
570 3 27 ASN H 3 27 ASN HA 2.410 . 3.610 2.952 2.945 2.956 . 0 0 "[ . 1 . 2]" 1
571 3 27 ASN H 3 27 ASN HB2 2.118 . 3.318 2.413 2.390 2.432 . 0 0 "[ . 1 . 2]" 1
572 3 27 ASN H 3 27 ASN HB3 2.220 . 3.420 3.512 3.499 3.531 0.111 5 0 "[ . 1 . 2]" 1
573 3 27 ASN H 3 30 ALA MB 3.339 . 5.039 4.423 4.368 4.515 . 0 0 "[ . 1 . 2]" 1
574 3 27 ASN HA 3 27 ASN HB2 2.445 . 3.445 2.964 2.956 2.974 . 0 0 "[ . 1 . 2]" 1
575 3 27 ASN HA 3 27 ASN HB3 2.356 . 3.356 2.653 2.639 2.670 . 0 0 "[ . 1 . 2]" 1
576 3 27 ASN HA 3 28 GLN H 2.028 . 3.228 2.212 2.186 2.238 . 0 0 "[ . 1 . 2]" 1
577 3 27 ASN HA 3 28 GLN HA 3.310 . 4.310 4.362 4.343 4.378 0.068 16 0 "[ . 1 . 2]" 1
578 3 27 ASN HA 3 28 GLN QG 2.739 . 4.239 4.172 3.346 4.350 0.111 11 0 "[ . 1 . 2]" 1
579 3 27 ASN HA 3 30 ALA MB 4.815 . 6.315 4.758 4.667 4.869 . 0 0 "[ . 1 . 2]" 1
580 3 27 ASN HB2 3 30 ALA H 2.618 . 3.818 3.941 3.877 3.995 0.177 13 0 "[ . 1 . 2]" 1
581 3 27 ASN HB2 3 30 ALA MB 2.579 . 3.579 2.786 2.719 2.882 . 0 0 "[ . 1 . 2]" 1
582 3 27 ASN HB3 3 28 GLN HA 3.164 . 4.164 4.377 4.345 4.410 0.246 1 0 "[ . 1 . 2]" 1
583 3 27 ASN HB3 3 30 ALA H 3.023 . 4.223 2.481 2.410 2.531 . 0 0 "[ . 1 . 2]" 1
584 3 27 ASN HB3 3 30 ALA MB 2.653 . 3.653 2.551 2.466 2.660 . 0 0 "[ . 1 . 2]" 1
585 3 28 GLN H 3 28 GLN HA 2.665 . 3.865 2.898 2.890 2.910 . 0 0 "[ . 1 . 2]" 1
586 3 28 GLN H 3 28 GLN HB2 2.088 . 3.288 2.511 2.347 2.872 . 0 0 "[ . 1 . 2]" 1
587 3 28 GLN H 3 28 GLN HB3 2.612 . 3.812 3.654 3.597 3.683 . 0 0 "[ . 1 . 2]" 1
588 3 28 GLN H 3 28 GLN QG 2.366 . 4.066 2.934 2.070 3.111 . 0 0 "[ . 1 . 2]" 1
589 3 28 GLN HA 3 28 GLN HB2 2.338 . 3.338 2.996 2.975 3.009 . 0 0 "[ . 1 . 2]" 1
590 3 28 GLN HA 3 28 GLN HB3 2.360 . 3.360 2.458 2.287 2.574 . 0 0 "[ . 1 . 2]" 1
591 3 28 GLN HA 3 28 GLN QE 3.332 . 4.832 4.544 2.607 4.782 . 0 0 "[ . 1 . 2]" 1
592 3 28 GLN HA 3 28 GLN QG 2.493 . 3.993 2.329 2.243 2.722 . 0 0 "[ . 1 . 2]" 1
593 3 28 GLN HA 3 30 ALA MB 4.594 . 6.094 4.979 4.907 5.049 . 0 0 "[ . 1 . 2]" 1
594 3 28 GLN HA 3 31 THR H 2.646 . 3.846 3.534 3.488 3.583 . 0 0 "[ . 1 . 2]" 1
595 3 28 GLN HA 3 31 THR HB 2.541 . 3.541 3.597 3.565 3.629 0.088 17 0 "[ . 1 . 2]" 1
596 3 28 GLN HA 3 42 ILE HB 3.316 . 4.316 4.270 4.154 4.405 0.089 14 0 "[ . 1 . 2]" 1
597 3 28 GLN HA 3 42 ILE MD 2.465 . 3.965 2.778 2.689 2.857 . 0 0 "[ . 1 . 2]" 1
598 3 28 GLN HA 3 42 ILE MG 2.932 . 4.432 3.231 3.129 3.362 . 0 0 "[ . 1 . 2]" 1
599 3 28 GLN HB2 3 28 GLN QG 2.248 . 3.748 2.453 2.139 2.523 . 0 0 "[ . 1 . 2]" 1
600 3 28 GLN HB2 3 29 ARG H 2.072 . 3.272 2.923 2.839 3.009 . 0 0 "[ . 1 . 2]" 1
601 3 28 GLN HB2 3 29 ARG HA 3.510 . 4.510 4.412 4.071 4.563 0.053 16 0 "[ . 1 . 2]" 1
602 3 28 GLN HB2 3 42 ILE HB 3.588 . 4.588 4.629 4.461 4.682 0.094 4 0 "[ . 1 . 2]" 1
603 3 28 GLN HB2 3 42 ILE MG 3.173 . 4.673 4.726 4.632 4.778 0.105 19 0 "[ . 1 . 2]" 1
604 3 28 GLN HB3 3 28 GLN QG 2.285 . 3.785 2.188 2.127 2.521 . 0 0 "[ . 1 . 2]" 1
605 3 28 GLN HB3 3 29 ARG H 2.539 . 3.739 3.819 3.632 4.098 0.359 6 0 "[ . 1 . 2]" 1
606 3 28 GLN HB3 3 42 ILE MD 2.650 . 4.150 2.623 2.434 2.799 . 0 0 "[ . 1 . 2]" 1
607 3 28 GLN HB3 3 42 ILE MG 2.417 . 3.917 3.465 3.249 3.660 . 0 0 "[ . 1 . 2]" 1
608 3 28 GLN QE 3 28 GLN QG 2.319 . 4.069 2.184 2.093 2.683 . 0 0 "[ . 1 . 2]" 1
609 3 28 GLN QE 3 43 GLN HA 3.248 . 4.748 3.845 1.997 4.789 0.041 17 0 "[ . 1 . 2]" 1
610 3 28 GLN QE 3 43 GLN QG 3.148 . 4.898 3.039 1.785 3.948 0.015 16 0 "[ . 1 . 2]" 1
611 3 28 GLN QE 3 46 LEU MD2 3.784 . 5.534 4.631 3.881 5.229 . 0 0 "[ . 1 . 2]" 1
612 3 28 GLN QG 3 42 ILE MD 2.413 . 4.163 3.438 2.859 4.225 0.063 6 0 "[ . 1 . 2]" 1
613 3 28 GLN QG 3 42 ILE MG 2.881 . 4.631 2.809 2.184 4.237 . 0 0 "[ . 1 . 2]" 1
614 3 29 ARG H 3 29 ARG HA 2.862 . 4.062 2.813 2.806 2.823 . 0 0 "[ . 1 . 2]" 1
615 3 29 ARG H 3 29 ARG HB2 2.417 . 3.617 2.688 2.488 3.009 . 0 0 "[ . 1 . 2]" 1
616 3 29 ARG H 3 29 ARG HB3 2.292 . 3.492 3.612 3.542 3.654 0.162 11 0 "[ . 1 . 2]" 1
617 3 29 ARG H 3 29 ARG QG 2.715 . 4.415 2.130 1.666 2.512 0.134 7 0 "[ . 1 . 2]" 1
618 3 29 ARG HA 3 29 ARG HB2 2.320 . 3.320 3.011 2.971 3.033 . 0 0 "[ . 1 . 2]" 1
619 3 29 ARG HA 3 29 ARG HB3 2.430 . 3.430 2.419 2.286 2.518 . 0 0 "[ . 1 . 2]" 1
620 3 29 ARG HA 3 29 ARG QD 3.108 . 4.608 4.155 3.525 4.481 . 0 0 "[ . 1 . 2]" 1
621 3 29 ARG HA 3 32 ALA MB 2.581 . 3.581 2.857 2.786 2.996 . 0 0 "[ . 1 . 2]" 1
622 3 29 ARG HA 3 33 ARG H 3.298 . 4.498 4.295 4.168 4.412 . 0 0 "[ . 1 . 2]" 1
623 3 29 ARG HA 3 39 ARG QB 2.788 . 4.288 2.639 2.408 3.007 . 0 0 "[ . 1 . 2]" 1
624 3 29 ARG HB2 3 29 ARG QD 2.516 . 4.016 2.859 2.446 3.322 . 0 0 "[ . 1 . 2]" 1
625 3 29 ARG HB2 3 39 ARG HE 2.902 . 3.902 4.017 3.914 4.096 0.193 2 0 "[ . 1 . 2]" 1
626 3 29 ARG HB3 3 29 ARG QD 2.520 . 4.020 2.662 2.385 3.031 . 0 0 "[ . 1 . 2]" 1
627 3 29 ARG HB3 3 29 ARG QG 2.161 . 3.661 2.283 2.131 2.504 . 0 0 "[ . 1 . 2]" 1
628 3 29 ARG HB3 3 39 ARG HE 2.715 . 3.715 3.301 2.548 3.841 0.126 19 0 "[ . 1 . 2]" 1
629 3 29 ARG QD 3 29 ARG QG 2.287 . 4.037 1.961 1.925 1.995 . 0 0 "[ . 1 . 2]" 1
630 3 29 ARG QD 3 39 ARG QD 2.776 . 4.526 3.783 2.405 4.570 0.044 4 0 "[ . 1 . 2]" 1
631 3 29 ARG QG 3 39 ARG QD 2.540 . 4.290 2.587 2.090 3.066 . 0 0 "[ . 1 . 2]" 1
632 3 29 ARG QG 3 39 ARG HE 2.641 . 4.141 2.226 1.751 3.213 0.049 2 0 "[ . 1 . 2]" 1
633 3 30 ALA H 3 30 ALA HA 2.630 . 3.830 2.815 2.800 2.840 . 0 0 "[ . 1 . 2]" 1
634 3 30 ALA H 3 30 ALA MB 2.780 . 4.480 2.225 2.204 2.247 . 0 0 "[ . 1 . 2]" 1
635 3 30 ALA HA 3 30 ALA MB 2.426 . 3.426 2.121 2.117 2.125 . 0 0 "[ . 1 . 2]" 1
636 3 30 ALA HA 3 33 ARG H 2.896 . 4.096 3.380 3.298 3.454 . 0 0 "[ . 1 . 2]" 1
637 3 30 ALA HA 3 33 ARG HB2 2.485 . 3.485 2.377 2.330 2.472 . 0 0 "[ . 1 . 2]" 1
638 3 30 ALA HA 3 33 ARG HB3 2.815 . 3.815 3.853 3.794 3.899 0.085 14 0 "[ . 1 . 2]" 1
639 3 30 ALA HA 3 33 ARG HE 2.841 . 3.841 3.687 2.282 3.863 0.021 18 0 "[ . 1 . 2]" 1
640 3 30 ALA HA 3 33 ARG QG 2.943 . 4.443 4.008 3.815 4.156 . 0 0 "[ . 1 . 2]" 1
641 3 30 ALA HA 3 34 LYS H 3.335 . 4.535 3.935 3.862 4.008 . 0 0 "[ . 1 . 2]" 1
642 3 30 ALA MB 3 31 THR H 2.815 . 4.515 2.581 2.531 2.651 . 0 0 "[ . 1 . 2]" 1
643 3 30 ALA MB 3 31 THR HA 3.373 . 4.873 3.862 3.841 3.897 . 0 0 "[ . 1 . 2]" 1
644 3 30 ALA MB 3 31 THR HB 4.441 . 5.941 5.094 5.057 5.166 . 0 0 "[ . 1 . 2]" 1
645 3 30 ALA MB 3 33 ARG HE 4.023 . 5.523 4.683 3.665 4.831 . 0 0 "[ . 1 . 2]" 1
646 3 31 THR H 3 31 THR HB 1.886 . 3.086 3.000 2.965 3.028 . 0 0 "[ . 1 . 2]" 1
647 3 31 THR H 3 31 THR MG 3.320 . 5.020 3.681 3.667 3.699 . 0 0 "[ . 1 . 2]" 1
648 3 31 THR HA 3 31 THR HB 2.015 . 3.015 2.976 2.964 2.982 . 0 0 "[ . 1 . 2]" 1
649 3 31 THR HA 3 31 THR MG 2.500 . 4.000 2.201 2.188 2.222 . 0 0 "[ . 1 . 2]" 1
650 3 31 THR HA 3 32 ALA MB 4.719 . 6.219 5.013 5.004 5.024 . 0 0 "[ . 1 . 2]" 1
651 3 31 THR HA 3 33 ARG H 2.964 . 4.164 4.217 4.171 4.269 0.104 14 0 "[ . 1 . 2]" 1
652 3 31 THR HA 3 34 LYS H 2.902 . 4.102 3.421 3.377 3.460 . 0 0 "[ . 1 . 2]" 1
653 3 31 THR HA 3 34 LYS HB2 2.796 . 3.796 3.477 3.350 3.629 . 0 0 "[ . 1 . 2]" 1
654 3 31 THR HA 3 34 LYS HB3 3.152 . 4.152 2.809 2.743 2.912 . 0 0 "[ . 1 . 2]" 1
655 3 31 THR HA 3 34 LYS QD 3.389 . 4.889 3.628 3.565 3.742 . 0 0 "[ . 1 . 2]" 1
656 3 31 THR HA 3 42 ILE MD 3.559 . 5.059 4.383 4.213 4.654 . 0 0 "[ . 1 . 2]" 1
657 3 31 THR HA 3 42 ILE MG 4.667 . 6.167 5.970 5.780 6.137 . 0 0 "[ . 1 . 2]" 1
658 3 31 THR HB 3 31 THR MG 2.299 . 3.799 2.137 2.124 2.146 . 0 0 "[ . 1 . 2]" 1
659 3 31 THR HB 3 32 ALA MB 4.138 . 5.638 3.866 3.826 3.899 . 0 0 "[ . 1 . 2]" 1
660 3 31 THR HB 3 42 ILE MD 2.724 . 4.224 2.029 1.859 2.300 . 0 0 "[ . 1 . 2]" 1
661 3 31 THR HB 3 42 ILE MG 4.137 . 5.637 3.477 3.259 3.610 . 0 0 "[ . 1 . 2]" 1
662 3 31 THR MG 3 32 ALA HA 3.846 . 5.346 4.288 4.225 4.350 . 0 0 "[ . 1 . 2]" 1
663 3 31 THR MG 3 45 TRP HZ3 4.853 . 6.353 5.624 5.552 5.754 . 0 0 "[ . 1 . 2]" 1
664 3 32 ALA H 3 32 ALA HA 2.518 . 3.718 2.838 2.830 2.847 . 0 0 "[ . 1 . 2]" 1
665 3 32 ALA H 3 32 ALA MB 2.754 . 4.454 2.230 2.217 2.239 . 0 0 "[ . 1 . 2]" 1
666 3 32 ALA H 3 33 ARG HB2 3.157 . 4.357 4.458 4.427 4.485 0.129 13 0 "[ . 1 . 2]" 1
667 3 32 ALA HA 3 32 ALA MB 2.406 . 3.406 2.143 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
668 3 32 ALA HA 3 33 ARG H 3.067 . 4.267 3.523 3.512 3.532 . 0 0 "[ . 1 . 2]" 1
669 3 32 ALA HA 3 35 TYR H 3.043 . 4.243 3.600 3.544 3.679 . 0 0 "[ . 1 . 2]" 1
670 3 32 ALA HA 3 35 TYR HB2 2.992 . 3.992 3.142 3.090 3.240 . 0 0 "[ . 1 . 2]" 1
671 3 32 ALA HA 3 35 TYR HB3 3.021 . 4.021 4.176 4.140 4.225 0.204 20 0 "[ . 1 . 2]" 1
672 3 32 ALA HA 3 35 TYR QD 3.975 . 5.475 4.694 4.596 4.821 . 0 0 "[ . 1 . 2]" 1
673 3 32 ALA HA 3 36 ASN H 2.776 . 3.976 4.153 4.115 4.205 0.229 12 0 "[ . 1 . 2]" 1
674 3 32 ALA HA 3 37 ILE HB 3.385 . 4.385 4.467 4.419 4.507 0.122 2 0 "[ . 1 . 2]" 1
675 3 32 ALA HA 3 37 ILE MD 2.874 . 4.374 2.729 2.618 2.812 . 0 0 "[ . 1 . 2]" 1
676 3 32 ALA HA 3 37 ILE QG 2.246 . 3.746 1.839 1.791 1.869 0.009 16 0 "[ . 1 . 2]" 1
677 3 32 ALA HA 3 37 ILE MG 4.199 . 5.699 4.205 4.031 4.308 . 0 0 "[ . 1 . 2]" 1
678 3 32 ALA HA 3 42 ILE MD 3.504 . 5.004 2.696 2.502 2.842 . 0 0 "[ . 1 . 2]" 1
679 3 32 ALA HA 3 42 ILE QG 3.518 . 5.018 4.016 3.833 4.138 . 0 0 "[ . 1 . 2]" 1
680 3 32 ALA MB 3 33 ARG H 3.114 . 4.814 2.655 2.582 2.707 . 0 0 "[ . 1 . 2]" 1
681 3 32 ALA MB 3 33 ARG HA 4.196 . 5.696 3.882 3.831 3.915 . 0 0 "[ . 1 . 2]" 1
682 3 32 ALA MB 3 34 LYS H 4.615 . 6.315 4.669 4.598 4.727 . 0 0 "[ . 1 . 2]" 1
683 3 32 ALA MB 3 35 TYR HB2 3.628 . 5.128 4.696 4.652 4.774 . 0 0 "[ . 1 . 2]" 1
684 3 32 ALA MB 3 36 ASN H 3.529 . 5.229 4.774 4.743 4.815 . 0 0 "[ . 1 . 2]" 1
685 3 32 ALA MB 3 37 ILE HB 3.613 . 5.113 4.207 4.070 4.290 . 0 0 "[ . 1 . 2]" 1
686 3 32 ALA MB 3 37 ILE MD 3.285 . 4.785 3.226 3.078 3.349 . 0 0 "[ . 1 . 2]" 1
687 3 32 ALA MB 3 37 ILE QG 2.828 . 4.578 2.330 2.120 2.447 . 0 0 "[ . 1 . 2]" 1
688 3 32 ALA MB 3 38 HIS HA 4.011 . 5.511 3.107 2.947 3.247 . 0 0 "[ . 1 . 2]" 1
689 3 32 ALA MB 3 39 ARG HA 2.529 . 4.029 2.530 2.343 2.822 . 0 0 "[ . 1 . 2]" 1
690 3 32 ALA MB 3 42 ILE H 4.539 . 6.239 4.576 4.449 4.740 . 0 0 "[ . 1 . 2]" 1
691 3 32 ALA MB 3 42 ILE MD 2.874 . 4.624 2.081 1.949 2.160 . 0 0 "[ . 1 . 2]" 1
692 3 32 ALA MB 3 42 ILE QG 3.692 . 5.442 3.041 2.905 3.168 . 0 0 "[ . 1 . 2]" 1
693 3 32 ALA MB 3 42 ILE MG 3.927 . 5.677 4.584 4.493 4.646 . 0 0 "[ . 1 . 2]" 1
694 3 33 ARG H 3 33 ARG HA 2.584 . 3.784 2.840 2.832 2.847 . 0 0 "[ . 1 . 2]" 1
695 3 33 ARG H 3 33 ARG HB2 2.185 . 3.385 2.154 2.132 2.191 . 0 0 "[ . 1 . 2]" 1
696 3 33 ARG H 3 33 ARG HB3 2.537 . 3.737 3.474 3.459 3.499 . 0 0 "[ . 1 . 2]" 1
697 3 33 ARG H 3 33 ARG QD 3.117 . 4.817 3.779 3.437 4.403 . 0 0 "[ . 1 . 2]" 1
698 3 33 ARG H 3 33 ARG QG 2.427 . 4.127 2.885 2.800 2.956 . 0 0 "[ . 1 . 2]" 1
699 3 33 ARG HA 3 33 ARG HB2 2.368 . 3.368 2.972 2.963 2.983 . 0 0 "[ . 1 . 2]" 1
700 3 33 ARG HA 3 33 ARG HB3 2.388 . 3.388 2.676 2.656 2.697 . 0 0 "[ . 1 . 2]" 1
701 3 33 ARG HA 3 33 ARG QD 2.939 . 4.439 4.031 3.946 4.077 . 0 0 "[ . 1 . 2]" 1
702 3 33 ARG HA 3 33 ARG QG 2.370 . 3.870 2.253 2.211 2.281 . 0 0 "[ . 1 . 2]" 1
703 3 33 ARG HA 3 34 LYS H 3.032 . 4.232 3.529 3.519 3.533 . 0 0 "[ . 1 . 2]" 1
704 3 33 ARG HA 3 36 ASN H 2.787 . 3.987 3.433 3.358 3.498 . 0 0 "[ . 1 . 2]" 1
705 3 33 ARG HA 3 36 ASN HA 3.169 . 4.169 3.286 3.238 3.334 . 0 0 "[ . 1 . 2]" 1
706 3 33 ARG HB2 3 33 ARG QD 2.560 . 4.060 2.497 2.280 2.946 . 0 0 "[ . 1 . 2]" 1
707 3 33 ARG HB2 3 33 ARG HE 2.485 . 3.485 2.743 2.573 2.997 . 0 0 "[ . 1 . 2]" 1
708 3 33 ARG HB2 3 33 ARG QG 2.308 . 3.808 2.397 2.356 2.461 . 0 0 "[ . 1 . 2]" 1
709 3 33 ARG HB2 3 34 LYS H 2.474 . 3.674 2.730 2.684 2.797 . 0 0 "[ . 1 . 2]" 1
710 3 33 ARG HB3 3 33 ARG QD 2.506 . 4.006 3.095 2.598 3.259 . 0 0 "[ . 1 . 2]" 1
711 3 33 ARG HB3 3 33 ARG HE 2.783 . 3.783 2.190 1.896 3.771 . 0 0 "[ . 1 . 2]" 1
712 3 33 ARG HB3 3 34 LYS H 2.853 . 4.053 3.183 3.125 3.228 . 0 0 "[ . 1 . 2]" 1
713 3 33 ARG QD 3 33 ARG HE 2.238 . 3.738 2.449 2.382 2.486 . 0 0 "[ . 1 . 2]" 1
714 3 33 ARG QD 3 33 ARG QG 2.260 . 4.010 1.974 1.955 1.999 . 0 0 "[ . 1 . 2]" 1
715 3 33 ARG HE 3 33 ARG QG 2.785 . 4.285 2.782 2.656 2.902 . 0 0 "[ . 1 . 2]" 1
716 3 34 LYS H 3 34 LYS HA 2.694 . 3.894 2.819 2.808 2.839 . 0 0 "[ . 1 . 2]" 1
717 3 34 LYS H 3 34 LYS HB2 2.121 . 3.321 2.421 2.380 2.471 . 0 0 "[ . 1 . 2]" 1
718 3 34 LYS H 3 34 LYS HB3 2.932 . 4.132 2.605 2.535 2.678 . 0 0 "[ . 1 . 2]" 1
719 3 34 LYS H 3 34 LYS QD 3.622 . 5.322 4.373 4.348 4.409 . 0 0 "[ . 1 . 2]" 1
720 3 34 LYS H 3 34 LYS QG 3.156 . 4.856 3.952 3.939 3.968 . 0 0 "[ . 1 . 2]" 1
721 3 34 LYS HA 3 34 LYS HB2 2.302 . 3.302 2.514 2.484 2.539 . 0 0 "[ . 1 . 2]" 1
722 3 34 LYS HA 3 34 LYS QD 3.183 . 4.683 4.069 4.037 4.094 . 0 0 "[ . 1 . 2]" 1
723 3 34 LYS HA 3 34 LYS QG 2.498 . 3.998 2.462 2.428 2.492 . 0 0 "[ . 1 . 2]" 1
724 3 34 LYS HA 3 35 TYR H 3.163 . 4.363 3.505 3.492 3.520 . 0 0 "[ . 1 . 2]" 1
725 3 34 LYS HA 3 35 TYR QD 4.104 . 5.604 5.253 5.086 5.487 . 0 0 "[ . 1 . 2]" 1
726 3 34 LYS HA 3 36 ASN H 3.626 . 4.826 3.986 3.925 4.045 . 0 0 "[ . 1 . 2]" 1
727 3 34 LYS HB2 3 34 LYS QD 2.440 . 3.940 2.570 2.462 2.676 . 0 0 "[ . 1 . 2]" 1
728 3 34 LYS HB2 3 34 LYS QE 3.390 . 4.890 4.272 4.224 4.323 . 0 0 "[ . 1 . 2]" 1
729 3 34 LYS HB2 3 34 LYS QG 2.370 . 3.870 2.244 2.205 2.282 . 0 0 "[ . 1 . 2]" 1
730 3 34 LYS HB2 3 35 TYR H 2.599 . 3.799 3.793 3.716 3.849 0.049 7 0 "[ . 1 . 2]" 1
731 3 34 LYS HB2 3 36 ASN H 4.196 . 5.396 5.359 5.281 5.410 0.014 6 0 "[ . 1 . 2]" 1
732 3 34 LYS HB3 3 34 LYS QD 2.955 . 4.455 2.244 2.180 2.298 . 0 0 "[ . 1 . 2]" 1
733 3 34 LYS HB3 3 34 LYS QE 4.004 . 5.504 3.964 3.919 4.011 . 0 0 "[ . 1 . 2]" 1
734 3 34 LYS HB3 3 35 TYR H 3.405 . 4.605 2.585 2.399 2.731 . 0 0 "[ . 1 . 2]" 1
735 3 34 LYS HB3 3 36 ASN H 4.355 . 5.555 4.614 4.488 4.717 . 0 0 "[ . 1 . 2]" 1
736 3 34 LYS QE 3 34 LYS QG 2.857 . 4.607 2.308 2.249 2.348 . 0 0 "[ . 1 . 2]" 1
737 3 34 LYS QE 3 35 TYR QE 3.780 . 5.530 3.734 3.427 4.057 . 0 0 "[ . 1 . 2]" 1
738 3 34 LYS QG 3 35 TYR H 3.299 . 4.999 3.849 3.669 4.043 . 0 0 "[ . 1 . 2]" 1
739 3 34 LYS QG 3 35 TYR HA 3.413 . 4.913 3.911 3.755 4.145 . 0 0 "[ . 1 . 2]" 1
740 3 35 TYR H 3 35 TYR HB2 2.148 . 3.348 2.155 2.118 2.188 . 0 0 "[ . 1 . 2]" 1
741 3 35 TYR H 3 35 TYR HB3 2.119 . 3.319 3.433 3.418 3.445 0.127 3 0 "[ . 1 . 2]" 1
742 3 35 TYR H 3 36 ASN HB2 4.250 . 5.450 5.139 5.051 5.220 . 0 0 "[ . 1 . 2]" 1
743 3 35 TYR H 3 36 ASN HB3 4.267 . 5.467 5.570 5.533 5.624 0.157 5 0 "[ . 1 . 2]" 1
744 3 35 TYR HA 3 35 TYR HB2 2.374 . 3.374 2.968 2.960 2.976 . 0 0 "[ . 1 . 2]" 1
745 3 35 TYR HA 3 35 TYR HB3 2.115 . 3.115 2.694 2.681 2.710 . 0 0 "[ . 1 . 2]" 1
746 3 35 TYR HA 3 35 TYR QD 2.857 . 4.357 2.922 2.753 3.002 . 0 0 "[ . 1 . 2]" 1
747 3 35 TYR HA 3 37 ILE MD 4.379 . 5.879 5.477 5.377 5.574 . 0 0 "[ . 1 . 2]" 1
748 3 35 TYR HA 3 37 ILE MG 4.158 . 5.658 4.489 4.385 4.563 . 0 0 "[ . 1 . 2]" 1
749 3 35 TYR HB2 3 36 ASN H 2.621 . 3.821 3.538 3.495 3.577 . 0 0 "[ . 1 . 2]" 1
750 3 35 TYR HB2 3 37 ILE MD 3.739 . 5.239 3.361 3.261 3.473 . 0 0 "[ . 1 . 2]" 1
751 3 35 TYR HB2 3 37 ILE QG 2.489 . 3.989 2.638 2.596 2.697 . 0 0 "[ . 1 . 2]" 1
752 3 35 TYR HB2 3 37 ILE MG 3.122 . 4.622 3.851 3.719 3.963 . 0 0 "[ . 1 . 2]" 1
753 3 35 TYR HB3 3 36 ASN H 2.551 . 3.751 3.945 3.921 3.969 0.219 20 0 "[ . 1 . 2]" 1
754 3 35 TYR HB3 3 37 ILE MD 3.859 . 5.359 3.285 3.157 3.411 . 0 0 "[ . 1 . 2]" 1
755 3 35 TYR HB3 3 37 ILE QG 2.636 . 4.136 2.531 2.365 2.725 . 0 0 "[ . 1 . 2]" 1
756 3 35 TYR HB3 3 37 ILE MG 2.902 . 4.402 2.802 2.687 2.887 . 0 0 "[ . 1 . 2]" 1
757 3 35 TYR QD 3 36 ASN H 3.711 . 5.411 4.794 4.749 4.848 . 0 0 "[ . 1 . 2]" 1
758 3 35 TYR QD 3 37 ILE MD 3.665 . 5.415 4.257 4.130 4.370 . 0 0 "[ . 1 . 2]" 1
759 3 35 TYR QD 3 37 ILE MG 3.832 . 5.582 4.125 4.020 4.195 . 0 0 "[ . 1 . 2]" 1
760 3 35 TYR QE 3 37 ILE MG 4.864 . 6.614 5.858 5.779 5.921 . 0 0 "[ . 1 . 2]" 1
761 3 36 ASN H 3 36 ASN HB2 2.994 . 4.194 3.021 2.986 3.061 . 0 0 "[ . 1 . 2]" 1
762 3 36 ASN H 3 36 ASN HB3 3.228 . 4.428 3.604 3.565 3.665 . 0 0 "[ . 1 . 2]" 1
763 3 36 ASN HA 3 36 ASN HB2 2.638 . 3.638 2.502 2.483 2.535 . 0 0 "[ . 1 . 2]" 1
764 3 36 ASN HA 3 36 ASN HB3 2.741 . 3.741 3.017 3.009 3.022 . 0 0 "[ . 1 . 2]" 1
765 3 36 ASN HA 3 37 ILE QG 2.780 . 4.280 4.321 4.280 4.377 0.097 12 0 "[ . 1 . 2]" 1
766 3 36 ASN HB2 3 37 ILE MG 4.294 . 5.794 5.010 4.885 5.106 . 0 0 "[ . 1 . 2]" 1
767 3 36 ASN HB3 3 36 ASN QD 2.984 . 4.484 2.195 2.174 2.214 . 0 0 "[ . 1 . 2]" 1
768 3 36 ASN HB3 3 37 ILE MG 4.082 . 5.582 3.881 3.769 3.959 . 0 0 "[ . 1 . 2]" 1
769 3 37 ILE H 3 37 ILE HB 3.099 . 4.299 3.852 3.826 3.872 . 0 0 "[ . 1 . 2]" 1
770 3 37 ILE H 3 37 ILE MD 3.952 . 5.652 4.034 3.985 4.070 . 0 0 "[ . 1 . 2]" 1
771 3 37 ILE H 3 37 ILE QG 2.168 . 3.868 2.369 2.309 2.417 . 0 0 "[ . 1 . 2]" 1
772 3 37 ILE H 3 37 ILE MG 3.439 . 5.139 3.172 3.075 3.262 . 0 0 "[ . 1 . 2]" 1
773 3 37 ILE HA 3 37 ILE HB 2.049 . 3.049 2.511 2.491 2.544 . 0 0 "[ . 1 . 2]" 1
774 3 37 ILE HA 3 37 ILE MD 3.715 . 5.215 4.155 4.137 4.178 . 0 0 "[ . 1 . 2]" 1
775 3 37 ILE HA 3 37 ILE QG 2.669 . 4.169 3.311 3.290 3.326 . 0 0 "[ . 1 . 2]" 1
776 3 37 ILE HA 3 37 ILE MG 2.899 . 4.399 2.344 2.312 2.382 . 0 0 "[ . 1 . 2]" 1
777 3 37 ILE HB 3 37 ILE MD 2.708 . 4.208 2.279 2.240 2.308 . 0 0 "[ . 1 . 2]" 1
778 3 37 ILE HB 3 37 ILE QG 2.275 . 3.775 2.443 2.423 2.461 . 0 0 "[ . 1 . 2]" 1
779 3 37 ILE HB 3 45 TRP HH2 3.214 . 4.214 4.279 4.236 4.321 0.107 19 0 "[ . 1 . 2]" 1
780 3 37 ILE MD 3 37 ILE MG 2.658 . 4.408 2.119 2.013 2.222 . 0 0 "[ . 1 . 2]" 1
781 3 37 ILE MD 3 41 GLN HA 3.945 . 5.445 5.504 5.472 5.579 0.133 16 0 "[ . 1 . 2]" 1
782 3 37 ILE MD 3 41 GLN HB2 2.996 . 4.496 3.235 3.122 3.289 . 0 0 "[ . 1 . 2]" 1
783 3 37 ILE MD 3 41 GLN HB3 2.987 . 4.487 3.572 3.489 3.732 . 0 0 "[ . 1 . 2]" 1
784 3 37 ILE MD 3 42 ILE HA 4.029 . 5.529 4.273 4.150 4.397 . 0 0 "[ . 1 . 2]" 1
785 3 37 ILE MD 3 42 ILE HB 3.977 . 5.477 4.764 4.660 4.884 . 0 0 "[ . 1 . 2]" 1
786 3 37 ILE MD 3 42 ILE QG 3.621 . 5.371 2.303 2.220 2.402 . 0 0 "[ . 1 . 2]" 1
787 3 37 ILE MD 3 45 TRP HZ2 3.243 . 4.743 4.121 4.031 4.184 . 0 0 "[ . 1 . 2]" 1
788 3 37 ILE QG 3 42 ILE MD 4.364 . 6.114 3.192 3.076 3.314 . 0 0 "[ . 1 . 2]" 1
789 3 37 ILE MG 3 41 GLN HB3 4.699 . 6.199 5.256 5.163 5.365 . 0 0 "[ . 1 . 2]" 1
790 3 37 ILE MG 3 42 ILE MD 4.319 . 6.069 5.135 5.022 5.248 . 0 0 "[ . 1 . 2]" 1
791 3 38 HIS H 3 38 HIS QB 2.391 . 4.091 2.308 2.265 2.376 . 0 0 "[ . 1 . 2]" 1
792 3 38 HIS HA 3 38 HIS QB 2.334 . 3.834 2.466 2.419 2.496 . 0 0 "[ . 1 . 2]" 1
793 3 38 HIS HA 3 38 HIS HD1 3.098 . 4.598 2.670 2.364 2.889 . 0 0 "[ . 1 . 2]" 1
794 3 38 HIS HA 3 39 ARG HA 3.216 . 4.216 4.269 4.238 4.302 0.086 6 0 "[ . 1 . 2]" 1
795 3 38 HIS HA 3 39 ARG QG 2.427 . 3.927 3.895 3.601 4.052 0.125 19 0 "[ . 1 . 2]" 1
796 3 38 HIS QB 3 40 ARG QB 2.807 . 4.557 3.439 3.256 3.548 . 0 0 "[ . 1 . 2]" 1
797 3 39 ARG H 3 39 ARG HA 2.804 . 4.004 2.899 2.884 2.914 . 0 0 "[ . 1 . 2]" 1
798 3 39 ARG H 3 39 ARG QG 1.973 . 3.673 2.015 1.722 2.209 0.078 4 0 "[ . 1 . 2]" 1
799 3 39 ARG HA 3 39 ARG QB 2.307 . 3.807 2.149 2.137 2.164 . 0 0 "[ . 1 . 2]" 1
800 3 39 ARG HA 3 39 ARG QD 3.279 . 4.779 4.502 4.227 4.611 . 0 0 "[ . 1 . 2]" 1
801 3 39 ARG HA 3 39 ARG HE 3.354 . 4.354 4.424 4.277 4.593 0.239 9 0 "[ . 1 . 2]" 1
802 3 39 ARG HA 3 39 ARG QG 2.512 . 4.012 3.323 3.309 3.341 . 0 0 "[ . 1 . 2]" 1
803 3 39 ARG HA 3 41 GLN H 3.213 . 4.413 3.967 3.792 4.142 . 0 0 "[ . 1 . 2]" 1
804 3 39 ARG HA 3 42 ILE H 2.720 . 3.920 3.166 2.979 3.316 . 0 0 "[ . 1 . 2]" 1
805 3 39 ARG HA 3 42 ILE HB 3.085 . 4.085 3.515 3.328 3.608 . 0 0 "[ . 1 . 2]" 1
806 3 39 ARG HA 3 42 ILE MD 3.533 . 5.033 2.652 2.401 2.841 . 0 0 "[ . 1 . 2]" 1
807 3 39 ARG HA 3 42 ILE MG 2.973 . 4.473 4.611 4.437 4.710 0.237 4 0 "[ . 1 . 2]" 1
808 3 39 ARG QB 3 39 ARG QD 2.851 . 4.601 2.407 2.231 2.622 . 0 0 "[ . 1 . 2]" 1
809 3 39 ARG QB 3 39 ARG HE 2.832 . 4.332 2.072 1.913 2.255 . 0 0 "[ . 1 . 2]" 1
810 3 39 ARG HE 3 39 ARG QG 2.438 . 3.938 3.064 2.659 3.264 . 0 0 "[ . 1 . 2]" 1
811 3 40 ARG HA 3 40 ARG QB 2.372 . 3.872 2.446 2.399 2.499 . 0 0 "[ . 1 . 2]" 1
812 3 40 ARG HA 3 40 ARG QD 2.309 . 3.809 2.808 1.708 3.203 0.092 9 0 "[ . 1 . 2]" 1
813 3 40 ARG HA 3 40 ARG HE 2.651 . 3.651 2.628 2.007 3.868 0.217 12 0 "[ . 1 . 2]" 1
814 3 40 ARG HA 3 40 ARG QG 2.426 . 3.926 2.538 2.439 2.598 . 0 0 "[ . 1 . 2]" 1
815 3 40 ARG HA 3 41 GLN H 2.846 . 4.046 3.552 3.524 3.572 . 0 0 "[ . 1 . 2]" 1
816 3 40 ARG HA 3 43 GLN H 2.817 . 4.017 3.620 3.505 3.745 . 0 0 "[ . 1 . 2]" 1
817 3 40 ARG HA 3 43 GLN HB2 2.372 . 3.372 2.504 2.393 2.665 . 0 0 "[ . 1 . 2]" 1
818 3 40 ARG HA 3 43 GLN HB3 2.625 . 3.625 3.775 3.704 3.947 0.322 12 0 "[ . 1 . 2]" 1
819 3 40 ARG HA 3 44 LYS H 2.697 . 3.897 3.977 3.881 4.069 0.172 11 0 "[ . 1 . 2]" 1
820 3 40 ARG QB 3 40 ARG HE 2.920 . 4.420 3.428 2.602 3.781 . 0 0 "[ . 1 . 2]" 1
821 3 40 ARG QB 3 40 ARG QG 1.870 . 3.620 2.003 1.930 2.027 . 0 0 "[ . 1 . 2]" 1
822 3 40 ARG QB 3 41 GLN H 3.146 . 4.846 2.852 2.697 3.007 . 0 0 "[ . 1 . 2]" 1
823 3 40 ARG QD 3 40 ARG HE 2.088 . 3.588 2.294 2.244 2.410 . 0 0 "[ . 1 . 2]" 1
824 3 40 ARG QD 3 40 ARG QG 2.191 . 3.941 2.010 1.941 2.031 . 0 0 "[ . 1 . 2]" 1
825 3 40 ARG QD 3 44 LYS H 3.513 . 5.213 5.419 5.316 5.493 0.280 16 0 "[ . 1 . 2]" 1
826 3 40 ARG HE 3 40 ARG QG 2.217 . 3.717 2.720 2.516 3.040 . 0 0 "[ . 1 . 2]" 1
827 3 40 ARG QG 3 44 LYS H 2.361 . 4.061 4.136 3.718 5.521 1.460 16 4 "[ . -1 * *.+ 2]" 1
828 3 41 GLN H 3 41 GLN HA 2.647 . 3.847 2.827 2.795 2.840 . 0 0 "[ . 1 . 2]" 1
829 3 41 GLN H 3 41 GLN HB2 2.108 . 3.308 2.186 2.151 2.268 . 0 0 "[ . 1 . 2]" 1
830 3 41 GLN H 3 41 GLN HB3 2.111 . 3.311 3.472 3.449 3.511 0.200 14 0 "[ . 1 . 2]" 1
831 3 41 GLN H 3 41 GLN QG 2.439 . 4.139 3.480 3.398 3.523 . 0 0 "[ . 1 . 2]" 1
832 3 41 GLN HA 3 41 GLN HB2 2.476 . 3.476 2.970 2.955 3.000 . 0 0 "[ . 1 . 2]" 1
833 3 41 GLN HA 3 41 GLN HB3 2.378 . 3.378 2.628 2.583 2.662 . 0 0 "[ . 1 . 2]" 1
834 3 41 GLN HA 3 41 GLN QE 2.582 . 4.082 3.807 3.650 4.071 . 0 0 "[ . 1 . 2]" 1
835 3 41 GLN HA 3 41 GLN QG 2.349 . 3.849 2.548 2.416 2.660 . 0 0 "[ . 1 . 2]" 1
836 3 41 GLN HA 3 42 ILE H 2.818 . 4.018 3.644 3.625 3.654 . 0 0 "[ . 1 . 2]" 1
837 3 41 GLN HA 3 44 LYS H 2.624 . 3.824 3.279 3.224 3.364 . 0 0 "[ . 1 . 2]" 1
838 3 41 GLN HA 3 44 LYS HB2 2.467 . 3.467 2.264 2.202 2.368 . 0 0 "[ . 1 . 2]" 1
839 3 41 GLN HA 3 44 LYS HB3 2.568 . 3.568 3.768 3.683 3.853 0.285 6 0 "[ . 1 . 2]" 1
840 3 41 GLN HA 3 44 LYS QG 2.918 . 4.418 3.414 3.288 3.596 . 0 0 "[ . 1 . 2]" 1
841 3 41 GLN HA 3 45 TRP H 3.027 . 4.227 3.627 3.572 3.682 . 0 0 "[ . 1 . 2]" 1
842 3 41 GLN HB2 3 41 GLN QE 2.775 . 4.275 2.690 2.468 2.878 . 0 0 "[ . 1 . 2]" 1
843 3 41 GLN HB2 3 41 GLN QG 2.201 . 3.701 2.233 2.195 2.298 . 0 0 "[ . 1 . 2]" 1
844 3 41 GLN HB2 3 42 ILE H 2.417 . 3.617 2.923 2.836 2.978 . 0 0 "[ . 1 . 2]" 1
845 3 41 GLN HB2 3 45 TRP HD1 4.630 . 6.130 6.128 5.976 6.189 0.059 6 0 "[ . 1 . 2]" 1
846 3 41 GLN HB3 3 41 GLN QE 2.652 . 4.152 3.868 3.728 3.976 . 0 0 "[ . 1 . 2]" 1
847 3 41 GLN HB3 3 41 GLN QG 2.093 . 3.593 2.148 2.138 2.156 . 0 0 "[ . 1 . 2]" 1
848 3 41 GLN HB3 3 42 ILE H 2.325 . 3.525 3.363 3.288 3.457 . 0 0 "[ . 1 . 2]" 1
849 3 41 GLN QE 3 41 GLN QG 2.265 . 4.015 2.230 2.173 2.297 . 0 0 "[ . 1 . 2]" 1
850 3 42 ILE H 3 42 ILE HA 2.682 . 3.882 2.855 2.839 2.867 . 0 0 "[ . 1 . 2]" 1
851 3 42 ILE H 3 42 ILE HB 2.347 . 3.547 2.809 2.770 2.881 . 0 0 "[ . 1 . 2]" 1
852 3 42 ILE H 3 42 ILE MD 4.122 . 5.822 3.580 3.527 3.641 . 0 0 "[ . 1 . 2]" 1
853 3 42 ILE H 3 42 ILE QG 2.691 . 4.391 1.865 1.786 1.928 0.014 6 0 "[ . 1 . 2]" 1
854 3 42 ILE H 3 42 ILE MG 3.654 . 5.354 3.772 3.760 3.782 . 0 0 "[ . 1 . 2]" 1
855 3 42 ILE HA 3 42 ILE HB 2.680 . 3.680 3.028 3.013 3.039 . 0 0 "[ . 1 . 2]" 1
856 3 42 ILE HA 3 42 ILE MD 3.074 . 4.574 3.897 3.847 3.956 . 0 0 "[ . 1 . 2]" 1
857 3 42 ILE HA 3 42 ILE QG 2.904 . 4.404 2.619 2.572 2.701 . 0 0 "[ . 1 . 2]" 1
858 3 42 ILE HA 3 42 ILE MG 2.806 . 4.306 2.301 2.248 2.332 . 0 0 "[ . 1 . 2]" 1
859 3 42 ILE HA 3 43 GLN H 3.087 . 4.287 3.467 3.450 3.496 . 0 0 "[ . 1 . 2]" 1
860 3 42 ILE HA 3 43 GLN HA 3.468 . 4.468 4.722 4.707 4.751 0.283 12 0 "[ . 1 . 2]" 1
861 3 42 ILE HA 3 45 TRP HE3 2.746 . 3.746 3.089 2.982 3.168 . 0 0 "[ . 1 . 2]" 1
862 3 42 ILE HB 3 42 ILE MD 3.082 . 4.582 2.474 2.439 2.534 . 0 0 "[ . 1 . 2]" 1
863 3 42 ILE HB 3 42 ILE QG 2.656 . 4.156 2.342 2.314 2.364 . 0 0 "[ . 1 . 2]" 1
864 3 42 ILE HB 3 43 GLN H 2.594 . 3.794 2.496 2.433 2.601 . 0 0 "[ . 1 . 2]" 1
865 3 42 ILE HB 3 43 GLN HA 3.173 . 4.173 3.950 3.883 3.986 . 0 0 "[ . 1 . 2]" 1
866 3 42 ILE MD 3 42 ILE MG 2.634 . 4.384 1.857 1.778 1.941 0.022 17 0 "[ . 1 . 2]" 1
867 3 42 ILE MD 3 43 GLN QG 3.132 . 4.882 4.793 4.343 4.921 0.039 11 0 "[ . 1 . 2]" 1
868 3 42 ILE QG 3 42 ILE MG 3.005 . 4.755 2.340 2.303 2.383 . 0 0 "[ . 1 . 2]" 1
869 3 42 ILE QG 3 43 GLN H 3.582 . 5.282 3.536 3.434 3.586 . 0 0 "[ . 1 . 2]" 1
870 3 42 ILE MG 3 43 GLN H 3.954 . 5.654 3.688 3.615 3.787 . 0 0 "[ . 1 . 2]" 1
871 3 42 ILE MG 3 43 GLN HA 3.639 . 5.139 3.861 3.794 3.968 . 0 0 "[ . 1 . 2]" 1
872 3 42 ILE MG 3 43 GLN HB2 4.531 . 6.031 5.180 5.066 5.480 . 0 0 "[ . 1 . 2]" 1
873 3 42 ILE MG 3 43 GLN QG 3.752 . 5.502 4.229 4.034 4.522 . 0 0 "[ . 1 . 2]" 1
874 3 43 GLN H 3 43 GLN HA 2.628 . 3.828 2.819 2.803 2.833 . 0 0 "[ . 1 . 2]" 1
875 3 43 GLN H 3 43 GLN HB2 2.079 . 3.279 2.085 2.013 2.360 . 0 0 "[ . 1 . 2]" 1
876 3 43 GLN H 3 43 GLN HB3 2.259 . 3.459 3.413 3.356 3.531 0.072 12 0 "[ . 1 . 2]" 1
877 3 43 GLN H 3 43 GLN QG 2.403 . 4.103 2.878 2.222 3.027 . 0 0 "[ . 1 . 2]" 1
878 3 43 GLN HA 3 43 GLN HB2 2.238 . 3.238 2.969 2.930 3.026 . 0 0 "[ . 1 . 2]" 1
879 3 43 GLN HA 3 43 GLN HB3 2.294 . 3.294 2.715 2.544 2.773 . 0 0 "[ . 1 . 2]" 1
880 3 43 GLN HA 3 43 GLN QE 3.359 . 4.859 3.433 2.226 4.724 . 0 0 "[ . 1 . 2]" 1
881 3 43 GLN HA 3 44 LYS H 3.163 . 4.363 3.529 3.514 3.538 . 0 0 "[ . 1 . 2]" 1
882 3 43 GLN HA 3 46 LEU H 3.076 . 4.276 3.646 3.593 3.679 . 0 0 "[ . 1 . 2]" 1
883 3 43 GLN HA 3 46 LEU HB2 2.757 . 3.757 2.660 2.600 2.709 . 0 0 "[ . 1 . 2]" 1
884 3 43 GLN HA 3 46 LEU HB3 3.009 . 4.009 4.059 3.983 4.120 0.111 5 0 "[ . 1 . 2]" 1
885 3 43 GLN HA 3 46 LEU MD1 3.993 . 5.493 2.099 1.949 2.315 . 0 0 "[ . 1 . 2]" 1
886 3 43 GLN HA 3 46 LEU MD2 2.906 . 4.406 4.569 4.505 4.640 0.233 16 0 "[ . 1 . 2]" 1
887 3 43 GLN HA 3 47 GLN H 3.234 . 4.434 4.657 4.594 4.698 0.264 7 0 "[ . 1 . 2]" 1
888 3 43 GLN HB2 3 43 GLN QE 2.499 . 3.999 3.854 3.704 4.000 0.002 1 0 "[ . 1 . 2]" 1
889 3 43 GLN HB2 3 44 LYS H 2.253 . 3.453 2.784 2.568 2.873 . 0 0 "[ . 1 . 2]" 1
890 3 43 GLN HB3 3 43 GLN QE 2.807 . 4.307 3.479 2.628 4.201 . 0 0 "[ . 1 . 2]" 1
891 3 43 GLN HB3 3 44 LYS H 2.377 . 3.577 3.217 3.084 3.540 . 0 0 "[ . 1 . 2]" 1
892 3 43 GLN QE 3 43 GLN QG 2.752 . 4.502 2.183 2.115 2.269 . 0 0 "[ . 1 . 2]" 1
893 3 43 GLN QG 3 44 LYS H 3.145 . 4.845 4.354 4.108 4.426 . 0 0 "[ . 1 . 2]" 1
894 3 44 LYS H 3 44 LYS HB2 2.213 . 3.413 2.195 2.138 2.275 . 0 0 "[ . 1 . 2]" 1
895 3 44 LYS H 3 44 LYS HB3 2.256 . 3.456 3.487 3.454 3.525 0.069 3 0 "[ . 1 . 2]" 1
896 3 44 LYS H 3 44 LYS QD 3.289 . 4.989 4.042 3.834 4.199 . 0 0 "[ . 1 . 2]" 1
897 3 44 LYS H 3 44 LYS QE 4.228 . 5.928 4.987 4.622 5.291 . 0 0 "[ . 1 . 2]" 1
898 3 44 LYS H 3 44 LYS QG 2.618 . 4.318 2.713 2.549 2.877 . 0 0 "[ . 1 . 2]" 1
899 3 44 LYS HA 3 44 LYS HB2 2.427 . 3.427 2.978 2.967 3.000 . 0 0 "[ . 1 . 2]" 1
900 3 44 LYS HA 3 44 LYS HB3 2.411 . 3.411 2.610 2.562 2.667 . 0 0 "[ . 1 . 2]" 1
901 3 44 LYS HA 3 44 LYS QD 2.599 . 4.099 2.061 1.918 2.362 . 0 0 "[ . 1 . 2]" 1
902 3 44 LYS HA 3 44 LYS QE 3.566 . 5.066 3.817 3.633 4.184 . 0 0 "[ . 1 . 2]" 1
903 3 44 LYS HA 3 44 LYS QG 2.644 . 4.144 2.602 2.506 2.734 . 0 0 "[ . 1 . 2]" 1
904 3 44 LYS HA 3 45 TRP H 3.435 . 4.635 3.585 3.562 3.601 . 0 0 "[ . 1 . 2]" 1
905 3 44 LYS HA 3 45 TRP HD1 3.935 . 5.435 5.187 5.102 5.242 . 0 0 "[ . 1 . 2]" 1
906 3 44 LYS HA 3 47 GLN H 3.059 . 4.259 3.132 3.060 3.191 . 0 0 "[ . 1 . 2]" 1
907 3 44 LYS HA 3 47 GLN QB 2.896 . 4.396 2.534 2.362 2.657 . 0 0 "[ . 1 . 2]" 1
908 3 44 LYS HA 3 47 GLN QG 3.403 . 4.903 4.012 3.514 4.177 . 0 0 "[ . 1 . 2]" 1
909 3 44 LYS HB2 3 44 LYS QE 3.214 . 4.714 4.514 4.451 4.574 . 0 0 "[ . 1 . 2]" 1
910 3 44 LYS HB2 3 44 LYS QG 2.277 . 3.777 2.161 2.147 2.172 . 0 0 "[ . 1 . 2]" 1
911 3 44 LYS HB2 3 45 TRP H 2.426 . 3.626 2.700 2.627 2.768 . 0 0 "[ . 1 . 2]" 1
912 3 44 LYS HB3 3 44 LYS QE 3.251 . 4.751 4.141 3.975 4.194 . 0 0 "[ . 1 . 2]" 1
913 3 44 LYS HB3 3 44 LYS QG 2.310 . 3.810 2.388 2.340 2.414 . 0 0 "[ . 1 . 2]" 1
914 3 44 LYS HB3 3 45 TRP H 2.589 . 3.789 3.266 3.195 3.363 . 0 0 "[ . 1 . 2]" 1
915 3 44 LYS HB3 3 47 GLN H 3.401 . 4.601 4.794 4.763 4.827 0.226 3 0 "[ . 1 . 2]" 1
916 3 44 LYS HB3 3 47 GLN QG 3.729 . 5.229 5.389 5.314 5.517 0.287 6 0 "[ . 1 . 2]" 1
917 3 44 LYS QD 3 47 GLN QB 3.533 . 5.283 3.082 2.918 3.278 . 0 0 "[ . 1 . 2]" 1
918 3 44 LYS QE 3 44 LYS QG 2.851 . 4.601 2.346 2.274 2.400 . 0 0 "[ . 1 . 2]" 1
919 3 44 LYS QG 3 47 GLN QG 3.736 . 5.486 5.337 4.976 5.540 0.054 13 0 "[ . 1 . 2]" 1
920 3 45 TRP H 3 45 TRP HB2 2.477 . 3.677 2.627 2.580 2.669 . 0 0 "[ . 1 . 2]" 1
921 3 45 TRP H 3 45 TRP HB3 2.444 . 3.644 3.625 3.608 3.641 . 0 0 "[ . 1 . 2]" 1
922 3 45 TRP H 3 45 TRP HD1 2.902 . 4.602 2.835 2.735 2.892 . 0 0 "[ . 1 . 2]" 1
923 3 45 TRP H 3 46 LEU HG 3.484 . 4.684 4.655 4.565 4.769 0.084 16 0 "[ . 1 . 2]" 1
924 3 45 TRP HA 3 45 TRP HB2 2.487 . 3.487 3.022 3.014 3.031 . 0 0 "[ . 1 . 2]" 1
925 3 45 TRP HA 3 45 TRP HB3 2.220 . 3.220 2.436 2.424 2.455 . 0 0 "[ . 1 . 2]" 1
926 3 45 TRP HA 3 45 TRP HD1 2.395 . 3.895 2.296 2.260 2.349 . 0 0 "[ . 1 . 2]" 1
927 3 45 TRP HA 3 48 CYS HB2 3.035 . 4.035 4.080 4.046 4.138 0.104 6 0 "[ . 1 . 2]" 1
928 3 45 TRP HA 3 48 CYS HB3 3.143 . 4.143 3.528 3.438 3.638 . 0 0 "[ . 1 . 2]" 1
929 3 45 TRP HA 3 52 LEU MD1 5.085 . 6.585 3.343 3.265 3.451 . 0 0 "[ . 1 . 2]" 1
930 3 45 TRP HA 3 52 LEU MD2 3.651 . 5.151 3.756 3.688 3.856 . 0 0 "[ . 1 . 2]" 1
931 3 45 TRP HB2 3 46 LEU H 2.690 . 3.890 2.762 2.672 2.864 . 0 0 "[ . 1 . 2]" 1
932 3 45 TRP HB2 3 46 LEU HA 3.345 . 4.345 4.190 4.148 4.243 . 0 0 "[ . 1 . 2]" 1
933 3 45 TRP HB2 3 46 LEU MD1 4.603 . 6.103 5.117 4.999 5.306 . 0 0 "[ . 1 . 2]" 1
934 3 45 TRP HB2 3 52 LEU MD1 4.249 . 5.749 3.238 3.186 3.327 . 0 0 "[ . 1 . 2]" 1
935 3 45 TRP HB2 3 52 LEU MD2 3.220 . 4.720 4.906 4.849 4.962 0.241 7 0 "[ . 1 . 2]" 1
936 3 45 TRP HB2 3 52 LEU HG 4.200 . 5.200 5.231 5.163 5.280 0.081 5 0 "[ . 1 . 2]" 1
937 3 45 TRP HB3 3 46 LEU H 2.700 . 3.900 3.839 3.776 3.908 0.008 7 0 "[ . 1 . 2]" 1
938 3 45 TRP HB3 3 46 LEU HA 3.403 . 4.403 4.590 4.562 4.637 0.234 14 0 "[ . 1 . 2]" 1
939 3 45 TRP HB3 3 52 LEU MD1 4.145 . 5.645 1.853 1.800 1.936 . 0 0 "[ . 1 . 2]" 1
940 3 45 TRP HB3 3 52 LEU MD2 2.873 . 4.373 3.407 3.347 3.473 . 0 0 "[ . 1 . 2]" 1
941 3 45 TRP HE3 3 52 LEU MD2 3.678 . 5.178 5.391 5.352 5.430 0.252 15 0 "[ . 1 . 2]" 1
942 3 45 TRP HH2 3 45 TRP HZ3 2.477 . 3.477 2.412 2.403 2.422 . 0 0 "[ . 1 . 2]" 1
943 3 46 LEU H 3 46 LEU HA 2.632 . 3.832 2.798 2.778 2.817 . 0 0 "[ . 1 . 2]" 1
944 3 46 LEU H 3 46 LEU HB2 2.125 . 3.325 2.199 2.151 2.233 . 0 0 "[ . 1 . 2]" 1
945 3 46 LEU H 3 46 LEU HB3 2.391 . 3.591 3.495 3.473 3.513 . 0 0 "[ . 1 . 2]" 1
946 3 46 LEU H 3 46 LEU MD1 3.884 . 5.584 3.652 3.574 3.820 . 0 0 "[ . 1 . 2]" 1
947 3 46 LEU H 3 46 LEU MD2 3.791 . 5.491 3.629 3.530 3.702 . 0 0 "[ . 1 . 2]" 1
948 3 46 LEU H 3 46 LEU HG 2.785 . 3.985 2.624 2.549 2.764 . 0 0 "[ . 1 . 2]" 1
949 3 46 LEU HA 3 46 LEU HB2 2.530 . 3.530 2.963 2.953 2.970 . 0 0 "[ . 1 . 2]" 1
950 3 46 LEU HA 3 46 LEU HB3 2.408 . 3.408 2.602 2.585 2.628 . 0 0 "[ . 1 . 2]" 1
951 3 46 LEU HA 3 46 LEU MD1 2.559 . 4.059 3.765 3.722 3.793 . 0 0 "[ . 1 . 2]" 1
952 3 46 LEU HA 3 46 LEU MD2 3.362 . 4.862 1.909 1.843 1.983 . 0 0 "[ . 1 . 2]" 1
953 3 46 LEU HA 3 46 LEU HG 2.763 . 3.763 2.807 2.744 2.894 . 0 0 "[ . 1 . 2]" 1
954 3 46 LEU HA 3 47 GLN H 3.224 . 4.424 3.486 3.474 3.497 . 0 0 "[ . 1 . 2]" 1
955 3 46 LEU HA 3 49 GLU H 3.034 . 4.234 2.805 2.757 2.863 . 0 0 "[ . 1 . 2]" 1
956 3 46 LEU HA 3 49 GLU HA 3.324 . 4.324 4.239 4.197 4.298 . 0 0 "[ . 1 . 2]" 1
957 3 46 LEU HA 3 49 GLU HB2 2.532 . 3.532 2.614 2.466 2.739 . 0 0 "[ . 1 . 2]" 1
958 3 46 LEU HA 3 49 GLU HB3 2.816 . 3.816 2.561 2.496 2.633 . 0 0 "[ . 1 . 2]" 1
959 3 46 LEU HB2 3 46 LEU MD1 2.840 . 4.340 2.241 2.180 2.375 . 0 0 "[ . 1 . 2]" 1
960 3 46 LEU HB2 3 46 LEU MD2 2.540 . 4.040 3.179 3.167 3.189 . 0 0 "[ . 1 . 2]" 1
961 3 46 LEU HB2 3 46 LEU HG 2.528 . 3.528 2.462 2.404 2.499 . 0 0 "[ . 1 . 2]" 1
962 3 46 LEU HB2 3 47 GLN H 2.297 . 3.497 2.662 2.616 2.712 . 0 0 "[ . 1 . 2]" 1
963 3 46 LEU HB2 3 48 CYS H 3.032 . 4.232 4.526 4.498 4.559 0.328 8 0 "[ . 1 . 2]" 1
964 3 46 LEU HB3 3 46 LEU MD1 2.653 . 4.153 2.432 2.330 2.502 . 0 0 "[ . 1 . 2]" 1
965 3 46 LEU HB3 3 46 LEU MD2 2.624 . 4.124 2.303 2.262 2.386 . 0 0 "[ . 1 . 2]" 1
966 3 46 LEU HB3 3 46 LEU HG 2.298 . 3.298 3.011 3.007 3.014 . 0 0 "[ . 1 . 2]" 1
967 3 46 LEU HB3 3 47 GLN H 2.557 . 3.757 3.405 3.351 3.469 . 0 0 "[ . 1 . 2]" 1
968 3 46 LEU HB3 3 48 CYS H 3.339 . 4.539 4.633 4.600 4.669 0.130 5 0 "[ . 1 . 2]" 1
969 3 46 LEU MD1 3 46 LEU MD2 2.637 . 4.387 2.088 2.073 2.101 . 0 0 "[ . 1 . 2]" 1
970 3 46 LEU MD1 3 47 GLN H 4.003 . 5.703 4.547 4.498 4.642 . 0 0 "[ . 1 . 2]" 1
971 3 46 LEU MD1 3 49 GLU H 4.318 . 6.018 6.003 5.948 6.048 0.031 4 0 "[ . 1 . 2]" 1
972 3 46 LEU MD1 3 49 GLU HB2 4.364 . 5.864 5.447 5.345 5.528 . 0 0 "[ . 1 . 2]" 1
973 3 46 LEU MD1 3 49 GLU HB3 3.903 . 5.403 5.475 5.383 5.540 0.136 4 0 "[ . 1 . 2]" 1
974 3 46 LEU MD2 3 47 GLN H 4.122 . 5.822 4.597 4.535 4.650 . 0 0 "[ . 1 . 2]" 1
975 3 46 LEU MD2 3 49 GLU H 4.679 . 6.379 4.094 3.986 4.167 . 0 0 "[ . 1 . 2]" 1
976 3 46 LEU HG 3 47 GLN H 3.509 . 4.709 4.556 4.497 4.620 . 0 0 "[ . 1 . 2]" 1
977 3 47 GLN H 3 47 GLN HA 2.679 . 3.879 2.870 2.861 2.881 . 0 0 "[ . 1 . 2]" 1
978 3 47 GLN H 3 47 GLN QB 2.394 . 4.094 2.146 1.988 2.228 . 0 0 "[ . 1 . 2]" 1
979 3 47 GLN H 3 47 GLN QG 2.612 . 4.312 3.975 3.722 4.036 . 0 0 "[ . 1 . 2]" 1
980 3 47 GLN H 3 48 CYS HB2 3.329 . 4.529 4.643 4.614 4.663 0.134 3 0 "[ . 1 . 2]" 1
981 3 47 GLN HA 3 47 GLN QB 2.420 . 3.920 2.449 2.382 2.540 . 0 0 "[ . 1 . 2]" 1
982 3 47 GLN HA 3 47 GLN QG 2.744 . 4.244 2.686 2.335 2.960 . 0 0 "[ . 1 . 2]" 1
983 3 47 GLN QB 3 47 GLN QE 3.534 . 5.284 2.024 1.741 2.850 0.059 19 0 "[ . 1 . 2]" 1
984 3 47 GLN QB 3 47 GLN QG 2.338 . 4.088 1.996 1.968 2.008 . 0 0 "[ . 1 . 2]" 1
985 3 47 GLN QB 3 48 CYS H 2.919 . 4.619 3.240 3.209 3.271 . 0 0 "[ . 1 . 2]" 1
986 3 47 GLN QB 3 48 CYS HA 3.634 . 5.134 4.610 4.430 4.715 . 0 0 "[ . 1 . 2]" 1
987 3 47 GLN QG 3 48 CYS H 3.798 . 5.498 4.487 4.295 4.895 . 0 0 "[ . 1 . 2]" 1
988 3 48 CYS H 3 48 CYS HA 2.544 . 3.744 2.941 2.929 2.950 . 0 0 "[ . 1 . 2]" 1
989 3 48 CYS H 3 48 CYS HB2 2.637 . 3.837 3.001 2.986 3.011 . 0 0 "[ . 1 . 2]" 1
990 3 48 CYS H 3 48 CYS HB3 2.548 . 3.748 3.247 3.217 3.279 . 0 0 "[ . 1 . 2]" 1
991 3 48 CYS HA 3 48 CYS HB2 2.344 . 3.344 2.680 2.664 2.689 . 0 0 "[ . 1 . 2]" 1
992 3 48 CYS HA 3 48 CYS HB3 2.331 . 3.331 2.961 2.953 2.968 . 0 0 "[ . 1 . 2]" 1
993 3 48 CYS HA 3 49 GLU H 2.712 . 3.912 3.161 3.135 3.181 . 0 0 "[ . 1 . 2]" 1
994 3 48 CYS HA 3 50 SER QB 4.257 . 5.757 4.081 4.020 4.133 . 0 0 "[ . 1 . 2]" 1
995 3 48 CYS HA 3 51 ASN QB 3.789 . 5.289 3.175 3.107 3.265 . 0 0 "[ . 1 . 2]" 1
996 3 48 CYS HB2 3 49 GLU H 3.157 . 4.357 4.373 4.354 4.403 0.046 20 0 "[ . 1 . 2]" 1
997 3 48 CYS HB2 3 51 ASN QB 2.801 . 3.801 3.930 3.892 3.958 0.157 4 0 "[ . 1 . 2]" 1
998 3 48 CYS HB2 3 51 ASN QD 3.288 . 4.788 4.786 4.733 4.834 0.046 1 0 "[ . 1 . 2]" 1
999 3 48 CYS HB3 3 49 GLU H 3.190 . 4.390 3.956 3.920 3.996 . 0 0 "[ . 1 . 2]" 1
1000 3 48 CYS HB3 3 51 ASN QB 2.923 . 3.923 3.004 2.917 3.087 . 0 0 "[ . 1 . 2]" 1
1001 3 48 CYS HB3 3 51 ASN QD 3.405 . 4.905 3.678 3.622 3.727 . 0 0 "[ . 1 . 2]" 1
1002 3 48 CYS HB3 3 52 LEU MD1 4.812 . 6.312 4.406 4.323 4.503 . 0 0 "[ . 1 . 2]" 1
1003 3 48 CYS HB3 3 52 LEU MD2 4.240 . 5.740 3.485 3.366 3.567 . 0 0 "[ . 1 . 2]" 1
1004 3 48 CYS HB3 3 52 LEU HG 3.211 . 4.211 3.465 3.393 3.554 . 0 0 "[ . 1 . 2]" 1
1005 3 49 GLU H 3 49 GLU HA 2.515 . 3.715 2.752 2.737 2.768 . 0 0 "[ . 1 . 2]" 1
1006 3 49 GLU H 3 49 GLU HB2 1.980 . 3.180 2.832 2.762 2.880 . 0 0 "[ . 1 . 2]" 1
1007 3 49 GLU H 3 49 GLU HB3 2.145 . 3.345 2.238 2.198 2.305 . 0 0 "[ . 1 . 2]" 1
1008 3 49 GLU H 3 49 GLU QG 2.711 . 4.411 3.869 3.821 3.924 . 0 0 "[ . 1 . 2]" 1
1009 3 49 GLU H 3 52 LEU MD2 4.304 . 6.004 5.204 5.128 5.279 . 0 0 "[ . 1 . 2]" 1
1010 3 49 GLU HA 3 49 GLU HB2 2.259 . 3.259 2.258 2.239 2.291 . 0 0 "[ . 1 . 2]" 1
1011 3 49 GLU HA 3 49 GLU HB3 2.330 . 3.330 2.985 2.972 3.007 . 0 0 "[ . 1 . 2]" 1
1012 3 49 GLU HA 3 49 GLU QG 2.419 . 3.919 2.762 2.713 2.802 . 0 0 "[ . 1 . 2]" 1
1013 3 49 GLU HA 3 50 SER H 3.179 . 4.379 3.484 3.472 3.492 . 0 0 "[ . 1 . 2]" 1
1014 3 49 GLU HA 3 51 ASN H 3.338 . 4.538 4.054 4.013 4.089 . 0 0 "[ . 1 . 2]" 1
1015 3 49 GLU HA 3 52 LEU H 2.867 . 4.067 2.907 2.852 2.932 . 0 0 "[ . 1 . 2]" 1
1016 3 49 GLU HA 3 52 LEU HA 3.436 . 4.436 4.672 4.613 4.697 0.261 2 0 "[ . 1 . 2]" 1
1017 3 49 GLU HA 3 52 LEU HB2 2.297 . 3.297 2.384 2.289 2.446 . 0 0 "[ . 1 . 2]" 1
1018 3 49 GLU HA 3 52 LEU HB3 2.822 . 3.822 3.797 3.709 3.841 0.019 1 0 "[ . 1 . 2]" 1
1019 3 49 GLU HA 3 52 LEU MD1 4.024 . 5.524 2.154 2.109 2.214 . 0 0 "[ . 1 . 2]" 1
1020 3 49 GLU HA 3 52 LEU MD2 2.824 . 4.324 3.734 3.691 3.764 . 0 0 "[ . 1 . 2]" 1
1021 3 49 GLU HA 3 52 LEU HG 2.827 . 3.827 2.027 1.960 2.076 . 0 0 "[ . 1 . 2]" 1
1022 3 49 GLU HB2 3 49 GLU QG 2.102 . 3.602 2.315 2.289 2.343 . 0 0 "[ . 1 . 2]" 1
1023 3 49 GLU HB2 3 50 SER H 2.388 . 3.588 4.053 4.022 4.070 0.482 17 0 "[ . 1 . 2]" 1
1024 3 49 GLU HB2 3 52 LEU MD2 4.379 . 5.879 5.267 5.208 5.304 . 0 0 "[ . 1 . 2]" 1
1025 3 49 GLU HB3 3 49 GLU QG 2.009 . 3.509 2.369 2.335 2.401 . 0 0 "[ . 1 . 2]" 1
1026 3 49 GLU HB3 3 50 SER H 2.362 . 3.562 2.882 2.821 2.915 . 0 0 "[ . 1 . 2]" 1
1027 3 49 GLU QG 3 50 SER H 2.930 . 4.630 3.009 2.871 3.165 . 0 0 "[ . 1 . 2]" 1
1028 3 49 GLU QG 3 52 LEU MD2 4.176 . 5.926 5.289 5.216 5.372 . 0 0 "[ . 1 . 2]" 1
1029 3 49 GLU QG 3 53 ARG H 3.294 . 4.994 4.029 3.977 4.054 . 0 0 "[ . 1 . 2]" 1
1030 3 49 GLU QG 3 53 ARG QB 3.899 . 5.649 4.515 4.465 4.553 . 0 0 "[ . 1 . 2]" 1
1031 3 49 GLU QG 3 53 ARG HE 2.731 . 4.231 2.787 2.714 2.818 . 0 0 "[ . 1 . 2]" 1
1032 3 49 GLU QG 3 53 ARG QG 3.189 . 4.939 2.897 2.857 2.929 . 0 0 "[ . 1 . 2]" 1
1033 3 50 SER H 3 50 SER HA 2.517 . 3.717 2.797 2.792 2.801 . 0 0 "[ . 1 . 2]" 1
1034 3 50 SER H 3 50 SER QB 2.755 . 4.455 2.550 2.528 2.579 . 0 0 "[ . 1 . 2]" 1
1035 3 50 SER H 3 51 ASN QB 4.204 . 5.904 4.437 4.397 4.465 . 0 0 "[ . 1 . 2]" 1
1036 3 50 SER HA 3 50 SER QB 2.056 . 3.056 2.367 2.354 2.381 . 0 0 "[ . 1 . 2]" 1
1037 3 50 SER HA 3 51 ASN H 3.147 . 4.347 3.505 3.494 3.516 . 0 0 "[ . 1 . 2]" 1
1038 3 50 SER HA 3 53 ARG H 2.985 . 4.185 3.564 3.547 3.590 . 0 0 "[ . 1 . 2]" 1
1039 3 50 SER HA 3 53 ARG QB 2.773 . 3.773 3.046 3.016 3.070 . 0 0 "[ . 1 . 2]" 1
1040 3 50 SER QB 3 51 ASN H 3.178 . 4.878 2.583 2.550 2.617 . 0 0 "[ . 1 . 2]" 1
1041 3 50 SER QB 3 51 ASN QB 3.920 . 5.420 3.815 3.785 3.837 . 0 0 "[ . 1 . 2]" 1
1042 3 50 SER QB 3 52 LEU H 4.280 . 5.980 4.560 4.534 4.588 . 0 0 "[ . 1 . 2]" 1
1043 3 50 SER QB 3 53 ARG H 4.102 . 5.802 4.940 4.929 4.948 . 0 0 "[ . 1 . 2]" 1
1044 3 50 SER QB 3 53 ARG QB 3.523 . 5.023 4.306 4.266 4.349 . 0 0 "[ . 1 . 2]" 1
1045 3 50 SER QB 3 53 ARG QD 4.071 . 5.821 4.210 4.182 4.232 . 0 0 "[ . 1 . 2]" 1
1046 3 50 SER QB 3 53 ARG QG 3.970 . 5.720 4.862 4.837 4.878 . 0 0 "[ . 1 . 2]" 1
1047 3 51 ASN H 3 51 ASN QB 2.644 . 4.344 2.264 2.252 2.275 . 0 0 "[ . 1 . 2]" 1
1048 3 51 ASN H 3 52 LEU HG 3.052 . 4.252 4.283 4.256 4.300 0.048 16 0 "[ . 1 . 2]" 1
1049 3 51 ASN HA 3 51 ASN QB 2.670 . 4.170 2.385 2.376 2.393 . 0 0 "[ . 1 . 2]" 1
1050 3 51 ASN HA 3 52 LEU MD1 5.286 . 6.786 6.721 6.687 6.747 . 0 0 "[ . 1 . 2]" 1
1051 3 51 ASN HA 3 54 SER QB 3.255 . 4.755 3.743 3.135 4.111 . 0 0 "[ . 1 . 2]" 1
1052 3 51 ASN QB 3 52 LEU H 3.001 . 4.701 2.782 2.760 2.799 . 0 0 "[ . 1 . 2]" 1
1053 3 51 ASN QB 3 52 LEU HA 3.739 . 5.239 4.128 4.092 4.159 . 0 0 "[ . 1 . 2]" 1
1054 3 51 ASN QB 3 52 LEU HB2 4.047 . 5.547 4.906 4.852 4.945 . 0 0 "[ . 1 . 2]" 1
1055 3 51 ASN QB 3 52 LEU MD1 3.980 . 5.730 5.130 5.087 5.154 . 0 0 "[ . 1 . 2]" 1
1056 3 51 ASN QB 3 52 LEU HG 3.412 . 4.912 3.878 3.843 3.906 . 0 0 "[ . 1 . 2]" 1
1057 3 51 ASN QB 3 53 ARG H 4.170 . 5.870 4.817 4.800 4.838 . 0 0 "[ . 1 . 2]" 1
1058 3 52 LEU H 3 52 LEU HA 2.734 . 3.934 2.804 2.799 2.810 . 0 0 "[ . 1 . 2]" 1
1059 3 52 LEU H 3 52 LEU HB2 2.116 . 3.316 2.402 2.348 2.452 . 0 0 "[ . 1 . 2]" 1
1060 3 52 LEU H 3 52 LEU HB3 2.381 . 3.581 3.582 3.556 3.601 0.020 16 0 "[ . 1 . 2]" 1
1061 3 52 LEU H 3 52 LEU MD1 3.777 . 5.477 3.841 3.802 3.867 . 0 0 "[ . 1 . 2]" 1
1062 3 52 LEU H 3 52 LEU MD2 3.487 . 5.187 3.184 3.139 3.221 . 0 0 "[ . 1 . 2]" 1
1063 3 52 LEU H 3 52 LEU HG 2.194 . 3.394 2.469 2.436 2.497 . 0 0 "[ . 1 . 2]" 1
1064 3 52 LEU HA 3 52 LEU HB2 2.493 . 3.493 3.007 2.994 3.015 . 0 0 "[ . 1 . 2]" 1
1065 3 52 LEU HA 3 52 LEU HB3 2.387 . 3.387 2.533 2.523 2.548 . 0 0 "[ . 1 . 2]" 1
1066 3 52 LEU HA 3 52 LEU MD1 2.569 . 4.069 3.765 3.743 3.795 . 0 0 "[ . 1 . 2]" 1
1067 3 52 LEU HA 3 52 LEU MD2 3.703 . 5.203 2.085 2.059 2.115 . 0 0 "[ . 1 . 2]" 1
1068 3 52 LEU HA 3 52 LEU HG 2.718 . 3.718 3.218 3.190 3.233 . 0 0 "[ . 1 . 2]" 1
1069 3 52 LEU HA 3 53 ARG H 3.160 . 4.360 3.491 3.477 3.503 . 0 0 "[ . 1 . 2]" 1
1070 3 52 LEU HA 3 55 SER H 3.139 . 4.339 3.442 3.397 3.647 . 0 0 "[ . 1 . 2]" 1
1071 3 52 LEU HA 3 56 VAL MG1 4.460 . 5.960 5.294 4.660 5.955 . 0 0 "[ . 1 . 2]" 1
1072 3 52 LEU HB2 3 52 LEU MD1 2.717 . 4.217 2.507 2.488 2.527 . 0 0 "[ . 1 . 2]" 1
1073 3 52 LEU HB2 3 52 LEU MD2 2.495 . 3.995 3.207 3.189 3.223 . 0 0 "[ . 1 . 2]" 1
1074 3 52 LEU HB2 3 52 LEU HG 2.309 . 3.309 2.365 2.335 2.389 . 0 0 "[ . 1 . 2]" 1
1075 3 52 LEU HB2 3 53 ARG H 2.250 . 3.450 2.489 2.460 2.513 . 0 0 "[ . 1 . 2]" 1
1076 3 52 LEU HB3 3 52 LEU MD1 2.639 . 4.139 2.180 2.149 2.200 . 0 0 "[ . 1 . 2]" 1
1077 3 52 LEU HB3 3 52 LEU MD2 2.516 . 4.016 2.493 2.456 2.529 . 0 0 "[ . 1 . 2]" 1
1078 3 52 LEU HB3 3 52 LEU HG 2.469 . 3.469 3.011 3.003 3.019 . 0 0 "[ . 1 . 2]" 1
1079 3 52 LEU HB3 3 53 ARG H 2.586 . 3.786 3.479 3.445 3.512 . 0 0 "[ . 1 . 2]" 1
1080 3 52 LEU MD2 3 52 LEU HG 2.342 . 3.842 2.116 2.102 2.127 . 0 0 "[ . 1 . 2]" 1
1081 3 52 LEU HG 3 53 ARG H 3.141 . 4.341 4.310 4.286 4.328 . 0 0 "[ . 1 . 2]" 1
1082 3 53 ARG H 3 53 ARG HA 2.652 . 3.852 2.742 2.721 2.759 . 0 0 "[ . 1 . 2]" 1
1083 3 53 ARG H 3 53 ARG QB 2.568 . 4.268 2.385 2.344 2.416 . 0 0 "[ . 1 . 2]" 1
1084 3 53 ARG H 3 53 ARG QD 3.666 . 5.366 3.853 3.836 3.876 . 0 0 "[ . 1 . 2]" 1
1085 3 53 ARG H 3 53 ARG QG 2.879 . 4.579 2.173 2.154 2.209 . 0 0 "[ . 1 . 2]" 1
1086 3 53 ARG HA 3 53 ARG QB 2.446 . 3.446 2.397 2.388 2.408 . 0 0 "[ . 1 . 2]" 1
1087 3 53 ARG HA 3 53 ARG QD 3.230 . 4.730 3.927 3.900 3.960 . 0 0 "[ . 1 . 2]" 1
1088 3 53 ARG HA 3 53 ARG QG 2.591 . 4.091 2.297 2.267 2.318 . 0 0 "[ . 1 . 2]" 1
1089 3 53 ARG HA 3 54 SER H 2.956 . 4.156 3.575 3.566 3.581 . 0 0 "[ . 1 . 2]" 1
1090 3 53 ARG HA 3 54 SER HA 3.506 . 4.506 4.670 4.651 4.684 0.179 16 0 "[ . 1 . 2]" 1
1091 3 53 ARG HA 3 56 VAL H 3.269 . 4.469 3.687 3.547 4.105 . 0 0 "[ . 1 . 2]" 1
1092 3 53 ARG HA 3 56 VAL HB 3.425 . 4.425 3.887 2.697 4.442 0.017 18 0 "[ . 1 . 2]" 1
1093 3 53 ARG HA 3 56 VAL MG1 2.640 . 4.140 2.621 2.240 3.488 . 0 0 "[ . 1 . 2]" 1
1094 3 53 ARG QB 3 53 ARG QD 2.579 . 4.329 2.146 2.131 2.181 . 0 0 "[ . 1 . 2]" 1
1095 3 53 ARG QB 3 53 ARG HE 3.730 . 5.230 4.145 4.133 4.157 . 0 0 "[ . 1 . 2]" 1
1096 3 53 ARG QB 3 53 ARG QG 2.012 . 3.762 2.088 2.085 2.093 . 0 0 "[ . 1 . 2]" 1
1097 3 53 ARG QB 3 54 SER H 2.906 . 4.606 2.484 2.461 2.500 . 0 0 "[ . 1 . 2]" 1
1098 3 53 ARG QB 3 54 SER HA 3.650 . 5.150 3.933 3.907 3.956 . 0 0 "[ . 1 . 2]" 1
1099 3 53 ARG HE 3 53 ARG QG 3.456 . 4.956 2.725 2.683 2.761 . 0 0 "[ . 1 . 2]" 1
1100 3 53 ARG QG 3 54 SER H 3.747 . 5.447 4.109 4.093 4.127 . 0 0 "[ . 1 . 2]" 1
1101 3 54 SER H 3 54 SER QB 2.661 . 4.361 2.627 2.491 2.715 . 0 0 "[ . 1 . 2]" 1
1102 3 54 SER HA 3 54 SER QB 2.654 . 4.154 2.252 2.188 2.370 . 0 0 "[ . 1 . 2]" 1
1103 3 55 SER H 3 55 SER QB 2.736 . 4.436 2.283 2.222 2.444 . 0 0 "[ . 1 . 2]" 1
1104 3 55 SER HA 3 55 SER QB 2.601 . 4.101 2.416 2.169 2.455 . 0 0 "[ . 1 . 2]" 1
1105 3 55 SER QB 3 56 VAL H 3.316 . 5.016 2.894 2.638 3.719 . 0 0 "[ . 1 . 2]" 1
1106 3 55 SER QB 3 56 VAL MG1 3.762 . 5.512 4.521 4.010 5.223 . 0 0 "[ . 1 . 2]" 1
1107 3 56 VAL H 3 56 VAL HA 2.952 . 4.152 2.887 2.848 2.896 . 0 0 "[ . 1 . 2]" 1
1108 3 56 VAL H 3 56 VAL HB 2.942 . 4.142 2.508 2.395 2.696 . 0 0 "[ . 1 . 2]" 1
1109 3 56 VAL H 3 56 VAL MG1 3.420 . 5.120 2.347 2.090 2.515 . 0 0 "[ . 1 . 2]" 1
1110 3 56 VAL H 3 56 VAL MG2 3.987 . 5.687 3.782 3.739 3.804 . 0 0 "[ . 1 . 2]" 1
1111 3 56 VAL HA 3 56 VAL HB 2.689 . 3.689 2.573 2.470 2.627 . 0 0 "[ . 1 . 2]" 1
1112 3 56 VAL HA 3 56 VAL MG1 3.266 . 4.766 3.205 3.185 3.230 . 0 0 "[ . 1 . 2]" 1
1113 3 56 VAL HA 3 56 VAL MG2 3.147 . 4.647 2.246 2.197 2.342 . 0 0 "[ . 1 . 2]" 1
1114 3 56 VAL HA 3 57 ALA H 3.048 . 4.248 3.355 3.152 3.504 . 0 0 "[ . 1 . 2]" 1
1115 3 56 VAL HB 3 57 ALA H 3.054 . 4.254 4.065 3.869 4.311 0.057 13 0 "[ . 1 . 2]" 1
1116 3 56 VAL MG1 3 57 ALA H 4.130 . 5.830 2.717 2.136 3.264 . 0 0 "[ . 1 . 2]" 1
1117 3 56 VAL MG1 3 57 ALA HA 5.028 . 6.528 3.843 3.136 4.432 . 0 0 "[ . 1 . 2]" 1
1118 3 56 VAL MG2 3 57 ALA H 4.419 . 6.119 4.148 3.719 4.314 . 0 0 "[ . 1 . 2]" 1
1119 3 57 ALA H 3 57 ALA MB 3.457 . 5.157 2.818 2.233 2.964 . 0 0 "[ . 1 . 2]" 1
1120 3 57 ALA HA 3 58 ASN H 3.220 . 4.420 2.834 2.156 3.572 . 0 0 "[ . 1 . 2]" 1
1121 3 57 ALA MB 3 58 ASN H 4.265 . 5.965 2.997 1.763 3.733 0.037 19 0 "[ . 1 . 2]" 1
1122 3 58 ASN H 3 58 ASN HB2 3.549 . 4.749 3.091 2.535 3.410 . 0 0 "[ . 1 . 2]" 1
1123 3 58 ASN H 3 58 ASN HB3 3.319 . 4.519 2.862 2.563 3.038 . 0 0 "[ . 1 . 2]" 1
1124 3 58 ASN HB3 3 59 ASN H 4.815 . 6.015 3.687 2.105 4.401 . 0 0 "[ . 1 . 2]" 1
1125 3 59 ASN H 3 59 ASN HB2 3.765 . 4.965 3.111 3.064 3.174 . 0 0 "[ . 1 . 2]" 1
1126 3 59 ASN H 3 59 ASN HB3 3.857 . 5.057 3.716 3.654 3.817 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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