NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448189 |
2npb   |
7324 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2npb
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 760
_Distance_constraint_stats_list.Viol_count 3945
_Distance_constraint_stats_list.Viol_total 7288.925
_Distance_constraint_stats_list.Viol_max 0.570
_Distance_constraint_stats_list.Viol_rms 0.0567
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0240
_Distance_constraint_stats_list.Viol_average_violations_only 0.0924
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.245 0.064 17 0 "[ . 1 . 2]"
1 3 LEU 8.261 0.209 4 0 "[ . 1 . 2]"
1 4 ALA 6.212 0.213 1 0 "[ . 1 . 2]"
1 5 VAL 9.560 0.259 15 0 "[ . 1 . 2]"
1 6 ARG 9.851 0.238 20 0 "[ . 1 . 2]"
1 7 VAL 2.556 0.169 13 0 "[ . 1 . 2]"
1 8 VAL 5.139 0.227 14 0 "[ . 1 . 2]"
1 9 TYR 6.947 0.272 11 0 "[ . 1 . 2]"
1 10 SER 4.989 0.197 13 0 "[ . 1 . 2]"
1 11 GLY 0.871 0.181 15 0 "[ . 1 . 2]"
1 12 ALA 1.227 0.121 6 0 "[ . 1 . 2]"
1 13 CYS 0.297 0.092 19 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TYR 1.878 0.119 5 0 "[ . 1 . 2]"
1 16 LYS 2.150 0.132 14 0 "[ . 1 . 2]"
1 17 PRO 0.347 0.063 2 0 "[ . 1 . 2]"
1 18 LYS 1.300 0.101 20 0 "[ . 1 . 2]"
1 19 TYR 3.212 0.292 2 0 "[ . 1 . 2]"
1 20 LEU 9.760 0.485 8 0 "[ . 1 . 2]"
1 21 GLN 7.467 0.273 5 0 "[ . 1 . 2]"
1 22 LEU 0.574 0.083 13 0 "[ . 1 . 2]"
1 23 LYS 7.989 0.350 7 0 "[ . 1 . 2]"
1 24 GLU 9.903 0.485 8 0 "[ . 1 . 2]"
1 25 LYS 5.317 0.183 19 0 "[ . 1 . 2]"
1 26 LEU 11.546 0.305 15 0 "[ . 1 . 2]"
1 27 GLU 22.589 0.305 15 0 "[ . 1 . 2]"
1 28 HIS 4.794 0.210 1 0 "[ . 1 . 2]"
1 29 GLU 11.125 0.352 12 0 "[ . 1 . 2]"
1 30 PHE 5.234 0.352 12 0 "[ . 1 . 2]"
1 31 PRO 2.800 0.172 7 0 "[ . 1 . 2]"
1 32 GLY 7.203 0.226 9 0 "[ . 1 . 2]"
1 33 CYS 6.453 0.197 7 0 "[ . 1 . 2]"
1 34 LEU 13.086 0.281 15 0 "[ . 1 . 2]"
1 35 ASP 19.579 0.426 20 0 "[ . 1 . 2]"
1 36 ILE 21.578 0.430 3 0 "[ . 1 . 2]"
1 37 CYS 14.289 0.430 3 0 "[ . 1 . 2]"
1 38 GLY 3.151 0.225 4 0 "[ . 1 . 2]"
1 39 GLU 6.061 0.395 12 0 "[ . 1 . 2]"
1 40 GLY 6.001 0.395 12 0 "[ . 1 . 2]"
1 47 PHE 0.519 0.177 2 0 "[ . 1 . 2]"
1 48 PHE 1.581 0.135 4 0 "[ . 1 . 2]"
1 49 GLU 12.825 0.446 2 0 "[ . 1 . 2]"
1 50 VAL 8.021 0.215 3 0 "[ . 1 . 2]"
1 51 THR 10.645 0.411 20 0 "[ . 1 . 2]"
1 52 VAL 6.278 0.159 15 0 "[ . 1 . 2]"
1 53 ALA 5.175 0.145 12 0 "[ . 1 . 2]"
1 54 GLY 1.966 0.139 13 0 "[ . 1 . 2]"
1 55 LYS 4.656 0.279 15 0 "[ . 1 . 2]"
1 56 LEU 6.238 0.248 18 0 "[ . 1 . 2]"
1 57 VAL 6.374 0.197 10 0 "[ . 1 . 2]"
1 58 HIS 12.940 0.257 14 0 "[ . 1 . 2]"
1 59 SER 9.821 0.264 14 0 "[ . 1 . 2]"
1 60 LYS 8.520 0.376 13 0 "[ . 1 . 2]"
1 61 LYS 2.066 0.177 2 0 "[ . 1 . 2]"
1 62 ARG 14.635 0.400 18 0 "[ . 1 . 2]"
1 63 GLY 10.558 0.417 13 0 "[ . 1 . 2]"
1 64 ASP 5.806 0.380 15 0 "[ . 1 . 2]"
1 65 GLY 10.213 0.417 13 0 "[ . 1 . 2]"
1 66 TYR 9.819 0.285 7 0 "[ . 1 . 2]"
1 67 VAL 9.928 0.440 9 0 "[ . 1 . 2]"
1 68 ASP 11.817 0.440 9 0 "[ . 1 . 2]"
1 69 THR 20.320 0.570 14 2 "[ . 1 - +. 2]"
1 70 GLU 8.946 0.362 4 0 "[ . 1 . 2]"
1 71 SER 11.186 0.362 4 0 "[ . 1 . 2]"
1 72 LYS 16.229 0.282 13 0 "[ . 1 . 2]"
1 73 PHE 3.355 0.218 9 0 "[ . 1 . 2]"
1 74 ARG 4.651 0.197 3 0 "[ . 1 . 2]"
1 75 LYS 8.067 0.308 3 0 "[ . 1 . 2]"
1 76 LEU 13.245 0.210 20 0 "[ . 1 . 2]"
1 77 VAL 10.247 0.209 5 0 "[ . 1 . 2]"
1 78 THR 9.584 0.254 1 0 "[ . 1 . 2]"
1 79 ALA 14.416 0.286 12 0 "[ . 1 . 2]"
1 80 ILE 10.133 0.254 1 0 "[ . 1 . 2]"
1 81 LYS 11.115 0.286 12 0 "[ . 1 . 2]"
1 82 ALA 8.052 0.217 19 0 "[ . 1 . 2]"
1 83 ALA 5.794 0.230 15 0 "[ . 1 . 2]"
1 84 LEU 14.650 0.266 4 0 "[ . 1 . 2]"
1 85 ALA 8.305 0.266 4 0 "[ . 1 . 2]"
1 86 GLN 8.846 0.240 20 0 "[ . 1 . 2]"
1 87 CYS 7.134 0.240 20 0 "[ . 1 . 2]"
1 88 GLN 5.529 0.189 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 LEU H . . 2.550 2.482 2.316 2.614 0.064 17 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 LEU H . . 4.130 2.394 2.070 2.852 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU H 1 3 LEU HB2 . . 2.770 2.523 2.169 2.858 0.088 11 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 3 LEU HB3 . . 2.930 2.928 2.794 3.139 0.209 4 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU MD1 . . 5.030 4.175 3.915 4.423 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 3 LEU MD2 . . 5.710 4.166 3.422 4.620 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU HG . . 5.500 4.674 4.500 4.834 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 4 ALA H . . 4.200 4.308 4.198 4.403 0.203 7 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 34 LEU HA . . 2.900 2.194 1.763 2.673 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 34 LEU MD2 . . 5.340 4.192 3.147 5.211 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 35 ASP H . . 3.520 3.481 2.944 3.642 0.122 9 0 "[ . 1 . 2]" 1
12 1 3 LEU HA 1 4 ALA H . . 2.400 2.163 1.995 2.424 0.024 17 0 "[ . 1 . 2]" 1
13 1 3 LEU HB2 1 35 ASP H . . 4.970 4.837 4.462 5.066 0.096 16 0 "[ . 1 . 2]" 1
14 1 3 LEU HB3 1 4 ALA H . . 3.950 3.640 2.875 4.068 0.118 12 0 "[ . 1 . 2]" 1
15 1 3 LEU HB3 1 35 ASP H . . 3.640 3.742 3.597 3.831 0.191 11 0 "[ . 1 . 2]" 1
16 1 3 LEU HB3 1 53 ALA H . . 5.500 5.512 5.266 5.645 0.145 12 0 "[ . 1 . 2]" 1
17 1 3 LEU MD1 1 4 ALA H . . 4.440 2.873 1.693 3.696 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU MD1 1 53 ALA H . . 4.410 3.825 2.624 4.467 0.057 18 0 "[ . 1 . 2]" 1
19 1 3 LEU MD2 1 4 ALA H . . 6.300 4.276 2.275 4.842 . 0 0 "[ . 1 . 2]" 1
20 1 4 ALA H 1 4 ALA MB . . 3.640 2.317 2.106 2.656 . 0 0 "[ . 1 . 2]" 1
21 1 4 ALA H 1 5 VAL H . . 4.450 4.424 4.191 4.521 0.071 9 0 "[ . 1 . 2]" 1
22 1 4 ALA H 1 35 ASP H . . 4.600 4.686 4.579 4.813 0.213 1 0 "[ . 1 . 2]" 1
23 1 4 ALA H 1 53 ALA H . . 3.760 3.679 3.202 3.863 0.103 15 0 "[ . 1 . 2]" 1
24 1 4 ALA H 1 53 ALA HA . . 4.010 4.032 3.631 4.134 0.124 7 0 "[ . 1 . 2]" 1
25 1 4 ALA H 1 53 ALA MB . . 4.130 3.445 2.791 3.861 . 0 0 "[ . 1 . 2]" 1
26 1 4 ALA HA 1 5 VAL H . . 2.860 2.234 2.101 2.343 . 0 0 "[ . 1 . 2]" 1
27 1 4 ALA MB 1 5 VAL H . . 4.350 3.407 2.894 3.687 . 0 0 "[ . 1 . 2]" 1
28 1 4 ALA MB 1 53 ALA H . . 5.250 3.418 3.028 4.318 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL H 1 5 VAL HB . . 2.960 2.739 2.651 2.855 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL H 1 5 VAL MG1 . . 4.630 3.960 3.894 4.049 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 6 ARG H . . 4.350 4.416 4.382 4.465 0.115 6 0 "[ . 1 . 2]" 1
32 1 5 VAL H 1 6 ARG QH1 . . 6.370 3.344 2.546 4.118 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL H 1 35 ASP H . . 4.540 3.697 3.279 4.101 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL H 1 35 ASP HB2 . . 4.630 4.646 4.423 4.797 0.167 5 0 "[ . 1 . 2]" 1
35 1 5 VAL H 1 36 ILE HA . . 3.210 2.785 2.537 3.003 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL H 1 37 CYS H . . 3.700 3.824 3.577 3.959 0.259 15 0 "[ . 1 . 2]" 1
37 1 5 VAL HA 1 6 ARG H . . 2.490 2.136 2.070 2.211 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL HA 1 53 ALA H . . 3.520 3.407 2.877 3.587 0.067 12 0 "[ . 1 . 2]" 1
39 1 5 VAL HB 1 6 ARG H . . 3.420 3.621 3.588 3.658 0.238 20 0 "[ . 1 . 2]" 1
40 1 5 VAL HB 1 37 CYS H . . 5.500 3.631 3.355 3.855 . 0 0 "[ . 1 . 2]" 1
41 1 6 ARG H 1 6 ARG HD2 . . 5.500 5.073 3.290 5.732 0.232 15 0 "[ . 1 . 2]" 1
42 1 6 ARG H 1 6 ARG HD3 . . 5.500 4.413 4.212 4.702 . 0 0 "[ . 1 . 2]" 1
43 1 6 ARG H 1 6 ARG HG2 . . 5.500 4.626 3.172 5.134 . 0 0 "[ . 1 . 2]" 1
44 1 6 ARG H 1 6 ARG HG3 . . 5.130 4.698 4.419 4.862 . 0 0 "[ . 1 . 2]" 1
45 1 6 ARG H 1 37 CYS H . . 4.600 4.592 4.463 4.697 0.097 20 0 "[ . 1 . 2]" 1
46 1 6 ARG H 1 50 VAL MG1 . . 5.960 4.024 3.657 4.995 . 0 0 "[ . 1 . 2]" 1
47 1 6 ARG H 1 51 THR H . . 3.240 3.044 2.934 3.258 0.018 13 0 "[ . 1 . 2]" 1
48 1 6 ARG H 1 51 THR HB . . 5.100 3.805 3.537 4.388 . 0 0 "[ . 1 . 2]" 1
49 1 6 ARG H 1 51 THR MG . . 4.910 4.893 4.602 5.013 0.103 18 0 "[ . 1 . 2]" 1
50 1 6 ARG H 1 52 VAL HA . . 4.380 3.647 3.497 3.940 . 0 0 "[ . 1 . 2]" 1
51 1 6 ARG HA 1 6 ARG HE . . 5.500 4.240 3.534 4.972 . 0 0 "[ . 1 . 2]" 1
52 1 6 ARG HA 1 7 VAL H . . 2.400 2.283 2.124 2.427 0.027 4 0 "[ . 1 . 2]" 1
53 1 6 ARG HA 1 37 CYS H . . 3.050 3.000 2.801 3.167 0.117 14 0 "[ . 1 . 2]" 1
54 1 6 ARG HB2 1 6 ARG HE . . 5.500 3.475 2.094 5.207 . 0 0 "[ . 1 . 2]" 1
55 1 6 ARG HB2 1 7 VAL H . . 4.420 4.047 3.664 4.337 . 0 0 "[ . 1 . 2]" 1
56 1 6 ARG HB2 1 51 THR H . . 5.500 4.061 3.322 4.611 . 0 0 "[ . 1 . 2]" 1
57 1 6 ARG HB3 1 6 ARG HE . . 5.500 4.185 3.627 4.937 . 0 0 "[ . 1 . 2]" 1
58 1 6 ARG HB3 1 7 VAL H . . 3.390 2.878 2.372 3.436 0.046 15 0 "[ . 1 . 2]" 1
59 1 6 ARG HB3 1 51 THR H . . 5.500 4.041 3.354 4.843 . 0 0 "[ . 1 . 2]" 1
60 1 6 ARG HD2 1 7 VAL H . . 4.850 4.520 3.593 4.984 0.134 11 0 "[ . 1 . 2]" 1
61 1 6 ARG HD2 1 37 CYS H . . 4.970 4.403 3.421 4.990 0.020 19 0 "[ . 1 . 2]" 1
62 1 6 ARG HG2 1 7 VAL H . . 4.790 4.330 3.969 4.878 0.088 12 0 "[ . 1 . 2]" 1
63 1 6 ARG HG3 1 7 VAL H . . 4.940 3.233 2.455 4.962 0.022 12 0 "[ . 1 . 2]" 1
64 1 6 ARG QH1 1 35 ASP HA . . 6.370 5.082 4.392 6.182 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG QH1 1 36 ILE HA . . 6.370 3.747 2.702 4.559 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG QH2 1 36 ILE HA . . 6.370 5.105 4.263 6.451 0.081 17 0 "[ . 1 . 2]" 1
67 1 6 ARG QH2 1 37 CYS H . . 5.560 4.551 3.929 5.231 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL H 1 7 VAL HB . . 3.330 2.956 2.672 3.159 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL H 1 7 VAL MG1 . . 4.380 3.997 3.909 4.061 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL H 1 8 VAL H . . 3.830 3.868 3.500 3.999 0.169 13 0 "[ . 1 . 2]" 1
71 1 7 VAL H 1 38 GLY HA2 . . 3.330 2.013 1.767 2.338 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL H 1 38 GLY HA3 . . 3.640 3.484 2.334 3.717 0.077 1 0 "[ . 1 . 2]" 1
73 1 7 VAL H 1 39 GLU H . . 4.140 3.456 2.821 3.877 . 0 0 "[ . 1 . 2]" 1
74 1 7 VAL HA 1 8 VAL H . . 2.400 2.210 2.043 2.321 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL HA 1 49 GLU H . . 4.480 4.322 4.043 4.514 0.034 6 0 "[ . 1 . 2]" 1
76 1 7 VAL HA 1 51 THR H . . 3.790 3.670 3.451 3.925 0.135 2 0 "[ . 1 . 2]" 1
77 1 7 VAL MG1 1 8 VAL H . . 6.520 3.188 2.889 3.603 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL MG2 1 8 VAL H . . 4.720 4.375 4.234 4.537 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL MG2 1 49 GLU H . . 6.300 5.642 5.349 6.128 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL H 1 8 VAL HB . . 3.110 2.757 2.439 2.971 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL H 1 9 TYR H . . 4.760 4.580 4.437 4.687 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL H 1 39 GLU H . . 4.940 4.608 4.017 4.949 0.009 9 0 "[ . 1 . 2]" 1
83 1 8 VAL H 1 49 GLU H . . 3.300 3.117 2.949 3.300 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL H 1 49 GLU HB2 . . 3.860 3.440 2.874 4.064 0.204 13 0 "[ . 1 . 2]" 1
85 1 8 VAL H 1 50 VAL HA . . 3.860 3.783 3.453 3.933 0.073 15 0 "[ . 1 . 2]" 1
86 1 8 VAL HA 1 9 TYR H . . 4.140 2.221 2.093 2.304 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL HA 1 39 GLU H . . 4.260 2.817 2.526 3.291 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL HA 1 49 GLU H . . 4.600 4.686 4.519 4.795 0.195 5 0 "[ . 1 . 2]" 1
89 1 8 VAL HB 1 9 TYR H . . 4.200 4.189 4.002 4.274 0.074 3 0 "[ . 1 . 2]" 1
90 1 8 VAL HB 1 49 GLU H . . 4.630 3.743 2.635 4.857 0.227 14 0 "[ . 1 . 2]" 1
91 1 8 VAL MG1 1 9 TYR H . . 5.620 3.263 2.500 4.212 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL MG1 1 39 GLU H . . 5.780 4.775 3.920 5.548 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL MG2 1 9 TYR H . . 4.690 3.559 2.430 4.424 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL MG2 1 49 GLU H . . 6.520 4.270 3.849 4.861 . 0 0 "[ . 1 . 2]" 1
95 1 9 TYR H 1 9 TYR HB3 . . 4.110 2.972 2.615 3.179 . 0 0 "[ . 1 . 2]" 1
96 1 9 TYR H 1 10 SER H . . 4.320 4.350 4.177 4.426 0.106 1 0 "[ . 1 . 2]" 1
97 1 9 TYR H 1 39 GLU H . . 3.950 3.834 3.319 4.059 0.109 4 0 "[ . 1 . 2]" 1
98 1 9 TYR H 1 40 GLY HA2 . . 3.700 2.684 1.791 3.126 . 0 0 "[ . 1 . 2]" 1
99 1 9 TYR H 1 40 GLY HA3 . . 4.200 4.215 2.873 4.472 0.272 11 0 "[ . 1 . 2]" 1
100 1 9 TYR HA 1 10 SER H . . 2.800 2.419 2.078 2.943 0.143 2 0 "[ . 1 . 2]" 1
101 1 9 TYR HA 1 49 GLU H . . 3.920 3.993 3.849 4.069 0.149 16 0 "[ . 1 . 2]" 1
102 1 9 TYR HB2 1 10 SER H . . 3.860 3.770 3.294 3.954 0.094 7 0 "[ . 1 . 2]" 1
103 1 9 TYR HB3 1 10 SER H . . 3.700 3.564 2.652 3.897 0.197 13 0 "[ . 1 . 2]" 1
104 1 9 TYR QD 1 10 SER H . . 7.630 2.460 1.732 2.909 . 0 0 "[ . 1 . 2]" 1
105 1 9 TYR QE 1 10 SER H . . 7.630 3.598 3.334 3.936 . 0 0 "[ . 1 . 2]" 1
106 1 10 SER H 1 10 SER HB2 . . 3.520 3.320 2.571 3.679 0.159 12 0 "[ . 1 . 2]" 1
107 1 10 SER H 1 10 SER HB3 . . 3.110 2.772 2.403 3.019 . 0 0 "[ . 1 . 2]" 1
108 1 10 SER H 1 11 GLY H . . 4.290 4.180 3.801 4.471 0.181 15 0 "[ . 1 . 2]" 1
109 1 10 SER H 1 48 PHE QD . . 6.330 4.789 4.356 5.181 . 0 0 "[ . 1 . 2]" 1
110 1 10 SER HA 1 11 GLY H . . 3.080 2.234 2.085 2.503 . 0 0 "[ . 1 . 2]" 1
111 1 10 SER HB2 1 12 ALA H . . 4.880 3.975 2.890 5.001 0.121 6 0 "[ . 1 . 2]" 1
112 1 11 GLY HA2 1 12 ALA H . . 3.300 2.953 2.648 3.304 0.004 4 0 "[ . 1 . 2]" 1
113 1 11 GLY HA3 1 12 ALA H . . 3.550 3.498 3.344 3.569 0.019 16 0 "[ . 1 . 2]" 1
114 1 12 ALA H 1 12 ALA HA . . 3.080 2.842 2.643 2.916 . 0 0 "[ . 1 . 2]" 1
115 1 12 ALA H 1 13 CYS H . . 3.520 3.198 2.657 3.612 0.092 19 0 "[ . 1 . 2]" 1
116 1 12 ALA H 1 48 PHE QD . . 7.630 7.569 6.913 7.726 0.096 5 0 "[ . 1 . 2]" 1
117 1 12 ALA HA 1 13 CYS H . . 4.320 3.118 2.441 3.611 . 0 0 "[ . 1 . 2]" 1
118 1 12 ALA MB 1 13 CYS H . . 6.520 3.273 2.484 3.721 . 0 0 "[ . 1 . 2]" 1
119 1 13 CYS HA 1 14 GLY H . . 3.110 2.491 2.197 2.717 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLY H 1 15 TYR H . . 4.110 3.297 2.911 3.818 . 0 0 "[ . 1 . 2]" 1
121 1 14 GLY HA2 1 15 TYR H . . 3.920 3.247 2.538 3.529 . 0 0 "[ . 1 . 2]" 1
122 1 14 GLY HA3 1 15 TYR H . . 4.940 3.257 2.820 3.591 . 0 0 "[ . 1 . 2]" 1
123 1 15 TYR H 1 15 TYR HB2 . . 3.520 3.423 2.311 3.565 0.045 11 0 "[ . 1 . 2]" 1
124 1 15 TYR H 1 15 TYR HB3 . . 4.170 2.310 2.160 2.656 . 0 0 "[ . 1 . 2]" 1
125 1 15 TYR H 1 16 LYS H . . 3.360 3.105 2.944 3.373 0.013 12 0 "[ . 1 . 2]" 1
126 1 15 TYR HA 1 16 LYS H . . 4.170 3.535 3.477 3.598 . 0 0 "[ . 1 . 2]" 1
127 1 15 TYR HA 1 18 LYS H . . 3.670 3.703 3.602 3.755 0.085 14 0 "[ . 1 . 2]" 1
128 1 15 TYR HB2 1 16 LYS H . . 3.860 3.866 3.678 3.979 0.119 5 0 "[ . 1 . 2]" 1
129 1 15 TYR HB3 1 16 LYS H . . 4.260 3.748 2.420 4.057 . 0 0 "[ . 1 . 2]" 1
130 1 15 TYR QD 1 16 LYS H . . 7.630 3.105 2.632 3.950 . 0 0 "[ . 1 . 2]" 1
131 1 15 TYR QD 1 18 LYS H . . 7.630 5.720 4.912 6.017 . 0 0 "[ . 1 . 2]" 1
132 1 15 TYR QD 1 39 GLU H . . 7.630 6.865 6.123 7.707 0.077 10 0 "[ . 1 . 2]" 1
133 1 15 TYR QE 1 38 GLY H . . 7.630 6.954 5.717 7.651 0.021 12 0 "[ . 1 . 2]" 1
134 1 15 TYR QE 1 39 GLU H . . 7.390 6.577 4.063 7.336 . 0 0 "[ . 1 . 2]" 1
135 1 16 LYS H 1 16 LYS HB2 . . 3.640 2.458 2.155 2.722 . 0 0 "[ . 1 . 2]" 1
136 1 16 LYS H 1 16 LYS HE2 . . 5.500 5.089 3.024 5.615 0.115 1 0 "[ . 1 . 2]" 1
137 1 16 LYS H 1 16 LYS HG2 . . 5.500 3.284 2.281 4.604 . 0 0 "[ . 1 . 2]" 1
138 1 16 LYS H 1 16 LYS HG3 . . 5.500 3.156 1.980 4.436 . 0 0 "[ . 1 . 2]" 1
139 1 16 LYS H 1 16 LYS QZ . . 6.480 5.464 4.536 6.019 . 0 0 "[ . 1 . 2]" 1
140 1 16 LYS H 1 17 PRO HD3 . . 5.500 3.955 3.789 4.079 . 0 0 "[ . 1 . 2]" 1
141 1 16 LYS H 1 17 PRO HG3 . . 5.500 5.490 5.413 5.541 0.041 14 0 "[ . 1 . 2]" 1
142 1 16 LYS H 1 18 LYS H . . 5.310 4.411 4.165 4.616 . 0 0 "[ . 1 . 2]" 1
143 1 16 LYS HA 1 19 TYR H . . 3.640 3.689 3.578 3.772 0.132 14 0 "[ . 1 . 2]" 1
144 1 16 LYS HA 1 20 LEU H . . 4.350 3.895 3.688 4.045 . 0 0 "[ . 1 . 2]" 1
145 1 17 PRO HA 1 18 LYS H . . 5.440 3.619 3.572 3.691 . 0 0 "[ . 1 . 2]" 1
146 1 17 PRO HA 1 20 LEU H . . 3.390 3.297 3.130 3.453 0.063 2 0 "[ . 1 . 2]" 1
147 1 17 PRO HA 1 21 GLN H . . 4.290 3.742 3.391 3.969 . 0 0 "[ . 1 . 2]" 1
148 1 17 PRO HB2 1 18 LYS H . . 4.230 3.475 3.302 3.616 . 0 0 "[ . 1 . 2]" 1
149 1 17 PRO HB3 1 18 LYS H . . 5.250 4.297 4.201 4.380 . 0 0 "[ . 1 . 2]" 1
150 1 17 PRO HD2 1 18 LYS H . . 5.500 3.013 2.838 3.289 . 0 0 "[ . 1 . 2]" 1
151 1 17 PRO HD3 1 18 LYS H . . 4.320 4.102 3.964 4.309 . 0 0 "[ . 1 . 2]" 1
152 1 17 PRO HG2 1 18 LYS H . . 5.160 2.477 2.294 2.584 . 0 0 "[ . 1 . 2]" 1
153 1 17 PRO HG2 1 19 TYR H . . 5.500 5.043 4.845 5.241 . 0 0 "[ . 1 . 2]" 1
154 1 18 LYS H 1 18 LYS HB2 . . 2.990 2.404 2.142 2.874 . 0 0 "[ . 1 . 2]" 1
155 1 18 LYS H 1 18 LYS HB3 . . 4.230 2.969 2.074 3.661 . 0 0 "[ . 1 . 2]" 1
156 1 18 LYS H 1 18 LYS QD . . 5.820 4.372 3.634 4.698 . 0 0 "[ . 1 . 2]" 1
157 1 18 LYS H 1 18 LYS QE . . 6.380 5.551 4.306 6.284 . 0 0 "[ . 1 . 2]" 1
158 1 18 LYS H 1 18 LYS QG . . 4.900 3.586 2.327 4.103 . 0 0 "[ . 1 . 2]" 1
159 1 18 LYS H 1 19 TYR H . . 2.860 2.657 2.430 2.826 . 0 0 "[ . 1 . 2]" 1
160 1 18 LYS H 1 20 LEU H . . 4.350 4.288 4.022 4.398 0.048 15 0 "[ . 1 . 2]" 1
161 1 18 LYS HA 1 19 TYR H . . 3.950 3.522 3.468 3.578 . 0 0 "[ . 1 . 2]" 1
162 1 18 LYS HA 1 21 GLN H . . 4.010 3.633 3.028 4.042 0.032 13 0 "[ . 1 . 2]" 1
163 1 18 LYS HB2 1 19 TYR H . . 3.890 3.521 2.556 3.991 0.101 20 0 "[ . 1 . 2]" 1
164 1 18 LYS HB3 1 19 TYR H . . 4.200 2.983 2.481 3.858 . 0 0 "[ . 1 . 2]" 1
165 1 18 LYS QD 1 19 TYR H . . 6.380 4.542 3.839 5.625 . 0 0 "[ . 1 . 2]" 1
166 1 18 LYS QG 1 19 TYR H . . 6.380 4.130 2.878 4.669 . 0 0 "[ . 1 . 2]" 1
167 1 19 TYR H 1 19 TYR HB2 . . 3.210 2.223 2.104 2.579 . 0 0 "[ . 1 . 2]" 1
168 1 19 TYR H 1 19 TYR HB3 . . 3.420 3.205 2.274 3.478 0.058 6 0 "[ . 1 . 2]" 1
169 1 19 TYR H 1 20 LEU H . . 3.210 2.807 2.669 2.902 . 0 0 "[ . 1 . 2]" 1
170 1 19 TYR HA 1 20 LEU H . . 4.070 3.596 3.540 3.628 . 0 0 "[ . 1 . 2]" 1
171 1 19 TYR HA 1 22 LEU H . . 3.950 3.929 3.781 4.033 0.083 13 0 "[ . 1 . 2]" 1
172 1 19 TYR HA 1 23 LYS H . . 4.380 4.196 3.993 4.420 0.040 20 0 "[ . 1 . 2]" 1
173 1 19 TYR HB2 1 20 LEU H . . 3.360 2.846 2.478 3.652 0.292 2 0 "[ . 1 . 2]" 1
174 1 19 TYR HB3 1 20 LEU H . . 3.920 2.673 2.106 3.096 . 0 0 "[ . 1 . 2]" 1
175 1 19 TYR QD 1 20 LEU H . . 7.040 4.117 2.851 4.553 . 0 0 "[ . 1 . 2]" 1
176 1 19 TYR QE 1 38 GLY H . . 7.630 4.391 3.833 4.865 . 0 0 "[ . 1 . 2]" 1
177 1 20 LEU H 1 20 LEU HB2 . . 3.020 2.350 2.177 2.617 . 0 0 "[ . 1 . 2]" 1
178 1 20 LEU H 1 20 LEU HB3 . . 3.550 3.573 3.494 3.612 0.062 16 0 "[ . 1 . 2]" 1
179 1 20 LEU H 1 20 LEU MD2 . . 5.710 3.743 2.530 4.304 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU H 1 20 LEU HG . . 3.920 2.971 2.338 4.057 0.137 2 0 "[ . 1 . 2]" 1
181 1 20 LEU H 1 21 GLN H . . 3.020 2.985 2.886 3.075 0.055 2 0 "[ . 1 . 2]" 1
182 1 20 LEU H 1 22 LEU H . . 4.940 4.525 4.317 4.709 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU HA 1 21 GLN H . . 3.860 3.613 3.561 3.653 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 23 LYS H . . 3.640 3.139 2.845 3.381 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HA 1 24 GLU H . . 4.170 2.894 2.358 3.287 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU HB2 1 21 GLN H . . 3.050 2.769 2.515 3.076 0.026 15 0 "[ . 1 . 2]" 1
187 1 20 LEU HB2 1 24 GLU H . . 4.760 5.090 4.870 5.245 0.485 8 0 "[ . 1 . 2]" 1
188 1 20 LEU HB3 1 21 GLN H . . 3.420 3.431 3.208 3.526 0.106 9 0 "[ . 1 . 2]" 1
189 1 20 LEU MD1 1 21 GLN H . . 6.520 4.559 4.464 4.721 . 0 0 "[ . 1 . 2]" 1
190 1 20 LEU MD2 1 21 GLN H . . 6.520 4.836 4.556 4.947 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU MD2 1 24 GLU H . . 6.520 4.242 2.983 5.053 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLN H 1 21 GLN HB2 . . 2.860 2.244 2.080 2.664 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLN H 1 21 GLN HB3 . . 3.170 2.795 2.158 3.443 0.273 5 0 "[ . 1 . 2]" 1
194 1 21 GLN H 1 21 GLN HG2 . . 4.040 4.036 2.582 4.282 0.242 10 0 "[ . 1 . 2]" 1
195 1 21 GLN H 1 21 GLN HG3 . . 4.690 4.380 3.777 4.526 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLN H 1 22 LEU H . . 2.960 2.797 2.706 2.962 0.002 9 0 "[ . 1 . 2]" 1
197 1 21 GLN H 1 23 LYS H . . 3.890 4.062 4.010 4.140 0.250 4 0 "[ . 1 . 2]" 1
198 1 21 GLN HA 1 22 LEU H . . 3.580 3.522 3.397 3.586 0.006 6 0 "[ . 1 . 2]" 1
199 1 21 GLN HA 1 24 GLU H . . 4.510 4.124 3.751 4.364 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLN HA 1 25 LYS H . . 4.600 4.364 3.924 4.714 0.114 18 0 "[ . 1 . 2]" 1
201 1 21 GLN HB2 1 22 LEU H . . 4.110 3.796 3.301 4.129 0.019 7 0 "[ . 1 . 2]" 1
202 1 21 GLN HB3 1 22 LEU H . . 4.200 2.969 2.432 3.898 . 0 0 "[ . 1 . 2]" 1
203 1 22 LEU H 1 22 LEU HA . . 3.050 2.937 2.871 2.985 . 0 0 "[ . 1 . 2]" 1
204 1 22 LEU H 1 22 LEU HB2 . . 2.770 2.636 2.270 2.778 0.008 20 0 "[ . 1 . 2]" 1
205 1 22 LEU H 1 22 LEU HB3 . . 2.740 2.479 2.324 2.639 . 0 0 "[ . 1 . 2]" 1
206 1 22 LEU H 1 22 LEU MD1 . . 5.340 4.274 4.093 4.429 . 0 0 "[ . 1 . 2]" 1
207 1 22 LEU H 1 22 LEU MD2 . . 5.500 4.239 3.950 4.352 . 0 0 "[ . 1 . 2]" 1
208 1 22 LEU H 1 22 LEU HG . . 4.570 4.483 4.388 4.581 0.011 1 0 "[ . 1 . 2]" 1
209 1 22 LEU H 1 23 LYS H . . 2.800 2.465 2.130 2.781 . 0 0 "[ . 1 . 2]" 1
210 1 22 LEU HA 1 23 LYS H . . 3.670 3.589 3.511 3.654 . 0 0 "[ . 1 . 2]" 1
211 1 22 LEU HA 1 25 LYS H . . 4.110 3.987 3.792 4.153 0.043 5 0 "[ . 1 . 2]" 1
212 1 22 LEU HB2 1 23 LYS H . . 4.140 3.897 3.758 4.087 . 0 0 "[ . 1 . 2]" 1
213 1 22 LEU HB3 1 23 LYS H . . 3.050 2.619 2.460 2.827 . 0 0 "[ . 1 . 2]" 1
214 1 23 LYS H 1 23 LYS HA . . 2.960 2.874 2.836 2.920 . 0 0 "[ . 1 . 2]" 1
215 1 23 LYS H 1 23 LYS HB2 . . 3.170 2.173 2.037 2.339 . 0 0 "[ . 1 . 2]" 1
216 1 23 LYS H 1 23 LYS HB3 . . 3.020 3.142 2.796 3.370 0.350 7 0 "[ . 1 . 2]" 1
217 1 23 LYS H 1 23 LYS HG2 . . 4.940 3.951 3.000 4.327 . 0 0 "[ . 1 . 2]" 1
218 1 23 LYS H 1 23 LYS HG3 . . 5.500 3.898 2.883 4.482 . 0 0 "[ . 1 . 2]" 1
219 1 23 LYS H 1 24 GLU H . . 2.960 2.782 2.701 2.918 . 0 0 "[ . 1 . 2]" 1
220 1 23 LYS H 1 25 LYS H . . 4.690 4.135 3.752 4.310 . 0 0 "[ . 1 . 2]" 1
221 1 23 LYS HA 1 24 GLU H . . 3.610 3.526 3.500 3.561 . 0 0 "[ . 1 . 2]" 1
222 1 23 LYS HA 1 26 LEU H . . 3.860 3.569 3.365 3.756 . 0 0 "[ . 1 . 2]" 1
223 1 23 LYS HA 1 27 GLU H . . 4.040 3.884 3.657 4.070 0.030 10 0 "[ . 1 . 2]" 1
224 1 23 LYS HB2 1 24 GLU H . . 3.390 2.999 2.294 3.417 0.027 10 0 "[ . 1 . 2]" 1
225 1 23 LYS HB3 1 24 GLU H . . 3.700 2.431 2.187 2.827 . 0 0 "[ . 1 . 2]" 1
226 1 23 LYS QD 1 24 GLU H . . 6.010 4.251 3.393 4.921 . 0 0 "[ . 1 . 2]" 1
227 1 23 LYS HG2 1 24 GLU H . . 4.540 4.620 4.514 4.741 0.201 7 0 "[ . 1 . 2]" 1
228 1 23 LYS HG3 1 24 GLU H . . 5.220 4.785 4.505 5.021 . 0 0 "[ . 1 . 2]" 1
229 1 24 GLU H 1 24 GLU HB2 . . 3.300 2.313 2.060 2.462 . 0 0 "[ . 1 . 2]" 1
230 1 24 GLU H 1 24 GLU HB3 . . 3.270 2.662 2.374 3.386 0.116 18 0 "[ . 1 . 2]" 1
231 1 24 GLU H 1 24 GLU HG2 . . 4.480 4.423 4.047 4.507 0.027 9 0 "[ . 1 . 2]" 1
232 1 24 GLU H 1 24 GLU HG3 . . 4.660 4.425 4.005 4.547 . 0 0 "[ . 1 . 2]" 1
233 1 24 GLU H 1 25 LYS H . . 3.050 2.976 2.756 3.087 0.037 8 0 "[ . 1 . 2]" 1
234 1 24 GLU H 1 26 LEU H . . 4.540 4.529 4.418 4.648 0.108 18 0 "[ . 1 . 2]" 1
235 1 24 GLU HA 1 25 LYS H . . 4.350 3.533 3.231 3.607 . 0 0 "[ . 1 . 2]" 1
236 1 24 GLU HA 1 27 GLU H . . 3.950 3.964 3.780 4.070 0.120 7 0 "[ . 1 . 2]" 1
237 1 25 LYS H 1 25 LYS HB2 . . 2.960 2.144 2.015 2.387 . 0 0 "[ . 1 . 2]" 1
238 1 25 LYS H 1 25 LYS HB3 . . 3.240 3.175 2.989 3.311 0.071 18 0 "[ . 1 . 2]" 1
239 1 25 LYS H 1 25 LYS HD2 . . 5.500 4.970 4.073 5.461 . 0 0 "[ . 1 . 2]" 1
240 1 25 LYS H 1 25 LYS HD3 . . 5.500 4.294 3.777 5.343 . 0 0 "[ . 1 . 2]" 1
241 1 25 LYS H 1 25 LYS HE2 . . 3.330 2.814 2.280 3.423 0.093 3 0 "[ . 1 . 2]" 1
242 1 25 LYS H 1 25 LYS HE3 . . 4.260 3.820 2.457 4.340 0.080 2 0 "[ . 1 . 2]" 1
243 1 25 LYS H 1 25 LYS HG2 . . 4.570 4.484 4.231 4.667 0.097 1 0 "[ . 1 . 2]" 1
244 1 25 LYS H 1 25 LYS HG3 . . 4.630 4.449 4.260 4.641 0.011 18 0 "[ . 1 . 2]" 1
245 1 25 LYS H 1 26 LEU H . . 2.860 2.650 2.256 2.784 . 0 0 "[ . 1 . 2]" 1
246 1 25 LYS H 1 27 GLU H . . 4.350 4.312 3.795 4.462 0.112 2 0 "[ . 1 . 2]" 1
247 1 25 LYS HA 1 26 LEU H . . 3.480 3.489 3.364 3.537 0.057 1 0 "[ . 1 . 2]" 1
248 1 25 LYS HA 1 28 HIS H . . 3.520 3.496 3.243 3.645 0.125 7 0 "[ . 1 . 2]" 1
249 1 25 LYS HA 1 29 GLU H . . 4.140 4.066 3.820 4.237 0.097 19 0 "[ . 1 . 2]" 1
250 1 25 LYS HB2 1 26 LEU H . . 3.790 3.237 2.912 3.735 . 0 0 "[ . 1 . 2]" 1
251 1 25 LYS HB3 1 26 LEU H . . 3.760 2.727 2.479 3.166 . 0 0 "[ . 1 . 2]" 1
252 1 25 LYS HG2 1 26 LEU H . . 5.500 4.998 4.782 5.395 . 0 0 "[ . 1 . 2]" 1
253 1 25 LYS HG3 1 26 LEU H . . 4.540 4.638 4.516 4.723 0.183 19 0 "[ . 1 . 2]" 1
254 1 26 LEU H 1 26 LEU HA . . 3.080 2.860 2.803 2.941 . 0 0 "[ . 1 . 2]" 1
255 1 26 LEU H 1 26 LEU HB2 . . 2.990 2.025 1.950 2.268 . 0 0 "[ . 1 . 2]" 1
256 1 26 LEU H 1 26 LEU HB3 . . 3.140 3.193 2.899 3.356 0.216 9 0 "[ . 1 . 2]" 1
257 1 26 LEU H 1 26 LEU MD1 . . 5.400 3.366 2.486 4.208 . 0 0 "[ . 1 . 2]" 1
258 1 26 LEU H 1 26 LEU HG . . 4.350 4.137 3.630 4.511 0.161 19 0 "[ . 1 . 2]" 1
259 1 26 LEU H 1 27 GLU H . . 2.770 2.737 2.366 2.913 0.143 18 0 "[ . 1 . 2]" 1
260 1 26 LEU H 1 28 HIS H . . 4.110 3.969 3.526 4.120 0.010 5 0 "[ . 1 . 2]" 1
261 1 26 LEU H 1 30 PHE QE . . 7.630 6.010 5.246 6.693 . 0 0 "[ . 1 . 2]" 1
262 1 26 LEU HA 1 27 GLU H . . 3.450 3.531 3.484 3.566 0.116 4 0 "[ . 1 . 2]" 1
263 1 26 LEU HA 1 29 GLU H . . 3.760 3.425 3.222 3.638 . 0 0 "[ . 1 . 2]" 1
264 1 26 LEU HA 1 30 PHE H . . 4.320 4.146 3.924 4.332 0.012 8 0 "[ . 1 . 2]" 1
265 1 26 LEU HB2 1 27 GLU H . . 3.300 2.934 2.561 3.417 0.117 1 0 "[ . 1 . 2]" 1
266 1 26 LEU MD1 1 27 GLU H . . 6.520 4.532 4.320 4.757 . 0 0 "[ . 1 . 2]" 1
267 1 26 LEU MD1 1 29 GLU H . . 6.520 5.033 4.699 5.396 . 0 0 "[ . 1 . 2]" 1
268 1 26 LEU MD2 1 27 GLU H . . 6.520 4.466 4.327 4.688 . 0 0 "[ . 1 . 2]" 1
269 1 26 LEU HG 1 27 GLU H . . 4.450 4.635 4.448 4.755 0.305 15 0 "[ . 1 . 2]" 1
270 1 27 GLU H 1 27 GLU HB2 . . 3.330 2.069 2.004 2.123 . 0 0 "[ . 1 . 2]" 1
271 1 27 GLU H 1 27 GLU HB3 . . 3.270 3.390 3.308 3.441 0.171 3 0 "[ . 1 . 2]" 1
272 1 27 GLU H 1 27 GLU HG2 . . 4.070 4.208 4.117 4.312 0.242 18 0 "[ . 1 . 2]" 1
273 1 27 GLU H 1 27 GLU HG3 . . 3.730 3.167 2.928 3.470 . 0 0 "[ . 1 . 2]" 1
274 1 27 GLU H 1 28 HIS H . . 2.930 2.872 2.711 2.954 0.024 12 0 "[ . 1 . 2]" 1
275 1 27 GLU H 1 29 GLU H . . 4.070 4.201 4.145 4.276 0.206 13 0 "[ . 1 . 2]" 1
276 1 27 GLU H 1 36 ILE HB . . 5.280 5.454 5.360 5.524 0.244 2 0 "[ . 1 . 2]" 1
277 1 27 GLU H 1 36 ILE MD . . 4.820 2.766 2.448 3.330 . 0 0 "[ . 1 . 2]" 1
278 1 27 GLU HA 1 30 PHE H . . 3.300 3.336 3.041 3.479 0.179 12 0 "[ . 1 . 2]" 1
279 1 27 GLU HB2 1 28 HIS H . . 3.140 3.156 2.839 3.275 0.135 11 0 "[ . 1 . 2]" 1
280 1 27 GLU HB3 1 28 HIS H . . 3.360 3.288 3.043 3.481 0.121 7 0 "[ . 1 . 2]" 1
281 1 27 GLU HG3 1 34 LEU H . . 5.500 5.506 5.252 5.652 0.152 12 0 "[ . 1 . 2]" 1
282 1 28 HIS H 1 28 HIS HA . . 2.830 2.869 2.835 2.905 0.075 18 0 "[ . 1 . 2]" 1
283 1 28 HIS H 1 28 HIS HB2 . . 2.900 2.614 2.513 2.927 0.027 1 0 "[ . 1 . 2]" 1
284 1 28 HIS H 1 28 HIS HB3 . . 2.990 2.392 2.118 2.558 . 0 0 "[ . 1 . 2]" 1
285 1 28 HIS H 1 28 HIS HD1 . . 5.470 4.902 4.264 5.115 . 0 0 "[ . 1 . 2]" 1
286 1 28 HIS H 1 29 GLU H . . 3.270 2.671 2.497 2.762 . 0 0 "[ . 1 . 2]" 1
287 1 28 HIS HA 1 29 GLU H . . 3.640 3.551 3.501 3.590 . 0 0 "[ . 1 . 2]" 1
288 1 28 HIS HB2 1 29 GLU H . . 3.830 3.928 3.790 4.040 0.210 1 0 "[ . 1 . 2]" 1
289 1 28 HIS HB3 1 29 GLU H . . 4.040 2.625 2.371 2.833 . 0 0 "[ . 1 . 2]" 1
290 1 28 HIS HD1 1 29 GLU H . . 4.660 4.250 2.958 4.684 0.024 16 0 "[ . 1 . 2]" 1
291 1 29 GLU H 1 29 GLU HA . . 3.020 2.856 2.821 2.915 . 0 0 "[ . 1 . 2]" 1
292 1 29 GLU H 1 29 GLU HB2 . . 2.650 2.075 2.001 2.160 . 0 0 "[ . 1 . 2]" 1
293 1 29 GLU H 1 29 GLU HB3 . . 3.140 3.244 2.826 3.411 0.271 1 0 "[ . 1 . 2]" 1
294 1 29 GLU H 1 30 PHE H . . 2.620 2.633 2.559 2.696 0.076 8 0 "[ . 1 . 2]" 1
295 1 29 GLU HA 1 30 PHE H . . 3.520 3.503 3.423 3.546 0.026 17 0 "[ . 1 . 2]" 1
296 1 29 GLU HB2 1 30 PHE H . . 3.050 2.991 2.530 3.402 0.352 12 0 "[ . 1 . 2]" 1
297 1 29 GLU HB3 1 30 PHE H . . 3.050 2.937 2.374 3.198 0.148 10 0 "[ . 1 . 2]" 1
298 1 30 PHE H 1 30 PHE HA . . 3.080 2.991 2.944 3.008 . 0 0 "[ . 1 . 2]" 1
299 1 30 PHE H 1 30 PHE HB2 . . 3.790 3.001 2.592 3.860 0.070 8 0 "[ . 1 . 2]" 1
300 1 30 PHE H 1 30 PHE HB3 . . 3.730 3.741 3.507 3.810 0.080 8 0 "[ . 1 . 2]" 1
301 1 30 PHE H 1 31 PRO HA . . 4.380 4.364 4.257 4.448 0.068 11 0 "[ . 1 . 2]" 1
302 1 30 PHE H 1 31 PRO HD3 . . 3.270 3.070 2.932 3.274 0.004 8 0 "[ . 1 . 2]" 1
303 1 31 PRO HA 1 32 GLY H . . 2.400 2.068 1.921 2.181 . 0 0 "[ . 1 . 2]" 1
304 1 31 PRO HB2 1 32 GLY H . . 3.360 3.413 3.272 3.532 0.172 7 0 "[ . 1 . 2]" 1
305 1 31 PRO HB3 1 32 GLY H . . 3.730 3.798 3.717 3.844 0.114 7 0 "[ . 1 . 2]" 1
306 1 32 GLY H 1 32 GLY HA2 . . 2.740 2.312 2.269 2.358 . 0 0 "[ . 1 . 2]" 1
307 1 32 GLY H 1 32 GLY HA3 . . 3.140 2.838 2.786 2.878 . 0 0 "[ . 1 . 2]" 1
308 1 32 GLY H 1 33 CYS H . . 3.300 3.231 3.119 3.343 0.043 12 0 "[ . 1 . 2]" 1
309 1 32 GLY HA2 1 33 CYS H . . 3.420 3.466 3.315 3.546 0.126 20 0 "[ . 1 . 2]" 1
310 1 32 GLY HA3 1 33 CYS H . . 3.390 3.145 2.939 3.424 0.034 13 0 "[ . 1 . 2]" 1
311 1 32 GLY HA3 1 34 LEU H . . 3.980 4.155 4.099 4.206 0.226 9 0 "[ . 1 . 2]" 1
312 1 33 CYS H 1 33 CYS HA . . 2.770 2.877 2.846 2.913 0.143 8 0 "[ . 1 . 2]" 1
313 1 33 CYS H 1 33 CYS HB2 . . 2.550 2.622 2.485 2.747 0.197 7 0 "[ . 1 . 2]" 1
314 1 33 CYS H 1 34 LEU H . . 2.520 2.463 2.231 2.572 0.052 11 0 "[ . 1 . 2]" 1
315 1 33 CYS HA 1 34 LEU H . . 3.330 3.402 3.369 3.457 0.127 2 0 "[ . 1 . 2]" 1
316 1 33 CYS HB2 1 34 LEU H . . 3.760 3.283 2.987 3.412 . 0 0 "[ . 1 . 2]" 1
317 1 34 LEU H 1 34 LEU HA . . 3.140 2.955 2.925 2.987 . 0 0 "[ . 1 . 2]" 1
318 1 34 LEU H 1 34 LEU HB2 . . 2.860 2.545 2.315 2.658 . 0 0 "[ . 1 . 2]" 1
319 1 34 LEU H 1 34 LEU HB3 . . 3.390 3.452 3.312 3.598 0.208 17 0 "[ . 1 . 2]" 1
320 1 34 LEU H 1 34 LEU MD1 . . 4.810 3.873 3.293 4.465 . 0 0 "[ . 1 . 2]" 1
321 1 34 LEU H 1 34 LEU MD2 . . 5.090 4.409 3.080 4.759 . 0 0 "[ . 1 . 2]" 1
322 1 34 LEU H 1 34 LEU HG . . 4.200 4.294 4.064 4.481 0.281 15 0 "[ . 1 . 2]" 1
323 1 34 LEU H 1 35 ASP H . . 4.690 4.313 4.220 4.390 . 0 0 "[ . 1 . 2]" 1
324 1 34 LEU HA 1 35 ASP H . . 2.520 2.092 1.982 2.223 . 0 0 "[ . 1 . 2]" 1
325 1 34 LEU HB2 1 35 ASP H . . 4.140 4.042 3.940 4.096 . 0 0 "[ . 1 . 2]" 1
326 1 34 LEU HB3 1 35 ASP H . . 2.680 2.823 2.643 2.916 0.236 2 0 "[ . 1 . 2]" 1
327 1 34 LEU MD1 1 35 ASP H . . 4.440 4.045 2.739 4.631 0.191 17 0 "[ . 1 . 2]" 1
328 1 34 LEU MD2 1 35 ASP H . . 4.910 3.235 2.027 4.080 . 0 0 "[ . 1 . 2]" 1
329 1 35 ASP H 1 35 ASP HB2 . . 2.990 3.161 3.081 3.234 0.244 9 0 "[ . 1 . 2]" 1
330 1 35 ASP H 1 35 ASP HB3 . . 3.300 2.301 2.158 2.615 . 0 0 "[ . 1 . 2]" 1
331 1 35 ASP HA 1 36 ILE H . . 2.830 2.140 2.063 2.293 . 0 0 "[ . 1 . 2]" 1
332 1 35 ASP HB2 1 36 ILE H . . 4.170 3.943 3.687 4.097 . 0 0 "[ . 1 . 2]" 1
333 1 35 ASP HB3 1 36 ILE H . . 3.670 4.007 3.803 4.096 0.426 20 0 "[ . 1 . 2]" 1
334 1 36 ILE H 1 36 ILE HA . . 2.860 2.888 2.860 2.922 0.062 8 0 "[ . 1 . 2]" 1
335 1 36 ILE H 1 36 ILE HB . . 2.800 3.023 2.958 3.077 0.277 4 0 "[ . 1 . 2]" 1
336 1 36 ILE H 1 36 ILE MG . . 4.690 4.056 4.008 4.086 . 0 0 "[ . 1 . 2]" 1
337 1 36 ILE H 1 37 CYS H . . 4.820 3.799 3.562 4.003 . 0 0 "[ . 1 . 2]" 1
338 1 36 ILE HA 1 37 CYS H . . 2.590 1.947 1.848 2.036 . 0 0 "[ . 1 . 2]" 1
339 1 36 ILE HB 1 37 CYS H . . 3.550 3.861 3.643 3.980 0.430 3 0 "[ . 1 . 2]" 1
340 1 36 ILE QG 1 37 CYS H . . 6.040 4.377 4.205 4.519 . 0 0 "[ . 1 . 2]" 1
341 1 36 ILE MG 1 37 CYS H . . 4.160 2.702 2.408 2.942 . 0 0 "[ . 1 . 2]" 1
342 1 37 CYS H 1 37 CYS HA . . 2.960 3.008 2.977 3.026 0.066 11 0 "[ . 1 . 2]" 1
343 1 37 CYS H 1 37 CYS HB2 . . 3.480 2.629 2.278 3.249 . 0 0 "[ . 1 . 2]" 1
344 1 37 CYS H 1 37 CYS HB3 . . 3.700 3.665 3.128 3.897 0.197 20 0 "[ . 1 . 2]" 1
345 1 37 CYS H 1 38 GLY H . . 5.160 4.472 4.325 4.549 . 0 0 "[ . 1 . 2]" 1
346 1 37 CYS HA 1 38 GLY H . . 2.430 2.534 2.454 2.655 0.225 4 0 "[ . 1 . 2]" 1
347 1 37 CYS HB2 1 38 GLY H . . 3.700 3.558 3.043 3.748 0.048 1 0 "[ . 1 . 2]" 1
348 1 38 GLY H 1 38 GLY HA2 . . 3.140 2.920 2.793 2.977 . 0 0 "[ . 1 . 2]" 1
349 1 38 GLY H 1 38 GLY HA3 . . 2.830 2.698 2.574 2.851 0.021 17 0 "[ . 1 . 2]" 1
350 1 38 GLY H 1 39 GLU H . . 4.380 4.359 4.094 4.460 0.080 20 0 "[ . 1 . 2]" 1
351 1 38 GLY HA2 1 39 GLU H . . 2.650 2.332 2.117 2.652 0.002 8 0 "[ . 1 . 2]" 1
352 1 38 GLY HA3 1 39 GLU H . . 2.990 2.791 2.566 3.016 0.026 16 0 "[ . 1 . 2]" 1
353 1 39 GLU H 1 39 GLU HB2 . . 3.830 2.784 2.375 3.559 . 0 0 "[ . 1 . 2]" 1
354 1 39 GLU H 1 39 GLU HB3 . . 3.580 3.288 2.561 3.709 0.129 16 0 "[ . 1 . 2]" 1
355 1 39 GLU H 1 40 GLY H . . 3.670 3.537 2.873 4.065 0.395 12 0 "[ . 1 . 2]" 1
356 1 39 GLU HA 1 40 GLY H . . 2.460 2.220 1.985 2.534 0.074 4 0 "[ . 1 . 2]" 1
357 1 39 GLU HB2 1 40 GLY H . . 4.170 4.247 3.588 4.387 0.217 17 0 "[ . 1 . 2]" 1
358 1 39 GLU HB3 1 40 GLY H . . 4.480 4.120 2.758 4.452 . 0 0 "[ . 1 . 2]" 1
359 1 40 GLY H 1 40 GLY HA2 . . 3.050 2.915 2.818 2.997 . 0 0 "[ . 1 . 2]" 1
360 1 40 GLY H 1 40 GLY HA3 . . 2.770 2.445 2.322 2.814 0.044 12 0 "[ . 1 . 2]" 1
361 1 47 PHE HA 1 48 PHE H . . 3.210 2.313 2.128 2.623 . 0 0 "[ . 1 . 2]" 1
362 1 47 PHE HA 1 61 LYS H . . 3.920 3.723 2.899 4.097 0.177 2 0 "[ . 1 . 2]" 1
363 1 47 PHE QD 1 48 PHE H . . 7.630 4.177 2.549 5.039 . 0 0 "[ . 1 . 2]" 1
364 1 48 PHE H 1 49 GLU H . . 4.140 3.858 2.925 4.275 0.135 4 0 "[ . 1 . 2]" 1
365 1 48 PHE H 1 60 LYS H . . 4.380 3.148 2.250 4.017 . 0 0 "[ . 1 . 2]" 1
366 1 48 PHE H 1 60 LYS HB2 . . 5.500 2.361 1.819 3.602 . 0 0 "[ . 1 . 2]" 1
367 1 48 PHE H 1 61 LYS H . . 4.260 3.530 2.852 4.326 0.066 16 0 "[ . 1 . 2]" 1
368 1 48 PHE HA 1 49 GLU H . . 3.670 2.336 2.231 2.500 . 0 0 "[ . 1 . 2]" 1
369 1 48 PHE HB2 1 49 GLU H . . 5.500 4.717 4.595 4.838 . 0 0 "[ . 1 . 2]" 1
370 1 48 PHE HB3 1 49 GLU H . . 5.500 4.476 4.153 4.590 . 0 0 "[ . 1 . 2]" 1
371 1 48 PHE QD 1 49 GLU H . . 7.630 3.977 3.143 4.567 . 0 0 "[ . 1 . 2]" 1
372 1 48 PHE QE 1 49 GLU H . . 7.630 5.528 4.616 6.095 . 0 0 "[ . 1 . 2]" 1
373 1 49 GLU H 1 49 GLU HB2 . . 3.520 2.512 2.072 3.661 0.141 13 0 "[ . 1 . 2]" 1
374 1 49 GLU H 1 49 GLU HB3 . . 3.240 3.544 3.331 3.686 0.446 2 0 "[ . 1 . 2]" 1
375 1 49 GLU H 1 49 GLU HG2 . . 3.700 2.938 2.268 3.781 0.081 5 0 "[ . 1 . 2]" 1
376 1 49 GLU H 1 50 VAL H . . 4.720 4.464 4.364 4.566 . 0 0 "[ . 1 . 2]" 1
377 1 49 GLU HA 1 50 VAL H . . 2.430 2.226 2.141 2.325 . 0 0 "[ . 1 . 2]" 1
378 1 49 GLU HA 1 60 LYS H . . 3.580 3.549 3.112 3.781 0.201 12 0 "[ . 1 . 2]" 1
379 1 50 VAL H 1 50 VAL HB . . 2.710 2.699 2.512 2.825 0.115 13 0 "[ . 1 . 2]" 1
380 1 50 VAL H 1 50 VAL MG2 . . 4.010 2.905 2.527 3.821 . 0 0 "[ . 1 . 2]" 1
381 1 50 VAL H 1 51 THR H . . 4.420 4.433 4.322 4.488 0.068 10 0 "[ . 1 . 2]" 1
382 1 50 VAL H 1 57 VAL H . . 3.890 4.020 3.942 4.077 0.187 18 0 "[ . 1 . 2]" 1
383 1 50 VAL H 1 58 HIS H . . 3.450 2.995 2.824 3.188 . 0 0 "[ . 1 . 2]" 1
384 1 50 VAL H 1 58 HIS HA . . 4.480 4.541 4.419 4.659 0.179 1 0 "[ . 1 . 2]" 1
385 1 50 VAL H 1 58 HIS HB2 . . 4.110 4.047 3.748 4.163 0.053 1 0 "[ . 1 . 2]" 1
386 1 50 VAL H 1 58 HIS HD2 . . 5.500 3.769 2.840 4.583 . 0 0 "[ . 1 . 2]" 1
387 1 50 VAL H 1 59 SER HA . . 3.580 3.697 3.573 3.795 0.215 3 0 "[ . 1 . 2]" 1
388 1 50 VAL HA 1 51 THR H . . 2.400 2.139 2.066 2.220 . 0 0 "[ . 1 . 2]" 1
389 1 50 VAL HA 1 58 HIS H . . 5.500 4.917 4.750 5.161 . 0 0 "[ . 1 . 2]" 1
390 1 50 VAL HB 1 51 THR H . . 4.320 4.218 4.046 4.416 0.096 10 0 "[ . 1 . 2]" 1
391 1 50 VAL MG1 1 51 THR H . . 4.190 2.847 2.623 3.289 . 0 0 "[ . 1 . 2]" 1
392 1 51 THR H 1 51 THR HA . . 3.140 2.963 2.909 2.996 . 0 0 "[ . 1 . 2]" 1
393 1 51 THR H 1 51 THR HB . . 3.050 3.174 2.848 3.461 0.411 20 0 "[ . 1 . 2]" 1
394 1 51 THR H 1 51 THR MG . . 4.190 3.630 2.868 4.030 . 0 0 "[ . 1 . 2]" 1
395 1 51 THR H 1 52 VAL H . . 4.380 4.404 4.324 4.466 0.086 12 0 "[ . 1 . 2]" 1
396 1 51 THR H 1 56 LEU HA . . 4.910 4.646 4.456 4.847 . 0 0 "[ . 1 . 2]" 1
397 1 51 THR HA 1 52 VAL H . . 2.400 2.239 2.150 2.282 . 0 0 "[ . 1 . 2]" 1
398 1 51 THR HA 1 56 LEU H . . 4.850 4.255 3.931 4.527 . 0 0 "[ . 1 . 2]" 1
399 1 51 THR HA 1 57 VAL H . . 3.020 3.052 2.944 3.160 0.140 2 0 "[ . 1 . 2]" 1
400 1 51 THR HA 1 58 HIS H . . 4.540 4.596 4.544 4.653 0.113 3 0 "[ . 1 . 2]" 1
401 1 51 THR HB 1 52 VAL H . . 3.700 3.542 3.034 3.825 0.125 13 0 "[ . 1 . 2]" 1
402 1 51 THR HB 1 54 GLY H . . 4.070 3.594 3.024 4.209 0.139 13 0 "[ . 1 . 2]" 1
403 1 51 THR HB 1 55 LYS H . . 4.070 4.188 3.982 4.349 0.279 15 0 "[ . 1 . 2]" 1
404 1 51 THR MG 1 52 VAL H . . 4.440 3.067 2.463 3.843 . 0 0 "[ . 1 . 2]" 1
405 1 51 THR MG 1 54 GLY H . . 5.500 3.383 2.425 4.688 . 0 0 "[ . 1 . 2]" 1
406 1 52 VAL H 1 52 VAL HA . . 2.960 2.979 2.970 2.989 0.029 10 0 "[ . 1 . 2]" 1
407 1 52 VAL H 1 52 VAL HB . . 3.170 3.188 3.037 3.289 0.119 15 0 "[ . 1 . 2]" 1
408 1 52 VAL H 1 52 VAL MG1 . . 4.660 2.171 2.014 2.301 . 0 0 "[ . 1 . 2]" 1
409 1 52 VAL H 1 53 ALA H . . 4.230 4.324 4.276 4.355 0.125 13 0 "[ . 1 . 2]" 1
410 1 52 VAL H 1 55 LYS H . . 3.050 2.782 2.590 3.101 0.051 7 0 "[ . 1 . 2]" 1
411 1 52 VAL H 1 55 LYS HB2 . . 3.580 3.262 3.064 3.414 . 0 0 "[ . 1 . 2]" 1
412 1 52 VAL H 1 55 LYS HG2 . . 5.500 5.018 4.725 5.659 0.159 15 0 "[ . 1 . 2]" 1
413 1 52 VAL H 1 55 LYS HG3 . . 5.500 5.429 4.847 5.571 0.071 20 0 "[ . 1 . 2]" 1
414 1 52 VAL H 1 56 LEU HA . . 4.660 3.894 3.642 4.125 . 0 0 "[ . 1 . 2]" 1
415 1 52 VAL H 1 57 VAL H . . 4.380 4.388 4.157 4.487 0.107 20 0 "[ . 1 . 2]" 1
416 1 52 VAL HA 1 53 ALA H . . 2.400 2.129 2.057 2.191 . 0 0 "[ . 1 . 2]" 1
417 1 52 VAL HA 1 54 GLY H . . 3.760 3.687 3.268 3.838 0.078 19 0 "[ . 1 . 2]" 1
418 1 52 VAL HB 1 53 ALA H . . 4.350 4.160 4.012 4.347 . 0 0 "[ . 1 . 2]" 1
419 1 52 VAL MG2 1 53 ALA H . . 4.690 2.680 2.321 3.271 . 0 0 "[ . 1 . 2]" 1
420 1 53 ALA H 1 53 ALA HA . . 2.590 2.299 2.255 2.335 . 0 0 "[ . 1 . 2]" 1
421 1 53 ALA H 1 54 GLY H . . 3.020 3.010 2.791 3.073 0.053 3 0 "[ . 1 . 2]" 1
422 1 53 ALA HA 1 54 GLY H . . 2.960 2.897 2.768 3.019 0.059 2 0 "[ . 1 . 2]" 1
423 1 53 ALA MB 1 54 GLY H . . 4.530 3.705 3.599 3.757 . 0 0 "[ . 1 . 2]" 1
424 1 54 GLY H 1 54 GLY HA2 . . 2.550 2.381 2.342 2.476 . 0 0 "[ . 1 . 2]" 1
425 1 54 GLY H 1 54 GLY HA3 . . 2.930 2.952 2.903 3.008 0.078 17 0 "[ . 1 . 2]" 1
426 1 54 GLY H 1 55 LYS H . . 2.930 2.564 2.184 2.902 . 0 0 "[ . 1 . 2]" 1
427 1 54 GLY HA2 1 55 LYS H . . 4.040 3.160 2.735 3.495 . 0 0 "[ . 1 . 2]" 1
428 1 54 GLY HA3 1 55 LYS H . . 3.480 3.434 3.150 3.559 0.079 13 0 "[ . 1 . 2]" 1
429 1 55 LYS H 1 55 LYS HA . . 3.020 2.976 2.903 2.999 . 0 0 "[ . 1 . 2]" 1
430 1 55 LYS H 1 55 LYS HB2 . . 2.620 2.608 2.224 2.750 0.130 13 0 "[ . 1 . 2]" 1
431 1 55 LYS H 1 55 LYS QE . . 6.380 4.513 3.930 5.307 . 0 0 "[ . 1 . 2]" 1
432 1 55 LYS H 1 55 LYS HG2 . . 4.010 2.885 2.327 3.561 . 0 0 "[ . 1 . 2]" 1
433 1 55 LYS H 1 55 LYS HG3 . . 5.500 3.912 2.932 4.305 . 0 0 "[ . 1 . 2]" 1
434 1 55 LYS H 1 56 LEU H . . 4.970 4.237 4.077 4.406 . 0 0 "[ . 1 . 2]" 1
435 1 55 LYS HA 1 56 LEU H . . 2.400 2.198 2.153 2.235 . 0 0 "[ . 1 . 2]" 1
436 1 56 LEU H 1 56 LEU HB2 . . 2.680 2.631 2.494 2.743 0.063 5 0 "[ . 1 . 2]" 1
437 1 56 LEU H 1 56 LEU HB3 . . 2.590 2.340 1.918 2.433 . 0 0 "[ . 1 . 2]" 1
438 1 56 LEU H 1 56 LEU MD2 . . 4.070 4.097 4.049 4.168 0.098 5 0 "[ . 1 . 2]" 1
439 1 56 LEU H 1 57 VAL H . . 4.570 4.478 4.396 4.542 . 0 0 "[ . 1 . 2]" 1
440 1 56 LEU HA 1 57 VAL H . . 3.210 2.009 1.969 2.047 . 0 0 "[ . 1 . 2]" 1
441 1 56 LEU HA 1 58 HIS H . . 3.450 3.523 3.436 3.588 0.138 14 0 "[ . 1 . 2]" 1
442 1 56 LEU HB2 1 57 VAL H . . 3.890 3.980 3.919 4.087 0.197 10 0 "[ . 1 . 2]" 1
443 1 56 LEU HB2 1 58 HIS H . . 4.790 4.904 4.860 5.038 0.248 18 0 "[ . 1 . 2]" 1
444 1 56 LEU MD1 1 58 HIS H . . 5.680 3.964 2.580 4.614 . 0 0 "[ . 1 . 2]" 1
445 1 56 LEU MD2 1 59 SER H . . 5.740 4.182 3.806 5.229 . 0 0 "[ . 1 . 2]" 1
446 1 57 VAL H 1 57 VAL HB . . 3.020 2.854 2.542 3.042 0.022 12 0 "[ . 1 . 2]" 1
447 1 57 VAL H 1 57 VAL MG1 . . 4.320 3.975 3.866 4.024 . 0 0 "[ . 1 . 2]" 1
448 1 57 VAL H 1 57 VAL MG2 . . 4.690 2.593 2.365 3.017 . 0 0 "[ . 1 . 2]" 1
449 1 57 VAL H 1 58 HIS H . . 2.490 1.905 1.833 2.007 . 0 0 "[ . 1 . 2]" 1
450 1 57 VAL HA 1 58 HIS H . . 4.380 3.464 3.373 3.531 . 0 0 "[ . 1 . 2]" 1
451 1 57 VAL HB 1 58 HIS H . . 3.110 3.067 2.688 3.196 0.086 11 0 "[ . 1 . 2]" 1
452 1 57 VAL MG1 1 58 HIS H . . 4.470 4.001 3.677 4.192 . 0 0 "[ . 1 . 2]" 1
453 1 57 VAL MG2 1 58 HIS H . . 4.600 3.817 3.606 4.194 . 0 0 "[ . 1 . 2]" 1
454 1 58 HIS H 1 58 HIS HB2 . . 2.800 2.958 2.829 3.057 0.257 14 0 "[ . 1 . 2]" 1
455 1 58 HIS H 1 58 HIS HB3 . . 3.110 2.738 2.440 2.972 . 0 0 "[ . 1 . 2]" 1
456 1 58 HIS H 1 58 HIS HD2 . . 5.250 5.141 4.651 5.359 0.109 1 0 "[ . 1 . 2]" 1
457 1 58 HIS H 1 59 SER H . . 4.540 4.378 4.266 4.459 . 0 0 "[ . 1 . 2]" 1
458 1 58 HIS H 1 59 SER HA . . 5.500 5.015 4.830 5.175 . 0 0 "[ . 1 . 2]" 1
459 1 58 HIS HA 1 59 SER H . . 2.460 2.209 2.114 2.279 . 0 0 "[ . 1 . 2]" 1
460 1 58 HIS HB2 1 59 SER H . . 4.230 4.083 3.909 4.290 0.060 12 0 "[ . 1 . 2]" 1
461 1 58 HIS HB3 1 59 SER H . . 3.550 3.651 3.578 3.757 0.207 13 0 "[ . 1 . 2]" 1
462 1 58 HIS HD2 1 59 SER H . . 4.910 4.176 3.621 4.680 . 0 0 "[ . 1 . 2]" 1
463 1 58 HIS HD2 1 60 LYS H . . 4.850 4.300 3.491 4.984 0.134 10 0 "[ . 1 . 2]" 1
464 1 59 SER H 1 59 SER HB2 . . 3.140 3.243 2.746 3.366 0.226 9 0 "[ . 1 . 2]" 1
465 1 59 SER H 1 59 SER HB3 . . 3.480 3.001 2.766 3.550 0.070 20 0 "[ . 1 . 2]" 1
466 1 59 SER H 1 60 LYS H . . 4.200 3.857 3.588 4.017 . 0 0 "[ . 1 . 2]" 1
467 1 59 SER H 1 62 ARG HE . . 5.500 4.349 3.532 5.080 . 0 0 "[ . 1 . 2]" 1
468 1 59 SER H 1 62 ARG HG2 . . 5.440 4.394 3.863 5.516 0.076 6 0 "[ . 1 . 2]" 1
469 1 59 SER H 1 64 ASP H . . 4.010 3.949 3.667 4.097 0.087 19 0 "[ . 1 . 2]" 1
470 1 59 SER H 1 64 ASP HB3 . . 3.270 2.333 1.841 3.367 0.097 15 0 "[ . 1 . 2]" 1
471 1 59 SER HA 1 60 LYS H . . 2.710 2.310 2.239 2.381 . 0 0 "[ . 1 . 2]" 1
472 1 59 SER HA 1 61 LYS H . . 3.700 3.406 3.064 3.767 0.067 2 0 "[ . 1 . 2]" 1
473 1 59 SER HB2 1 62 ARG H . . 3.790 3.719 3.342 3.869 0.079 15 0 "[ . 1 . 2]" 1
474 1 59 SER HB2 1 62 ARG HE . . 5.070 5.011 3.541 5.334 0.264 14 0 "[ . 1 . 2]" 1
475 1 59 SER HB3 1 62 ARG H . . 3.950 2.609 1.913 3.018 . 0 0 "[ . 1 . 2]" 1
476 1 59 SER HB3 1 62 ARG HE . . 5.500 3.888 3.215 4.856 . 0 0 "[ . 1 . 2]" 1
477 1 60 LYS H 1 60 LYS HB2 . . 3.330 2.150 1.858 2.297 . 0 0 "[ . 1 . 2]" 1
478 1 60 LYS H 1 60 LYS HB3 . . 3.390 3.403 2.665 3.571 0.181 18 0 "[ . 1 . 2]" 1
479 1 60 LYS H 1 60 LYS HD2 . . 5.500 5.049 4.213 5.573 0.073 11 0 "[ . 1 . 2]" 1
480 1 60 LYS H 1 60 LYS HD3 . . 5.500 5.255 4.564 5.629 0.129 1 0 "[ . 1 . 2]" 1
481 1 60 LYS H 1 60 LYS HE2 . . 5.500 5.242 4.762 5.692 0.192 1 0 "[ . 1 . 2]" 1
482 1 60 LYS H 1 60 LYS HE3 . . 5.500 5.125 4.436 5.703 0.203 12 0 "[ . 1 . 2]" 1
483 1 60 LYS H 1 60 LYS HG2 . . 5.500 3.246 2.799 4.364 . 0 0 "[ . 1 . 2]" 1
484 1 60 LYS H 1 60 LYS HG3 . . 5.500 3.952 3.674 4.588 . 0 0 "[ . 1 . 2]" 1
485 1 60 LYS H 1 61 LYS H . . 3.300 2.690 2.504 2.990 . 0 0 "[ . 1 . 2]" 1
486 1 60 LYS HA 1 61 LYS H . . 4.380 3.508 3.408 3.598 . 0 0 "[ . 1 . 2]" 1
487 1 60 LYS HA 1 63 GLY H . . 3.670 3.325 2.757 3.714 0.044 17 0 "[ . 1 . 2]" 1
488 1 60 LYS HA 1 64 ASP H . . 3.210 3.253 2.621 3.398 0.188 12 0 "[ . 1 . 2]" 1
489 1 60 LYS HB2 1 61 LYS H . . 3.580 3.270 3.001 3.740 0.160 13 0 "[ . 1 . 2]" 1
490 1 60 LYS HB3 1 65 GLY H . . 5.500 5.262 4.671 5.569 0.069 20 0 "[ . 1 . 2]" 1
491 1 60 LYS HD3 1 65 GLY H . . 5.220 4.338 3.017 5.302 0.082 16 0 "[ . 1 . 2]" 1
492 1 60 LYS HG2 1 65 GLY H . . 3.890 3.809 3.058 4.266 0.376 13 0 "[ . 1 . 2]" 1
493 1 61 LYS H 1 61 LYS HA . . 3.140 2.914 2.834 2.989 . 0 0 "[ . 1 . 2]" 1
494 1 61 LYS H 1 62 ARG H . . 3.300 2.786 2.514 3.056 . 0 0 "[ . 1 . 2]" 1
495 1 61 LYS H 1 63 GLY H . . 3.950 3.980 3.862 4.059 0.109 2 0 "[ . 1 . 2]" 1
496 1 61 LYS HA 1 62 ARG H . . 3.580 3.576 3.482 3.632 0.052 1 0 "[ . 1 . 2]" 1
497 1 61 LYS HB2 1 62 ARG H . . 4.230 4.088 3.762 4.311 0.081 12 0 "[ . 1 . 2]" 1
498 1 61 LYS HB3 1 62 ARG H . . 4.450 3.450 2.344 4.379 . 0 0 "[ . 1 . 2]" 1
499 1 61 LYS QD 1 62 ARG H . . 6.380 3.931 2.607 5.358 . 0 0 "[ . 1 . 2]" 1
500 1 61 LYS QG 1 62 ARG H . . 6.380 3.507 2.369 4.594 . 0 0 "[ . 1 . 2]" 1
501 1 62 ARG H 1 62 ARG HB2 . . 3.420 3.456 2.432 3.673 0.253 20 0 "[ . 1 . 2]" 1
502 1 62 ARG H 1 62 ARG HD2 . . 5.500 4.896 4.252 5.665 0.165 8 0 "[ . 1 . 2]" 1
503 1 62 ARG H 1 62 ARG HD3 . . 5.500 4.972 4.155 5.435 . 0 0 "[ . 1 . 2]" 1
504 1 62 ARG H 1 62 ARG HE . . 5.500 5.276 4.591 5.550 0.050 7 0 "[ . 1 . 2]" 1
505 1 62 ARG H 1 62 ARG HG2 . . 5.500 3.551 2.857 4.300 . 0 0 "[ . 1 . 2]" 1
506 1 62 ARG H 1 62 ARG HG3 . . 4.510 3.274 2.559 4.482 . 0 0 "[ . 1 . 2]" 1
507 1 62 ARG H 1 63 GLY H . . 2.830 2.526 2.243 2.755 . 0 0 "[ . 1 . 2]" 1
508 1 62 ARG H 1 64 ASP H . . 3.830 3.808 3.509 3.960 0.130 18 0 "[ . 1 . 2]" 1
509 1 62 ARG HA 1 63 GLY H . . 3.390 3.397 3.276 3.531 0.141 18 0 "[ . 1 . 2]" 1
510 1 62 ARG HB2 1 62 ARG HE . . 5.500 4.428 3.673 4.754 . 0 0 "[ . 1 . 2]" 1
511 1 62 ARG HB2 1 63 GLY H . . 4.260 4.314 3.900 4.428 0.168 2 0 "[ . 1 . 2]" 1
512 1 62 ARG HB2 1 64 ASP H . . 5.410 5.023 4.540 5.303 . 0 0 "[ . 1 . 2]" 1
513 1 62 ARG HB3 1 62 ARG HE . . 5.500 4.498 2.532 4.919 . 0 0 "[ . 1 . 2]" 1
514 1 62 ARG HB3 1 63 GLY H . . 5.500 3.859 2.633 4.329 . 0 0 "[ . 1 . 2]" 1
515 1 62 ARG HB3 1 64 ASP H . . 4.630 4.532 2.803 4.930 0.300 14 0 "[ . 1 . 2]" 1
516 1 62 ARG HE 1 62 ARG HG3 . . 4.350 2.642 2.216 3.604 . 0 0 "[ . 1 . 2]" 1
517 1 62 ARG HE 1 63 GLY HA2 . . 5.500 5.617 4.544 5.900 0.400 18 0 "[ . 1 . 2]" 1
518 1 62 ARG HG2 1 63 GLY H . . 5.500 4.091 2.421 4.723 . 0 0 "[ . 1 . 2]" 1
519 1 63 GLY H 1 63 GLY HA2 . . 2.930 2.373 2.277 2.635 . 0 0 "[ . 1 . 2]" 1
520 1 63 GLY H 1 63 GLY HA3 . . 3.140 2.985 2.920 3.010 . 0 0 "[ . 1 . 2]" 1
521 1 63 GLY H 1 64 ASP H . . 2.550 2.223 1.789 2.476 . 0 0 "[ . 1 . 2]" 1
522 1 63 GLY H 1 65 GLY H . . 3.920 4.078 3.940 4.337 0.417 13 0 "[ . 1 . 2]" 1
523 1 63 GLY HA2 1 64 ASP H . . 3.420 2.983 2.722 3.381 . 0 0 "[ . 1 . 2]" 1
524 1 63 GLY HA3 1 64 ASP H . . 3.640 3.547 3.197 3.630 . 0 0 "[ . 1 . 2]" 1
525 1 64 ASP H 1 64 ASP HA . . 3.020 2.879 2.640 2.986 . 0 0 "[ . 1 . 2]" 1
526 1 64 ASP H 1 64 ASP HB2 . . 3.080 2.279 1.853 2.640 . 0 0 "[ . 1 . 2]" 1
527 1 64 ASP H 1 64 ASP HB3 . . 2.800 2.733 2.513 3.180 0.380 15 0 "[ . 1 . 2]" 1
528 1 64 ASP H 1 65 GLY H . . 2.960 2.638 2.277 3.121 0.161 13 0 "[ . 1 . 2]" 1
529 1 64 ASP HA 1 65 GLY H . . 3.520 3.513 3.465 3.570 0.050 4 0 "[ . 1 . 2]" 1
530 1 64 ASP HB2 1 65 GLY H . . 3.950 3.763 2.534 4.023 0.073 14 0 "[ . 1 . 2]" 1
531 1 64 ASP HB3 1 65 GLY H . . 4.260 2.826 2.224 3.334 . 0 0 "[ . 1 . 2]" 1
532 1 65 GLY H 1 65 GLY HA2 . . 2.400 2.389 2.290 2.640 0.240 18 0 "[ . 1 . 2]" 1
533 1 65 GLY H 1 65 GLY HA3 . . 3.140 2.939 2.869 3.010 . 0 0 "[ . 1 . 2]" 1
534 1 65 GLY H 1 66 TYR H . . 4.200 4.365 4.279 4.470 0.270 10 0 "[ . 1 . 2]" 1
535 1 65 GLY HA2 1 66 TYR H . . 2.550 2.428 2.200 2.695 0.145 7 0 "[ . 1 . 2]" 1
536 1 65 GLY HA3 1 66 TYR H . . 2.830 2.667 2.223 2.918 0.088 8 0 "[ . 1 . 2]" 1
537 1 66 TYR H 1 66 TYR HB2 . . 2.900 2.550 2.292 2.779 . 0 0 "[ . 1 . 2]" 1
538 1 66 TYR H 1 66 TYR HB3 . . 3.390 3.574 3.497 3.675 0.285 7 0 "[ . 1 . 2]" 1
539 1 66 TYR HA 1 67 VAL H . . 2.770 2.739 2.508 2.868 0.098 18 0 "[ . 1 . 2]" 1
540 1 66 TYR HB2 1 67 VAL H . . 2.900 2.963 2.803 3.065 0.165 7 0 "[ . 1 . 2]" 1
541 1 66 TYR HB3 1 67 VAL H . . 2.590 2.007 1.746 2.495 . 0 0 "[ . 1 . 2]" 1
542 1 66 TYR QD 1 67 VAL H . . 6.920 3.958 3.528 4.375 . 0 0 "[ . 1 . 2]" 1
543 1 67 VAL H 1 67 VAL HB . . 4.010 3.754 3.599 3.837 . 0 0 "[ . 1 . 2]" 1
544 1 67 VAL H 1 67 VAL MG2 . . 4.040 2.231 2.084 2.405 . 0 0 "[ . 1 . 2]" 1
545 1 67 VAL H 1 68 ASP H . . 4.350 3.729 3.191 4.175 . 0 0 "[ . 1 . 2]" 1
546 1 67 VAL HA 1 68 ASP H . . 2.430 2.093 1.950 2.465 0.035 9 0 "[ . 1 . 2]" 1
547 1 67 VAL HA 1 69 THR H . . 3.360 3.085 2.546 3.414 0.054 10 0 "[ . 1 . 2]" 1
548 1 67 VAL HA 1 73 PHE H . . 4.570 4.068 3.109 4.587 0.017 10 0 "[ . 1 . 2]" 1
549 1 67 VAL HB 1 68 ASP H . . 3.610 3.816 3.490 4.050 0.440 9 0 "[ . 1 . 2]" 1
550 1 67 VAL HB 1 69 THR H . . 3.390 3.571 3.472 3.669 0.279 10 0 "[ . 1 . 2]" 1
551 1 67 VAL HB 1 73 PHE H . . 4.970 3.460 3.189 4.103 . 0 0 "[ . 1 . 2]" 1
552 1 67 VAL MG1 1 68 ASP H . . 5.250 3.973 3.822 4.186 . 0 0 "[ . 1 . 2]" 1
553 1 67 VAL MG1 1 69 THR H . . 5.370 4.407 4.189 4.606 . 0 0 "[ . 1 . 2]" 1
554 1 67 VAL MG1 1 73 PHE H . . 5.090 3.369 2.814 3.835 . 0 0 "[ . 1 . 2]" 1
555 1 67 VAL MG1 1 74 ARG H . . 6.520 4.859 4.603 5.149 . 0 0 "[ . 1 . 2]" 1
556 1 67 VAL MG2 1 68 ASP H . . 6.240 4.251 3.930 4.353 . 0 0 "[ . 1 . 2]" 1
557 1 68 ASP H 1 68 ASP HB2 . . 3.550 2.376 2.130 3.545 . 0 0 "[ . 1 . 2]" 1
558 1 68 ASP H 1 68 ASP HB3 . . 3.330 3.454 2.888 3.514 0.184 4 0 "[ . 1 . 2]" 1
559 1 68 ASP H 1 69 THR H . . 2.680 2.508 2.111 2.739 0.059 15 0 "[ . 1 . 2]" 1
560 1 68 ASP H 1 72 LYS HB2 . . 4.010 3.751 3.188 4.090 0.080 6 0 "[ . 1 . 2]" 1
561 1 68 ASP H 1 72 LYS HB3 . . 4.040 3.036 2.614 3.544 . 0 0 "[ . 1 . 2]" 1
562 1 68 ASP H 1 72 LYS HE2 . . 5.070 4.431 2.957 5.101 0.031 8 0 "[ . 1 . 2]" 1
563 1 68 ASP HA 1 69 THR H . . 3.830 3.473 3.285 3.586 . 0 0 "[ . 1 . 2]" 1
564 1 68 ASP HB2 1 69 THR H . . 3.550 3.157 2.935 3.575 0.025 16 0 "[ . 1 . 2]" 1
565 1 68 ASP HB3 1 69 THR H . . 3.830 4.032 3.920 4.139 0.309 8 0 "[ . 1 . 2]" 1
566 1 69 THR H 1 69 THR HB . . 3.240 3.419 3.251 3.810 0.570 14 2 "[ . 1 - +. 2]" 1
567 1 69 THR H 1 69 THR MG . . 4.290 3.829 2.901 4.160 . 0 0 "[ . 1 . 2]" 1
568 1 69 THR H 1 70 GLU H . . 4.350 4.336 4.226 4.414 0.064 18 0 "[ . 1 . 2]" 1
569 1 69 THR H 1 72 LYS H . . 3.550 3.585 3.383 3.704 0.154 9 0 "[ . 1 . 2]" 1
570 1 69 THR H 1 72 LYS HA . . 5.000 5.097 4.838 5.260 0.260 16 0 "[ . 1 . 2]" 1
571 1 69 THR H 1 72 LYS HB3 . . 2.650 2.600 2.141 2.867 0.217 13 0 "[ . 1 . 2]" 1
572 1 69 THR H 1 72 LYS QG . . 5.390 3.964 2.803 4.675 . 0 0 "[ . 1 . 2]" 1
573 1 69 THR H 1 73 PHE H . . 4.260 3.837 3.457 4.298 0.038 16 0 "[ . 1 . 2]" 1
574 1 69 THR HA 1 70 GLU H . . 3.950 2.271 2.112 2.386 . 0 0 "[ . 1 . 2]" 1
575 1 69 THR HA 1 71 SER H . . 4.260 4.341 3.972 4.435 0.175 15 0 "[ . 1 . 2]" 1
576 1 69 THR HB 1 70 GLU H . . 2.930 2.925 2.313 3.103 0.173 9 0 "[ . 1 . 2]" 1
577 1 69 THR HB 1 71 SER H . . 2.830 2.706 2.323 2.916 0.086 9 0 "[ . 1 . 2]" 1
578 1 69 THR HB 1 72 LYS H . . 5.130 2.597 2.039 3.569 . 0 0 "[ . 1 . 2]" 1
579 1 69 THR MG 1 70 GLU H . . 5.060 2.513 1.912 3.850 . 0 0 "[ . 1 . 2]" 1
580 1 69 THR MG 1 71 SER H . . 5.460 3.213 2.288 4.234 . 0 0 "[ . 1 . 2]" 1
581 1 70 GLU H 1 70 GLU HA . . 3.080 2.822 2.773 2.887 . 0 0 "[ . 1 . 2]" 1
582 1 70 GLU H 1 70 GLU HB2 . . 2.860 2.135 1.890 2.583 . 0 0 "[ . 1 . 2]" 1
583 1 70 GLU H 1 70 GLU HB3 . . 3.550 3.099 2.483 3.597 0.047 20 0 "[ . 1 . 2]" 1
584 1 70 GLU H 1 70 GLU HG2 . . 4.230 3.638 2.057 4.290 0.060 4 0 "[ . 1 . 2]" 1
585 1 70 GLU H 1 71 SER H . . 3.050 2.779 2.579 2.863 . 0 0 "[ . 1 . 2]" 1
586 1 70 GLU H 1 72 LYS H . . 5.500 4.085 3.852 4.323 . 0 0 "[ . 1 . 2]" 1
587 1 70 GLU HA 1 71 SER H . . 3.520 3.443 3.347 3.533 0.013 7 0 "[ . 1 . 2]" 1
588 1 70 GLU HA 1 72 LYS H . . 3.980 4.137 4.037 4.262 0.282 13 0 "[ . 1 . 2]" 1
589 1 70 GLU HA 1 73 PHE H . . 4.010 3.464 3.171 3.740 . 0 0 "[ . 1 . 2]" 1
590 1 70 GLU HB2 1 71 SER H . . 2.860 3.011 2.615 3.222 0.362 4 0 "[ . 1 . 2]" 1
591 1 70 GLU HB3 1 71 SER H . . 3.700 2.495 1.818 3.709 0.009 20 0 "[ . 1 . 2]" 1
592 1 70 GLU HG2 1 71 SER H . . 4.820 4.607 4.087 4.873 0.053 12 0 "[ . 1 . 2]" 1
593 1 71 SER H 1 71 SER HA . . 3.020 2.861 2.766 2.908 . 0 0 "[ . 1 . 2]" 1
594 1 71 SER H 1 71 SER HB2 . . 2.930 2.285 2.130 2.421 . 0 0 "[ . 1 . 2]" 1
595 1 71 SER H 1 71 SER HB3 . . 3.080 3.023 2.752 3.207 0.127 2 0 "[ . 1 . 2]" 1
596 1 71 SER H 1 72 LYS H . . 3.020 2.786 2.571 3.055 0.035 11 0 "[ . 1 . 2]" 1
597 1 71 SER H 1 73 PHE H . . 4.290 4.332 4.193 4.441 0.151 6 0 "[ . 1 . 2]" 1
598 1 71 SER HA 1 72 LYS H . . 4.450 3.481 3.386 3.586 . 0 0 "[ . 1 . 2]" 1
599 1 71 SER HA 1 73 PHE H . . 4.510 4.532 4.217 4.629 0.119 18 0 "[ . 1 . 2]" 1
600 1 71 SER HA 1 74 ARG H . . 3.830 3.572 3.295 3.790 . 0 0 "[ . 1 . 2]" 1
601 1 71 SER HB2 1 72 LYS H . . 3.610 3.755 3.697 3.890 0.280 10 0 "[ . 1 . 2]" 1
602 1 71 SER HB3 1 72 LYS H . . 3.730 2.943 2.522 3.290 . 0 0 "[ . 1 . 2]" 1
603 1 72 LYS H 1 72 LYS HA . . 2.800 2.909 2.838 2.979 0.179 10 0 "[ . 1 . 2]" 1
604 1 72 LYS H 1 72 LYS HB2 . . 3.580 2.392 1.971 2.789 . 0 0 "[ . 1 . 2]" 1
605 1 72 LYS H 1 72 LYS HB3 . . 3.670 3.015 2.641 3.449 . 0 0 "[ . 1 . 2]" 1
606 1 72 LYS H 1 72 LYS HE2 . . 5.500 5.412 4.480 5.738 0.238 13 0 "[ . 1 . 2]" 1
607 1 72 LYS H 1 72 LYS HE3 . . 5.500 4.868 4.392 5.647 0.147 13 0 "[ . 1 . 2]" 1
608 1 72 LYS H 1 72 LYS QG . . 5.110 3.779 2.802 4.150 . 0 0 "[ . 1 . 2]" 1
609 1 72 LYS H 1 73 PHE H . . 2.830 2.507 2.315 2.790 . 0 0 "[ . 1 . 2]" 1
610 1 72 LYS H 1 74 ARG H . . 4.540 4.047 3.810 4.284 . 0 0 "[ . 1 . 2]" 1
611 1 72 LYS HA 1 73 PHE H . . 4.010 3.517 3.430 3.573 . 0 0 "[ . 1 . 2]" 1
612 1 72 LYS HA 1 75 LYS H . . 3.610 3.557 3.144 3.769 0.159 9 0 "[ . 1 . 2]" 1
613 1 72 LYS HB2 1 73 PHE H . . 3.760 3.487 2.576 3.868 0.108 16 0 "[ . 1 . 2]" 1
614 1 72 LYS HB3 1 73 PHE H . . 2.930 2.811 2.432 3.148 0.218 9 0 "[ . 1 . 2]" 1
615 1 72 LYS QG 1 73 PHE H . . 5.920 4.120 3.516 4.396 . 0 0 "[ . 1 . 2]" 1
616 1 73 PHE H 1 73 PHE HA . . 2.990 2.904 2.856 2.978 . 0 0 "[ . 1 . 2]" 1
617 1 73 PHE H 1 73 PHE HB2 . . 3.390 2.657 2.534 2.985 . 0 0 "[ . 1 . 2]" 1
618 1 73 PHE H 1 73 PHE HB3 . . 2.800 2.411 2.253 2.594 . 0 0 "[ . 1 . 2]" 1
619 1 73 PHE H 1 74 ARG H . . 2.830 2.731 2.611 2.865 0.035 14 0 "[ . 1 . 2]" 1
620 1 73 PHE H 1 75 LYS H . . 4.380 4.170 3.953 4.294 . 0 0 "[ . 1 . 2]" 1
621 1 73 PHE HA 1 74 ARG H . . 3.580 3.546 3.506 3.588 0.008 12 0 "[ . 1 . 2]" 1
622 1 73 PHE HA 1 76 LEU H . . 3.760 3.696 3.530 3.922 0.162 11 0 "[ . 1 . 2]" 1
623 1 73 PHE QD 1 74 ARG H . . 7.630 3.572 2.694 3.879 . 0 0 "[ . 1 . 2]" 1
624 1 74 ARG H 1 74 ARG HA . . 2.930 2.801 2.757 2.843 . 0 0 "[ . 1 . 2]" 1
625 1 74 ARG H 1 74 ARG HB2 . . 3.020 2.217 2.048 2.562 . 0 0 "[ . 1 . 2]" 1
626 1 74 ARG H 1 74 ARG HB3 . . 3.170 2.814 2.412 3.338 0.168 13 0 "[ . 1 . 2]" 1
627 1 74 ARG H 1 75 LYS H . . 3.080 2.914 2.817 3.028 . 0 0 "[ . 1 . 2]" 1
628 1 74 ARG H 1 76 LEU H . . 4.230 4.332 4.230 4.427 0.197 3 0 "[ . 1 . 2]" 1
629 1 74 ARG HA 1 74 ARG HE . . 5.500 4.954 4.105 5.505 0.005 3 0 "[ . 1 . 2]" 1
630 1 74 ARG HA 1 75 LYS H . . 3.610 3.506 3.430 3.569 . 0 0 "[ . 1 . 2]" 1
631 1 74 ARG HA 1 76 LEU H . . 3.920 3.964 3.663 4.041 0.121 18 0 "[ . 1 . 2]" 1
632 1 74 ARG HA 1 77 VAL H . . 3.140 3.146 2.960 3.236 0.096 2 0 "[ . 1 . 2]" 1
633 1 74 ARG HB2 1 74 ARG HE . . 5.500 3.978 2.468 5.214 . 0 0 "[ . 1 . 2]" 1
634 1 74 ARG HB2 1 75 LYS H . . 5.500 3.930 3.437 4.278 . 0 0 "[ . 1 . 2]" 1
635 1 74 ARG HB3 1 74 ARG HE . . 4.820 3.868 2.310 4.958 0.138 12 0 "[ . 1 . 2]" 1
636 1 74 ARG HB3 1 75 LYS H . . 3.670 3.101 2.744 3.548 . 0 0 "[ . 1 . 2]" 1
637 1 74 ARG QD 1 75 LYS H . . 6.380 5.013 3.473 5.859 . 0 0 "[ . 1 . 2]" 1
638 1 74 ARG QG 1 75 LYS H . . 6.380 4.288 3.646 4.822 . 0 0 "[ . 1 . 2]" 1
639 1 75 LYS H 1 75 LYS HA . . 2.770 2.860 2.800 2.912 0.142 13 0 "[ . 1 . 2]" 1
640 1 75 LYS H 1 75 LYS QB . . 3.680 2.168 1.955 2.568 . 0 0 "[ . 1 . 2]" 1
641 1 75 LYS H 1 75 LYS HD2 . . 4.110 4.023 2.972 4.418 0.308 3 0 "[ . 1 . 2]" 1
642 1 75 LYS H 1 75 LYS HD3 . . 5.280 4.179 3.267 5.021 . 0 0 "[ . 1 . 2]" 1
643 1 75 LYS H 1 76 LEU H . . 2.800 2.581 2.466 2.663 . 0 0 "[ . 1 . 2]" 1
644 1 75 LYS H 1 77 VAL H . . 3.980 4.109 4.044 4.184 0.204 11 0 "[ . 1 . 2]" 1
645 1 75 LYS HA 1 76 LEU H . . 3.700 3.490 3.441 3.551 . 0 0 "[ . 1 . 2]" 1
646 1 75 LYS HA 1 78 THR H . . 3.950 3.859 3.493 4.017 0.067 12 0 "[ . 1 . 2]" 1
647 1 75 LYS QB 1 76 LEU H . . 3.990 2.900 2.376 3.771 . 0 0 "[ . 1 . 2]" 1
648 1 75 LYS HD3 1 76 LEU H . . 5.500 4.921 3.526 5.653 0.153 17 0 "[ . 1 . 2]" 1
649 1 76 LEU H 1 76 LEU HB2 . . 2.800 2.511 2.221 2.693 . 0 0 "[ . 1 . 2]" 1
650 1 76 LEU H 1 76 LEU HB3 . . 2.830 2.660 2.511 2.874 0.044 18 0 "[ . 1 . 2]" 1
651 1 76 LEU H 1 76 LEU MD1 . . 4.880 4.272 4.074 4.376 . 0 0 "[ . 1 . 2]" 1
652 1 76 LEU H 1 77 VAL H . . 2.740 2.351 2.180 2.474 . 0 0 "[ . 1 . 2]" 1
653 1 76 LEU H 1 78 THR H . . 4.200 3.885 3.740 3.968 . 0 0 "[ . 1 . 2]" 1
654 1 76 LEU HA 1 77 VAL H . . 3.390 3.483 3.468 3.500 0.110 18 0 "[ . 1 . 2]" 1
655 1 76 LEU HA 1 78 THR H . . 4.290 4.357 4.310 4.423 0.133 2 0 "[ . 1 . 2]" 1
656 1 76 LEU HA 1 79 ALA H . . 3.080 3.226 3.168 3.290 0.210 20 0 "[ . 1 . 2]" 1
657 1 76 LEU HA 1 80 ILE H . . 3.980 3.974 3.742 4.111 0.131 20 0 "[ . 1 . 2]" 1
658 1 76 LEU HB2 1 77 VAL H . . 3.520 3.606 3.439 3.699 0.179 17 0 "[ . 1 . 2]" 1
659 1 76 LEU HB3 1 77 VAL H . . 3.240 2.459 2.317 2.607 . 0 0 "[ . 1 . 2]" 1
660 1 77 VAL H 1 77 VAL HA . . 3.140 2.882 2.856 2.922 . 0 0 "[ . 1 . 2]" 1
661 1 77 VAL H 1 77 VAL HB . . 3.170 2.614 2.306 2.807 . 0 0 "[ . 1 . 2]" 1
662 1 77 VAL H 1 77 VAL MG2 . . 3.910 2.268 2.058 2.611 . 0 0 "[ . 1 . 2]" 1
663 1 77 VAL H 1 78 THR H . . 3.050 2.838 2.698 2.954 . 0 0 "[ . 1 . 2]" 1
664 1 77 VAL H 1 79 ALA H . . 4.510 4.137 3.959 4.291 . 0 0 "[ . 1 . 2]" 1
665 1 77 VAL HA 1 78 THR H . . 4.040 3.544 3.500 3.581 . 0 0 "[ . 1 . 2]" 1
666 1 77 VAL HA 1 79 ALA H . . 4.140 4.284 4.194 4.349 0.209 5 0 "[ . 1 . 2]" 1
667 1 77 VAL HA 1 80 ILE H . . 3.610 3.610 3.454 3.692 0.082 5 0 "[ . 1 . 2]" 1
668 1 77 VAL HA 1 81 LYS H . . 4.720 4.014 3.807 4.283 . 0 0 "[ . 1 . 2]" 1
669 1 77 VAL HB 1 78 THR H . . 3.020 2.684 2.475 2.938 . 0 0 "[ . 1 . 2]" 1
670 1 77 VAL MG1 1 78 THR H . . 5.250 3.397 2.952 3.637 . 0 0 "[ . 1 . 2]" 1
671 1 77 VAL MG2 1 78 THR H . . 5.500 3.959 3.728 4.198 . 0 0 "[ . 1 . 2]" 1
672 1 78 THR H 1 78 THR HA . . 2.800 2.860 2.828 2.879 0.079 2 0 "[ . 1 . 2]" 1
673 1 78 THR H 1 78 THR HB . . 2.590 2.590 2.441 2.646 0.056 11 0 "[ . 1 . 2]" 1
674 1 78 THR H 1 79 ALA H . . 2.960 2.674 2.595 2.783 . 0 0 "[ . 1 . 2]" 1
675 1 78 THR H 1 80 ILE H . . 4.110 4.144 4.114 4.169 0.059 10 0 "[ . 1 . 2]" 1
676 1 78 THR HA 1 79 ALA H . . 3.420 3.518 3.489 3.542 0.122 11 0 "[ . 1 . 2]" 1
677 1 78 THR HA 1 80 ILE H . . 4.070 4.263 4.179 4.324 0.254 1 0 "[ . 1 . 2]" 1
678 1 78 THR HA 1 81 LYS H . . 3.730 3.444 3.147 3.670 . 0 0 "[ . 1 . 2]" 1
679 1 78 THR HA 1 82 ALA H . . 4.170 3.922 3.663 4.171 0.001 1 0 "[ . 1 . 2]" 1
680 1 78 THR HB 1 79 ALA H . . 3.110 2.909 2.774 3.094 . 0 0 "[ . 1 . 2]" 1
681 1 78 THR MG 1 79 ALA H . . 4.910 3.772 3.640 3.914 . 0 0 "[ . 1 . 2]" 1
682 1 79 ALA H 1 79 ALA MB . . 3.420 2.293 2.270 2.314 . 0 0 "[ . 1 . 2]" 1
683 1 79 ALA H 1 80 ILE H . . 2.830 2.387 2.295 2.465 . 0 0 "[ . 1 . 2]" 1
684 1 79 ALA H 1 81 LYS H . . 3.890 3.830 3.720 3.927 0.037 12 0 "[ . 1 . 2]" 1
685 1 79 ALA HA 1 80 ILE H . . 3.330 3.414 3.376 3.445 0.115 17 0 "[ . 1 . 2]" 1
686 1 79 ALA HA 1 81 LYS H . . 3.920 4.159 4.112 4.206 0.286 12 0 "[ . 1 . 2]" 1
687 1 79 ALA HA 1 82 ALA H . . 3.520 3.469 3.276 3.555 0.035 20 0 "[ . 1 . 2]" 1
688 1 79 ALA HA 1 83 ALA H . . 4.010 3.809 3.567 4.025 0.015 19 0 "[ . 1 . 2]" 1
689 1 80 ILE H 1 80 ILE HA . . 3.110 2.973 2.962 2.985 . 0 0 "[ . 1 . 2]" 1
690 1 80 ILE H 1 80 ILE HB . . 2.400 2.455 2.419 2.497 0.097 17 0 "[ . 1 . 2]" 1
691 1 80 ILE H 1 80 ILE HG12 . . 3.520 2.526 2.455 2.615 . 0 0 "[ . 1 . 2]" 1
692 1 80 ILE H 1 80 ILE HG13 . . 3.790 3.799 3.684 3.853 0.063 7 0 "[ . 1 . 2]" 1
693 1 80 ILE H 1 81 LYS H . . 2.830 2.340 2.258 2.466 . 0 0 "[ . 1 . 2]" 1
694 1 80 ILE H 1 82 ALA H . . 3.860 3.924 3.864 3.975 0.115 11 0 "[ . 1 . 2]" 1
695 1 80 ILE HA 1 81 LYS H . . 4.070 3.536 3.489 3.608 . 0 0 "[ . 1 . 2]" 1
696 1 80 ILE HA 1 82 ALA H . . 5.500 4.383 4.272 4.564 . 0 0 "[ . 1 . 2]" 1
697 1 80 ILE HA 1 83 ALA H . . 3.610 3.362 3.120 3.638 0.028 20 0 "[ . 1 . 2]" 1
698 1 80 ILE HA 1 84 LEU H . . 4.170 3.793 3.609 4.002 . 0 0 "[ . 1 . 2]" 1
699 1 80 ILE HB 1 81 LYS H . . 4.140 2.950 2.813 3.079 . 0 0 "[ . 1 . 2]" 1
700 1 80 ILE MG 1 81 LYS H . . 5.310 3.668 3.549 3.824 . 0 0 "[ . 1 . 2]" 1
701 1 80 ILE MG 1 84 LEU H . . 6.050 4.025 3.862 4.208 . 0 0 "[ . 1 . 2]" 1
702 1 81 LYS H 1 81 LYS HB2 . . 3.240 2.407 2.254 2.551 . 0 0 "[ . 1 . 2]" 1
703 1 81 LYS H 1 81 LYS HB3 . . 3.300 2.686 2.488 3.529 0.229 11 0 "[ . 1 . 2]" 1
704 1 81 LYS H 1 81 LYS QD . . 5.580 4.692 4.397 4.921 . 0 0 "[ . 1 . 2]" 1
705 1 81 LYS H 1 81 LYS HE2 . . 5.500 4.730 3.836 5.541 0.041 6 0 "[ . 1 . 2]" 1
706 1 81 LYS H 1 81 LYS HE3 . . 5.500 5.198 4.125 5.662 0.162 12 0 "[ . 1 . 2]" 1
707 1 81 LYS H 1 82 ALA H . . 2.830 2.455 2.357 2.545 . 0 0 "[ . 1 . 2]" 1
708 1 81 LYS H 1 83 ALA H . . 4.140 4.108 3.998 4.185 0.045 9 0 "[ . 1 . 2]" 1
709 1 81 LYS HA 1 82 ALA H . . 4.040 3.458 3.427 3.516 . 0 0 "[ . 1 . 2]" 1
710 1 81 LYS HA 1 83 ALA H . . 4.720 4.740 4.582 4.787 0.067 18 0 "[ . 1 . 2]" 1
711 1 81 LYS HA 1 84 LEU H . . 3.520 3.568 3.250 3.664 0.144 18 0 "[ . 1 . 2]" 1
712 1 81 LYS HA 1 85 ALA H . . 4.320 3.972 3.713 4.195 . 0 0 "[ . 1 . 2]" 1
713 1 81 LYS HB2 1 82 ALA H . . 3.420 3.538 2.689 3.637 0.217 19 0 "[ . 1 . 2]" 1
714 1 81 LYS HB3 1 82 ALA H . . 3.580 2.501 2.356 3.603 0.023 11 0 "[ . 1 . 2]" 1
715 1 82 ALA H 1 82 ALA MB . . 3.420 2.271 2.233 2.293 . 0 0 "[ . 1 . 2]" 1
716 1 82 ALA H 1 83 ALA H . . 2.960 2.769 2.697 2.834 . 0 0 "[ . 1 . 2]" 1
717 1 82 ALA H 1 84 LEU H . . 3.830 3.950 3.900 3.986 0.156 5 0 "[ . 1 . 2]" 1
718 1 82 ALA HA 1 83 ALA H . . 3.580 3.606 3.591 3.622 0.042 5 0 "[ . 1 . 2]" 1
719 1 82 ALA HA 1 85 ALA H . . 3.670 3.699 3.629 3.728 0.058 3 0 "[ . 1 . 2]" 1
720 1 82 ALA MB 1 83 ALA H . . 4.100 2.416 2.339 2.562 . 0 0 "[ . 1 . 2]" 1
721 1 83 ALA H 1 83 ALA MB . . 3.670 2.221 2.179 2.244 . 0 0 "[ . 1 . 2]" 1
722 1 83 ALA H 1 84 LEU H . . 2.680 2.703 2.645 2.737 0.057 5 0 "[ . 1 . 2]" 1
723 1 83 ALA HA 1 84 LEU H . . 3.270 3.471 3.419 3.500 0.230 15 0 "[ . 1 . 2]" 1
724 1 84 LEU H 1 84 LEU HA . . 2.930 2.885 2.854 2.907 . 0 0 "[ . 1 . 2]" 1
725 1 84 LEU H 1 84 LEU HB2 . . 2.650 2.472 2.337 2.688 0.038 4 0 "[ . 1 . 2]" 1
726 1 84 LEU H 1 84 LEU HB3 . . 2.650 2.614 2.343 2.746 0.096 15 0 "[ . 1 . 2]" 1
727 1 84 LEU H 1 84 LEU MD1 . . 4.880 4.341 4.120 4.409 . 0 0 "[ . 1 . 2]" 1
728 1 84 LEU H 1 84 LEU MD2 . . 4.500 3.983 3.696 4.337 . 0 0 "[ . 1 . 2]" 1
729 1 84 LEU H 1 84 LEU HG . . 4.480 4.497 4.333 4.565 0.085 13 0 "[ . 1 . 2]" 1
730 1 84 LEU H 1 85 ALA H . . 2.740 2.752 2.680 2.791 0.051 11 0 "[ . 1 . 2]" 1
731 1 84 LEU H 1 86 GLN H . . 3.950 3.903 3.753 4.077 0.127 9 0 "[ . 1 . 2]" 1
732 1 84 LEU HA 1 85 ALA H . . 3.580 3.523 3.494 3.551 . 0 0 "[ . 1 . 2]" 1
733 1 84 LEU HA 1 86 GLN H . . 3.950 3.983 3.871 4.056 0.106 3 0 "[ . 1 . 2]" 1
734 1 84 LEU HA 1 87 CYS H . . 3.640 3.540 3.390 3.678 0.038 12 0 "[ . 1 . 2]" 1
735 1 84 LEU HA 1 88 GLN H . . 4.350 4.067 3.868 4.267 . 0 0 "[ . 1 . 2]" 1
736 1 84 LEU HB2 1 85 ALA H . . 3.390 3.585 3.495 3.656 0.266 4 0 "[ . 1 . 2]" 1
737 1 84 LEU HB3 1 85 ALA H . . 3.020 2.253 2.128 2.316 . 0 0 "[ . 1 . 2]" 1
738 1 84 LEU MD2 1 85 ALA H . . 6.520 4.236 3.527 4.531 . 0 0 "[ . 1 . 2]" 1
739 1 84 LEU HG 1 85 ALA H . . 4.820 4.347 2.875 4.782 . 0 0 "[ . 1 . 2]" 1
740 1 85 ALA HA 1 86 GLN H . . 3.240 3.353 3.312 3.387 0.147 9 0 "[ . 1 . 2]" 1
741 1 85 ALA HA 1 88 GLN H . . 3.360 3.420 3.375 3.484 0.124 15 0 "[ . 1 . 2]" 1
742 1 85 ALA MB 1 86 GLN H . . 4.040 3.009 2.914 3.207 . 0 0 "[ . 1 . 2]" 1
743 1 86 GLN H 1 86 GLN HA . . 3.110 2.967 2.932 3.011 . 0 0 "[ . 1 . 2]" 1
744 1 86 GLN H 1 86 GLN QB . . 3.780 2.383 2.241 2.934 . 0 0 "[ . 1 . 2]" 1
745 1 86 GLN H 1 86 GLN QG . . 4.990 3.590 2.371 4.180 . 0 0 "[ . 1 . 2]" 1
746 1 86 GLN H 1 87 CYS H . . 3.020 2.339 2.204 2.549 . 0 0 "[ . 1 . 2]" 1
747 1 86 GLN H 1 88 GLN H . . 3.520 3.599 3.427 3.699 0.179 16 0 "[ . 1 . 2]" 1
748 1 86 GLN HA 1 87 CYS H . . 3.270 3.469 3.427 3.510 0.240 20 0 "[ . 1 . 2]" 1
749 1 86 GLN QB 1 87 CYS H . . 4.300 2.531 2.199 3.654 . 0 0 "[ . 1 . 2]" 1
750 1 86 GLN QG 1 87 CYS H . . 6.320 3.845 2.806 4.272 . 0 0 "[ . 1 . 2]" 1
751 1 87 CYS H 1 87 CYS HA . . 2.860 2.888 2.865 2.915 0.055 2 0 "[ . 1 . 2]" 1
752 1 87 CYS H 1 87 CYS HB2 . . 2.860 2.258 2.096 2.431 . 0 0 "[ . 1 . 2]" 1
753 1 87 CYS H 1 87 CYS HB3 . . 3.450 2.879 2.391 3.542 0.092 11 0 "[ . 1 . 2]" 1
754 1 87 CYS HA 1 88 GLN H . . 4.040 3.506 3.465 3.538 . 0 0 "[ . 1 . 2]" 1
755 1 87 CYS HB2 1 88 GLN H . . 3.670 3.746 3.006 3.859 0.189 4 0 "[ . 1 . 2]" 1
756 1 88 GLN H 1 88 GLN HA . . 3.110 2.859 2.783 2.906 . 0 0 "[ . 1 . 2]" 1
757 1 88 GLN H 1 88 GLN HB2 . . 3.640 2.455 2.210 3.685 0.045 15 0 "[ . 1 . 2]" 1
758 1 88 GLN H 1 88 GLN HB3 . . 3.580 2.975 2.473 3.635 0.055 4 0 "[ . 1 . 2]" 1
759 1 88 GLN H 1 88 GLN HG2 . . 5.500 4.164 2.866 4.624 . 0 0 "[ . 1 . 2]" 1
760 1 88 GLN H 1 88 GLN HG3 . . 5.440 3.893 2.121 4.539 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 2:39:49 PM GMT (wattos1)