NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622339 |
5vso   |
30293 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5vso
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 1230
_Distance_constraint_stats_list.Viol_count 2550
_Distance_constraint_stats_list.Viol_total 5898.801
_Distance_constraint_stats_list.Viol_max 0.642
_Distance_constraint_stats_list.Viol_rms 0.0476
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.1157
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 LYS 0.078 0.078 12 0 "[ . 1 . 2]"
1 9 GLU 1.082 0.526 9 1 "[ . +1 . 2]"
1 10 THR 2.809 0.383 14 0 "[ . 1 . 2]"
1 11 LYS 9.569 0.539 11 2 "[ . -1+ . 2]"
1 12 PHE 9.525 0.539 11 1 "[ . 1+ . 2]"
1 13 TYR 4.010 0.362 17 0 "[ . 1 . 2]"
1 14 ASP 5.453 0.327 4 0 "[ . 1 . 2]"
1 15 ILE 10.587 0.327 4 0 "[ . 1 . 2]"
1 16 LEU 4.463 0.175 1 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 3.054 0.191 15 0 "[ . 1 . 2]"
1 19 PRO 9.741 0.346 15 0 "[ . 1 . 2]"
1 20 VAL 3.645 0.362 17 0 "[ . 1 . 2]"
1 21 THR 5.217 0.346 15 0 "[ . 1 . 2]"
1 22 ALA 0.941 0.127 2 0 "[ . 1 . 2]"
1 23 THR 2.314 0.380 6 0 "[ . 1 . 2]"
1 24 ASP 10.405 0.484 13 0 "[ . 1 . 2]"
1 25 VAL 5.481 0.484 13 0 "[ . 1 . 2]"
1 26 GLU 5.259 0.191 15 0 "[ . 1 . 2]"
1 27 ILE 8.801 0.263 7 0 "[ . 1 . 2]"
1 28 LYS 11.161 0.642 3 1 "[ + . 1 . 2]"
1 29 LYS 13.677 0.348 18 0 "[ . 1 . 2]"
1 30 ALA 11.161 0.366 3 0 "[ . 1 . 2]"
1 31 TYR 1.871 0.192 10 0 "[ . 1 . 2]"
1 32 ARG 13.352 0.642 3 1 "[ + . 1 . 2]"
1 33 LYS 18.000 0.345 5 0 "[ . 1 . 2]"
1 34 CYS 8.979 0.336 16 0 "[ . 1 . 2]"
1 35 ALA 3.595 0.285 20 0 "[ . 1 . 2]"
1 36 LEU 3.596 0.196 18 0 "[ . 1 . 2]"
1 37 LYS 13.983 0.321 10 0 "[ . 1 . 2]"
1 38 TYR 16.112 0.406 18 0 "[ . 1 . 2]"
1 39 HIS 10.972 0.323 9 0 "[ . 1 . 2]"
1 40 PRO 1.196 0.182 6 0 "[ . 1 . 2]"
1 41 ASP 0.326 0.161 1 0 "[ . 1 . 2]"
1 42 LYS 4.419 0.197 4 0 "[ . 1 . 2]"
1 43 ASN 8.860 0.406 18 0 "[ . 1 . 2]"
1 44 PRO 1.119 0.182 6 0 "[ . 1 . 2]"
1 45 SER 16.458 0.561 17 9 "[* *-. *** . +* *]"
1 46 GLU 12.347 0.561 17 9 "[* *-. *** . +* *]"
1 47 GLU 13.640 0.355 19 0 "[ . 1 . 2]"
1 48 ALA 17.144 0.418 15 0 "[ . 1 . 2]"
1 49 ALA 13.996 0.358 15 0 "[ . 1 . 2]"
1 50 GLU 13.697 0.418 15 0 "[ . 1 . 2]"
1 51 LYS 14.286 0.342 17 0 "[ . 1 . 2]"
1 52 PHE 9.423 0.393 11 0 "[ . 1 . 2]"
1 53 LYS 1.754 0.393 11 0 "[ . 1 . 2]"
1 54 GLU 4.182 0.302 5 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 4.308 0.257 8 0 "[ . 1 . 2]"
1 57 ALA 10.013 0.427 3 0 "[ . 1 . 2]"
1 58 ALA 10.610 0.259 17 0 "[ . 1 . 2]"
1 59 TYR 7.726 0.178 5 0 "[ . 1 . 2]"
1 60 GLU 10.695 0.427 3 0 "[ . 1 . 2]"
1 61 ILE 20.947 0.339 14 0 "[ . 1 . 2]"
1 62 LEU 19.446 0.339 14 0 "[ . 1 . 2]"
1 63 SER 9.070 0.289 14 0 "[ . 1 . 2]"
1 64 ASP 4.531 0.321 16 0 "[ . 1 . 2]"
1 65 PRO 16.535 0.440 3 0 "[ . 1 . 2]"
1 66 GLU 11.595 0.289 10 0 "[ . 1 . 2]"
1 67 LYS 29.600 0.440 3 0 "[ . 1 . 2]"
1 68 ARG 12.398 0.321 16 0 "[ . 1 . 2]"
1 69 ASP 7.201 0.331 2 0 "[ . 1 . 2]"
1 70 ILE 10.575 0.331 2 0 "[ . 1 . 2]"
1 71 TYR 7.630 0.430 16 0 "[ . 1 . 2]"
1 72 ASP 0.297 0.232 5 0 "[ . 1 . 2]"
1 73 GLN 8.186 0.595 1 1 "[+ . 1 . 2]"
1 74 PHE 2.767 0.232 5 0 "[ . 1 . 2]"
1 75 GLY 4.687 0.325 6 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 8 LYS HA 1 11 LYS HG3 . . 5.500 4.245 2.908 5.578 0.078 12 0 "[ . 1 . 2]" 1
2 1 9 GLU HA 1 10 THR H . . 3.500 2.244 2.089 2.577 . 0 0 "[ . 1 . 2]" 1
3 1 9 GLU HB2 1 10 THR H . . 4.300 3.826 2.071 4.241 . 0 0 "[ . 1 . 2]" 1
4 1 9 GLU HB3 1 10 THR H . . 4.180 3.820 2.489 4.224 0.044 11 0 "[ . 1 . 2]" 1
5 1 9 GLU HG2 1 11 LYS H . . 5.000 4.877 4.534 5.526 0.526 9 1 "[ . +1 . 2]" 1
6 1 9 GLU HG3 1 10 THR H . . 5.450 3.374 2.306 4.792 . 0 0 "[ . 1 . 2]" 1
7 1 10 THR H 1 10 THR MG . . 3.550 3.155 2.620 3.933 0.383 14 0 "[ . 1 . 2]" 1
8 1 10 THR H 1 11 LYS H . . 3.410 2.697 2.208 3.225 . 0 0 "[ . 1 . 2]" 1
9 1 10 THR H 1 11 LYS HA . . 5.530 5.206 4.536 5.569 0.039 5 0 "[ . 1 . 2]" 1
10 1 10 THR H 1 11 LYS HB2 . . 5.400 4.837 4.474 5.155 . 0 0 "[ . 1 . 2]" 1
11 1 10 THR H 1 11 LYS HG3 . . 5.800 4.709 3.210 5.828 0.028 18 0 "[ . 1 . 2]" 1
12 1 10 THR H 1 13 TYR H . . 5.650 5.042 4.235 5.781 0.131 8 0 "[ . 1 . 2]" 1
13 1 10 THR H 1 13 TYR QD . . 5.500 4.044 2.684 5.059 . 0 0 "[ . 1 . 2]" 1
14 1 10 THR H 1 20 VAL QG . . 7.300 4.835 3.695 6.083 . 0 0 "[ . 1 . 2]" 1
15 1 10 THR HA 1 11 LYS H . . 5.230 3.021 2.416 3.469 . 0 0 "[ . 1 . 2]" 1
16 1 10 THR HA 1 13 TYR H . . 4.580 3.438 3.149 3.987 . 0 0 "[ . 1 . 2]" 1
17 1 10 THR HA 1 13 TYR QD . . 5.110 2.111 1.780 3.121 . 0 0 "[ . 1 . 2]" 1
18 1 10 THR HB 1 20 VAL QG . . 5.540 3.132 2.011 5.670 0.130 5 0 "[ . 1 . 2]" 1
19 1 10 THR MG 1 11 LYS H . . 5.460 4.146 3.731 4.333 . 0 0 "[ . 1 . 2]" 1
20 1 10 THR MG 1 13 TYR QD . . 5.410 2.800 2.094 3.531 . 0 0 "[ . 1 . 2]" 1
21 1 10 THR MG 1 14 ASP H . . 6.000 4.612 2.576 5.824 . 0 0 "[ . 1 . 2]" 1
22 1 11 LYS H 1 11 LYS HB2 . . 3.600 2.485 2.418 2.608 . 0 0 "[ . 1 . 2]" 1
23 1 11 LYS H 1 11 LYS HB3 . . 4.200 3.612 3.529 3.656 . 0 0 "[ . 1 . 2]" 1
24 1 11 LYS H 1 11 LYS HG2 . . 4.400 3.247 2.051 3.661 . 0 0 "[ . 1 . 2]" 1
25 1 11 LYS H 1 11 LYS HG3 . . 3.800 2.570 2.015 3.608 . 0 0 "[ . 1 . 2]" 1
26 1 11 LYS H 1 12 PHE H . . 4.500 2.762 2.649 2.869 . 0 0 "[ . 1 . 2]" 1
27 1 11 LYS H 1 13 TYR H . . 5.630 4.197 3.978 4.717 . 0 0 "[ . 1 . 2]" 1
28 1 11 LYS H 1 13 TYR QD . . 5.900 4.616 4.042 5.559 . 0 0 "[ . 1 . 2]" 1
29 1 11 LYS H 1 14 ASP HB2 . . 5.370 4.953 4.805 5.454 0.084 5 0 "[ . 1 . 2]" 1
30 1 11 LYS H 1 15 ILE H . . 5.800 5.911 5.835 6.005 0.205 5 0 "[ . 1 . 2]" 1
31 1 11 LYS HA 1 11 LYS HE2 . . 5.540 4.679 4.098 5.591 0.051 13 0 "[ . 1 . 2]" 1
32 1 11 LYS HA 1 12 PHE H . . 4.490 3.496 3.423 3.551 . 0 0 "[ . 1 . 2]" 1
33 1 11 LYS HA 1 13 TYR H . . 5.180 4.249 3.952 4.429 . 0 0 "[ . 1 . 2]" 1
34 1 11 LYS HA 1 14 ASP H . . 4.440 3.493 3.097 3.884 . 0 0 "[ . 1 . 2]" 1
35 1 11 LYS HA 1 14 ASP HB2 . . 4.650 2.620 2.102 3.050 . 0 0 "[ . 1 . 2]" 1
36 1 11 LYS HA 1 15 ILE H . . 4.970 3.870 3.694 4.082 . 0 0 "[ . 1 . 2]" 1
37 1 11 LYS HB2 1 12 PHE H . . 4.210 2.743 2.374 3.020 . 0 0 "[ . 1 . 2]" 1
38 1 11 LYS HB2 1 12 PHE HA . . 5.250 4.303 4.128 4.450 . 0 0 "[ . 1 . 2]" 1
39 1 11 LYS HB2 1 12 PHE QD . . 5.340 4.478 3.968 5.090 . 0 0 "[ . 1 . 2]" 1
40 1 11 LYS HB2 1 13 TYR H . . 5.000 5.002 4.735 5.322 0.322 5 0 "[ . 1 . 2]" 1
41 1 11 LYS HB3 1 12 PHE H . . 3.910 3.642 3.428 3.956 0.046 5 0 "[ . 1 . 2]" 1
42 1 11 LYS HB3 1 12 PHE QD . . 5.650 5.038 4.718 5.632 . 0 0 "[ . 1 . 2]" 1
43 1 11 LYS HB3 1 14 ASP HB2 . . 5.030 4.622 3.760 5.280 0.250 19 0 "[ . 1 . 2]" 1
44 1 11 LYS HB3 1 15 ILE HB . . 4.960 5.023 4.899 5.152 0.192 1 0 "[ . 1 . 2]" 1
45 1 11 LYS HE2 1 11 LYS HG3 . . 4.390 3.211 2.500 4.247 . 0 0 "[ . 1 . 2]" 1
46 1 11 LYS HG2 1 12 PHE H . . 5.450 4.906 4.160 5.146 . 0 0 "[ . 1 . 2]" 1
47 1 11 LYS HG3 1 12 PHE H . . 4.400 4.548 4.407 4.939 0.539 11 1 "[ . 1+ . 2]" 1
48 1 11 LYS O 1 15 ILE H . . 2.200 1.828 1.747 1.965 . 0 0 "[ . 1 . 2]" 1
49 1 11 LYS O 1 15 ILE N . . 3.300 2.757 2.685 2.885 . 0 0 "[ . 1 . 2]" 1
50 1 12 PHE H 1 12 PHE HB2 . . 4.080 2.324 2.255 2.358 . 0 0 "[ . 1 . 2]" 1
51 1 12 PHE H 1 12 PHE HB3 . . 3.890 3.586 3.537 3.620 . 0 0 "[ . 1 . 2]" 1
52 1 12 PHE H 1 12 PHE QD . . 5.040 3.391 3.298 3.575 . 0 0 "[ . 1 . 2]" 1
53 1 12 PHE H 1 12 PHE QE . . 5.880 5.072 4.950 5.296 . 0 0 "[ . 1 . 2]" 1
54 1 12 PHE H 1 13 TYR H . . 4.050 2.523 2.461 2.693 . 0 0 "[ . 1 . 2]" 1
55 1 12 PHE H 1 15 ILE HB . . 4.800 4.953 4.888 5.055 0.255 14 0 "[ . 1 . 2]" 1
56 1 12 PHE H 1 15 ILE MD . . 5.100 4.143 4.028 4.261 . 0 0 "[ . 1 . 2]" 1
57 1 12 PHE H 1 58 ALA MB . . 5.800 5.047 4.818 5.286 . 0 0 "[ . 1 . 2]" 1
58 1 12 PHE H 1 62 LEU MD1 . . 6.200 4.588 4.352 4.779 . 0 0 "[ . 1 . 2]" 1
59 1 12 PHE H 1 71 TYR QE . . 4.800 3.431 2.875 4.404 . 0 0 "[ . 1 . 2]" 1
60 1 12 PHE HA 1 12 PHE QD . . 4.150 2.106 2.018 2.190 . 0 0 "[ . 1 . 2]" 1
61 1 12 PHE HA 1 12 PHE QE . . 4.500 4.185 4.136 4.214 . 0 0 "[ . 1 . 2]" 1
62 1 12 PHE HA 1 13 TYR H . . 4.380 3.481 3.451 3.548 . 0 0 "[ . 1 . 2]" 1
63 1 12 PHE HA 1 15 ILE H . . 5.150 3.256 3.126 3.387 . 0 0 "[ . 1 . 2]" 1
64 1 12 PHE HA 1 15 ILE HA . . 5.320 5.177 5.050 5.328 0.008 14 0 "[ . 1 . 2]" 1
65 1 12 PHE HA 1 15 ILE HB . . 3.810 2.420 2.309 2.600 . 0 0 "[ . 1 . 2]" 1
66 1 12 PHE HA 1 15 ILE MD . . 4.530 2.431 2.295 2.639 . 0 0 "[ . 1 . 2]" 1
67 1 12 PHE HA 1 15 ILE QG . . 4.900 3.468 3.335 3.632 . 0 0 "[ . 1 . 2]" 1
68 1 12 PHE HA 1 15 ILE HG13 . . 3.940 3.567 3.422 3.744 . 0 0 "[ . 1 . 2]" 1
69 1 12 PHE HA 1 15 ILE MG . . 4.900 3.789 3.679 3.930 . 0 0 "[ . 1 . 2]" 1
70 1 12 PHE HA 1 16 LEU MD2 . . 7.160 5.519 5.379 5.706 . 0 0 "[ . 1 . 2]" 1
71 1 12 PHE HA 1 58 ALA MB . . 4.120 3.095 2.962 3.283 . 0 0 "[ . 1 . 2]" 1
72 1 12 PHE HB2 1 13 TYR H . . 5.510 3.065 2.969 3.118 . 0 0 "[ . 1 . 2]" 1
73 1 12 PHE HB2 1 58 ALA MB . . 5.000 3.826 3.511 4.174 . 0 0 "[ . 1 . 2]" 1
74 1 12 PHE HB2 1 61 ILE QG . . 5.160 4.497 4.284 4.985 . 0 0 "[ . 1 . 2]" 1
75 1 12 PHE HB2 1 62 LEU MD1 . . 5.280 3.002 2.781 3.264 . 0 0 "[ . 1 . 2]" 1
76 1 12 PHE HB2 1 62 LEU MD2 . . 5.470 3.501 3.320 3.727 . 0 0 "[ . 1 . 2]" 1
77 1 12 PHE HB3 1 13 TYR H . . 4.790 3.655 3.430 3.763 . 0 0 "[ . 1 . 2]" 1
78 1 12 PHE HB3 1 15 ILE H . . 5.390 5.313 5.189 5.383 . 0 0 "[ . 1 . 2]" 1
79 1 12 PHE HB3 1 58 ALA MB . . 5.160 2.318 2.032 2.708 . 0 0 "[ . 1 . 2]" 1
80 1 12 PHE HB3 1 62 LEU MD1 . . 5.050 2.132 2.014 2.347 . 0 0 "[ . 1 . 2]" 1
81 1 12 PHE HB3 1 62 LEU MD2 . . 5.410 3.527 3.269 3.723 . 0 0 "[ . 1 . 2]" 1
82 1 12 PHE QD 1 15 ILE HB . . 4.800 3.244 3.043 3.449 . 0 0 "[ . 1 . 2]" 1
83 1 12 PHE QD 1 15 ILE MD . . 5.050 2.688 2.507 2.940 . 0 0 "[ . 1 . 2]" 1
84 1 12 PHE QD 1 58 ALA H . . 4.940 3.601 3.329 3.884 . 0 0 "[ . 1 . 2]" 1
85 1 12 PHE QD 1 58 ALA HA . . 3.890 3.131 2.890 3.409 . 0 0 "[ . 1 . 2]" 1
86 1 12 PHE QD 1 58 ALA MB . . 4.000 1.858 1.816 1.939 . 0 0 "[ . 1 . 2]" 1
87 1 12 PHE QD 1 61 ILE QG . . 5.010 4.004 3.801 4.199 . 0 0 "[ . 1 . 2]" 1
88 1 12 PHE QD 1 61 ILE MG . . 6.300 4.909 4.673 5.194 . 0 0 "[ . 1 . 2]" 1
89 1 12 PHE QD 1 62 LEU MD1 . . 5.200 3.911 3.808 4.069 . 0 0 "[ . 1 . 2]" 1
90 1 12 PHE QD 1 62 LEU MD2 . . 5.800 4.415 4.215 4.695 . 0 0 "[ . 1 . 2]" 1
91 1 12 PHE QE 1 15 ILE HB . . 6.200 5.058 4.880 5.231 . 0 0 "[ . 1 . 2]" 1
92 1 12 PHE QE 1 15 ILE MD . . 5.600 3.303 3.065 3.595 . 0 0 "[ . 1 . 2]" 1
93 1 12 PHE QE 1 15 ILE MG . . 5.500 4.247 4.038 4.560 . 0 0 "[ . 1 . 2]" 1
94 1 12 PHE QE 1 57 ALA MB . . 3.460 2.523 2.133 2.779 . 0 0 "[ . 1 . 2]" 1
95 1 12 PHE QE 1 58 ALA H . . 4.790 3.378 3.186 3.607 . 0 0 "[ . 1 . 2]" 1
96 1 12 PHE QE 1 58 ALA HA . . 4.500 3.876 3.572 4.099 . 0 0 "[ . 1 . 2]" 1
97 1 12 PHE QE 1 61 ILE H . . 6.500 6.163 6.019 6.392 . 0 0 "[ . 1 . 2]" 1
98 1 12 PHE QE 1 61 ILE QG . . 4.800 4.426 4.297 4.555 . 0 0 "[ . 1 . 2]" 1
99 1 12 PHE QE 1 61 ILE MG . . 6.000 4.586 4.420 4.790 . 0 0 "[ . 1 . 2]" 1
100 1 12 PHE HZ 1 15 ILE MD . . 6.200 4.805 4.586 5.136 . 0 0 "[ . 1 . 2]" 1
101 1 12 PHE HZ 1 57 ALA MB . . 4.520 2.909 2.716 3.062 . 0 0 "[ . 1 . 2]" 1
102 1 12 PHE HZ 1 58 ALA H . . 4.790 4.956 4.891 5.012 0.222 18 0 "[ . 1 . 2]" 1
103 1 12 PHE HZ 1 58 ALA HA . . 4.970 4.853 4.555 4.993 0.023 11 0 "[ . 1 . 2]" 1
104 1 12 PHE HZ 1 61 ILE QG . . 5.600 5.286 5.049 5.470 . 0 0 "[ . 1 . 2]" 1
105 1 12 PHE HZ 1 61 ILE MG . . 6.400 5.575 5.297 5.953 . 0 0 "[ . 1 . 2]" 1
106 1 12 PHE O 1 16 LEU H . . 2.200 2.144 2.012 2.243 0.043 8 0 "[ . 1 . 2]" 1
107 1 12 PHE O 1 16 LEU N . . 3.300 3.122 2.989 3.223 . 0 0 "[ . 1 . 2]" 1
108 1 13 TYR H 1 13 TYR HB2 . . 4.160 2.569 2.448 3.747 . 0 0 "[ . 1 . 2]" 1
109 1 13 TYR H 1 13 TYR HB3 . . 3.840 3.601 2.783 3.672 . 0 0 "[ . 1 . 2]" 1
110 1 13 TYR H 1 13 TYR QD . . 4.400 2.692 2.308 3.002 . 0 0 "[ . 1 . 2]" 1
111 1 13 TYR H 1 14 ASP H . . 3.580 2.471 2.290 2.586 . 0 0 "[ . 1 . 2]" 1
112 1 13 TYR H 1 15 ILE H . . 4.700 3.941 3.857 3.997 . 0 0 "[ . 1 . 2]" 1
113 1 13 TYR H 1 15 ILE HB . . 5.080 4.944 4.849 5.051 . 0 0 "[ . 1 . 2]" 1
114 1 13 TYR H 1 16 LEU H . . 5.630 4.880 4.777 4.936 . 0 0 "[ . 1 . 2]" 1
115 1 13 TYR H 1 20 VAL HA . . 5.340 5.446 5.317 5.585 0.245 5 0 "[ . 1 . 2]" 1
116 1 13 TYR H 1 20 VAL MG1 . . 7.300 6.002 4.287 7.321 0.021 11 0 "[ . 1 . 2]" 1
117 1 13 TYR H 1 62 LEU MD1 . . 4.830 3.565 3.352 3.717 . 0 0 "[ . 1 . 2]" 1
118 1 13 TYR H 1 71 TYR QE . . 5.000 3.546 2.844 5.019 0.019 17 0 "[ . 1 . 2]" 1
119 1 13 TYR HA 1 14 ASP H . . 4.480 3.517 3.454 3.548 . 0 0 "[ . 1 . 2]" 1
120 1 13 TYR HA 1 16 LEU H . . 4.450 3.735 3.419 3.819 . 0 0 "[ . 1 . 2]" 1
121 1 13 TYR HA 1 16 LEU HB2 . . 4.840 3.173 2.806 3.270 . 0 0 "[ . 1 . 2]" 1
122 1 13 TYR HA 1 16 LEU HB3 . . 4.870 4.855 4.509 4.929 0.059 7 0 "[ . 1 . 2]" 1
123 1 13 TYR HA 1 18 VAL H . . 4.870 3.615 3.530 3.703 . 0 0 "[ . 1 . 2]" 1
124 1 13 TYR HA 1 18 VAL MG2 . . 4.330 2.159 2.046 2.329 . 0 0 "[ . 1 . 2]" 1
125 1 13 TYR HA 1 22 ALA MB . . 5.260 4.549 4.224 4.737 . 0 0 "[ . 1 . 2]" 1
126 1 13 TYR HA 1 58 ALA MB . . 5.430 4.518 4.182 4.684 . 0 0 "[ . 1 . 2]" 1
127 1 13 TYR HA 1 62 LEU MD1 . . 5.310 2.781 2.612 2.974 . 0 0 "[ . 1 . 2]" 1
128 1 13 TYR HB2 1 14 ASP H . . 4.280 2.508 2.335 3.907 . 0 0 "[ . 1 . 2]" 1
129 1 13 TYR HB2 1 20 VAL H . . 5.630 4.793 4.537 5.060 . 0 0 "[ . 1 . 2]" 1
130 1 13 TYR HB2 1 20 VAL HA . . 3.770 3.598 3.398 3.719 . 0 0 "[ . 1 . 2]" 1
131 1 13 TYR HB2 1 20 VAL MG1 . . 5.500 4.708 2.487 5.535 0.035 11 0 "[ . 1 . 2]" 1
132 1 13 TYR HB2 1 20 VAL MG2 . . 4.600 3.526 3.110 4.962 0.362 17 0 "[ . 1 . 2]" 1
133 1 13 TYR HB3 1 14 ASP H . . 5.180 3.525 3.392 3.941 . 0 0 "[ . 1 . 2]" 1
134 1 13 TYR HB3 1 18 VAL MG2 . . 4.600 2.529 2.405 3.014 . 0 0 "[ . 1 . 2]" 1
135 1 13 TYR HB3 1 20 VAL HA . . 5.000 3.196 2.876 3.431 . 0 0 "[ . 1 . 2]" 1
136 1 13 TYR HB3 1 20 VAL MG1 . . 5.800 4.881 3.130 5.386 . 0 0 "[ . 1 . 2]" 1
137 1 13 TYR HB3 1 20 VAL QG . . 5.000 3.667 3.098 4.425 . 0 0 "[ . 1 . 2]" 1
138 1 13 TYR QD 1 14 ASP H . . 5.230 3.927 3.115 4.149 . 0 0 "[ . 1 . 2]" 1
139 1 13 TYR QD 1 18 VAL MG2 . . 4.290 2.097 1.859 3.591 . 0 0 "[ . 1 . 2]" 1
140 1 13 TYR QD 1 20 VAL HA . . 3.630 2.948 2.656 3.184 . 0 0 "[ . 1 . 2]" 1
141 1 13 TYR QD 1 20 VAL MG1 . . 5.090 3.614 2.486 5.014 . 0 0 "[ . 1 . 2]" 1
142 1 13 TYR QD 1 20 VAL QG . . 5.560 2.877 2.477 3.224 . 0 0 "[ . 1 . 2]" 1
143 1 13 TYR QD 1 62 LEU MD1 . . 5.000 3.170 2.862 4.448 . 0 0 "[ . 1 . 2]" 1
144 1 13 TYR QD 1 62 LEU MD2 . . 5.750 3.431 3.167 4.525 . 0 0 "[ . 1 . 2]" 1
145 1 13 TYR O 1 17 GLY H . . 2.200 2.026 1.962 2.080 . 0 0 "[ . 1 . 2]" 1
146 1 13 TYR O 1 17 GLY N . . 3.300 2.817 2.751 2.872 . 0 0 "[ . 1 . 2]" 1
147 1 14 ASP H 1 14 ASP HB3 . . 3.880 3.342 2.557 3.590 . 0 0 "[ . 1 . 2]" 1
148 1 14 ASP H 1 15 ILE H . . 3.770 2.796 2.755 2.840 . 0 0 "[ . 1 . 2]" 1
149 1 14 ASP H 1 15 ILE HB . . 5.580 4.806 4.688 4.893 . 0 0 "[ . 1 . 2]" 1
150 1 14 ASP H 1 18 VAL H . . 5.230 5.115 4.882 5.265 0.035 15 0 "[ . 1 . 2]" 1
151 1 14 ASP H 1 20 VAL HA . . 6.000 6.026 5.736 6.117 0.117 16 0 "[ . 1 . 2]" 1
152 1 14 ASP HA 1 15 ILE H . . 4.310 3.526 3.506 3.545 . 0 0 "[ . 1 . 2]" 1
153 1 14 ASP HA 1 16 LEU H . . 5.000 4.807 4.665 4.898 . 0 0 "[ . 1 . 2]" 1
154 1 14 ASP HA 1 17 GLY H . . 4.000 3.393 3.133 3.569 . 0 0 "[ . 1 . 2]" 1
155 1 14 ASP HA 1 17 GLY QA . . 5.500 3.560 3.179 3.759 . 0 0 "[ . 1 . 2]" 1
156 1 14 ASP HA 1 18 VAL H . . 4.480 4.201 3.792 4.442 . 0 0 "[ . 1 . 2]" 1
157 1 14 ASP HB2 1 15 ILE H . . 3.990 2.886 2.468 3.797 . 0 0 "[ . 1 . 2]" 1
158 1 14 ASP HB3 1 15 ILE H . . 4.040 3.130 2.332 3.442 . 0 0 "[ . 1 . 2]" 1
159 1 14 ASP HB3 1 15 ILE HB . . 5.250 5.272 4.502 5.577 0.327 4 0 "[ . 1 . 2]" 1
160 1 14 ASP HB3 1 17 GLY H . . 5.400 5.166 4.969 5.307 . 0 0 "[ . 1 . 2]" 1
161 1 15 ILE H 1 15 ILE HB . . 3.400 2.334 2.282 2.401 . 0 0 "[ . 1 . 2]" 1
162 1 15 ILE H 1 15 ILE MD . . 4.170 3.527 3.456 3.560 . 0 0 "[ . 1 . 2]" 1
163 1 15 ILE H 1 15 ILE HG12 . . 4.910 3.674 3.598 3.710 . 0 0 "[ . 1 . 2]" 1
164 1 15 ILE H 1 15 ILE QG . . 3.930 2.314 2.224 2.357 . 0 0 "[ . 1 . 2]" 1
165 1 15 ILE H 1 15 ILE HG13 . . 4.600 2.339 2.246 2.384 . 0 0 "[ . 1 . 2]" 1
166 1 15 ILE H 1 15 ILE MG . . 4.340 3.727 3.695 3.756 . 0 0 "[ . 1 . 2]" 1
167 1 15 ILE H 1 16 LEU H . . 3.960 2.870 2.844 2.908 . 0 0 "[ . 1 . 2]" 1
168 1 15 ILE H 1 16 LEU HA . . 5.370 5.388 5.361 5.405 0.035 17 0 "[ . 1 . 2]" 1
169 1 15 ILE H 1 17 GLY H . . 4.770 3.888 3.793 3.948 . 0 0 "[ . 1 . 2]" 1
170 1 15 ILE HA 1 16 LEU H . . 4.880 3.573 3.563 3.584 . 0 0 "[ . 1 . 2]" 1
171 1 15 ILE HA 1 16 LEU MD2 . . 6.500 5.438 5.359 5.503 . 0 0 "[ . 1 . 2]" 1
172 1 15 ILE HB 1 16 LEU H . . 5.450 2.521 2.439 2.578 . 0 0 "[ . 1 . 2]" 1
173 1 15 ILE MD 1 16 LEU H . . 5.440 4.507 4.428 4.560 . 0 0 "[ . 1 . 2]" 1
174 1 15 ILE MD 1 54 GLU HG2 . . 5.200 3.477 2.676 4.404 . 0 0 "[ . 1 . 2]" 1
175 1 15 ILE MD 1 54 GLU HG3 . . 5.000 3.933 2.790 4.394 . 0 0 "[ . 1 . 2]" 1
176 1 15 ILE MD 1 55 ALA H . . 6.400 4.966 4.444 5.204 . 0 0 "[ . 1 . 2]" 1
177 1 15 ILE MD 1 58 ALA H . . 6.170 5.190 4.972 5.440 . 0 0 "[ . 1 . 2]" 1
178 1 15 ILE MD 1 58 ALA HA . . 6.670 5.498 5.210 5.991 . 0 0 "[ . 1 . 2]" 1
179 1 15 ILE MD 1 58 ALA MB . . 6.000 3.714 3.553 3.972 . 0 0 "[ . 1 . 2]" 1
180 1 15 ILE MG 1 16 LEU H . . 3.740 2.924 2.847 2.972 . 0 0 "[ . 1 . 2]" 1
181 1 15 ILE MG 1 51 LYS QG . . 7.470 4.444 3.891 5.539 . 0 0 "[ . 1 . 2]" 1
182 1 15 ILE MG 1 54 GLU HG2 . . 5.760 4.191 3.471 4.932 . 0 0 "[ . 1 . 2]" 1
183 1 15 ILE MG 1 55 ALA H . . 4.300 3.550 3.262 3.777 . 0 0 "[ . 1 . 2]" 1
184 1 15 ILE MG 1 55 ALA HA . . 5.470 2.806 2.554 3.065 . 0 0 "[ . 1 . 2]" 1
185 1 15 ILE MG 1 57 ALA H . . 7.350 5.681 5.418 5.880 . 0 0 "[ . 1 . 2]" 1
186 1 15 ILE MG 1 58 ALA MB . . 5.270 3.224 2.990 3.594 . 0 0 "[ . 1 . 2]" 1
187 1 15 ILE MG 1 59 TYR H . . 6.500 5.763 5.563 5.995 . 0 0 "[ . 1 . 2]" 1
188 1 16 LEU H 1 16 LEU HB3 . . 4.070 3.635 3.614 3.650 . 0 0 "[ . 1 . 2]" 1
189 1 16 LEU H 1 16 LEU MD1 . . 5.200 3.750 3.721 3.783 . 0 0 "[ . 1 . 2]" 1
190 1 16 LEU H 1 16 LEU MD2 . . 3.740 3.461 3.398 3.508 . 0 0 "[ . 1 . 2]" 1
191 1 16 LEU H 1 16 LEU HG . . 3.990 2.527 2.465 2.569 . 0 0 "[ . 1 . 2]" 1
192 1 16 LEU H 1 17 GLY H . . 3.450 2.719 2.656 2.766 . 0 0 "[ . 1 . 2]" 1
193 1 16 LEU H 1 18 VAL H . . 4.370 4.024 3.947 4.101 . 0 0 "[ . 1 . 2]" 1
194 1 16 LEU H 1 55 ALA MB . . 6.800 5.328 4.853 5.641 . 0 0 "[ . 1 . 2]" 1
195 1 16 LEU H 1 58 ALA MB . . 4.530 3.714 3.562 3.935 . 0 0 "[ . 1 . 2]" 1
196 1 16 LEU H 1 62 LEU MD1 . . 5.640 4.249 4.045 4.370 . 0 0 "[ . 1 . 2]" 1
197 1 16 LEU HA 1 17 GLY H . . 3.690 3.474 3.451 3.499 . 0 0 "[ . 1 . 2]" 1
198 1 16 LEU HA 1 18 VAL H . . 4.600 4.619 4.517 4.775 0.175 1 0 "[ . 1 . 2]" 1
199 1 16 LEU HA 1 30 ALA MB . . 4.430 3.127 2.992 3.270 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU HA 1 34 CYS H . . 5.500 5.308 5.125 5.503 0.003 17 0 "[ . 1 . 2]" 1
201 1 16 LEU HB2 1 17 GLY H . . 4.160 3.072 3.027 3.122 . 0 0 "[ . 1 . 2]" 1
202 1 16 LEU HB2 1 18 VAL MG2 . . 5.000 1.993 1.934 2.049 . 0 0 "[ . 1 . 2]" 1
203 1 16 LEU HB3 1 17 GLY H . . 5.420 3.864 3.831 3.895 . 0 0 "[ . 1 . 2]" 1
204 1 16 LEU HB3 1 18 VAL MG1 . . 5.000 2.544 2.410 2.798 . 0 0 "[ . 1 . 2]" 1
205 1 16 LEU HB3 1 18 VAL MG2 . . 5.000 2.950 2.874 2.995 . 0 0 "[ . 1 . 2]" 1
206 1 16 LEU HB3 1 31 TYR HA . . 5.510 4.609 4.415 4.842 . 0 0 "[ . 1 . 2]" 1
207 1 16 LEU MD1 1 27 ILE H . . 6.200 5.142 4.935 5.342 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU MD1 1 30 ALA H . . 6.100 4.752 4.579 4.884 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU MD1 1 31 TYR H . . 4.390 3.662 3.452 3.863 . 0 0 "[ . 1 . 2]" 1
210 1 16 LEU MD1 1 31 TYR HB3 . . 4.700 4.475 4.304 4.712 0.012 6 0 "[ . 1 . 2]" 1
211 1 16 LEU MD1 1 31 TYR QD . . 6.000 4.312 4.080 4.671 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU MD1 1 55 ALA MB . . 6.000 4.373 4.082 4.630 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU MD1 1 59 TYR H . . 4.390 3.348 3.202 3.426 . 0 0 "[ . 1 . 2]" 1
214 1 16 LEU MD1 1 59 TYR HB2 . . 4.500 3.547 3.341 3.686 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU MD1 1 62 LEU MD1 . . 5.300 1.835 1.801 1.876 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU MD2 1 17 GLY H . . 6.000 4.771 4.755 4.790 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU MD2 1 31 TYR HA . . 5.320 2.242 2.087 2.441 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU MD2 1 31 TYR HB3 . . 5.800 4.006 3.826 4.336 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU MD2 1 31 TYR QD . . 4.800 2.950 2.697 3.222 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU MD2 1 55 ALA HA . . 4.730 2.386 2.189 2.596 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU MD2 1 55 ALA MB . . 4.730 2.341 2.047 2.637 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU MD2 1 56 SER H . . 6.000 4.750 4.633 4.951 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU MD2 1 58 ALA H . . 5.200 4.400 4.272 4.556 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU MD2 1 58 ALA MB . . 4.250 2.385 2.244 2.587 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU MD2 1 59 TYR H . . 4.300 3.421 3.254 3.594 . 0 0 "[ . 1 . 2]" 1
226 1 16 LEU MD2 1 59 TYR HB2 . . 6.320 3.359 3.190 3.508 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU MD2 1 59 TYR HB3 . . 6.000 4.576 4.349 4.769 . 0 0 "[ . 1 . 2]" 1
228 1 16 LEU MD2 1 59 TYR QD . . 6.400 4.295 3.936 4.563 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU MD2 1 62 LEU MD1 . . 5.860 3.904 3.860 3.956 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU HG 1 27 ILE HG12 . . 6.380 5.902 5.692 6.105 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU HG 1 55 ALA HA . . 5.170 3.502 3.224 3.777 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU HG 1 58 ALA MB . . 4.070 2.182 2.073 2.345 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU HG 1 59 TYR H . . 4.550 4.653 4.584 4.710 0.160 15 0 "[ . 1 . 2]" 1
234 1 16 LEU HG 1 59 TYR HA . . 5.520 5.396 5.264 5.540 0.020 15 0 "[ . 1 . 2]" 1
235 1 16 LEU HG 1 62 LEU MD1 . . 4.050 3.108 2.992 3.164 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU HG 1 62 LEU HG . . 5.470 5.505 5.376 5.561 0.091 15 0 "[ . 1 . 2]" 1
237 1 17 GLY H 1 18 VAL H . . 3.330 2.151 2.050 2.269 . 0 0 "[ . 1 . 2]" 1
238 1 17 GLY H 1 18 VAL MG2 . . 4.680 3.338 3.276 3.392 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLY QA 1 18 VAL H . . 3.500 2.801 2.762 2.846 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLY QA 1 18 VAL HA . . 5.420 4.036 4.011 4.060 . 0 0 "[ . 1 . 2]" 1
241 1 18 VAL H 1 18 VAL MG1 . . 3.690 2.689 2.570 2.834 . 0 0 "[ . 1 . 2]" 1
242 1 18 VAL H 1 18 VAL MG2 . . 3.210 1.983 1.880 2.059 . 0 0 "[ . 1 . 2]" 1
243 1 18 VAL H 1 19 PRO HD2 . . 4.830 4.830 4.783 4.877 0.047 15 0 "[ . 1 . 2]" 1
244 1 18 VAL H 1 22 ALA MB . . 5.630 4.716 4.600 4.809 . 0 0 "[ . 1 . 2]" 1
245 1 18 VAL HA 1 19 PRO HB3 . . 5.500 4.924 4.855 4.982 . 0 0 "[ . 1 . 2]" 1
246 1 18 VAL HA 1 19 PRO HD2 . . 3.710 2.418 2.344 2.488 . 0 0 "[ . 1 . 2]" 1
247 1 18 VAL HA 1 19 PRO HD3 . . 5.200 2.474 2.386 2.549 . 0 0 "[ . 1 . 2]" 1
248 1 18 VAL HA 1 19 PRO HG2 . . 4.900 4.543 4.482 4.603 . 0 0 "[ . 1 . 2]" 1
249 1 18 VAL HA 1 26 GLU HA . . 6.000 6.102 6.003 6.191 0.191 15 0 "[ . 1 . 2]" 1
250 1 18 VAL HB 1 19 PRO HD2 . . 4.160 1.989 1.879 2.069 . 0 0 "[ . 1 . 2]" 1
251 1 18 VAL HB 1 22 ALA HA . . 4.850 3.839 3.452 4.037 . 0 0 "[ . 1 . 2]" 1
252 1 18 VAL HB 1 22 ALA MB . . 3.820 1.871 1.790 1.919 . 0 0 "[ . 1 . 2]" 1
253 1 18 VAL MG1 1 19 PRO HD2 . . 4.800 3.058 2.976 3.130 . 0 0 "[ . 1 . 2]" 1
254 1 18 VAL MG1 1 19 PRO HD3 . . 5.400 3.915 3.852 3.967 . 0 0 "[ . 1 . 2]" 1
255 1 18 VAL MG1 1 22 ALA HA . . 6.350 4.790 4.461 4.936 . 0 0 "[ . 1 . 2]" 1
256 1 18 VAL MG1 1 22 ALA MB . . 5.210 2.882 2.811 2.939 . 0 0 "[ . 1 . 2]" 1
257 1 18 VAL MG1 1 27 ILE HA . . 4.300 2.103 1.873 2.349 . 0 0 "[ . 1 . 2]" 1
258 1 18 VAL MG1 1 30 ALA H . . 4.350 3.535 3.431 3.616 . 0 0 "[ . 1 . 2]" 1
259 1 18 VAL MG1 1 30 ALA MB . . 3.840 1.872 1.773 1.927 . 0 0 "[ . 1 . 2]" 1
260 1 18 VAL MG2 1 19 PRO HD2 . . 5.080 3.577 3.489 3.658 . 0 0 "[ . 1 . 2]" 1
261 1 18 VAL MG2 1 19 PRO HD3 . . 5.560 4.541 4.497 4.596 . 0 0 "[ . 1 . 2]" 1
262 1 18 VAL MG2 1 22 ALA H . . 5.450 4.256 4.148 4.360 . 0 0 "[ . 1 . 2]" 1
263 1 18 VAL MG2 1 22 ALA HA . . 5.870 4.732 4.404 4.914 . 0 0 "[ . 1 . 2]" 1
264 1 18 VAL MG2 1 22 ALA MB . . 4.270 2.415 2.248 2.529 . 0 0 "[ . 1 . 2]" 1
265 1 18 VAL MG2 1 26 GLU HB2 . . 6.270 4.677 4.317 4.933 . 0 0 "[ . 1 . 2]" 1
266 1 18 VAL MG2 1 27 ILE HA . . 4.500 3.211 2.967 3.514 . 0 0 "[ . 1 . 2]" 1
267 1 18 VAL MG2 1 62 LEU MD1 . . 4.650 2.697 2.485 2.914 . 0 0 "[ . 1 . 2]" 1
268 1 18 VAL MG2 1 62 LEU MD2 . . 5.730 4.010 3.730 4.303 . 0 0 "[ . 1 . 2]" 1
269 1 19 PRO HA 1 19 PRO HD3 . . 4.110 3.586 3.522 3.647 . 0 0 "[ . 1 . 2]" 1
270 1 19 PRO HA 1 19 PRO HG2 . . 3.770 3.810 3.773 3.831 0.061 2 0 "[ . 1 . 2]" 1
271 1 19 PRO HA 1 20 VAL H . . 3.100 2.386 2.280 2.483 . 0 0 "[ . 1 . 2]" 1
272 1 19 PRO HA 1 20 VAL HA . . 4.900 4.366 4.325 4.406 . 0 0 "[ . 1 . 2]" 1
273 1 19 PRO HA 1 20 VAL MG1 . . 6.830 5.344 3.763 5.622 . 0 0 "[ . 1 . 2]" 1
274 1 19 PRO HA 1 21 THR H . . 3.900 3.921 3.774 3.986 0.086 5 0 "[ . 1 . 2]" 1
275 1 19 PRO HB2 1 20 VAL H . . 3.930 2.784 2.500 3.147 . 0 0 "[ . 1 . 2]" 1
276 1 19 PRO HB2 1 21 THR H . . 3.600 2.146 1.996 2.218 . 0 0 "[ . 1 . 2]" 1
277 1 19 PRO HB2 1 21 THR HA . . 4.580 4.637 4.508 4.693 0.113 11 0 "[ . 1 . 2]" 1
278 1 19 PRO HB2 1 21 THR HB . . 5.260 3.209 3.001 4.033 . 0 0 "[ . 1 . 2]" 1
279 1 19 PRO HB2 1 22 ALA H . . 4.520 3.506 3.365 3.651 . 0 0 "[ . 1 . 2]" 1
280 1 19 PRO HB2 1 22 ALA HA . . 4.830 4.182 4.122 4.347 . 0 0 "[ . 1 . 2]" 1
281 1 19 PRO HB3 1 19 PRO HD2 . . 4.220 3.837 3.793 3.855 . 0 0 "[ . 1 . 2]" 1
282 1 19 PRO HB3 1 19 PRO HD3 . . 3.610 2.892 2.786 2.956 . 0 0 "[ . 1 . 2]" 1
283 1 19 PRO HB3 1 20 VAL H . . 3.760 3.626 3.445 3.799 0.039 2 0 "[ . 1 . 2]" 1
284 1 19 PRO HB3 1 21 THR H . . 3.840 3.857 3.739 3.902 0.062 20 0 "[ . 1 . 2]" 1
285 1 19 PRO HB3 1 21 THR HB . . 5.450 4.632 4.407 5.396 . 0 0 "[ . 1 . 2]" 1
286 1 19 PRO HB3 1 22 ALA HA . . 5.000 5.031 4.999 5.127 0.127 2 0 "[ . 1 . 2]" 1
287 1 19 PRO HD2 1 22 ALA MB . . 5.270 2.276 2.147 2.577 . 0 0 "[ . 1 . 2]" 1
288 1 19 PRO HD2 1 23 THR H . . 5.320 4.463 4.233 4.860 . 0 0 "[ . 1 . 2]" 1
289 1 19 PRO HD2 1 26 GLU HB3 . . 4.100 3.189 2.955 3.412 . 0 0 "[ . 1 . 2]" 1
290 1 19 PRO HD3 1 22 ALA MB . . 5.300 3.696 3.565 3.988 . 0 0 "[ . 1 . 2]" 1
291 1 19 PRO HD3 1 26 GLU HB3 . . 4.260 4.323 4.251 4.392 0.132 8 0 "[ . 1 . 2]" 1
292 1 19 PRO HG2 1 20 VAL H . . 5.770 4.462 4.283 4.745 . 0 0 "[ . 1 . 2]" 1
293 1 19 PRO HG2 1 21 THR H . . 4.870 3.497 3.210 3.693 . 0 0 "[ . 1 . 2]" 1
294 1 19 PRO HG2 1 21 THR HB . . 4.170 3.865 3.745 4.136 . 0 0 "[ . 1 . 2]" 1
295 1 19 PRO HG2 1 22 ALA H . . 4.490 2.751 2.400 2.821 . 0 0 "[ . 1 . 2]" 1
296 1 19 PRO HG2 1 22 ALA HA . . 4.730 2.068 2.024 2.166 . 0 0 "[ . 1 . 2]" 1
297 1 19 PRO HG2 1 23 THR H . . 4.060 4.125 4.062 4.253 0.193 2 0 "[ . 1 . 2]" 1
298 1 19 PRO HG2 1 26 GLU HB2 . . 5.310 4.815 4.361 5.115 . 0 0 "[ . 1 . 2]" 1
299 1 19 PRO HG3 1 21 THR H . . 5.000 4.483 4.189 4.639 . 0 0 "[ . 1 . 2]" 1
300 1 19 PRO HG3 1 21 THR HB . . 4.150 4.283 4.175 4.496 0.346 15 0 "[ . 1 . 2]" 1
301 1 19 PRO HG3 1 22 ALA H . . 4.490 4.474 4.135 4.546 0.056 11 0 "[ . 1 . 2]" 1
302 1 19 PRO HG3 1 22 ALA HA . . 3.800 3.296 3.137 3.462 . 0 0 "[ . 1 . 2]" 1
303 1 19 PRO HG3 1 26 GLU HB3 . . 5.510 5.031 4.853 5.272 . 0 0 "[ . 1 . 2]" 1
304 1 20 VAL H 1 20 VAL HB . . 3.850 2.542 2.441 3.599 . 0 0 "[ . 1 . 2]" 1
305 1 20 VAL H 1 20 VAL MG1 . . 4.800 3.510 2.085 3.753 . 0 0 "[ . 1 . 2]" 1
306 1 20 VAL H 1 20 VAL QG . . 3.550 2.046 1.790 2.230 . 0 0 "[ . 1 . 2]" 1
307 1 20 VAL H 1 20 VAL MG2 . . 4.000 2.218 1.857 3.763 . 0 0 "[ . 1 . 2]" 1
308 1 20 VAL H 1 21 THR H . . 3.730 2.468 2.221 2.736 . 0 0 "[ . 1 . 2]" 1
309 1 20 VAL H 1 21 THR MG . . 7.030 5.618 4.441 5.909 . 0 0 "[ . 1 . 2]" 1
310 1 20 VAL H 1 22 ALA H . . 4.800 4.190 4.107 4.292 . 0 0 "[ . 1 . 2]" 1
311 1 20 VAL HA 1 21 THR H . . 4.740 3.443 3.380 3.481 . 0 0 "[ . 1 . 2]" 1
312 1 20 VAL HA 1 21 THR MG . . 7.270 5.959 5.154 6.120 . 0 0 "[ . 1 . 2]" 1
313 1 20 VAL HA 1 22 ALA H . . 3.770 3.537 3.406 3.650 . 0 0 "[ . 1 . 2]" 1
314 1 20 VAL HA 1 22 ALA MB . . 5.370 4.167 4.035 4.283 . 0 0 "[ . 1 . 2]" 1
315 1 20 VAL MG1 1 21 THR H . . 5.940 3.480 2.385 4.055 . 0 0 "[ . 1 . 2]" 1
316 1 20 VAL MG2 1 21 THR H . . 5.750 3.727 2.558 3.922 . 0 0 "[ . 1 . 2]" 1
317 1 21 THR H 1 21 THR HB . . 4.170 2.787 2.644 3.465 . 0 0 "[ . 1 . 2]" 1
318 1 21 THR H 1 21 THR MG . . 4.480 3.667 2.651 3.806 . 0 0 "[ . 1 . 2]" 1
319 1 21 THR H 1 22 ALA H . . 3.460 2.801 2.716 2.885 . 0 0 "[ . 1 . 2]" 1
320 1 21 THR H 1 22 ALA HA . . 5.800 4.668 4.504 4.852 . 0 0 "[ . 1 . 2]" 1
321 1 21 THR H 1 22 ALA MB . . 5.310 4.215 4.085 4.342 . 0 0 "[ . 1 . 2]" 1
322 1 21 THR HA 1 22 ALA H . . 3.980 3.071 2.992 3.190 . 0 0 "[ . 1 . 2]" 1
323 1 21 THR HB 1 22 ALA H . . 5.440 3.998 3.898 4.245 . 0 0 "[ . 1 . 2]" 1
324 1 21 THR MG 1 22 ALA H . . 5.180 4.331 4.284 4.457 . 0 0 "[ . 1 . 2]" 1
325 1 22 ALA H 1 22 ALA MB . . 3.110 2.212 2.185 2.243 . 0 0 "[ . 1 . 2]" 1
326 1 22 ALA H 1 23 THR H . . 5.530 4.560 4.533 4.585 . 0 0 "[ . 1 . 2]" 1
327 1 22 ALA HA 1 23 THR H . . 3.130 2.153 2.097 2.207 . 0 0 "[ . 1 . 2]" 1
328 1 22 ALA HA 1 23 THR MG . . 5.000 3.600 3.503 3.832 . 0 0 "[ . 1 . 2]" 1
329 1 22 ALA HA 1 26 GLU HB3 . . 4.730 4.232 4.070 4.404 . 0 0 "[ . 1 . 2]" 1
330 1 22 ALA HA 1 26 GLU HG3 . . 5.400 4.699 3.625 5.046 . 0 0 "[ . 1 . 2]" 1
331 1 22 ALA MB 1 23 THR H . . 4.000 2.657 2.544 2.819 . 0 0 "[ . 1 . 2]" 1
332 1 22 ALA MB 1 26 GLU H . . 5.800 4.429 4.060 4.745 . 0 0 "[ . 1 . 2]" 1
333 1 22 ALA MB 1 26 GLU HB2 . . 5.090 2.500 2.127 2.921 . 0 0 "[ . 1 . 2]" 1
334 1 22 ALA MB 1 27 ILE H . . 5.000 3.611 3.422 3.839 . 0 0 "[ . 1 . 2]" 1
335 1 22 ALA MB 1 27 ILE MD . . 4.810 2.696 2.435 3.100 . 0 0 "[ . 1 . 2]" 1
336 1 22 ALA MB 1 27 ILE MG . . 7.090 4.423 4.186 4.731 . 0 0 "[ . 1 . 2]" 1
337 1 23 THR H 1 23 THR MG . . 3.290 2.601 2.128 2.752 . 0 0 "[ . 1 . 2]" 1
338 1 23 THR H 1 25 VAL H . . 5.210 4.816 4.428 4.981 . 0 0 "[ . 1 . 2]" 1
339 1 23 THR H 1 26 GLU H . . 4.330 3.525 3.225 3.642 . 0 0 "[ . 1 . 2]" 1
340 1 23 THR H 1 26 GLU HA . . 5.250 5.211 5.083 5.327 0.077 15 0 "[ . 1 . 2]" 1
341 1 23 THR H 1 26 GLU HB2 . . 3.640 2.403 2.237 2.598 . 0 0 "[ . 1 . 2]" 1
342 1 23 THR H 1 26 GLU HB3 . . 4.200 3.856 3.696 4.232 0.032 2 0 "[ . 1 . 2]" 1
343 1 23 THR H 1 27 ILE H . . 4.950 4.122 3.929 4.368 . 0 0 "[ . 1 . 2]" 1
344 1 23 THR H 1 27 ILE MD . . 5.340 4.258 4.018 4.515 . 0 0 "[ . 1 . 2]" 1
345 1 23 THR HA 1 23 THR MG . . 3.550 2.390 2.313 3.222 . 0 0 "[ . 1 . 2]" 1
346 1 23 THR HA 1 24 ASP H . . 3.190 2.504 2.444 2.641 . 0 0 "[ . 1 . 2]" 1
347 1 23 THR HA 1 25 VAL H . . 4.480 4.432 4.274 4.614 0.134 19 0 "[ . 1 . 2]" 1
348 1 23 THR HA 1 26 GLU H . . 5.380 4.786 4.699 4.884 . 0 0 "[ . 1 . 2]" 1
349 1 23 THR HB 1 24 ASP H . . 3.360 2.410 2.061 3.585 0.225 6 0 "[ . 1 . 2]" 1
350 1 23 THR HB 1 25 VAL H . . 3.930 3.043 2.771 4.310 0.380 6 0 "[ . 1 . 2]" 1
351 1 23 THR HB 1 26 GLU H . . 5.220 4.034 3.801 4.673 . 0 0 "[ . 1 . 2]" 1
352 1 23 THR MG 1 24 ASP H . . 5.000 3.622 2.954 3.717 . 0 0 "[ . 1 . 2]" 1
353 1 23 THR MG 1 25 VAL H . . 5.000 4.314 1.746 4.685 . 0 0 "[ . 1 . 2]" 1
354 1 23 THR MG 1 25 VAL HB . . 5.400 4.599 2.130 5.174 . 0 0 "[ . 1 . 2]" 1
355 1 23 THR MG 1 25 VAL MG1 . . 7.800 5.451 3.442 5.930 . 0 0 "[ . 1 . 2]" 1
356 1 23 THR MG 1 26 GLU H . . 5.000 4.421 1.986 4.725 . 0 0 "[ . 1 . 2]" 1
357 1 23 THR MG 1 27 ILE H . . 6.500 5.573 3.712 5.764 . 0 0 "[ . 1 . 2]" 1
358 1 23 THR O 1 27 ILE H . . 2.200 1.985 1.877 2.111 . 0 0 "[ . 1 . 2]" 1
359 1 23 THR O 1 27 ILE N . . 3.300 2.915 2.827 2.996 . 0 0 "[ . 1 . 2]" 1
360 1 24 ASP H 1 25 VAL H . . 3.720 2.772 2.673 2.846 . 0 0 "[ . 1 . 2]" 1
361 1 24 ASP H 1 25 VAL HB . . 5.450 4.930 4.721 5.022 . 0 0 "[ . 1 . 2]" 1
362 1 24 ASP H 1 25 VAL MG1 . . 7.170 5.988 5.874 6.053 . 0 0 "[ . 1 . 2]" 1
363 1 24 ASP H 1 26 GLU H . . 4.860 4.376 4.267 4.529 . 0 0 "[ . 1 . 2]" 1
364 1 24 ASP H 1 27 ILE H . . 5.050 4.773 4.723 4.863 . 0 0 "[ . 1 . 2]" 1
365 1 24 ASP H 1 27 ILE HB . . 4.540 4.727 4.640 4.769 0.229 8 0 "[ . 1 . 2]" 1
366 1 24 ASP H 1 27 ILE MD . . 4.830 3.619 3.475 3.740 . 0 0 "[ . 1 . 2]" 1
367 1 24 ASP H 1 65 PRO HG3 . . 4.540 4.670 4.045 4.813 0.273 5 0 "[ . 1 . 2]" 1
368 1 24 ASP HA 1 25 VAL H . . 4.340 3.527 3.470 3.552 . 0 0 "[ . 1 . 2]" 1
369 1 24 ASP HA 1 25 VAL HB . . 5.730 5.766 5.581 5.813 0.083 19 0 "[ . 1 . 2]" 1
370 1 24 ASP HA 1 26 GLU H . . 4.980 4.487 4.351 4.660 . 0 0 "[ . 1 . 2]" 1
371 1 24 ASP HA 1 27 ILE H . . 4.140 3.540 3.307 3.732 . 0 0 "[ . 1 . 2]" 1
372 1 24 ASP HA 1 27 ILE HB . . 3.820 2.343 2.155 2.532 . 0 0 "[ . 1 . 2]" 1
373 1 24 ASP HA 1 27 ILE MD . . 4.240 2.323 2.106 2.547 . 0 0 "[ . 1 . 2]" 1
374 1 24 ASP HA 1 27 ILE MG . . 4.300 3.547 3.402 3.655 . 0 0 "[ . 1 . 2]" 1
375 1 24 ASP HB2 1 25 VAL H . . 5.090 2.777 2.502 3.736 . 0 0 "[ . 1 . 2]" 1
376 1 24 ASP HB2 1 25 VAL HB . . 5.320 4.988 4.685 5.804 0.484 13 0 "[ . 1 . 2]" 1
377 1 24 ASP HB2 1 27 ILE HB . . 5.320 5.005 3.943 5.244 . 0 0 "[ . 1 . 2]" 1
378 1 24 ASP HB2 1 63 SER HA . . 6.000 5.564 3.511 5.939 . 0 0 "[ . 1 . 2]" 1
379 1 24 ASP HB3 1 25 VAL H . . 3.980 3.699 3.522 4.089 0.109 15 0 "[ . 1 . 2]" 1
380 1 24 ASP HB3 1 27 ILE HB . . 4.710 4.334 4.126 4.546 . 0 0 "[ . 1 . 2]" 1
381 1 24 ASP HB3 1 63 SER HA . . 4.300 4.288 3.790 4.461 0.161 7 0 "[ . 1 . 2]" 1
382 1 24 ASP O 1 28 LYS H . . 2.200 1.882 1.829 1.935 . 0 0 "[ . 1 . 2]" 1
383 1 24 ASP O 1 28 LYS N . . 3.300 2.796 2.751 2.846 . 0 0 "[ . 1 . 2]" 1
384 1 25 VAL H 1 25 VAL HA . . 3.060 2.818 2.808 2.841 . 0 0 "[ . 1 . 2]" 1
385 1 25 VAL H 1 25 VAL HB . . 3.230 2.408 2.262 2.448 . 0 0 "[ . 1 . 2]" 1
386 1 25 VAL H 1 25 VAL MG1 . . 4.480 3.737 3.684 3.762 . 0 0 "[ . 1 . 2]" 1
387 1 25 VAL H 1 25 VAL MG2 . . 4.630 2.210 2.162 2.290 . 0 0 "[ . 1 . 2]" 1
388 1 25 VAL H 1 26 GLU H . . 3.710 2.626 2.537 2.815 . 0 0 "[ . 1 . 2]" 1
389 1 25 VAL H 1 26 GLU HB2 . . 5.880 4.703 4.616 4.891 . 0 0 "[ . 1 . 2]" 1
390 1 25 VAL H 1 27 ILE H . . 4.580 3.933 3.847 4.007 . 0 0 "[ . 1 . 2]" 1
391 1 25 VAL H 1 27 ILE HB . . 4.620 4.694 4.589 4.739 0.119 17 0 "[ . 1 . 2]" 1
392 1 25 VAL H 1 27 ILE MD . . 5.880 4.855 4.679 4.972 . 0 0 "[ . 1 . 2]" 1
393 1 25 VAL HA 1 26 GLU H . . 4.480 3.537 3.504 3.617 . 0 0 "[ . 1 . 2]" 1
394 1 25 VAL HA 1 27 ILE HB . . 5.000 5.054 4.959 5.160 0.160 2 0 "[ . 1 . 2]" 1
395 1 25 VAL HA 1 28 LYS H . . 4.100 3.467 3.325 3.696 . 0 0 "[ . 1 . 2]" 1
396 1 25 VAL HA 1 28 LYS QB . . 4.950 2.844 2.617 3.190 . 0 0 "[ . 1 . 2]" 1
397 1 25 VAL HA 1 29 LYS H . . 4.670 4.099 3.857 4.364 . 0 0 "[ . 1 . 2]" 1
398 1 25 VAL HB 1 26 GLU H . . 3.410 2.594 2.491 2.671 . 0 0 "[ . 1 . 2]" 1
399 1 25 VAL HB 1 26 GLU HG2 . . 5.510 4.724 3.628 5.455 . 0 0 "[ . 1 . 2]" 1
400 1 25 VAL MG1 1 26 GLU H . . 4.500 3.292 3.133 3.378 . 0 0 "[ . 1 . 2]" 1
401 1 25 VAL MG1 1 29 LYS QE . . 6.500 3.562 1.895 4.905 . 0 0 "[ . 1 . 2]" 1
402 1 25 VAL MG2 1 26 GLU H . . 5.600 3.884 3.834 3.933 . 0 0 "[ . 1 . 2]" 1
403 1 25 VAL MG2 1 26 GLU HA . . 6.510 5.428 5.385 5.490 . 0 0 "[ . 1 . 2]" 1
404 1 25 VAL MG2 1 26 GLU HG2 . . 6.950 5.979 5.086 6.599 . 0 0 "[ . 1 . 2]" 1
405 1 25 VAL MG2 1 29 LYS QD . . 7.300 5.302 4.848 6.154 . 0 0 "[ . 1 . 2]" 1
406 1 25 VAL MG2 1 29 LYS QE . . 8.000 5.955 4.464 7.183 . 0 0 "[ . 1 . 2]" 1
407 1 25 VAL MG2 1 29 LYS HG2 . . 7.000 5.727 5.557 6.103 . 0 0 "[ . 1 . 2]" 1
408 1 25 VAL O 1 29 LYS H . . 2.200 2.073 1.894 2.259 0.059 15 0 "[ . 1 . 2]" 1
409 1 25 VAL O 1 29 LYS N . . 3.300 3.029 2.851 3.216 . 0 0 "[ . 1 . 2]" 1
410 1 26 GLU H 1 27 ILE H . . 3.790 2.439 2.359 2.616 . 0 0 "[ . 1 . 2]" 1
411 1 26 GLU H 1 27 ILE MD . . 5.960 4.800 4.655 4.968 . 0 0 "[ . 1 . 2]" 1
412 1 26 GLU H 1 27 ILE MG . . 6.830 5.606 5.531 5.787 . 0 0 "[ . 1 . 2]" 1
413 1 26 GLU H 1 28 LYS H . . 4.610 4.077 3.965 4.271 . 0 0 "[ . 1 . 2]" 1
414 1 26 GLU H 1 29 LYS H . . 5.090 4.829 4.700 4.969 . 0 0 "[ . 1 . 2]" 1
415 1 26 GLU HA 1 27 ILE H . . 4.430 3.453 3.430 3.472 . 0 0 "[ . 1 . 2]" 1
416 1 26 GLU HA 1 28 LYS H . . 4.620 4.492 4.359 4.625 0.005 5 0 "[ . 1 . 2]" 1
417 1 26 GLU HA 1 29 LYS H . . 3.590 3.671 3.569 3.762 0.172 5 0 "[ . 1 . 2]" 1
418 1 26 GLU HA 1 29 LYS QB . . 4.950 4.094 3.878 4.276 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLU HA 1 29 LYS QE . . 5.360 3.197 1.767 4.356 . 0 0 "[ . 1 . 2]" 1
420 1 26 GLU HA 1 29 LYS HG2 . . 3.780 2.116 2.002 2.263 . 0 0 "[ . 1 . 2]" 1
421 1 26 GLU HA 1 29 LYS HG3 . . 4.890 3.012 2.693 3.263 . 0 0 "[ . 1 . 2]" 1
422 1 26 GLU HA 1 30 ALA H . . 3.990 3.942 3.771 4.019 0.029 15 0 "[ . 1 . 2]" 1
423 1 26 GLU HA 1 30 ALA MB . . 5.530 4.329 4.166 4.503 . 0 0 "[ . 1 . 2]" 1
424 1 26 GLU HB2 1 27 ILE H . . 4.200 2.549 2.448 2.720 . 0 0 "[ . 1 . 2]" 1
425 1 26 GLU O 1 30 ALA H . . 2.200 1.998 1.878 2.147 . 0 0 "[ . 1 . 2]" 1
426 1 26 GLU O 1 30 ALA N . . 3.300 2.915 2.808 3.077 . 0 0 "[ . 1 . 2]" 1
427 1 27 ILE H 1 27 ILE HB . . 3.290 2.308 2.287 2.340 . 0 0 "[ . 1 . 2]" 1
428 1 27 ILE H 1 27 ILE MD . . 3.990 3.429 3.379 3.464 . 0 0 "[ . 1 . 2]" 1
429 1 27 ILE H 1 27 ILE MG . . 4.300 3.693 3.681 3.713 . 0 0 "[ . 1 . 2]" 1
430 1 27 ILE H 1 28 LYS H . . 3.610 2.699 2.629 2.763 . 0 0 "[ . 1 . 2]" 1
431 1 27 ILE H 1 29 LYS HG3 . . 5.400 5.518 5.408 5.663 0.263 7 0 "[ . 1 . 2]" 1
432 1 27 ILE HA 1 27 ILE MD . . 4.500 3.807 3.801 3.818 . 0 0 "[ . 1 . 2]" 1
433 1 27 ILE HA 1 28 LYS H . . 4.720 3.563 3.536 3.580 . 0 0 "[ . 1 . 2]" 1
434 1 27 ILE HA 1 29 LYS H . . 4.740 4.624 4.514 4.740 . 0 0 "[ . 1 . 2]" 1
435 1 27 ILE HA 1 30 ALA H . . 4.380 3.736 3.518 3.877 . 0 0 "[ . 1 . 2]" 1
436 1 27 ILE HA 1 30 ALA MB . . 4.390 2.712 2.498 2.880 . 0 0 "[ . 1 . 2]" 1
437 1 27 ILE HA 1 31 TYR H . . 4.590 4.085 3.815 4.314 . 0 0 "[ . 1 . 2]" 1
438 1 27 ILE HA 1 62 LEU MD1 . . 5.220 4.385 4.133 4.601 . 0 0 "[ . 1 . 2]" 1
439 1 27 ILE HB 1 28 LYS H . . 5.000 2.620 2.495 2.740 . 0 0 "[ . 1 . 2]" 1
440 1 27 ILE HB 1 62 LEU HB2 . . 5.300 5.121 4.897 5.307 0.007 18 0 "[ . 1 . 2]" 1
441 1 27 ILE MD 1 28 LYS H . . 5.530 4.572 4.472 4.659 . 0 0 "[ . 1 . 2]" 1
442 1 27 ILE MD 1 59 TYR QD . . 6.000 5.527 5.115 5.826 . 0 0 "[ . 1 . 2]" 1
443 1 27 ILE MD 1 62 LEU H . . 5.860 4.677 4.555 4.794 . 0 0 "[ . 1 . 2]" 1
444 1 27 ILE MD 1 62 LEU HA . . 5.070 3.099 2.963 3.222 . 0 0 "[ . 1 . 2]" 1
445 1 27 ILE MD 1 62 LEU HB2 . . 4.650 3.250 3.088 3.398 . 0 0 "[ . 1 . 2]" 1
446 1 27 ILE MD 1 62 LEU HB3 . . 4.630 1.954 1.815 2.089 . 0 0 "[ . 1 . 2]" 1
447 1 27 ILE MD 1 62 LEU MD1 . . 5.730 3.376 3.148 3.538 . 0 0 "[ . 1 . 2]" 1
448 1 27 ILE MD 1 62 LEU MD2 . . 4.910 3.004 2.767 3.271 . 0 0 "[ . 1 . 2]" 1
449 1 27 ILE MD 1 63 SER H . . 4.960 3.900 3.654 4.098 . 0 0 "[ . 1 . 2]" 1
450 1 27 ILE MD 1 63 SER HA . . 4.010 3.189 2.824 3.397 . 0 0 "[ . 1 . 2]" 1
451 1 27 ILE MD 1 64 ASP H . . 5.530 4.408 4.251 4.585 . 0 0 "[ . 1 . 2]" 1
452 1 27 ILE MD 1 68 ARG HB3 . . 6.200 4.519 4.261 4.876 . 0 0 "[ . 1 . 2]" 1
453 1 27 ILE MD 1 68 ARG HD2 . . 6.000 3.137 2.324 4.882 . 0 0 "[ . 1 . 2]" 1
454 1 27 ILE MD 1 68 ARG HD3 . . 5.000 3.287 2.693 5.062 0.062 5 0 "[ . 1 . 2]" 1
455 1 27 ILE HG12 1 62 LEU HA . . 5.110 4.965 4.745 5.108 . 0 0 "[ . 1 . 2]" 1
456 1 27 ILE MG 1 28 LYS H . . 4.090 3.158 3.026 3.287 . 0 0 "[ . 1 . 2]" 1
457 1 27 ILE MG 1 28 LYS HA . . 4.720 3.184 3.060 3.317 . 0 0 "[ . 1 . 2]" 1
458 1 27 ILE MG 1 59 TYR QD . . 4.500 2.639 2.240 2.949 . 0 0 "[ . 1 . 2]" 1
459 1 27 ILE MG 1 59 TYR QE . . 4.980 3.559 2.841 3.922 . 0 0 "[ . 1 . 2]" 1
460 1 27 ILE MG 1 62 LEU H . . 5.000 4.232 4.040 4.405 . 0 0 "[ . 1 . 2]" 1
461 1 27 ILE MG 1 62 LEU HB2 . . 4.650 2.487 2.300 2.700 . 0 0 "[ . 1 . 2]" 1
462 1 27 ILE MG 1 62 LEU HB3 . . 4.630 2.388 2.144 2.754 . 0 0 "[ . 1 . 2]" 1
463 1 27 ILE MG 1 62 LEU MD1 . . 5.540 3.105 2.831 3.349 . 0 0 "[ . 1 . 2]" 1
464 1 27 ILE MG 1 63 SER H . . 4.290 2.884 2.744 3.066 . 0 0 "[ . 1 . 2]" 1
465 1 27 ILE MG 1 63 SER HA . . 4.540 2.403 2.209 2.636 . 0 0 "[ . 1 . 2]" 1
466 1 27 ILE MG 1 63 SER HB3 . . 5.400 4.030 3.769 4.220 . 0 0 "[ . 1 . 2]" 1
467 1 27 ILE MG 1 64 ASP H . . 5.650 4.396 4.207 4.574 . 0 0 "[ . 1 . 2]" 1
468 1 27 ILE O 1 31 TYR H . . 2.200 2.005 1.882 2.120 . 0 0 "[ . 1 . 2]" 1
469 1 27 ILE O 1 31 TYR N . . 3.300 2.899 2.773 3.011 . 0 0 "[ . 1 . 2]" 1
470 1 28 LYS H 1 28 LYS QB . . 3.000 2.294 2.062 2.499 . 0 0 "[ . 1 . 2]" 1
471 1 28 LYS H 1 28 LYS QG . . 3.510 3.006 2.170 3.887 0.377 6 0 "[ . 1 . 2]" 1
472 1 28 LYS H 1 29 LYS H . . 3.170 2.682 2.634 2.732 . 0 0 "[ . 1 . 2]" 1
473 1 28 LYS H 1 29 LYS HA . . 5.410 5.261 5.210 5.313 . 0 0 "[ . 1 . 2]" 1
474 1 28 LYS H 1 29 LYS HG2 . . 4.230 4.082 3.908 4.239 0.009 12 0 "[ . 1 . 2]" 1
475 1 28 LYS H 1 31 TYR HB3 . . 4.970 5.045 4.926 5.162 0.192 10 0 "[ . 1 . 2]" 1
476 1 28 LYS H 1 59 TYR QE . . 5.000 4.537 3.943 5.126 0.126 15 0 "[ . 1 . 2]" 1
477 1 28 LYS HA 1 28 LYS QE . . 5.010 3.906 3.051 4.671 . 0 0 "[ . 1 . 2]" 1
478 1 28 LYS HA 1 29 LYS H . . 4.160 3.534 3.507 3.556 . 0 0 "[ . 1 . 2]" 1
479 1 28 LYS HA 1 29 LYS HG2 . . 5.460 5.528 5.389 5.647 0.187 12 0 "[ . 1 . 2]" 1
480 1 28 LYS HA 1 31 TYR H . . 3.850 3.495 3.194 3.802 . 0 0 "[ . 1 . 2]" 1
481 1 28 LYS HA 1 31 TYR HB3 . . 5.140 2.660 2.363 2.970 . 0 0 "[ . 1 . 2]" 1
482 1 28 LYS HA 1 59 TYR HB2 . . 5.440 5.323 4.802 5.610 0.170 20 0 "[ . 1 . 2]" 1
483 1 28 LYS HA 1 59 TYR QD . . 5.440 3.046 2.465 3.366 . 0 0 "[ . 1 . 2]" 1
484 1 28 LYS HA 1 59 TYR QE . . 4.190 2.404 1.941 2.923 . 0 0 "[ . 1 . 2]" 1
485 1 28 LYS QB 1 29 LYS H . . 3.460 2.458 2.258 2.662 . 0 0 "[ . 1 . 2]" 1
486 1 28 LYS QB 1 29 LYS HG2 . . 5.040 4.107 3.768 4.470 . 0 0 "[ . 1 . 2]" 1
487 1 28 LYS QB 1 59 TYR QE . . 5.500 3.377 2.401 4.123 . 0 0 "[ . 1 . 2]" 1
488 1 28 LYS QD 1 32 ARG H . . 5.700 5.675 4.194 6.342 0.642 3 1 "[ + . 1 . 2]" 1
489 1 28 LYS QE 1 63 SER HA . . 6.590 4.996 2.819 6.711 0.121 13 0 "[ . 1 . 2]" 1
490 1 28 LYS QG 1 29 LYS H . . 4.200 3.791 3.251 4.230 0.030 14 0 "[ . 1 . 2]" 1
491 1 28 LYS QG 1 59 TYR QE . . 5.000 2.958 1.758 4.482 . 0 0 "[ . 1 . 2]" 1
492 1 28 LYS O 1 32 ARG H . . 2.200 1.842 1.703 1.975 . 0 0 "[ . 1 . 2]" 1
493 1 28 LYS O 1 32 ARG N . . 3.300 2.795 2.686 2.888 . 0 0 "[ . 1 . 2]" 1
494 1 29 LYS H 1 29 LYS QB . . 3.130 2.639 2.549 2.695 . 0 0 "[ . 1 . 2]" 1
495 1 29 LYS H 1 29 LYS QD . . 3.950 3.818 3.594 4.132 0.182 18 0 "[ . 1 . 2]" 1
496 1 29 LYS H 1 29 LYS QE . . 5.230 4.483 3.528 4.861 . 0 0 "[ . 1 . 2]" 1
497 1 29 LYS H 1 29 LYS HG2 . . 3.290 2.084 1.936 2.188 . 0 0 "[ . 1 . 2]" 1
498 1 29 LYS H 1 29 LYS HG3 . . 4.240 3.266 3.101 3.439 . 0 0 "[ . 1 . 2]" 1
499 1 29 LYS H 1 30 ALA H . . 3.170 2.600 2.559 2.631 . 0 0 "[ . 1 . 2]" 1
500 1 29 LYS H 1 30 ALA HA . . 5.210 5.198 5.162 5.229 0.019 19 0 "[ . 1 . 2]" 1
501 1 29 LYS H 1 31 TYR H . . 4.560 3.998 3.918 4.080 . 0 0 "[ . 1 . 2]" 1
502 1 29 LYS H 1 31 TYR HB3 . . 5.100 4.960 4.864 5.025 . 0 0 "[ . 1 . 2]" 1
503 1 29 LYS H 1 32 ARG H . . 4.480 4.549 4.502 4.633 0.153 2 0 "[ . 1 . 2]" 1
504 1 29 LYS H 1 33 LYS H . . 5.750 5.831 5.737 5.876 0.126 6 0 "[ . 1 . 2]" 1
505 1 29 LYS HA 1 29 LYS HG2 . . 3.740 3.728 3.667 3.765 0.025 5 0 "[ . 1 . 2]" 1
506 1 29 LYS HA 1 29 LYS HG3 . . 4.440 3.803 3.737 3.861 . 0 0 "[ . 1 . 2]" 1
507 1 29 LYS HA 1 30 ALA H . . 3.430 3.490 3.447 3.519 0.089 16 0 "[ . 1 . 2]" 1
508 1 29 LYS HA 1 32 ARG H . . 4.120 3.127 3.002 3.322 . 0 0 "[ . 1 . 2]" 1
509 1 29 LYS HA 1 32 ARG HA . . 5.010 5.055 4.772 5.358 0.348 18 0 "[ . 1 . 2]" 1
510 1 29 LYS HA 1 32 ARG QD . . 4.970 3.806 2.592 4.510 . 0 0 "[ . 1 . 2]" 1
511 1 29 LYS HA 1 32 ARG HG2 . . 3.650 2.397 1.712 3.280 . 0 0 "[ . 1 . 2]" 1
512 1 29 LYS HA 1 33 LYS H . . 3.740 3.763 3.587 3.827 0.087 6 0 "[ . 1 . 2]" 1
513 1 29 LYS HA 1 33 LYS QB . . 5.150 4.745 4.458 4.921 . 0 0 "[ . 1 . 2]" 1
514 1 29 LYS HA 1 33 LYS HG2 . . 5.530 5.258 4.992 5.517 . 0 0 "[ . 1 . 2]" 1
515 1 29 LYS QB 1 30 ALA H . . 3.740 3.471 3.375 3.544 . 0 0 "[ . 1 . 2]" 1
516 1 29 LYS QD 1 30 ALA H . . 4.490 4.292 3.965 4.513 0.023 17 0 "[ . 1 . 2]" 1
517 1 29 LYS QD 1 30 ALA HA . . 5.700 5.457 4.921 5.758 0.058 20 0 "[ . 1 . 2]" 1
518 1 29 LYS QE 1 30 ALA H . . 5.470 4.607 4.213 5.055 . 0 0 "[ . 1 . 2]" 1
519 1 29 LYS HG2 1 30 ALA H . . 4.230 2.757 2.332 2.932 . 0 0 "[ . 1 . 2]" 1
520 1 29 LYS HG2 1 30 ALA HA . . 5.100 4.960 4.575 5.141 0.041 11 0 "[ . 1 . 2]" 1
521 1 29 LYS HG2 1 33 LYS QE . . 6.500 6.131 5.187 6.760 0.260 7 0 "[ . 1 . 2]" 1
522 1 29 LYS HG3 1 30 ALA H . . 4.220 2.455 2.159 2.636 . 0 0 "[ . 1 . 2]" 1
523 1 29 LYS O 1 33 LYS H . . 2.200 1.841 1.772 1.932 . 0 0 "[ . 1 . 2]" 1
524 1 29 LYS O 1 33 LYS N . . 3.300 2.773 2.717 2.833 . 0 0 "[ . 1 . 2]" 1
525 1 30 ALA H 1 30 ALA MB . . 3.130 2.208 2.186 2.226 . 0 0 "[ . 1 . 2]" 1
526 1 30 ALA H 1 31 TYR H . . 3.210 2.653 2.616 2.696 . 0 0 "[ . 1 . 2]" 1
527 1 30 ALA H 1 31 TYR HB3 . . 5.850 4.696 4.623 4.797 . 0 0 "[ . 1 . 2]" 1
528 1 30 ALA H 1 32 ARG HG3 . . 5.520 5.363 4.405 5.886 0.366 3 0 "[ . 1 . 2]" 1
529 1 30 ALA H 1 33 LYS H . . 4.540 4.581 4.527 4.646 0.106 11 0 "[ . 1 . 2]" 1
530 1 30 ALA H 1 33 LYS HG2 . . 5.240 4.474 4.297 4.671 . 0 0 "[ . 1 . 2]" 1
531 1 30 ALA H 1 34 CYS H . . 5.440 5.726 5.669 5.776 0.336 16 0 "[ . 1 . 2]" 1
532 1 30 ALA HA 1 33 LYS H . . 4.180 3.451 3.351 3.552 . 0 0 "[ . 1 . 2]" 1
533 1 30 ALA HA 1 33 LYS QB . . 4.670 3.660 3.384 3.872 . 0 0 "[ . 1 . 2]" 1
534 1 30 ALA HA 1 33 LYS QD . . 3.600 2.794 2.012 3.235 . 0 0 "[ . 1 . 2]" 1
535 1 30 ALA HA 1 33 LYS QE . . 4.610 2.256 1.895 4.045 . 0 0 "[ . 1 . 2]" 1
536 1 30 ALA MB 1 31 TYR H . . 3.520 2.504 2.470 2.533 . 0 0 "[ . 1 . 2]" 1
537 1 30 ALA MB 1 31 TYR HB3 . . 5.500 4.471 4.410 4.515 . 0 0 "[ . 1 . 2]" 1
538 1 30 ALA MB 1 32 ARG H . . 6.000 4.534 4.411 4.647 . 0 0 "[ . 1 . 2]" 1
539 1 30 ALA O 1 34 CYS H . . 2.200 1.833 1.776 1.938 . 0 0 "[ . 1 . 2]" 1
540 1 30 ALA O 1 34 CYS N . . 3.300 2.783 2.734 2.876 . 0 0 "[ . 1 . 2]" 1
541 1 31 TYR H 1 31 TYR HB2 . . 3.650 2.699 2.655 2.754 . 0 0 "[ . 1 . 2]" 1
542 1 31 TYR H 1 31 TYR HB3 . . 3.530 2.359 2.321 2.396 . 0 0 "[ . 1 . 2]" 1
543 1 31 TYR H 1 31 TYR QD . . 4.760 4.158 4.134 4.177 . 0 0 "[ . 1 . 2]" 1
544 1 31 TYR H 1 32 ARG H . . 3.210 2.622 2.532 2.709 . 0 0 "[ . 1 . 2]" 1
545 1 31 TYR H 1 32 ARG HA . . 5.510 5.196 5.163 5.230 . 0 0 "[ . 1 . 2]" 1
546 1 31 TYR H 1 33 LYS H . . 4.830 4.089 4.005 4.178 . 0 0 "[ . 1 . 2]" 1
547 1 31 TYR H 1 34 CYS H . . 5.160 4.614 4.559 4.659 . 0 0 "[ . 1 . 2]" 1
548 1 31 TYR H 1 59 TYR QD . . 5.800 4.267 3.890 4.582 . 0 0 "[ . 1 . 2]" 1
549 1 31 TYR H 1 59 TYR QE . . 6.500 5.267 4.825 5.797 . 0 0 "[ . 1 . 2]" 1
550 1 31 TYR HA 1 33 LYS HG2 . . 5.090 4.837 4.633 4.990 . 0 0 "[ . 1 . 2]" 1
551 1 31 TYR HA 1 34 CYS H . . 3.860 3.573 3.514 3.713 . 0 0 "[ . 1 . 2]" 1
552 1 31 TYR HA 1 34 CYS HB2 . . 4.890 3.298 2.666 3.989 . 0 0 "[ . 1 . 2]" 1
553 1 31 TYR HA 1 55 ALA MB . . 5.540 2.950 2.637 3.455 . 0 0 "[ . 1 . 2]" 1
554 1 31 TYR HA 1 59 TYR HB2 . . 5.060 4.239 3.988 4.457 . 0 0 "[ . 1 . 2]" 1
555 1 31 TYR HB2 1 32 ARG H . . 4.300 3.879 3.828 3.908 . 0 0 "[ . 1 . 2]" 1
556 1 31 TYR HB2 1 59 TYR QD . . 5.410 2.393 2.167 2.656 . 0 0 "[ . 1 . 2]" 1
557 1 31 TYR HB3 1 32 ARG H . . 4.040 2.510 2.442 2.568 . 0 0 "[ . 1 . 2]" 1
558 1 31 TYR HB3 1 33 LYS H . . 5.360 5.025 4.923 5.142 . 0 0 "[ . 1 . 2]" 1
559 1 31 TYR HB3 1 35 ALA MB . . 6.580 5.116 4.974 5.350 . 0 0 "[ . 1 . 2]" 1
560 1 31 TYR HB3 1 59 TYR HA . . 5.500 5.233 4.973 5.508 0.008 6 0 "[ . 1 . 2]" 1
561 1 31 TYR HB3 1 59 TYR QD . . 5.240 2.856 2.669 3.075 . 0 0 "[ . 1 . 2]" 1
562 1 31 TYR QD 1 32 ARG H . . 5.410 3.288 3.132 3.522 . 0 0 "[ . 1 . 2]" 1
563 1 31 TYR QD 1 34 CYS H . . 5.500 5.483 5.424 5.561 0.061 4 0 "[ . 1 . 2]" 1
564 1 31 TYR QD 1 56 SER HA . . 4.510 2.988 2.668 3.231 . 0 0 "[ . 1 . 2]" 1
565 1 31 TYR QD 1 59 TYR HB2 . . 4.190 2.523 2.378 2.711 . 0 0 "[ . 1 . 2]" 1
566 1 31 TYR QE 1 35 ALA HA . . 5.930 5.332 5.089 5.639 . 0 0 "[ . 1 . 2]" 1
567 1 31 TYR QE 1 35 ALA MB . . 4.430 3.266 2.888 3.479 . 0 0 "[ . 1 . 2]" 1
568 1 31 TYR QE 1 56 SER HA . . 4.060 2.005 1.883 2.201 . 0 0 "[ . 1 . 2]" 1
569 1 31 TYR QE 1 56 SER HB3 . . 5.930 2.739 2.125 3.966 . 0 0 "[ . 1 . 2]" 1
570 1 31 TYR QE 1 57 ALA H . . 6.500 5.193 5.009 5.475 . 0 0 "[ . 1 . 2]" 1
571 1 31 TYR QE 1 59 TYR HB2 . . 4.880 3.803 3.534 4.100 . 0 0 "[ . 1 . 2]" 1
572 1 31 TYR O 1 35 ALA H . . 2.200 1.822 1.776 1.915 . 0 0 "[ . 1 . 2]" 1
573 1 31 TYR O 1 35 ALA N . . 3.300 2.786 2.735 2.884 . 0 0 "[ . 1 . 2]" 1
574 1 32 ARG H 1 32 ARG QB . . 3.140 2.455 2.306 2.693 . 0 0 "[ . 1 . 2]" 1
575 1 32 ARG H 1 32 ARG QD . . 5.580 3.878 3.265 4.352 . 0 0 "[ . 1 . 2]" 1
576 1 32 ARG H 1 32 ARG HG3 . . 5.490 3.164 2.416 3.525 . 0 0 "[ . 1 . 2]" 1
577 1 32 ARG H 1 33 LYS H . . 3.650 2.754 2.716 2.795 . 0 0 "[ . 1 . 2]" 1
578 1 32 ARG H 1 34 CYS H . . 4.690 4.239 4.102 4.389 . 0 0 "[ . 1 . 2]" 1
579 1 32 ARG H 1 35 ALA MB . . 6.130 4.721 4.565 4.881 . 0 0 "[ . 1 . 2]" 1
580 1 32 ARG H 1 36 LEU H . . 5.730 5.724 5.628 5.846 0.116 15 0 "[ . 1 . 2]" 1
581 1 32 ARG H 1 59 TYR QE . . 5.800 5.474 5.026 5.846 0.046 4 0 "[ . 1 . 2]" 1
582 1 32 ARG HA 1 33 LYS H . . 4.350 3.541 3.511 3.582 . 0 0 "[ . 1 . 2]" 1
583 1 32 ARG HA 1 33 LYS HA . . 5.010 4.644 4.592 4.684 . 0 0 "[ . 1 . 2]" 1
584 1 32 ARG HA 1 34 CYS H . . 4.970 4.619 4.334 4.787 . 0 0 "[ . 1 . 2]" 1
585 1 32 ARG HA 1 35 ALA H . . 4.080 3.780 3.287 4.091 0.011 17 0 "[ . 1 . 2]" 1
586 1 32 ARG HA 1 35 ALA MB . . 4.210 2.923 2.477 3.364 . 0 0 "[ . 1 . 2]" 1
587 1 32 ARG HA 1 36 LEU HG . . 5.190 3.368 3.071 3.584 . 0 0 "[ . 1 . 2]" 1
588 1 32 ARG QB 1 33 LYS H . . 5.530 3.032 2.307 3.627 . 0 0 "[ . 1 . 2]" 1
589 1 32 ARG QB 1 33 LYS HA . . 5.460 4.153 3.730 4.546 . 0 0 "[ . 1 . 2]" 1
590 1 32 ARG QD 1 33 LYS QB . . 5.800 4.836 2.798 6.145 0.345 5 0 "[ . 1 . 2]" 1
591 1 32 ARG QD 1 36 LEU MD1 . . 5.560 3.001 1.982 3.940 . 0 0 "[ . 1 . 2]" 1
592 1 32 ARG QD 1 36 LEU QD . . 5.330 2.942 1.979 3.715 . 0 0 "[ . 1 . 2]" 1
593 1 32 ARG QD 1 36 LEU MD2 . . 6.780 4.655 4.013 5.223 . 0 0 "[ . 1 . 2]" 1
594 1 32 ARG QD 1 36 LEU HG . . 4.620 4.169 3.597 4.816 0.196 18 0 "[ . 1 . 2]" 1
595 1 32 ARG O 1 36 LEU H . . 2.200 2.000 1.808 2.263 0.063 14 0 "[ . 1 . 2]" 1
596 1 32 ARG O 1 36 LEU N . . 3.300 2.906 2.743 3.103 . 0 0 "[ . 1 . 2]" 1
597 1 33 LYS H 1 33 LYS QB . . 3.200 2.478 2.368 2.556 . 0 0 "[ . 1 . 2]" 1
598 1 33 LYS H 1 33 LYS HG2 . . 5.200 2.482 2.389 2.697 . 0 0 "[ . 1 . 2]" 1
599 1 33 LYS H 1 33 LYS HG3 . . 4.400 3.658 3.562 3.849 . 0 0 "[ . 1 . 2]" 1
600 1 33 LYS H 1 34 CYS H . . 3.450 2.611 2.547 2.643 . 0 0 "[ . 1 . 2]" 1
601 1 33 LYS H 1 35 ALA MB . . 6.390 4.958 4.826 5.168 . 0 0 "[ . 1 . 2]" 1
602 1 33 LYS H 1 36 LEU QD . . 6.390 4.461 4.235 4.639 . 0 0 "[ . 1 . 2]" 1
603 1 33 LYS HA 1 34 CYS H . . 3.480 3.543 3.533 3.553 0.073 7 0 "[ . 1 . 2]" 1
604 1 33 LYS HA 1 35 ALA H . . 5.320 4.569 4.455 4.747 . 0 0 "[ . 1 . 2]" 1
605 1 33 LYS HA 1 37 LYS H . . 3.460 3.546 3.489 3.602 0.142 13 0 "[ . 1 . 2]" 1
606 1 33 LYS HA 1 37 LYS HB2 . . 4.600 4.661 4.529 4.726 0.126 7 0 "[ . 1 . 2]" 1
607 1 33 LYS HA 1 37 LYS HD2 . . 3.960 4.051 3.942 4.135 0.175 18 0 "[ . 1 . 2]" 1
608 1 33 LYS HA 1 37 LYS HD3 . . 3.910 4.013 3.962 4.083 0.173 18 0 "[ . 1 . 2]" 1
609 1 33 LYS HA 1 37 LYS HG2 . . 5.140 4.758 4.540 4.922 . 0 0 "[ . 1 . 2]" 1
610 1 33 LYS QB 1 34 CYS H . . 3.840 3.438 3.395 3.472 . 0 0 "[ . 1 . 2]" 1
611 1 33 LYS QB 1 34 CYS HA . . 5.230 4.434 4.379 4.490 . 0 0 "[ . 1 . 2]" 1
612 1 33 LYS QB 1 37 LYS H . . 5.300 4.594 4.475 4.723 . 0 0 "[ . 1 . 2]" 1
613 1 33 LYS QB 1 37 LYS HD2 . . 3.800 2.583 2.373 2.832 . 0 0 "[ . 1 . 2]" 1
614 1 33 LYS HG3 1 34 CYS H . . 5.630 2.517 2.395 2.825 . 0 0 "[ . 1 . 2]" 1
615 1 33 LYS HG3 1 34 CYS HA . . 4.490 3.159 2.958 3.447 . 0 0 "[ . 1 . 2]" 1
616 1 33 LYS HG3 1 35 ALA H . . 5.250 5.033 4.894 5.287 0.037 18 0 "[ . 1 . 2]" 1
617 1 33 LYS HG3 1 37 LYS HD2 . . 5.350 3.648 3.487 3.877 . 0 0 "[ . 1 . 2]" 1
618 1 33 LYS HG3 1 37 LYS QE . . 5.360 4.649 4.002 4.958 . 0 0 "[ . 1 . 2]" 1
619 1 33 LYS HG3 1 37 LYS HG2 . . 5.360 5.554 5.500 5.681 0.321 10 0 "[ . 1 . 2]" 1
620 1 33 LYS HG3 1 37 LYS HG3 . . 4.430 4.418 4.339 4.487 0.057 18 0 "[ . 1 . 2]" 1
621 1 33 LYS O 1 37 LYS H . . 2.200 1.838 1.788 1.927 . 0 0 "[ . 1 . 2]" 1
622 1 33 LYS O 1 37 LYS N . . 3.300 2.761 2.710 2.848 . 0 0 "[ . 1 . 2]" 1
623 1 34 CYS H 1 34 CYS HB2 . . 3.580 2.484 2.412 2.554 . 0 0 "[ . 1 . 2]" 1
624 1 34 CYS H 1 34 CYS HB3 . . 3.840 3.093 2.550 3.617 . 0 0 "[ . 1 . 2]" 1
625 1 34 CYS H 1 35 ALA H . . 3.480 2.744 2.684 2.778 . 0 0 "[ . 1 . 2]" 1
626 1 34 CYS H 1 35 ALA MB . . 5.380 4.400 4.362 4.441 . 0 0 "[ . 1 . 2]" 1
627 1 34 CYS H 1 37 LYS H . . 5.240 4.672 4.645 4.712 . 0 0 "[ . 1 . 2]" 1
628 1 34 CYS H 1 37 LYS HB2 . . 4.870 4.922 4.887 4.996 0.126 17 0 "[ . 1 . 2]" 1
629 1 34 CYS HA 1 35 ALA H . . 4.030 3.551 3.541 3.562 . 0 0 "[ . 1 . 2]" 1
630 1 34 CYS HA 1 37 LYS H . . 4.890 3.781 3.697 3.956 . 0 0 "[ . 1 . 2]" 1
631 1 34 CYS HA 1 37 LYS HB2 . . 3.750 2.859 2.760 3.102 . 0 0 "[ . 1 . 2]" 1
632 1 34 CYS HA 1 37 LYS HD2 . . 5.240 4.731 4.526 5.057 . 0 0 "[ . 1 . 2]" 1
633 1 34 CYS HA 1 37 LYS HG3 . . 4.710 4.332 4.190 4.503 . 0 0 "[ . 1 . 2]" 1
634 1 34 CYS HB2 1 35 ALA H . . 3.750 3.210 2.576 3.822 0.072 14 0 "[ . 1 . 2]" 1
635 1 34 CYS HB2 1 35 ALA MB . . 6.000 4.613 3.957 5.243 . 0 0 "[ . 1 . 2]" 1
636 1 34 CYS HB2 1 55 ALA MB . . 4.900 2.978 2.375 3.590 . 0 0 "[ . 1 . 2]" 1
637 1 34 CYS HB3 1 35 ALA H . . 4.030 2.986 2.437 3.553 . 0 0 "[ . 1 . 2]" 1
638 1 34 CYS HB3 1 35 ALA MB . . 5.300 4.220 3.763 4.637 . 0 0 "[ . 1 . 2]" 1
639 1 34 CYS HB3 1 55 ALA MB . . 5.040 2.449 2.291 2.743 . 0 0 "[ . 1 . 2]" 1
640 1 34 CYS O 1 38 TYR H . . 2.200 2.138 1.956 2.258 0.058 20 0 "[ . 1 . 2]" 1
641 1 34 CYS O 1 38 TYR N . . 3.300 3.060 2.875 3.163 . 0 0 "[ . 1 . 2]" 1
642 1 35 ALA H 1 35 ALA MB . . 3.100 2.229 2.219 2.235 . 0 0 "[ . 1 . 2]" 1
643 1 35 ALA H 1 36 LEU H . . 3.520 2.702 2.664 2.739 . 0 0 "[ . 1 . 2]" 1
644 1 35 ALA H 1 36 LEU HG . . 5.340 4.763 4.646 4.858 . 0 0 "[ . 1 . 2]" 1
645 1 35 ALA H 1 37 LYS H . . 4.570 4.132 4.069 4.174 . 0 0 "[ . 1 . 2]" 1
646 1 35 ALA H 1 37 LYS HB2 . . 5.250 5.144 5.011 5.245 . 0 0 "[ . 1 . 2]" 1
647 1 35 ALA H 1 38 TYR H . . 5.560 4.833 4.717 4.954 . 0 0 "[ . 1 . 2]" 1
648 1 35 ALA H 1 55 ALA MB . . 5.480 3.703 3.392 4.107 . 0 0 "[ . 1 . 2]" 1
649 1 35 ALA HA 1 36 LEU H . . 4.350 3.541 3.519 3.563 . 0 0 "[ . 1 . 2]" 1
650 1 35 ALA HA 1 39 HIS HB2 . . 5.660 5.309 4.915 5.670 0.010 14 0 "[ . 1 . 2]" 1
651 1 35 ALA HA 1 39 HIS HB3 . . 4.970 3.829 3.337 4.351 . 0 0 "[ . 1 . 2]" 1
652 1 35 ALA HA 1 52 PHE H . . 5.250 5.352 5.227 5.535 0.285 20 0 "[ . 1 . 2]" 1
653 1 35 ALA HA 1 52 PHE HB2 . . 4.310 3.685 3.319 3.812 . 0 0 "[ . 1 . 2]" 1
654 1 35 ALA HA 1 52 PHE HB3 . . 5.100 5.133 4.938 5.192 0.092 16 0 "[ . 1 . 2]" 1
655 1 35 ALA HA 1 52 PHE QD . . 3.970 2.129 1.892 2.528 . 0 0 "[ . 1 . 2]" 1
656 1 35 ALA HA 1 55 ALA MB . . 5.000 3.837 3.482 4.228 . 0 0 "[ . 1 . 2]" 1
657 1 35 ALA MB 1 36 LEU H . . 3.570 2.386 2.361 2.439 . 0 0 "[ . 1 . 2]" 1
658 1 35 ALA MB 1 36 LEU HA . . 5.650 3.783 3.764 3.808 . 0 0 "[ . 1 . 2]" 1
659 1 35 ALA MB 1 36 LEU HB2 . . 6.210 4.424 4.358 4.523 . 0 0 "[ . 1 . 2]" 1
660 1 35 ALA MB 1 36 LEU HB3 . . 6.380 5.196 5.146 5.278 . 0 0 "[ . 1 . 2]" 1
661 1 35 ALA MB 1 52 PHE QD . . 4.960 2.639 2.278 2.942 . 0 0 "[ . 1 . 2]" 1
662 1 35 ALA MB 1 52 PHE QE . . 4.500 2.009 1.886 2.134 . 0 0 "[ . 1 . 2]" 1
663 1 35 ALA MB 1 52 PHE HZ . . 4.680 3.866 3.467 4.229 . 0 0 "[ . 1 . 2]" 1
664 1 35 ALA O 1 39 HIS N . . 3.300 2.707 2.611 2.867 . 0 0 "[ . 1 . 2]" 1
665 1 36 LEU H 1 36 LEU HB2 . . 3.500 2.462 2.445 2.513 . 0 0 "[ . 1 . 2]" 1
666 1 36 LEU H 1 36 LEU HB3 . . 3.520 3.626 3.608 3.641 0.121 14 0 "[ . 1 . 2]" 1
667 1 36 LEU H 1 36 LEU MD1 . . 5.300 3.669 3.602 3.753 . 0 0 "[ . 1 . 2]" 1
668 1 36 LEU H 1 36 LEU QD . . 4.660 3.199 3.100 3.253 . 0 0 "[ . 1 . 2]" 1
669 1 36 LEU H 1 36 LEU MD2 . . 4.630 3.527 3.305 3.608 . 0 0 "[ . 1 . 2]" 1
670 1 36 LEU H 1 36 LEU HG . . 3.500 2.485 2.422 2.565 . 0 0 "[ . 1 . 2]" 1
671 1 36 LEU H 1 37 LYS H . . 3.510 2.696 2.665 2.747 . 0 0 "[ . 1 . 2]" 1
672 1 36 LEU H 1 39 HIS HB3 . . 4.670 4.661 4.539 4.769 0.099 3 0 "[ . 1 . 2]" 1
673 1 36 LEU HA 1 36 LEU HG . . 3.860 2.989 2.949 3.122 . 0 0 "[ . 1 . 2]" 1
674 1 36 LEU HA 1 37 LYS H . . 3.980 3.504 3.494 3.530 . 0 0 "[ . 1 . 2]" 1
675 1 36 LEU HA 1 39 HIS H . . 4.710 3.715 3.542 3.900 . 0 0 "[ . 1 . 2]" 1
676 1 36 LEU HA 1 39 HIS HB2 . . 5.340 4.619 4.170 5.070 . 0 0 "[ . 1 . 2]" 1
677 1 36 LEU HA 1 39 HIS HB3 . . 4.040 3.213 2.649 3.810 . 0 0 "[ . 1 . 2]" 1
678 1 36 LEU HB2 1 37 LYS H . . 3.920 2.734 2.605 2.856 . 0 0 "[ . 1 . 2]" 1
679 1 36 LEU HB3 1 37 LYS H . . 5.650 3.594 3.501 3.698 . 0 0 "[ . 1 . 2]" 1
680 1 36 LEU QD 1 37 LYS H . . 5.410 4.153 4.076 4.225 . 0 0 "[ . 1 . 2]" 1
681 1 36 LEU MD2 1 37 LYS H . . 6.000 4.713 4.645 4.751 . 0 0 "[ . 1 . 2]" 1
682 1 37 LYS H 1 37 LYS HB2 . . 3.470 2.360 2.320 2.392 . 0 0 "[ . 1 . 2]" 1
683 1 37 LYS H 1 37 LYS HB3 . . 3.660 3.571 3.550 3.598 . 0 0 "[ . 1 . 2]" 1
684 1 37 LYS H 1 37 LYS HG2 . . 4.020 3.729 3.671 3.797 . 0 0 "[ . 1 . 2]" 1
685 1 37 LYS H 1 37 LYS HG3 . . 5.330 2.439 2.402 2.478 . 0 0 "[ . 1 . 2]" 1
686 1 37 LYS H 1 38 TYR H . . 3.470 2.735 2.648 2.777 . 0 0 "[ . 1 . 2]" 1
687 1 37 LYS H 1 39 HIS HD2 . . 5.290 5.312 5.133 5.428 0.138 14 0 "[ . 1 . 2]" 1
688 1 37 LYS HA 1 38 TYR H . . 3.830 3.576 3.539 3.599 . 0 0 "[ . 1 . 2]" 1
689 1 37 LYS HB2 1 37 LYS QE . . 4.330 2.785 2.715 2.859 . 0 0 "[ . 1 . 2]" 1
690 1 37 LYS HB2 1 38 TYR H . . 4.090 2.779 2.692 2.831 . 0 0 "[ . 1 . 2]" 1
691 1 37 LYS HB2 1 51 LYS HE3 . . 5.310 5.355 5.191 5.457 0.147 4 0 "[ . 1 . 2]" 1
692 1 37 LYS HB3 1 38 TYR H . . 4.040 3.612 3.547 3.660 . 0 0 "[ . 1 . 2]" 1
693 1 37 LYS HB3 1 38 TYR HA . . 6.010 4.503 4.427 4.587 . 0 0 "[ . 1 . 2]" 1
694 1 37 LYS HG2 1 38 TYR H . . 5.360 5.186 5.151 5.229 . 0 0 "[ . 1 . 2]" 1
695 1 37 LYS HG3 1 38 TYR QE . . 5.530 5.258 4.862 5.585 0.055 2 0 "[ . 1 . 2]" 1
696 1 38 TYR H 1 38 TYR HB3 . . 3.890 3.723 3.678 3.760 . 0 0 "[ . 1 . 2]" 1
697 1 38 TYR H 1 38 TYR QD . . 4.870 2.785 2.654 3.000 . 0 0 "[ . 1 . 2]" 1
698 1 38 TYR H 1 38 TYR QE . . 5.530 4.793 4.556 5.023 . 0 0 "[ . 1 . 2]" 1
699 1 38 TYR H 1 39 HIS H . . 3.600 2.530 2.456 2.650 . 0 0 "[ . 1 . 2]" 1
700 1 38 TYR H 1 39 HIS HB2 . . 5.820 5.914 5.832 5.961 0.141 4 0 "[ . 1 . 2]" 1
701 1 38 TYR H 1 39 HIS HB3 . . 5.720 4.520 4.415 4.577 . 0 0 "[ . 1 . 2]" 1
702 1 38 TYR H 1 48 ALA MB . . 6.130 4.853 4.680 5.053 . 0 0 "[ . 1 . 2]" 1
703 1 38 TYR H 1 51 LYS HE3 . . 4.970 5.171 5.013 5.299 0.329 16 0 "[ . 1 . 2]" 1
704 1 38 TYR HA 1 38 TYR QD . . 4.180 2.861 2.628 2.952 . 0 0 "[ . 1 . 2]" 1
705 1 38 TYR HA 1 39 HIS H . . 3.700 3.087 2.960 3.177 . 0 0 "[ . 1 . 2]" 1
706 1 38 TYR HA 1 43 ASN H . . 5.040 4.973 4.800 5.165 0.125 18 0 "[ . 1 . 2]" 1
707 1 38 TYR HA 1 43 ASN HA . . 5.000 5.219 5.112 5.406 0.406 18 0 "[ . 1 . 2]" 1
708 1 38 TYR HA 1 43 ASN HB2 . . 4.150 3.063 2.868 3.185 . 0 0 "[ . 1 . 2]" 1
709 1 38 TYR HA 1 43 ASN HB3 . . 3.950 3.376 3.190 3.524 . 0 0 "[ . 1 . 2]" 1
710 1 38 TYR HA 1 48 ALA MB . . 3.980 2.740 2.442 3.130 . 0 0 "[ . 1 . 2]" 1
711 1 38 TYR HB3 1 38 TYR QE . . 4.700 4.439 4.420 4.482 . 0 0 "[ . 1 . 2]" 1
712 1 38 TYR HB3 1 39 HIS H . . 5.590 4.409 4.348 4.458 . 0 0 "[ . 1 . 2]" 1
713 1 38 TYR HB3 1 48 ALA HA . . 4.420 2.428 2.138 2.778 . 0 0 "[ . 1 . 2]" 1
714 1 38 TYR HB3 1 48 ALA MB . . 4.970 2.020 1.851 2.192 . 0 0 "[ . 1 . 2]" 1
715 1 38 TYR HB3 1 51 LYS HE2 . . 4.290 4.350 4.108 4.436 0.146 14 0 "[ . 1 . 2]" 1
716 1 38 TYR HB3 1 52 PHE H . . 5.030 4.192 4.018 4.671 . 0 0 "[ . 1 . 2]" 1
717 1 38 TYR HB3 1 52 PHE HA . . 5.360 5.379 5.262 5.456 0.096 16 0 "[ . 1 . 2]" 1
718 1 38 TYR HB3 1 52 PHE HB2 . . 4.190 4.348 4.241 4.424 0.234 8 0 "[ . 1 . 2]" 1
719 1 38 TYR QD 1 39 HIS H . . 5.620 4.853 4.747 4.961 . 0 0 "[ . 1 . 2]" 1
720 1 38 TYR QD 1 48 ALA H . . 5.500 4.643 4.155 5.141 . 0 0 "[ . 1 . 2]" 1
721 1 38 TYR QD 1 48 ALA HA . . 4.840 2.917 2.459 3.368 . 0 0 "[ . 1 . 2]" 1
722 1 38 TYR QD 1 48 ALA MB . . 4.710 2.251 1.925 2.646 . 0 0 "[ . 1 . 2]" 1
723 1 38 TYR QD 1 51 LYS HD3 . . 5.000 3.032 2.622 3.350 . 0 0 "[ . 1 . 2]" 1
724 1 38 TYR QD 1 51 LYS HE3 . . 4.860 2.913 2.787 3.083 . 0 0 "[ . 1 . 2]" 1
725 1 38 TYR QE 1 48 ALA HA . . 5.000 4.707 4.306 5.087 0.087 20 0 "[ . 1 . 2]" 1
726 1 38 TYR QE 1 48 ALA MB . . 4.500 4.024 3.584 4.448 . 0 0 "[ . 1 . 2]" 1
727 1 38 TYR QE 1 51 LYS HD3 . . 5.820 3.900 3.668 4.174 . 0 0 "[ . 1 . 2]" 1
728 1 38 TYR QE 1 51 LYS HE2 . . 4.510 2.987 2.889 3.155 . 0 0 "[ . 1 . 2]" 1
729 1 38 TYR QE 1 51 LYS HE3 . . 4.140 3.652 3.286 4.079 . 0 0 "[ . 1 . 2]" 1
730 1 39 HIS H 1 39 HIS HB2 . . 3.830 3.627 3.595 3.682 . 0 0 "[ . 1 . 2]" 1
731 1 39 HIS H 1 39 HIS HB3 . . 3.610 2.621 2.538 2.744 . 0 0 "[ . 1 . 2]" 1
732 1 39 HIS H 1 40 PRO HD2 . . 5.530 4.871 4.706 5.293 . 0 0 "[ . 1 . 2]" 1
733 1 39 HIS H 1 42 LYS H . . 5.110 5.098 4.897 5.307 0.197 4 0 "[ . 1 . 2]" 1
734 1 39 HIS H 1 42 LYS HB2 . . 5.000 5.004 4.795 5.155 0.155 20 0 "[ . 1 . 2]" 1
735 1 39 HIS H 1 43 ASN H . . 5.050 4.734 4.554 4.887 . 0 0 "[ . 1 . 2]" 1
736 1 39 HIS H 1 48 ALA MB . . 5.800 4.673 4.466 4.898 . 0 0 "[ . 1 . 2]" 1
737 1 39 HIS HA 1 39 HIS HD2 . . 4.620 3.986 3.952 4.018 . 0 0 "[ . 1 . 2]" 1
738 1 39 HIS HA 1 40 PRO HD2 . . 5.540 2.283 2.061 2.744 . 0 0 "[ . 1 . 2]" 1
739 1 39 HIS HA 1 40 PRO HD3 . . 3.600 2.287 1.874 2.432 . 0 0 "[ . 1 . 2]" 1
740 1 39 HIS HA 1 40 PRO HG3 . . 4.630 4.364 4.014 4.520 . 0 0 "[ . 1 . 2]" 1
741 1 39 HIS HA 1 41 ASP QB . . 6.200 5.332 5.023 6.216 0.016 4 0 "[ . 1 . 2]" 1
742 1 39 HIS HA 1 43 ASN HB2 . . 4.660 4.414 4.317 4.549 . 0 0 "[ . 1 . 2]" 1
743 1 39 HIS HA 1 52 PHE QD . . 5.520 2.822 2.170 3.943 . 0 0 "[ . 1 . 2]" 1
744 1 39 HIS HB2 1 39 HIS HD2 . . 4.010 3.850 3.813 3.890 . 0 0 "[ . 1 . 2]" 1
745 1 39 HIS HB3 1 39 HIS HD2 . . 4.010 3.542 3.452 3.600 . 0 0 "[ . 1 . 2]" 1
746 1 39 HIS HD2 1 40 PRO HD2 . . 5.800 5.473 5.346 5.788 . 0 0 "[ . 1 . 2]" 1
747 1 39 HIS HD2 1 43 ASN HB2 . . 4.620 3.609 3.502 3.698 . 0 0 "[ . 1 . 2]" 1
748 1 39 HIS HD2 1 43 ASN HB3 . . 4.740 4.946 4.803 5.063 0.323 9 0 "[ . 1 . 2]" 1
749 1 39 HIS HD2 1 52 PHE QD . . 7.500 5.961 5.308 6.931 . 0 0 "[ . 1 . 2]" 1
750 1 39 HIS HE1 1 41 ASP QB . . 5.190 3.646 2.842 5.351 0.161 1 0 "[ . 1 . 2]" 1
751 1 39 HIS HE1 1 42 LYS H . . 5.480 4.907 4.523 5.379 . 0 0 "[ . 1 . 2]" 1
752 1 39 HIS HE1 1 42 LYS HB3 . . 4.730 4.823 4.734 4.907 0.177 7 0 "[ . 1 . 2]" 1
753 1 39 HIS O 1 43 ASN H . . 2.200 1.811 1.762 1.880 . 0 0 "[ . 1 . 2]" 1
754 1 39 HIS O 1 43 ASN N . . 3.300 2.723 2.703 2.753 . 0 0 "[ . 1 . 2]" 1
755 1 40 PRO HA 1 43 ASN H . . 3.810 3.325 3.158 3.490 . 0 0 "[ . 1 . 2]" 1
756 1 40 PRO HA 1 43 ASN HB2 . . 4.430 3.400 3.265 3.565 . 0 0 "[ . 1 . 2]" 1
757 1 40 PRO HA 1 44 PRO HA . . 3.810 3.861 3.746 3.992 0.182 6 0 "[ . 1 . 2]" 1
758 1 40 PRO HB3 1 40 PRO HD2 . . 4.280 3.860 3.850 3.875 . 0 0 "[ . 1 . 2]" 1
759 1 40 PRO HD3 1 43 ASN HB2 . . 5.110 5.015 4.917 5.153 0.043 17 0 "[ . 1 . 2]" 1
760 1 42 LYS H 1 42 LYS HB3 . . 3.890 3.856 3.808 3.935 0.045 12 0 "[ . 1 . 2]" 1
761 1 42 LYS H 1 42 LYS QD . . 5.600 4.395 3.918 5.102 . 0 0 "[ . 1 . 2]" 1
762 1 42 LYS H 1 42 LYS QE . . 5.800 5.291 4.734 5.851 0.051 13 0 "[ . 1 . 2]" 1
763 1 42 LYS H 1 42 LYS HG2 . . 4.150 3.810 3.083 4.296 0.146 9 0 "[ . 1 . 2]" 1
764 1 42 LYS H 1 42 LYS HG3 . . 4.600 3.885 3.285 4.651 0.051 6 0 "[ . 1 . 2]" 1
765 1 42 LYS H 1 43 ASN HB2 . . 5.510 3.909 3.853 3.977 . 0 0 "[ . 1 . 2]" 1
766 1 42 LYS HA 1 42 LYS HG3 . . 3.810 3.368 2.962 3.779 . 0 0 "[ . 1 . 2]" 1
767 1 42 LYS HB3 1 43 ASN H . . 4.170 3.889 3.693 4.042 . 0 0 "[ . 1 . 2]" 1
768 1 42 LYS HG2 1 43 ASN H . . 5.740 4.819 4.293 5.194 . 0 0 "[ . 1 . 2]" 1
769 1 43 ASN H 1 43 ASN HB2 . . 3.860 2.455 2.372 2.520 . 0 0 "[ . 1 . 2]" 1
770 1 43 ASN H 1 43 ASN HB3 . . 3.780 3.639 3.580 3.689 . 0 0 "[ . 1 . 2]" 1
771 1 43 ASN H 1 44 PRO QD . . 5.560 3.993 3.898 4.105 . 0 0 "[ . 1 . 2]" 1
772 1 43 ASN HA 1 44 PRO HD2 . . 5.350 2.108 2.051 2.239 . 0 0 "[ . 1 . 2]" 1
773 1 43 ASN HA 1 44 PRO QD . . 5.350 1.958 1.936 2.000 . 0 0 "[ . 1 . 2]" 1
774 1 43 ASN HB2 1 48 ALA MB . . 3.700 2.697 2.518 2.949 . 0 0 "[ . 1 . 2]" 1
775 1 43 ASN HB3 1 43 ASN HD22 . . 4.200 3.642 3.443 4.017 . 0 0 "[ . 1 . 2]" 1
776 1 43 ASN HB3 1 48 ALA MB . . 4.400 2.379 2.145 2.680 . 0 0 "[ . 1 . 2]" 1
777 1 43 ASN HD22 1 48 ALA MB . . 6.330 4.467 3.761 5.011 . 0 0 "[ . 1 . 2]" 1
778 1 44 PRO HA 1 45 SER H . . 3.760 3.424 3.330 3.464 . 0 0 "[ . 1 . 2]" 1
779 1 44 PRO QB 1 44 PRO HD3 . . 3.610 2.896 2.859 2.945 . 0 0 "[ . 1 . 2]" 1
780 1 44 PRO QB 1 45 SER H . . 4.230 3.581 3.499 3.734 . 0 0 "[ . 1 . 2]" 1
781 1 44 PRO QD 1 45 SER H . . 5.270 2.659 2.451 2.783 . 0 0 "[ . 1 . 2]" 1
782 1 44 PRO HD2 1 45 SER H . . 5.750 2.705 2.483 2.838 . 0 0 "[ . 1 . 2]" 1
783 1 44 PRO HG2 1 45 SER H . . 5.410 2.929 2.788 3.264 . 0 0 "[ . 1 . 2]" 1
784 1 45 SER H 1 45 SER HB2 . . 3.280 2.931 2.636 3.482 0.202 6 0 "[ . 1 . 2]" 1
785 1 45 SER H 1 45 SER HB3 . . 3.500 3.383 2.898 3.573 0.073 1 0 "[ . 1 . 2]" 1
786 1 45 SER H 1 46 GLU H . . 5.650 4.476 4.431 4.514 . 0 0 "[ . 1 . 2]" 1
787 1 45 SER H 1 47 GLU H . . 5.640 5.620 5.477 5.735 0.095 18 0 "[ . 1 . 2]" 1
788 1 45 SER H 1 48 ALA MB . . 3.770 3.201 3.088 3.391 . 0 0 "[ . 1 . 2]" 1
789 1 45 SER H 1 49 ALA H . . 5.110 5.095 4.935 5.196 0.086 15 0 "[ . 1 . 2]" 1
790 1 45 SER HA 1 46 GLU H . . 3.230 2.059 2.022 2.097 . 0 0 "[ . 1 . 2]" 1
791 1 45 SER HA 1 46 GLU HA . . 4.200 4.271 4.224 4.303 0.103 12 0 "[ . 1 . 2]" 1
792 1 45 SER HA 1 46 GLU QB . . 5.170 4.250 3.968 4.344 . 0 0 "[ . 1 . 2]" 1
793 1 45 SER HA 1 46 GLU HG2 . . 6.320 5.156 3.847 6.385 0.065 3 0 "[ . 1 . 2]" 1
794 1 45 SER HA 1 47 GLU H . . 3.880 3.910 3.744 4.047 0.167 14 0 "[ . 1 . 2]" 1
795 1 45 SER HA 1 47 GLU QG . . 6.000 5.271 4.652 5.589 . 0 0 "[ . 1 . 2]" 1
796 1 45 SER HA 1 48 ALA H . . 4.300 4.368 4.296 4.461 0.161 14 0 "[ . 1 . 2]" 1
797 1 45 SER HB2 1 46 GLU H . . 3.230 3.599 3.124 3.791 0.561 17 9 "[* *-. *** . +* *]" 1
798 1 45 SER HB2 1 46 GLU HA . . 4.940 4.902 4.741 5.050 0.110 1 0 "[ . 1 . 2]" 1
799 1 45 SER HB2 1 46 GLU QB . . 5.300 5.130 4.458 5.503 0.203 11 0 "[ . 1 . 2]" 1
800 1 45 SER HB2 1 47 GLU H . . 3.590 3.337 2.599 3.632 0.042 10 0 "[ . 1 . 2]" 1
801 1 45 SER HB2 1 47 GLU HB2 . . 4.150 3.304 2.454 3.812 . 0 0 "[ . 1 . 2]" 1
802 1 45 SER HB2 1 48 ALA H . . 4.300 2.274 2.057 2.444 . 0 0 "[ . 1 . 2]" 1
803 1 45 SER HB2 1 48 ALA HA . . 4.810 4.360 4.107 4.895 0.085 12 0 "[ . 1 . 2]" 1
804 1 45 SER HB2 1 48 ALA MB . . 4.350 2.401 2.015 3.278 . 0 0 "[ . 1 . 2]" 1
805 1 45 SER HB3 1 46 GLU H . . 3.620 3.233 2.849 3.870 0.250 15 0 "[ . 1 . 2]" 1
806 1 45 SER HB3 1 47 GLU H . . 4.950 3.388 2.870 4.240 . 0 0 "[ . 1 . 2]" 1
807 1 45 SER HB3 1 48 ALA H . . 3.950 3.390 2.954 4.105 0.155 15 0 "[ . 1 . 2]" 1
808 1 45 SER O 1 49 ALA H . . 2.200 2.183 2.065 2.269 0.069 20 0 "[ . 1 . 2]" 1
809 1 45 SER O 1 49 ALA N . . 3.300 3.107 2.996 3.200 . 0 0 "[ . 1 . 2]" 1
810 1 46 GLU H 1 46 GLU QB . . 3.460 2.392 2.223 2.530 . 0 0 "[ . 1 . 2]" 1
811 1 46 GLU H 1 46 GLU HG2 . . 4.230 3.402 2.080 4.403 0.173 3 0 "[ . 1 . 2]" 1
812 1 46 GLU H 1 47 GLU H . . 3.870 2.626 2.569 2.672 . 0 0 "[ . 1 . 2]" 1
813 1 46 GLU H 1 48 ALA H . . 5.130 4.079 4.029 4.147 . 0 0 "[ . 1 . 2]" 1
814 1 46 GLU HA 1 47 GLU H . . 3.930 3.487 3.458 3.520 . 0 0 "[ . 1 . 2]" 1
815 1 46 GLU HA 1 49 ALA H . . 4.270 3.390 3.030 3.553 . 0 0 "[ . 1 . 2]" 1
816 1 46 GLU HA 1 49 ALA MB . . 4.110 2.568 2.312 2.700 . 0 0 "[ . 1 . 2]" 1
817 1 46 GLU QB 1 47 GLU H . . 3.090 2.688 2.393 3.445 0.355 19 0 "[ . 1 . 2]" 1
818 1 46 GLU QB 1 47 GLU HA . . 5.220 4.013 3.796 4.478 . 0 0 "[ . 1 . 2]" 1
819 1 46 GLU HG3 1 49 ALA MB . . 6.000 4.737 3.327 5.599 . 0 0 "[ . 1 . 2]" 1
820 1 46 GLU O 1 50 GLU H . . 2.200 1.899 1.759 1.966 . 0 0 "[ . 1 . 2]" 1
821 1 46 GLU O 1 50 GLU N . . 3.300 2.791 2.694 2.856 . 0 0 "[ . 1 . 2]" 1
822 1 47 GLU H 1 47 GLU HB2 . . 3.090 2.380 2.334 2.521 . 0 0 "[ . 1 . 2]" 1
823 1 47 GLU H 1 47 GLU HB3 . . 3.460 3.542 3.519 3.573 0.113 4 0 "[ . 1 . 2]" 1
824 1 47 GLU H 1 47 GLU QG . . 3.790 2.212 1.982 2.291 . 0 0 "[ . 1 . 2]" 1
825 1 47 GLU H 1 48 ALA H . . 3.610 2.609 2.557 2.669 . 0 0 "[ . 1 . 2]" 1
826 1 47 GLU H 1 48 ALA MB . . 5.440 4.287 4.225 4.352 . 0 0 "[ . 1 . 2]" 1
827 1 47 GLU H 1 49 ALA H . . 4.930 4.048 3.911 4.122 . 0 0 "[ . 1 . 2]" 1
828 1 47 GLU H 1 50 GLU H . . 5.230 4.502 4.421 4.536 . 0 0 "[ . 1 . 2]" 1
829 1 47 GLU H 1 50 GLU HG3 . . 3.790 3.969 3.914 4.046 0.256 7 0 "[ . 1 . 2]" 1
830 1 47 GLU HA 1 48 ALA H . . 3.920 3.484 3.470 3.513 . 0 0 "[ . 1 . 2]" 1
831 1 47 GLU HA 1 48 ALA MB . . 5.800 5.008 4.991 5.034 . 0 0 "[ . 1 . 2]" 1
832 1 47 GLU HA 1 49 ALA H . . 5.280 4.356 4.176 4.488 . 0 0 "[ . 1 . 2]" 1
833 1 47 GLU HA 1 50 GLU H . . 3.240 3.211 2.981 3.385 0.145 7 0 "[ . 1 . 2]" 1
834 1 47 GLU HA 1 50 GLU QB . . 3.560 2.528 2.403 2.678 . 0 0 "[ . 1 . 2]" 1
835 1 47 GLU HA 1 51 LYS H . . 3.980 4.040 3.991 4.150 0.170 19 0 "[ . 1 . 2]" 1
836 1 47 GLU HB2 1 48 ALA H . . 3.830 2.465 2.315 2.577 . 0 0 "[ . 1 . 2]" 1
837 1 47 GLU HB2 1 48 ALA HA . . 4.420 4.232 3.994 4.375 . 0 0 "[ . 1 . 2]" 1
838 1 47 GLU HB2 1 49 ALA H . . 4.630 4.799 4.698 4.866 0.236 13 0 "[ . 1 . 2]" 1
839 1 47 GLU HB2 1 50 GLU H . . 5.160 5.208 5.134 5.274 0.114 15 0 "[ . 1 . 2]" 1
840 1 47 GLU HB3 1 48 ALA H . . 3.810 3.492 3.400 3.582 . 0 0 "[ . 1 . 2]" 1
841 1 47 GLU HB3 1 50 GLU QB . . 4.600 4.062 3.854 4.347 . 0 0 "[ . 1 . 2]" 1
842 1 47 GLU QG 1 48 ALA H . . 4.310 3.983 3.711 4.066 . 0 0 "[ . 1 . 2]" 1
843 1 47 GLU O 1 51 LYS H . . 2.200 1.895 1.853 1.949 . 0 0 "[ . 1 . 2]" 1
844 1 47 GLU O 1 51 LYS N . . 3.300 2.826 2.779 2.883 . 0 0 "[ . 1 . 2]" 1
845 1 48 ALA H 1 48 ALA MB . . 3.160 2.250 2.229 2.267 . 0 0 "[ . 1 . 2]" 1
846 1 48 ALA H 1 49 ALA H . . 3.600 2.518 2.491 2.537 . 0 0 "[ . 1 . 2]" 1
847 1 48 ALA H 1 49 ALA HA . . 5.150 5.189 5.176 5.204 0.054 13 0 "[ . 1 . 2]" 1
848 1 48 ALA H 1 50 GLU HG3 . . 4.310 4.612 4.540 4.728 0.418 15 0 "[ . 1 . 2]" 1
849 1 48 ALA H 1 51 LYS HD3 . . 5.040 4.595 4.456 4.970 . 0 0 "[ . 1 . 2]" 1
850 1 48 ALA HA 1 49 ALA H . . 3.080 3.414 3.402 3.438 0.358 15 0 "[ . 1 . 2]" 1
851 1 48 ALA HA 1 51 LYS H . . 3.440 3.387 3.300 3.461 0.021 9 0 "[ . 1 . 2]" 1
852 1 48 ALA HA 1 51 LYS HB2 . . 4.240 2.958 2.577 4.582 0.342 17 0 "[ . 1 . 2]" 1
853 1 48 ALA HA 1 51 LYS HB3 . . 4.220 4.177 3.560 4.283 0.063 9 0 "[ . 1 . 2]" 1
854 1 48 ALA HA 1 51 LYS HD2 . . 3.840 3.579 2.856 3.855 0.015 9 0 "[ . 1 . 2]" 1
855 1 48 ALA HA 1 51 LYS HD3 . . 4.230 2.174 2.025 2.286 . 0 0 "[ . 1 . 2]" 1
856 1 48 ALA HA 1 52 PHE H . . 4.350 4.195 3.955 4.301 . 0 0 "[ . 1 . 2]" 1
857 1 48 ALA MB 1 49 ALA H . . 4.350 2.398 2.355 2.456 . 0 0 "[ . 1 . 2]" 1
858 1 48 ALA MB 1 49 ALA HA . . 5.220 3.824 3.792 3.858 . 0 0 "[ . 1 . 2]" 1
859 1 48 ALA MB 1 51 LYS H . . 5.600 4.557 4.482 4.632 . 0 0 "[ . 1 . 2]" 1
860 1 48 ALA MB 1 52 PHE H . . 5.500 4.636 4.506 4.707 . 0 0 "[ . 1 . 2]" 1
861 1 48 ALA MB 1 52 PHE HB2 . . 5.630 4.743 4.264 4.935 . 0 0 "[ . 1 . 2]" 1
862 1 48 ALA O 1 52 PHE H . . 2.200 2.032 1.929 2.103 . 0 0 "[ . 1 . 2]" 1
863 1 48 ALA O 1 52 PHE N . . 3.300 2.938 2.806 3.026 . 0 0 "[ . 1 . 2]" 1
864 1 49 ALA H 1 49 ALA MB . . 3.270 2.260 2.239 2.283 . 0 0 "[ . 1 . 2]" 1
865 1 49 ALA H 1 50 GLU H . . 3.480 2.615 2.574 2.687 . 0 0 "[ . 1 . 2]" 1
866 1 49 ALA H 1 50 GLU HA . . 5.460 5.253 5.222 5.299 . 0 0 "[ . 1 . 2]" 1
867 1 49 ALA H 1 50 GLU QB . . 5.560 4.649 4.593 4.739 . 0 0 "[ . 1 . 2]" 1
868 1 49 ALA H 1 51 LYS HD3 . . 5.360 5.482 5.383 5.556 0.196 15 0 "[ . 1 . 2]" 1
869 1 49 ALA HA 1 52 PHE H . . 4.550 3.300 3.181 3.469 . 0 0 "[ . 1 . 2]" 1
870 1 49 ALA HA 1 52 PHE HB2 . . 4.190 3.112 2.934 3.319 . 0 0 "[ . 1 . 2]" 1
871 1 49 ALA HA 1 52 PHE HB3 . . 4.190 2.616 2.395 2.835 . 0 0 "[ . 1 . 2]" 1
872 1 49 ALA HA 1 53 LYS H . . 4.460 4.222 4.011 4.445 . 0 0 "[ . 1 . 2]" 1
873 1 49 ALA MB 1 50 GLU H . . 3.380 2.544 2.493 2.604 . 0 0 "[ . 1 . 2]" 1
874 1 49 ALA MB 1 51 LYS H . . 5.640 4.511 4.461 4.595 . 0 0 "[ . 1 . 2]" 1
875 1 49 ALA MB 1 52 PHE HB3 . . 5.290 3.820 3.698 3.926 . 0 0 "[ . 1 . 2]" 1
876 1 49 ALA MB 1 53 LYS QE . . 6.500 4.527 3.439 6.104 . 0 0 "[ . 1 . 2]" 1
877 1 49 ALA O 1 53 LYS H . . 2.200 2.040 1.942 2.237 0.037 20 0 "[ . 1 . 2]" 1
878 1 49 ALA O 1 53 LYS N . . 3.300 2.973 2.884 3.116 . 0 0 "[ . 1 . 2]" 1
879 1 50 GLU H 1 50 GLU QB . . 2.930 2.510 2.466 2.534 . 0 0 "[ . 1 . 2]" 1
880 1 50 GLU H 1 51 LYS HA . . 5.280 5.259 5.219 5.282 0.002 15 0 "[ . 1 . 2]" 1
881 1 50 GLU H 1 52 PHE H . . 4.660 4.014 3.916 4.080 . 0 0 "[ . 1 . 2]" 1
882 1 50 GLU HA 1 51 LYS H . . 3.680 3.501 3.485 3.526 . 0 0 "[ . 1 . 2]" 1
883 1 50 GLU QB 1 51 LYS QG . . 4.520 3.306 3.024 4.351 . 0 0 "[ . 1 . 2]" 1
884 1 50 GLU HG2 1 51 LYS H . . 4.590 4.713 4.656 4.761 0.171 14 0 "[ . 1 . 2]" 1
885 1 50 GLU O 1 54 GLU H . . 2.200 1.998 1.832 2.270 0.070 20 0 "[ . 1 . 2]" 1
886 1 50 GLU O 1 54 GLU N . . 3.300 2.937 2.785 3.210 . 0 0 "[ . 1 . 2]" 1
887 1 51 LYS H 1 51 LYS HD2 . . 4.750 4.488 3.881 4.650 . 0 0 "[ . 1 . 2]" 1
888 1 51 LYS H 1 51 LYS HD3 . . 4.970 3.926 3.741 4.525 . 0 0 "[ . 1 . 2]" 1
889 1 51 LYS H 1 51 LYS QG . . 3.360 2.253 1.964 2.340 . 0 0 "[ . 1 . 2]" 1
890 1 51 LYS H 1 52 PHE H . . 3.870 2.636 2.554 2.686 . 0 0 "[ . 1 . 2]" 1
891 1 51 LYS HA 1 51 LYS HD2 . . 5.350 4.759 4.637 4.820 . 0 0 "[ . 1 . 2]" 1
892 1 51 LYS HA 1 51 LYS HE3 . . 5.000 4.503 4.331 5.136 0.136 15 0 "[ . 1 . 2]" 1
893 1 51 LYS HA 1 52 PHE H . . 4.350 3.498 3.469 3.525 . 0 0 "[ . 1 . 2]" 1
894 1 51 LYS HA 1 54 GLU H . . 4.050 3.391 3.221 3.620 . 0 0 "[ . 1 . 2]" 1
895 1 51 LYS HA 1 55 ALA MB . . 5.710 4.486 4.312 4.670 . 0 0 "[ . 1 . 2]" 1
896 1 51 LYS HB3 1 51 LYS HD2 . . 3.880 3.516 2.327 3.763 . 0 0 "[ . 1 . 2]" 1
897 1 51 LYS O 1 55 ALA H . . 2.200 1.936 1.835 2.072 . 0 0 "[ . 1 . 2]" 1
898 1 51 LYS O 1 55 ALA N . . 3.300 2.825 2.739 2.917 . 0 0 "[ . 1 . 2]" 1
899 1 52 PHE H 1 52 PHE HB2 . . 4.100 2.550 2.463 2.678 . 0 0 "[ . 1 . 2]" 1
900 1 52 PHE H 1 52 PHE QD . . 4.240 4.187 4.144 4.214 . 0 0 "[ . 1 . 2]" 1
901 1 52 PHE H 1 53 LYS H . . 3.820 2.761 2.698 2.816 . 0 0 "[ . 1 . 2]" 1
902 1 52 PHE H 1 54 GLU H . . 4.850 4.195 4.101 4.385 . 0 0 "[ . 1 . 2]" 1
903 1 52 PHE H 1 55 ALA H . . 5.550 4.644 4.494 4.709 . 0 0 "[ . 1 . 2]" 1
904 1 52 PHE H 1 55 ALA MB . . 5.530 4.557 4.364 4.652 . 0 0 "[ . 1 . 2]" 1
905 1 52 PHE HA 1 52 PHE QE . . 4.910 4.701 4.619 4.755 . 0 0 "[ . 1 . 2]" 1
906 1 52 PHE HA 1 53 LYS HG2 . . 5.530 5.538 5.442 5.923 0.393 11 0 "[ . 1 . 2]" 1
907 1 52 PHE HA 1 55 ALA MB . . 5.050 2.614 2.357 2.786 . 0 0 "[ . 1 . 2]" 1
908 1 52 PHE HB2 1 53 LYS H . . 4.160 3.838 3.748 3.971 . 0 0 "[ . 1 . 2]" 1
909 1 52 PHE HB3 1 53 LYS H . . 3.840 2.482 2.385 2.681 . 0 0 "[ . 1 . 2]" 1
910 1 52 PHE HB3 1 54 GLU H . . 5.540 5.009 4.883 5.184 . 0 0 "[ . 1 . 2]" 1
911 1 52 PHE QD 1 53 LYS H . . 5.700 3.208 3.061 3.561 . 0 0 "[ . 1 . 2]" 1
912 1 52 PHE QD 1 53 LYS HA . . 5.540 3.135 2.687 3.603 . 0 0 "[ . 1 . 2]" 1
913 1 52 PHE QD 1 56 SER H . . 5.340 4.811 4.502 5.000 . 0 0 "[ . 1 . 2]" 1
914 1 52 PHE QD 1 56 SER HB3 . . 4.910 4.501 4.225 4.948 0.038 9 0 "[ . 1 . 2]" 1
915 1 52 PHE QE 1 56 SER HB3 . . 4.000 4.089 3.854 4.257 0.257 8 0 "[ . 1 . 2]" 1
916 1 52 PHE O 1 56 SER H . . 2.200 1.963 1.875 2.105 . 0 0 "[ . 1 . 2]" 1
917 1 52 PHE O 1 56 SER N . . 3.300 2.850 2.786 2.961 . 0 0 "[ . 1 . 2]" 1
918 1 53 LYS H 1 53 LYS QB . . 2.990 2.422 2.353 2.606 . 0 0 "[ . 1 . 2]" 1
919 1 53 LYS H 1 53 LYS QE . . 5.080 4.460 3.680 5.032 . 0 0 "[ . 1 . 2]" 1
920 1 53 LYS H 1 53 LYS HG2 . . 4.560 2.330 2.057 3.244 . 0 0 "[ . 1 . 2]" 1
921 1 53 LYS H 1 53 LYS HG3 . . 4.220 3.555 2.271 3.781 . 0 0 "[ . 1 . 2]" 1
922 1 53 LYS H 1 54 GLU HG2 . . 6.100 5.796 4.096 6.338 0.238 16 0 "[ . 1 . 2]" 1
923 1 53 LYS HA 1 53 LYS HG2 . . 4.360 3.030 2.326 3.761 . 0 0 "[ . 1 . 2]" 1
924 1 53 LYS QB 1 53 LYS QE . . 4.520 3.165 1.962 3.858 . 0 0 "[ . 1 . 2]" 1
925 1 53 LYS QB 1 54 GLU H . . 3.250 2.653 2.420 3.487 0.237 10 0 "[ . 1 . 2]" 1
926 1 53 LYS QD 1 54 GLU H . . 5.650 4.820 4.187 5.315 . 0 0 "[ . 1 . 2]" 1
927 1 53 LYS O 1 57 ALA H . . 2.200 2.077 1.818 2.302 0.102 20 0 "[ . 1 . 2]" 1
928 1 53 LYS O 1 57 ALA N . . 3.300 3.003 2.764 3.198 . 0 0 "[ . 1 . 2]" 1
929 1 54 GLU H 1 54 GLU QB . . 3.020 2.391 2.197 2.624 . 0 0 "[ . 1 . 2]" 1
930 1 54 GLU H 1 54 GLU HG2 . . 3.730 3.342 2.003 3.858 0.128 16 0 "[ . 1 . 2]" 1
931 1 54 GLU H 1 55 ALA H . . 3.370 2.578 2.503 2.649 . 0 0 "[ . 1 . 2]" 1
932 1 54 GLU HA 1 57 ALA MB . . 4.350 2.789 2.592 2.934 . 0 0 "[ . 1 . 2]" 1
933 1 54 GLU HA 1 58 ALA H . . 4.350 4.001 3.896 4.239 . 0 0 "[ . 1 . 2]" 1
934 1 54 GLU QB 1 55 ALA H . . 3.800 2.754 2.501 3.538 . 0 0 "[ . 1 . 2]" 1
935 1 54 GLU QB 1 55 ALA HA . . 5.580 3.968 3.785 4.471 . 0 0 "[ . 1 . 2]" 1
936 1 54 GLU QB 1 56 SER H . . 5.660 4.711 4.538 5.142 . 0 0 "[ . 1 . 2]" 1
937 1 54 GLU HG2 1 55 ALA H . . 5.600 4.643 2.384 5.126 . 0 0 "[ . 1 . 2]" 1
938 1 54 GLU HG3 1 57 ALA H . . 5.830 5.978 5.804 6.132 0.302 5 0 "[ . 1 . 2]" 1
939 1 54 GLU O 1 58 ALA H . . 2.200 1.986 1.851 2.213 0.013 20 0 "[ . 1 . 2]" 1
940 1 54 GLU O 1 58 ALA N . . 3.300 2.909 2.794 3.123 . 0 0 "[ . 1 . 2]" 1
941 1 55 ALA H 1 55 ALA MB . . 3.150 2.238 2.228 2.247 . 0 0 "[ . 1 . 2]" 1
942 1 55 ALA H 1 58 ALA H . . 5.500 4.705 4.586 4.839 . 0 0 "[ . 1 . 2]" 1
943 1 55 ALA H 1 58 ALA MB . . 5.950 4.587 4.437 4.785 . 0 0 "[ . 1 . 2]" 1
944 1 55 ALA HA 1 58 ALA H . . 4.560 3.566 3.393 3.665 . 0 0 "[ . 1 . 2]" 1
945 1 55 ALA HA 1 58 ALA MB . . 3.980 2.577 2.339 2.714 . 0 0 "[ . 1 . 2]" 1
946 1 55 ALA HA 1 59 TYR H . . 4.740 3.989 3.820 4.286 . 0 0 "[ . 1 . 2]" 1
947 1 55 ALA MB 1 56 SER H . . 3.550 2.547 2.503 2.595 . 0 0 "[ . 1 . 2]" 1
948 1 55 ALA MB 1 57 ALA H . . 5.620 4.579 4.534 4.612 . 0 0 "[ . 1 . 2]" 1
949 1 55 ALA MB 1 58 ALA H . . 5.550 4.673 4.546 4.776 . 0 0 "[ . 1 . 2]" 1
950 1 55 ALA MB 1 59 TYR HB2 . . 5.550 4.396 4.167 4.726 . 0 0 "[ . 1 . 2]" 1
951 1 55 ALA O 1 59 TYR H . . 2.200 1.915 1.801 2.089 . 0 0 "[ . 1 . 2]" 1
952 1 55 ALA O 1 59 TYR N . . 3.300 2.836 2.738 3.015 . 0 0 "[ . 1 . 2]" 1
953 1 56 SER H 1 56 SER HB2 . . 3.420 3.251 2.440 3.602 0.182 13 0 "[ . 1 . 2]" 1
954 1 56 SER H 1 57 ALA H . . 3.480 2.659 2.599 2.707 . 0 0 "[ . 1 . 2]" 1
955 1 56 SER H 1 57 ALA MB . . 5.200 4.372 4.302 4.428 . 0 0 "[ . 1 . 2]" 1
956 1 56 SER H 1 58 ALA H . . 4.670 4.061 3.970 4.203 . 0 0 "[ . 1 . 2]" 1
957 1 56 SER HA 1 59 TYR H . . 4.090 3.342 3.197 3.549 . 0 0 "[ . 1 . 2]" 1
958 1 56 SER HA 1 59 TYR HB2 . . 4.290 3.247 2.947 3.478 . 0 0 "[ . 1 . 2]" 1
959 1 56 SER HA 1 59 TYR HB3 . . 4.530 2.461 2.264 2.703 . 0 0 "[ . 1 . 2]" 1
960 1 56 SER HA 1 59 TYR QD . . 4.910 3.932 3.623 4.179 . 0 0 "[ . 1 . 2]" 1
961 1 56 SER O 1 60 GLU H . . 2.200 1.985 1.855 2.085 . 0 0 "[ . 1 . 2]" 1
962 1 56 SER O 1 60 GLU N . . 3.300 2.821 2.730 2.883 . 0 0 "[ . 1 . 2]" 1
963 1 57 ALA H 1 57 ALA MB . . 2.980 2.255 2.243 2.277 . 0 0 "[ . 1 . 2]" 1
964 1 57 ALA H 1 58 ALA H . . 3.480 2.558 2.526 2.609 . 0 0 "[ . 1 . 2]" 1
965 1 57 ALA H 1 58 ALA MB . . 5.000 4.194 4.145 4.247 . 0 0 "[ . 1 . 2]" 1
966 1 57 ALA H 1 60 GLU HG2 . . 5.200 4.321 4.092 4.581 . 0 0 "[ . 1 . 2]" 1
967 1 57 ALA HA 1 58 ALA H . . 3.780 3.484 3.458 3.519 . 0 0 "[ . 1 . 2]" 1
968 1 57 ALA HA 1 60 GLU HA . . 4.800 4.985 4.900 5.227 0.427 3 0 "[ . 1 . 2]" 1
969 1 57 ALA HA 1 60 GLU QB . . 5.120 2.697 2.450 3.326 . 0 0 "[ . 1 . 2]" 1
970 1 57 ALA HA 1 60 GLU HG2 . . 4.500 2.330 1.880 2.618 . 0 0 "[ . 1 . 2]" 1
971 1 57 ALA HA 1 60 GLU HG3 . . 4.830 2.900 2.652 3.567 . 0 0 "[ . 1 . 2]" 1
972 1 57 ALA HA 1 61 ILE H . . 5.620 4.473 4.301 4.579 . 0 0 "[ . 1 . 2]" 1
973 1 57 ALA MB 1 58 ALA H . . 4.890 2.515 2.490 2.535 . 0 0 "[ . 1 . 2]" 1
974 1 57 ALA MB 1 60 GLU QB . . 5.600 3.861 3.590 4.631 . 0 0 "[ . 1 . 2]" 1
975 1 57 ALA O 1 61 ILE H . . 2.200 2.357 2.305 2.395 0.195 12 0 "[ . 1 . 2]" 1
976 1 57 ALA O 1 61 ILE N . . 3.300 3.241 3.174 3.282 . 0 0 "[ . 1 . 2]" 1
977 1 58 ALA H 1 59 TYR H . . 3.680 2.625 2.601 2.660 . 0 0 "[ . 1 . 2]" 1
978 1 58 ALA H 1 59 TYR HB2 . . 5.870 4.997 4.877 5.106 . 0 0 "[ . 1 . 2]" 1
979 1 58 ALA H 1 59 TYR HB3 . . 5.650 4.665 4.557 4.817 . 0 0 "[ . 1 . 2]" 1
980 1 58 ALA H 1 60 GLU H . . 4.750 3.925 3.865 4.086 . 0 0 "[ . 1 . 2]" 1
981 1 58 ALA H 1 60 GLU HG2 . . 4.710 4.785 4.360 4.969 0.259 17 0 "[ . 1 . 2]" 1
982 1 58 ALA H 1 61 ILE H . . 5.280 5.016 4.962 5.063 . 0 0 "[ . 1 . 2]" 1
983 1 58 ALA H 1 62 LEU H . . 5.600 5.828 5.776 5.853 0.253 20 0 "[ . 1 . 2]" 1
984 1 58 ALA H 1 62 LEU MD1 . . 5.800 4.985 4.890 5.070 . 0 0 "[ . 1 . 2]" 1
985 1 58 ALA HA 1 59 TYR H . . 5.680 3.515 3.499 3.525 . 0 0 "[ . 1 . 2]" 1
986 1 58 ALA HA 1 61 ILE QG . . 4.030 2.614 2.518 2.695 . 0 0 "[ . 1 . 2]" 1
987 1 58 ALA MB 1 59 TYR H . . 3.540 2.344 2.322 2.373 . 0 0 "[ . 1 . 2]" 1
988 1 58 ALA MB 1 59 TYR HB2 . . 5.570 3.900 3.790 4.029 . 0 0 "[ . 1 . 2]" 1
989 1 58 ALA MB 1 59 TYR HB3 . . 5.500 4.432 4.345 4.528 . 0 0 "[ . 1 . 2]" 1
990 1 58 ALA MB 1 62 LEU MD1 . . 4.210 2.037 1.903 2.130 . 0 0 "[ . 1 . 2]" 1
991 1 58 ALA O 1 62 LEU H . . 2.200 1.834 1.805 1.874 . 0 0 "[ . 1 . 2]" 1
992 1 58 ALA O 1 62 LEU N . . 3.300 2.730 2.685 2.775 . 0 0 "[ . 1 . 2]" 1
993 1 59 TYR H 1 59 TYR HB2 . . 3.530 2.499 2.402 2.574 . 0 0 "[ . 1 . 2]" 1
994 1 59 TYR H 1 59 TYR HB3 . . 3.520 2.450 2.379 2.564 . 0 0 "[ . 1 . 2]" 1
995 1 59 TYR H 1 59 TYR QD . . 4.690 4.159 4.127 4.189 . 0 0 "[ . 1 . 2]" 1
996 1 59 TYR H 1 60 GLU H . . 3.680 2.677 2.610 2.777 . 0 0 "[ . 1 . 2]" 1
997 1 59 TYR H 1 60 GLU QB . . 5.500 4.721 4.576 4.967 . 0 0 "[ . 1 . 2]" 1
998 1 59 TYR H 1 62 LEU H . . 5.220 4.805 4.772 4.854 . 0 0 "[ . 1 . 2]" 1
999 1 59 TYR H 1 62 LEU MD1 . . 5.430 4.398 4.304 4.482 . 0 0 "[ . 1 . 2]" 1
1000 1 59 TYR HA 1 59 TYR QE . . 4.700 4.655 4.505 4.716 0.016 16 0 "[ . 1 . 2]" 1
1001 1 59 TYR HA 1 60 GLU H . . 4.260 3.514 3.483 3.566 . 0 0 "[ . 1 . 2]" 1
1002 1 59 TYR HA 1 61 ILE H . . 5.370 4.304 4.204 4.363 . 0 0 "[ . 1 . 2]" 1
1003 1 59 TYR HA 1 61 ILE QG . . 5.400 4.811 4.723 4.916 . 0 0 "[ . 1 . 2]" 1
1004 1 59 TYR HA 1 62 LEU HB2 . . 4.940 2.845 2.699 2.980 . 0 0 "[ . 1 . 2]" 1
1005 1 59 TYR HA 1 63 SER H . . 3.630 2.852 2.743 2.933 . 0 0 "[ . 1 . 2]" 1
1006 1 59 TYR HA 1 63 SER HB3 . . 4.070 4.066 3.873 4.160 0.090 6 0 "[ . 1 . 2]" 1
1007 1 59 TYR HB2 1 59 TYR QE . . 4.600 4.407 4.375 4.429 . 0 0 "[ . 1 . 2]" 1
1008 1 59 TYR HB2 1 60 GLU HA . . 5.470 5.516 5.427 5.556 0.086 9 0 "[ . 1 . 2]" 1
1009 1 59 TYR HB2 1 63 SER H . . 5.000 5.112 5.052 5.178 0.178 5 0 "[ . 1 . 2]" 1
1010 1 59 TYR HB3 1 60 GLU H . . 5.320 2.668 2.596 2.725 . 0 0 "[ . 1 . 2]" 1
1011 1 59 TYR HB3 1 63 SER H . . 5.250 5.199 5.090 5.293 0.043 1 0 "[ . 1 . 2]" 1
1012 1 59 TYR QD 1 60 GLU H . . 4.870 3.620 3.414 3.972 . 0 0 "[ . 1 . 2]" 1
1013 1 59 TYR QD 1 60 GLU HA . . 4.970 3.383 3.201 3.769 . 0 0 "[ . 1 . 2]" 1
1014 1 59 TYR QD 1 63 SER H . . 4.800 4.330 4.247 4.399 . 0 0 "[ . 1 . 2]" 1
1015 1 59 TYR QD 1 63 SER HB2 . . 3.630 2.837 2.665 3.005 . 0 0 "[ . 1 . 2]" 1
1016 1 59 TYR QE 1 63 SER HA . . 4.700 4.659 4.359 4.783 0.083 9 0 "[ . 1 . 2]" 1
1017 1 59 TYR QE 1 63 SER HB2 . . 5.430 3.153 3.043 3.282 . 0 0 "[ . 1 . 2]" 1
1018 1 59 TYR QE 1 63 SER HB3 . . 4.240 3.929 3.688 4.078 . 0 0 "[ . 1 . 2]" 1
1019 1 59 TYR O 1 63 SER H . . 2.200 1.894 1.804 1.993 . 0 0 "[ . 1 . 2]" 1
1020 1 59 TYR O 1 63 SER N . . 3.300 2.777 2.709 2.855 . 0 0 "[ . 1 . 2]" 1
1021 1 60 GLU H 1 60 GLU QB . . 3.100 2.435 2.382 2.510 . 0 0 "[ . 1 . 2]" 1
1022 1 60 GLU H 1 61 ILE H . . 3.470 2.770 2.715 2.818 . 0 0 "[ . 1 . 2]" 1
1023 1 60 GLU H 1 61 ILE HA . . 5.420 5.359 5.294 5.404 . 0 0 "[ . 1 . 2]" 1
1024 1 60 GLU H 1 61 ILE QG . . 4.850 4.020 3.926 4.121 . 0 0 "[ . 1 . 2]" 1
1025 1 60 GLU H 1 62 LEU H . . 4.990 4.335 4.289 4.419 . 0 0 "[ . 1 . 2]" 1
1026 1 60 GLU H 1 63 SER HB2 . . 5.170 5.286 5.248 5.343 0.173 9 0 "[ . 1 . 2]" 1
1027 1 60 GLU H 1 63 SER HB3 . . 5.160 5.199 5.135 5.234 0.074 14 0 "[ . 1 . 2]" 1
1028 1 60 GLU HA 1 60 GLU HG2 . . 4.050 3.189 2.954 3.808 . 0 0 "[ . 1 . 2]" 1
1029 1 60 GLU HA 1 61 ILE H . . 5.280 3.543 3.503 3.581 . 0 0 "[ . 1 . 2]" 1
1030 1 60 GLU HA 1 61 ILE HA . . 4.940 4.579 4.530 4.630 . 0 0 "[ . 1 . 2]" 1
1031 1 60 GLU HA 1 62 LEU H . . 5.550 5.128 5.040 5.203 . 0 0 "[ . 1 . 2]" 1
1032 1 60 GLU HA 1 63 SER H . . 4.490 4.433 4.252 4.551 0.061 18 0 "[ . 1 . 2]" 1
1033 1 60 GLU QB 1 61 ILE H . . 5.200 2.813 2.544 3.687 . 0 0 "[ . 1 . 2]" 1
1034 1 60 GLU HG3 1 61 ILE H . . 5.690 4.590 2.780 5.104 . 0 0 "[ . 1 . 2]" 1
1035 1 61 ILE H 1 61 ILE HB . . 3.850 3.683 3.643 3.707 . 0 0 "[ . 1 . 2]" 1
1036 1 61 ILE H 1 61 ILE MD . . 5.100 3.683 3.608 3.728 . 0 0 "[ . 1 . 2]" 1
1037 1 61 ILE H 1 61 ILE QG . . 3.980 1.953 1.861 2.009 . 0 0 "[ . 1 . 2]" 1
1038 1 61 ILE H 1 62 LEU H . . 3.710 2.342 2.270 2.369 . 0 0 "[ . 1 . 2]" 1
1039 1 61 ILE H 1 62 LEU HB2 . . 3.980 4.283 4.258 4.319 0.339 14 0 "[ . 1 . 2]" 1
1040 1 61 ILE H 1 62 LEU HG . . 3.850 4.059 3.985 4.150 0.300 10 0 "[ . 1 . 2]" 1
1041 1 61 ILE H 1 63 SER H . . 4.310 3.872 3.771 3.914 . 0 0 "[ . 1 . 2]" 1
1042 1 61 ILE H 1 71 TYR QD . . 7.000 6.766 6.550 6.991 . 0 0 "[ . 1 . 2]" 1
1043 1 61 ILE HA 1 64 ASP HB2 . . 5.380 3.330 3.037 3.659 . 0 0 "[ . 1 . 2]" 1
1044 1 61 ILE HA 1 67 LYS H . . 4.780 4.998 4.930 5.109 0.329 13 0 "[ . 1 . 2]" 1
1045 1 61 ILE HA 1 67 LYS HB2 . . 4.400 2.831 2.707 2.902 . 0 0 "[ . 1 . 2]" 1
1046 1 61 ILE HA 1 67 LYS QD . . 4.900 4.017 3.648 4.751 . 0 0 "[ . 1 . 2]" 1
1047 1 61 ILE HA 1 67 LYS QE . . 5.800 4.899 3.421 5.543 . 0 0 "[ . 1 . 2]" 1
1048 1 61 ILE HA 1 68 ARG H . . 5.000 4.963 4.526 5.163 0.163 4 0 "[ . 1 . 2]" 1
1049 1 61 ILE HB 1 62 LEU H . . 3.310 3.418 3.347 3.463 0.153 6 0 "[ . 1 . 2]" 1
1050 1 61 ILE MD 1 64 ASP HB2 . . 6.800 6.701 6.370 7.067 0.267 12 0 "[ . 1 . 2]" 1
1051 1 61 ILE QG 1 62 LEU H . . 4.720 1.783 1.751 1.820 . 0 0 "[ . 1 . 2]" 1
1052 1 61 ILE QG 1 63 SER H . . 4.830 4.342 4.297 4.385 . 0 0 "[ . 1 . 2]" 1
1053 1 61 ILE QG 1 68 ARG HA . . 5.100 4.287 4.167 4.388 . 0 0 "[ . 1 . 2]" 1
1054 1 61 ILE QG 1 71 TYR QD . . 5.230 4.334 4.197 4.520 . 0 0 "[ . 1 . 2]" 1
1055 1 61 ILE MG 1 62 LEU H . . 4.500 3.951 3.925 3.983 . 0 0 "[ . 1 . 2]" 1
1056 1 61 ILE MG 1 62 LEU HB2 . . 7.150 5.872 5.827 5.934 . 0 0 "[ . 1 . 2]" 1
1057 1 61 ILE MG 1 62 LEU HG . . 5.680 4.864 4.822 4.959 . 0 0 "[ . 1 . 2]" 1
1058 1 61 ILE MG 1 67 LYS QD . . 4.970 3.237 2.767 4.218 . 0 0 "[ . 1 . 2]" 1
1059 1 61 ILE MG 1 67 LYS HG3 . . 5.000 3.812 3.543 4.135 . 0 0 "[ . 1 . 2]" 1
1060 1 61 ILE MG 1 71 TYR H . . 6.300 5.003 4.718 5.498 . 0 0 "[ . 1 . 2]" 1
1061 1 61 ILE MG 1 71 TYR HA . . 6.300 5.114 4.865 5.649 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ILE MG 1 71 TYR QB . . 5.200 3.476 3.081 3.852 . 0 0 "[ . 1 . 2]" 1
1063 1 61 ILE MG 1 71 TYR QD . . 4.310 4.092 3.274 4.392 0.082 12 0 "[ . 1 . 2]" 1
1064 1 62 LEU H 1 62 LEU MD1 . . 4.270 3.585 3.552 3.646 . 0 0 "[ . 1 . 2]" 1
1065 1 62 LEU H 1 62 LEU MD2 . . 4.520 3.190 3.129 3.291 . 0 0 "[ . 1 . 2]" 1
1066 1 62 LEU H 1 62 LEU HG . . 3.310 2.196 2.171 2.231 . 0 0 "[ . 1 . 2]" 1
1067 1 62 LEU H 1 64 ASP H . . 5.250 4.068 3.950 4.129 . 0 0 "[ . 1 . 2]" 1
1068 1 62 LEU H 1 64 ASP HB2 . . 5.660 5.484 5.259 5.819 0.159 12 0 "[ . 1 . 2]" 1
1069 1 62 LEU H 1 68 ARG HB2 . . 5.280 5.260 5.003 5.404 0.124 8 0 "[ . 1 . 2]" 1
1070 1 62 LEU HA 1 63 SER H . . 5.220 3.567 3.548 3.590 . 0 0 "[ . 1 . 2]" 1
1071 1 62 LEU HA 1 68 ARG HB2 . . 3.830 2.831 2.646 2.955 . 0 0 "[ . 1 . 2]" 1
1072 1 62 LEU MD1 1 63 SER H . . 5.960 4.689 4.636 4.731 . 0 0 "[ . 1 . 2]" 1
1073 1 62 LEU MD1 1 64 ASP H . . 7.290 6.154 6.067 6.236 . 0 0 "[ . 1 . 2]" 1
1074 1 62 LEU MD2 1 68 ARG HB2 . . 5.340 3.744 3.605 3.886 . 0 0 "[ . 1 . 2]" 1
1075 1 62 LEU MD2 1 68 ARG HG3 . . 4.560 2.698 2.357 3.186 . 0 0 "[ . 1 . 2]" 1
1076 1 62 LEU MD2 1 71 TYR QB . . 6.000 3.083 2.615 3.555 . 0 0 "[ . 1 . 2]" 1
1077 1 62 LEU MD2 1 71 TYR QD . . 5.170 2.611 2.223 3.568 . 0 0 "[ . 1 . 2]" 1
1078 1 62 LEU MD2 1 71 TYR QE . . 6.500 3.332 2.878 4.509 . 0 0 "[ . 1 . 2]" 1
1079 1 62 LEU HG 1 68 ARG HG2 . . 4.450 4.436 4.065 4.634 0.184 10 0 "[ . 1 . 2]" 1
1080 1 63 SER H 1 63 SER HB2 . . 3.730 2.515 2.483 2.554 . 0 0 "[ . 1 . 2]" 1
1081 1 63 SER H 1 63 SER HB3 . . 3.800 2.600 2.534 2.681 . 0 0 "[ . 1 . 2]" 1
1082 1 63 SER H 1 64 ASP H . . 3.700 2.659 2.524 2.776 . 0 0 "[ . 1 . 2]" 1
1083 1 63 SER H 1 68 ARG HG3 . . 5.310 5.172 4.870 5.599 0.289 14 0 "[ . 1 . 2]" 1
1084 1 63 SER HA 1 64 ASP H . . 4.310 3.315 3.243 3.389 . 0 0 "[ . 1 . 2]" 1
1085 1 63 SER HB2 1 64 ASP H . . 5.920 4.270 4.150 4.328 . 0 0 "[ . 1 . 2]" 1
1086 1 63 SER HB3 1 64 ASP H . . 4.920 3.425 3.306 3.547 . 0 0 "[ . 1 . 2]" 1
1087 1 64 ASP H 1 64 ASP HB2 . . 3.960 2.573 2.395 2.860 . 0 0 "[ . 1 . 2]" 1
1088 1 64 ASP H 1 64 ASP HB3 . . 3.930 3.640 2.614 3.777 . 0 0 "[ . 1 . 2]" 1
1089 1 64 ASP H 1 67 LYS HB3 . . 5.260 4.832 4.644 5.062 . 0 0 "[ . 1 . 2]" 1
1090 1 64 ASP H 1 67 LYS HG2 . . 5.590 5.360 5.175 5.541 . 0 0 "[ . 1 . 2]" 1
1091 1 64 ASP H 1 67 LYS HG3 . . 5.290 5.025 4.705 5.256 . 0 0 "[ . 1 . 2]" 1
1092 1 64 ASP H 1 68 ARG H . . 5.480 4.240 4.102 4.406 . 0 0 "[ . 1 . 2]" 1
1093 1 64 ASP H 1 68 ARG HB2 . . 5.300 3.686 3.503 3.809 . 0 0 "[ . 1 . 2]" 1
1094 1 64 ASP H 1 68 ARG HB3 . . 5.550 5.406 5.147 5.565 0.015 7 0 "[ . 1 . 2]" 1
1095 1 64 ASP H 1 68 ARG HG2 . . 5.420 5.524 5.043 5.741 0.321 16 0 "[ . 1 . 2]" 1
1096 1 64 ASP H 1 68 ARG HG3 . . 5.560 4.620 4.356 5.081 . 0 0 "[ . 1 . 2]" 1
1097 1 64 ASP HA 1 65 PRO HD2 . . 5.210 2.339 2.249 2.453 . 0 0 "[ . 1 . 2]" 1
1098 1 64 ASP HA 1 65 PRO HD3 . . 5.280 1.932 1.831 2.034 . 0 0 "[ . 1 . 2]" 1
1099 1 64 ASP HA 1 66 GLU H . . 4.970 3.743 3.666 3.870 . 0 0 "[ . 1 . 2]" 1
1100 1 64 ASP HA 1 68 ARG HB2 . . 4.900 4.906 4.803 4.983 0.083 18 0 "[ . 1 . 2]" 1
1101 1 64 ASP HB2 1 66 GLU H . . 4.870 4.376 4.038 4.903 0.033 12 0 "[ . 1 . 2]" 1
1102 1 64 ASP HB2 1 67 LYS H . . 4.000 3.285 2.962 4.216 0.216 12 0 "[ . 1 . 2]" 1
1103 1 64 ASP HB2 1 67 LYS HG3 . . 3.420 2.746 2.401 3.433 0.013 12 0 "[ . 1 . 2]" 1
1104 1 64 ASP HB2 1 68 ARG H . . 5.290 4.194 3.943 5.043 . 0 0 "[ . 1 . 2]" 1
1105 1 64 ASP HB3 1 65 PRO HD2 . . 5.420 3.720 3.405 4.693 . 0 0 "[ . 1 . 2]" 1
1106 1 64 ASP HB3 1 65 PRO HD3 . . 5.420 4.237 3.997 4.610 . 0 0 "[ . 1 . 2]" 1
1107 1 64 ASP HB3 1 67 LYS H . . 4.670 2.745 2.335 3.065 . 0 0 "[ . 1 . 2]" 1
1108 1 64 ASP HB3 1 67 LYS HB3 . . 4.850 4.384 3.297 4.753 . 0 0 "[ . 1 . 2]" 1
1109 1 64 ASP O 1 68 ARG H . . 2.200 1.830 1.746 1.900 . 0 0 "[ . 1 . 2]" 1
1110 1 64 ASP O 1 68 ARG N . . 3.300 2.673 2.638 2.698 . 0 0 "[ . 1 . 2]" 1
1111 1 65 PRO HA 1 67 LYS H . . 4.410 4.324 4.190 4.492 0.082 12 0 "[ . 1 . 2]" 1
1112 1 65 PRO HA 1 68 ARG H . . 4.630 3.377 3.127 3.619 . 0 0 "[ . 1 . 2]" 1
1113 1 65 PRO HA 1 68 ARG HB3 . . 4.050 2.478 2.194 2.885 . 0 0 "[ . 1 . 2]" 1
1114 1 65 PRO HA 1 68 ARG HD3 . . 5.180 3.857 3.038 5.266 0.086 19 0 "[ . 1 . 2]" 1
1115 1 65 PRO HA 1 69 ASP H . . 5.180 3.919 3.681 4.212 . 0 0 "[ . 1 . 2]" 1
1116 1 65 PRO HB2 1 66 GLU H . . 3.630 2.775 2.704 2.894 . 0 0 "[ . 1 . 2]" 1
1117 1 65 PRO HD2 1 66 GLU QB . . 5.500 4.633 4.412 4.765 . 0 0 "[ . 1 . 2]" 1
1118 1 65 PRO HD3 1 66 GLU H . . 4.170 3.993 3.899 4.105 . 0 0 "[ . 1 . 2]" 1
1119 1 65 PRO HD3 1 67 LYS HB2 . . 5.500 5.842 5.774 5.940 0.440 3 0 "[ . 1 . 2]" 1
1120 1 65 PRO HG2 1 66 GLU HG2 . . 5.020 4.930 4.561 5.282 0.262 5 0 "[ . 1 . 2]" 1
1121 1 65 PRO HG2 1 67 LYS H . . 6.000 6.248 6.172 6.320 0.320 16 0 "[ . 1 . 2]" 1
1122 1 65 PRO O 1 69 ASP H . . 2.200 2.015 1.824 2.253 0.053 15 0 "[ . 1 . 2]" 1
1123 1 65 PRO O 1 69 ASP N . . 3.300 2.909 2.746 3.135 . 0 0 "[ . 1 . 2]" 1
1124 1 66 GLU H 1 66 GLU QB . . 3.080 2.500 2.375 2.765 . 0 0 "[ . 1 . 2]" 1
1125 1 66 GLU H 1 66 GLU HG2 . . 3.630 2.449 1.832 3.305 . 0 0 "[ . 1 . 2]" 1
1126 1 66 GLU H 1 67 LYS HB2 . . 4.000 4.214 4.121 4.289 0.289 10 0 "[ . 1 . 2]" 1
1127 1 66 GLU H 1 67 LYS HG2 . . 5.920 4.144 3.861 4.360 . 0 0 "[ . 1 . 2]" 1
1128 1 66 GLU H 1 68 ARG H . . 4.060 3.478 3.359 3.586 . 0 0 "[ . 1 . 2]" 1
1129 1 66 GLU HA 1 67 LYS H . . 5.820 3.479 3.438 3.515 . 0 0 "[ . 1 . 2]" 1
1130 1 66 GLU HA 1 68 ARG HB2 . . 5.400 5.507 5.402 5.638 0.238 14 0 "[ . 1 . 2]" 1
1131 1 66 GLU HA 1 69 ASP H . . 3.370 3.384 3.048 3.552 0.182 8 0 "[ . 1 . 2]" 1
1132 1 66 GLU HA 1 69 ASP HB2 . . 5.340 3.051 2.489 3.980 . 0 0 "[ . 1 . 2]" 1
1133 1 66 GLU HA 1 70 ILE HB . . 5.350 5.456 5.370 5.561 0.211 3 0 "[ . 1 . 2]" 1
1134 1 66 GLU QB 1 67 LYS H . . 3.420 2.936 2.554 3.522 0.102 3 0 "[ . 1 . 2]" 1
1135 1 66 GLU QB 1 67 LYS HA . . 4.450 4.046 3.855 4.345 . 0 0 "[ . 1 . 2]" 1
1136 1 66 GLU O 1 70 ILE H . . 2.200 2.162 1.933 2.328 0.128 6 0 "[ . 1 . 2]" 1
1137 1 66 GLU O 1 70 ILE N . . 3.300 3.061 2.869 3.230 . 0 0 "[ . 1 . 2]" 1
1138 1 67 LYS H 1 67 LYS HB2 . . 3.630 2.175 2.121 2.244 . 0 0 "[ . 1 . 2]" 1
1139 1 67 LYS H 1 67 LYS HG2 . . 3.650 2.481 2.394 2.615 . 0 0 "[ . 1 . 2]" 1
1140 1 67 LYS H 1 67 LYS HG3 . . 3.880 3.695 3.619 3.746 . 0 0 "[ . 1 . 2]" 1
1141 1 67 LYS H 1 68 ARG H . . 3.820 2.159 2.071 2.268 . 0 0 "[ . 1 . 2]" 1
1142 1 67 LYS H 1 68 ARG HA . . 5.740 4.803 4.724 4.905 . 0 0 "[ . 1 . 2]" 1
1143 1 67 LYS H 1 68 ARG HB2 . . 3.870 3.953 3.883 4.048 0.178 12 0 "[ . 1 . 2]" 1
1144 1 67 LYS H 1 71 TYR H . . 5.260 5.603 5.520 5.690 0.430 16 0 "[ . 1 . 2]" 1
1145 1 67 LYS HA 1 67 LYS HG2 . . 4.420 2.982 2.870 3.122 . 0 0 "[ . 1 . 2]" 1
1146 1 67 LYS HA 1 70 ILE H . . 4.000 3.276 2.984 3.497 . 0 0 "[ . 1 . 2]" 1
1147 1 67 LYS HA 1 71 TYR H . . 4.660 3.778 3.623 3.968 . 0 0 "[ . 1 . 2]" 1
1148 1 67 LYS HB2 1 68 ARG H . . 4.590 2.736 2.517 2.863 . 0 0 "[ . 1 . 2]" 1
1149 1 67 LYS HB3 1 71 TYR QB . . 5.450 4.384 4.158 4.595 . 0 0 "[ . 1 . 2]" 1
1150 1 67 LYS QD 1 70 ILE H . . 5.900 4.873 4.474 5.162 . 0 0 "[ . 1 . 2]" 1
1151 1 67 LYS O 1 71 TYR H . . 2.200 1.786 1.739 1.874 . 0 0 "[ . 1 . 2]" 1
1152 1 67 LYS O 1 71 TYR N . . 3.300 2.734 2.687 2.784 . 0 0 "[ . 1 . 2]" 1
1153 1 68 ARG H 1 68 ARG HB2 . . 4.210 2.135 2.066 2.210 . 0 0 "[ . 1 . 2]" 1
1154 1 68 ARG H 1 68 ARG HB3 . . 4.110 2.714 2.611 2.826 . 0 0 "[ . 1 . 2]" 1
1155 1 68 ARG H 1 69 ASP H . . 4.090 2.524 2.371 2.698 . 0 0 "[ . 1 . 2]" 1
1156 1 68 ARG H 1 70 ILE H . . 5.350 3.814 3.718 4.013 . 0 0 "[ . 1 . 2]" 1
1157 1 68 ARG H 1 70 ILE HB . . 4.500 4.569 4.498 4.675 0.175 12 0 "[ . 1 . 2]" 1
1158 1 68 ARG HA 1 69 ASP H . . 4.540 3.552 3.497 3.572 . 0 0 "[ . 1 . 2]" 1
1159 1 68 ARG HA 1 71 TYR H . . 4.210 3.471 3.279 3.656 . 0 0 "[ . 1 . 2]" 1
1160 1 68 ARG HA 1 72 ASP H . . 4.940 3.949 3.831 4.176 . 0 0 "[ . 1 . 2]" 1
1161 1 68 ARG HB2 1 69 ASP H . . 4.110 3.481 3.382 3.609 . 0 0 "[ . 1 . 2]" 1
1162 1 68 ARG HB3 1 69 ASP H . . 3.880 2.480 2.371 2.576 . 0 0 "[ . 1 . 2]" 1
1163 1 68 ARG O 1 72 ASP H . . 2.200 1.871 1.787 2.114 . 0 0 "[ . 1 . 2]" 1
1164 1 68 ARG O 1 72 ASP N . . 3.300 2.781 2.710 3.020 . 0 0 "[ . 1 . 2]" 1
1165 1 69 ASP H 1 69 ASP HB2 . . 3.460 2.399 2.240 2.595 . 0 0 "[ . 1 . 2]" 1
1166 1 69 ASP H 1 69 ASP HB3 . . 3.580 3.429 2.469 3.618 0.038 13 0 "[ . 1 . 2]" 1
1167 1 69 ASP H 1 70 ILE H . . 3.910 2.485 2.424 2.551 . 0 0 "[ . 1 . 2]" 1
1168 1 69 ASP H 1 70 ILE HA . . 5.940 5.131 5.088 5.201 . 0 0 "[ . 1 . 2]" 1
1169 1 69 ASP H 1 70 ILE HB . . 4.110 4.394 4.355 4.441 0.331 2 0 "[ . 1 . 2]" 1
1170 1 69 ASP H 1 70 ILE HG12 . . 4.660 4.371 4.284 4.451 . 0 0 "[ . 1 . 2]" 1
1171 1 69 ASP H 1 71 TYR H . . 5.150 4.068 3.985 4.166 . 0 0 "[ . 1 . 2]" 1
1172 1 69 ASP H 1 71 TYR QB . . 5.500 4.870 4.641 5.199 . 0 0 "[ . 1 . 2]" 1
1173 1 69 ASP H 1 72 ASP H . . 5.610 4.506 4.438 4.613 . 0 0 "[ . 1 . 2]" 1
1174 1 69 ASP HA 1 70 ILE H . . 4.490 3.475 3.461 3.497 . 0 0 "[ . 1 . 2]" 1
1175 1 69 ASP HA 1 72 ASP H . . 4.120 3.274 3.101 3.562 . 0 0 "[ . 1 . 2]" 1
1176 1 69 ASP HA 1 73 GLN H . . 4.750 3.993 3.642 4.222 . 0 0 "[ . 1 . 2]" 1
1177 1 69 ASP HB2 1 70 ILE H . . 4.040 2.889 2.552 3.847 . 0 0 "[ . 1 . 2]" 1
1178 1 69 ASP O 1 73 GLN H . . 2.200 2.027 1.773 2.220 0.020 6 0 "[ . 1 . 2]" 1
1179 1 69 ASP O 1 73 GLN N . . 3.300 2.924 2.719 3.130 . 0 0 "[ . 1 . 2]" 1
1180 1 70 ILE H 1 70 ILE HB . . 3.440 2.283 2.256 2.299 . 0 0 "[ . 1 . 2]" 1
1181 1 70 ILE H 1 70 ILE MD . . 4.000 3.451 3.376 3.523 . 0 0 "[ . 1 . 2]" 1
1182 1 70 ILE H 1 70 ILE HG12 . . 3.680 2.364 2.280 2.409 . 0 0 "[ . 1 . 2]" 1
1183 1 70 ILE H 1 70 ILE MG . . 3.970 3.708 3.692 3.718 . 0 0 "[ . 1 . 2]" 1
1184 1 70 ILE H 1 71 TYR H . . 3.630 2.709 2.652 2.745 . 0 0 "[ . 1 . 2]" 1
1185 1 70 ILE H 1 71 TYR QD . . 6.500 6.336 6.221 6.476 . 0 0 "[ . 1 . 2]" 1
1186 1 70 ILE H 1 72 ASP H . . 4.930 4.014 3.874 4.145 . 0 0 "[ . 1 . 2]" 1
1187 1 70 ILE HA 1 71 TYR H . . 4.260 3.554 3.512 3.577 . 0 0 "[ . 1 . 2]" 1
1188 1 70 ILE HB 1 71 TYR H . . 3.730 2.459 2.346 2.511 . 0 0 "[ . 1 . 2]" 1
1189 1 70 ILE HB 1 72 ASP H . . 4.960 4.892 4.768 4.989 0.029 5 0 "[ . 1 . 2]" 1
1190 1 70 ILE HG13 1 71 TYR H . . 5.590 4.879 4.776 4.933 . 0 0 "[ . 1 . 2]" 1
1191 1 70 ILE MG 1 71 TYR H . . 4.040 2.996 2.942 3.050 . 0 0 "[ . 1 . 2]" 1
1192 1 70 ILE MG 1 74 PHE H . . 5.000 4.240 3.961 4.429 . 0 0 "[ . 1 . 2]" 1
1193 1 70 ILE O 1 74 PHE H . . 2.200 2.141 1.837 2.380 0.180 3 0 "[ . 1 . 2]" 1
1194 1 70 ILE O 1 74 PHE N . . 3.300 3.077 2.777 3.320 0.020 3 0 "[ . 1 . 2]" 1
1195 1 71 TYR H 1 71 TYR QB . . 3.400 2.287 2.219 2.338 . 0 0 "[ . 1 . 2]" 1
1196 1 71 TYR H 1 71 TYR QD . . 5.000 4.222 4.179 4.245 . 0 0 "[ . 1 . 2]" 1
1197 1 71 TYR H 1 72 ASP H . . 3.800 2.698 2.603 2.784 . 0 0 "[ . 1 . 2]" 1
1198 1 71 TYR H 1 73 GLN H . . 4.870 4.282 4.091 4.499 . 0 0 "[ . 1 . 2]" 1
1199 1 71 TYR HA 1 74 PHE H . . 4.530 3.591 3.238 4.067 . 0 0 "[ . 1 . 2]" 1
1200 1 71 TYR HA 1 75 GLY H . . 4.120 4.016 3.536 4.259 0.139 5 0 "[ . 1 . 2]" 1
1201 1 71 TYR QD 1 72 ASP H . . 4.240 3.515 3.283 3.928 . 0 0 "[ . 1 . 2]" 1
1202 1 71 TYR QD 1 72 ASP HA . . 4.780 3.549 3.133 4.165 . 0 0 "[ . 1 . 2]" 1
1203 1 71 TYR QD 1 74 PHE H . . 5.920 5.404 4.974 6.021 0.101 12 0 "[ . 1 . 2]" 1
1204 1 72 ASP H 1 72 ASP HB2 . . 3.690 2.482 2.272 2.610 . 0 0 "[ . 1 . 2]" 1
1205 1 72 ASP H 1 72 ASP HB3 . . 3.870 2.555 2.367 3.585 . 0 0 "[ . 1 . 2]" 1
1206 1 72 ASP H 1 73 GLN H . . 3.980 2.782 2.714 2.890 . 0 0 "[ . 1 . 2]" 1
1207 1 72 ASP H 1 74 PHE H . . 5.080 4.258 4.086 4.393 . 0 0 "[ . 1 . 2]" 1
1208 1 72 ASP HA 1 73 GLN H . . 4.550 3.540 3.501 3.602 . 0 0 "[ . 1 . 2]" 1
1209 1 72 ASP HB2 1 73 GLN H . . 4.090 3.813 2.692 3.974 . 0 0 "[ . 1 . 2]" 1
1210 1 72 ASP HB3 1 73 GLN H . . 4.270 2.614 2.423 3.513 . 0 0 "[ . 1 . 2]" 1
1211 1 72 ASP HB3 1 74 PHE H . . 5.150 5.013 4.777 5.382 0.232 5 0 "[ . 1 . 2]" 1
1212 1 73 GLN H 1 73 GLN HB2 . . 2.920 2.469 2.373 3.515 0.595 1 1 "[+ . 1 . 2]" 1
1213 1 73 GLN H 1 73 GLN HB3 . . 3.710 3.534 2.704 3.641 . 0 0 "[ . 1 . 2]" 1
1214 1 73 GLN H 1 73 GLN HE21 . . 3.510 3.505 3.112 3.702 0.192 17 0 "[ . 1 . 2]" 1
1215 1 73 GLN H 1 73 GLN HG2 . . 4.030 3.293 1.866 3.730 . 0 0 "[ . 1 . 2]" 1
1216 1 73 GLN H 1 73 GLN HG3 . . 2.920 2.564 2.342 3.356 0.436 3 0 "[ . 1 . 2]" 1
1217 1 73 GLN H 1 74 PHE H . . 3.540 2.574 2.381 2.666 . 0 0 "[ . 1 . 2]" 1
1218 1 73 GLN H 1 75 GLY H . . 3.560 3.766 3.692 3.885 0.325 6 0 "[ . 1 . 2]" 1
1219 1 73 GLN HA 1 74 PHE H . . 3.830 3.531 3.484 3.566 . 0 0 "[ . 1 . 2]" 1
1220 1 73 GLN HA 1 75 GLY H . . 4.900 4.122 3.761 4.334 . 0 0 "[ . 1 . 2]" 1
1221 1 73 GLN HB2 1 74 PHE H . . 3.740 2.666 2.266 3.597 . 0 0 "[ . 1 . 2]" 1
1222 1 73 GLN HB3 1 74 PHE H . . 3.930 3.609 3.453 3.960 0.030 1 0 "[ . 1 . 2]" 1
1223 1 73 GLN HG3 1 74 PHE H . . 4.340 4.298 2.140 4.558 0.218 10 0 "[ . 1 . 2]" 1
1224 1 74 PHE H 1 74 PHE HB2 . . 3.740 2.430 2.349 2.549 . 0 0 "[ . 1 . 2]" 1
1225 1 74 PHE H 1 74 PHE HB3 . . 3.660 3.580 2.542 3.711 0.051 6 0 "[ . 1 . 2]" 1
1226 1 74 PHE H 1 74 PHE QD . . 4.760 2.666 2.397 4.191 . 0 0 "[ . 1 . 2]" 1
1227 1 74 PHE H 1 75 GLY H . . 3.290 2.419 2.260 2.538 . 0 0 "[ . 1 . 2]" 1
1228 1 74 PHE H 1 75 GLY HA2 . . 5.650 4.853 4.641 5.177 . 0 0 "[ . 1 . 2]" 1
1229 1 74 PHE HA 1 75 GLY H . . 4.230 3.367 3.206 3.481 . 0 0 "[ . 1 . 2]" 1
1230 1 74 PHE HB3 1 75 GLY H . . 4.340 3.943 2.803 4.354 0.014 6 0 "[ . 1 . 2]" 1
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