NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524194 |
2lgx   |
17827 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgx
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 1369
_Distance_constraint_stats_list.Viol_count 8709
_Distance_constraint_stats_list.Viol_total 19546.146
_Distance_constraint_stats_list.Viol_max 0.889
_Distance_constraint_stats_list.Viol_rms 0.0713
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0357
_Distance_constraint_stats_list.Viol_average_violations_only 0.1122
_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 MET 2.270 0.130 14 0 "[ . 1 . 2]"
1 9 ALA 9.731 0.651 14 2 "[ . 1 +.- 2]"
1 10 LEU 19.347 0.603 14 3 "[ - . * +. 2]"
1 11 ASP 20.760 0.651 14 2 "[ . 1 +.* 2]"
1 12 GLY 7.124 0.321 2 0 "[ . 1 . 2]"
1 13 ILE 17.847 0.480 5 0 "[ . 1 . 2]"
1 14 ARG 18.438 0.598 17 2 "[ . 1 . + -]"
1 15 MET 27.002 0.850 14 4 "[ *. * 1 +. - 2]"
1 16 PRO 6.966 0.329 4 0 "[ . 1 . 2]"
1 17 ASP 21.122 0.480 5 0 "[ . 1 . 2]"
1 18 GLY 4.775 0.213 14 0 "[ . 1 . 2]"
1 19 CYS 13.753 0.850 14 4 "[ *. * 1 +. - 2]"
1 20 TYR 3.707 0.290 19 0 "[ . 1 . 2]"
1 21 ALA 3.600 0.366 19 0 "[ . 1 . 2]"
1 22 ASP 10.353 0.474 17 0 "[ . 1 . 2]"
1 23 GLY 5.491 0.366 19 0 "[ . 1 . 2]"
1 24 THR 10.094 0.474 17 0 "[ . 1 . 2]"
1 25 TRP 25.999 0.463 7 0 "[ . 1 . 2]"
1 26 GLU 24.085 0.268 10 0 "[ . 1 . 2]"
1 27 LEU 42.561 0.564 19 2 "[ .- 1 . +2]"
1 28 SER 30.543 0.564 19 2 "[ .- 1 . +2]"
1 29 VAL 27.838 0.310 14 0 "[ . 1 . 2]"
1 30 HIS 29.456 0.305 15 0 "[ . 1 . 2]"
1 31 VAL 30.991 0.302 3 0 "[ . 1 . 2]"
1 32 THR 10.520 0.440 15 0 "[ . 1 . 2]"
1 34 VAL 12.017 0.600 11 1 "[ . 1+ . 2]"
1 35 ASN 25.768 0.270 11 0 "[ . 1 . 2]"
1 36 ARG 30.009 0.600 11 1 "[ . 1+ . 2]"
1 37 ASP 14.039 0.270 14 0 "[ . 1 . 2]"
1 38 VAL 24.188 0.311 19 0 "[ . 1 . 2]"
1 39 THR 34.569 0.411 19 0 "[ . 1 . 2]"
1 40 LEU 36.295 0.317 19 0 "[ . 1 . 2]"
1 41 ARG 32.936 0.889 20 5 "[ . *1 * .* * +]"
1 42 VAL 21.989 0.296 3 0 "[ . 1 . 2]"
1 43 THR 17.910 0.274 8 0 "[ . 1 . 2]"
1 44 GLY 10.086 0.299 9 0 "[ . 1 . 2]"
1 45 GLU 23.498 0.421 8 0 "[ . 1 . 2]"
1 46 VAL 27.471 0.400 9 0 "[ . 1 . 2]"
1 47 HIS 12.530 0.320 16 0 "[ . 1 . 2]"
1 48 ILE 21.446 0.320 13 0 "[ . 1 . 2]"
1 49 GLY 9.872 0.240 17 0 "[ . 1 . 2]"
1 50 GLY 13.399 0.247 12 0 "[ . 1 . 2]"
1 51 VAL 27.139 0.320 16 0 "[ . 1 . 2]"
1 52 MET 27.893 0.438 19 0 "[ . 1 . 2]"
1 53 LEU 25.937 0.305 19 0 "[ . 1 . 2]"
1 54 LYS 23.278 0.284 17 0 "[ . 1 . 2]"
1 55 LEU 58.794 0.360 18 0 "[ . 1 . 2]"
1 56 VAL 26.394 0.395 11 0 "[ . 1 . 2]"
1 57 GLU 15.814 0.305 19 0 "[ . 1 . 2]"
1 58 LYS 22.333 0.231 5 0 "[ . 1 . 2]"
1 59 LEU 11.218 0.494 19 0 "[ . 1 . 2]"
1 63 LYS 7.435 0.220 10 0 "[ . 1 . 2]"
1 64 ASP 7.213 0.350 10 0 "[ . 1 . 2]"
1 65 TRP 15.330 0.578 15 2 "[ . - 1 + 2]"
1 66 SER 4.741 0.446 10 0 "[ . 1 . 2]"
1 67 ASP 0.971 0.237 5 0 "[ . 1 . 2]"
1 68 HIS 10.676 0.350 10 0 "[ . 1 . 2]"
1 69 ALA 17.754 0.354 8 0 "[ . 1 . 2]"
1 70 LEU 39.101 0.286 20 0 "[ . 1 . 2]"
1 71 TRP 13.751 0.252 10 0 "[ . 1 . 2]"
1 72 TRP 11.247 0.682 18 2 "[ . 1 * . + 2]"
1 73 GLU 7.917 0.611 1 6 "[+ * . 1 * ** -]"
1 74 LYS 21.914 0.376 2 0 "[ . 1 . 2]"
1 75 LYS 0.053 0.037 14 0 "[ . 1 . 2]"
1 76 ARG 8.894 0.335 13 0 "[ . 1 . 2]"
1 77 THR 14.074 0.512 18 1 "[ . 1 . + 2]"
1 78 TRP 14.620 0.338 18 0 "[ . 1 . 2]"
1 79 LEU 23.709 0.271 7 0 "[ . 1 . 2]"
1 80 LEU 14.666 0.236 2 0 "[ . 1 . 2]"
1 81 LYS 46.495 0.327 13 0 "[ . 1 . 2]"
1 82 THR 17.305 0.399 15 0 "[ . 1 . 2]"
1 83 HIS 2.963 0.209 12 0 "[ . 1 . 2]"
1 84 TRP 30.282 0.399 15 0 "[ . 1 . 2]"
1 85 THR 31.239 0.327 13 0 "[ . 1 . 2]"
1 86 LEU 31.194 0.609 11 4 "[ - . 1+ .* *]"
1 87 ASP 35.682 0.421 8 0 "[ . 1 . 2]"
1 88 LYS 41.805 0.609 11 4 "[ - . 1+ .* *]"
1 89 TYR 15.984 0.457 18 0 "[ . 1 . 2]"
1 90 GLY 9.361 0.317 8 0 "[ . 1 . 2]"
1 91 ILE 14.020 0.337 8 0 "[ . 1 . 2]"
1 92 GLN 9.270 0.144 14 0 "[ . 1 . 2]"
1 93 ALA 6.568 0.166 16 0 "[ . 1 . 2]"
1 94 ASP 14.328 0.285 6 0 "[ . 1 . 2]"
1 95 ALA 19.307 0.555 6 1 "[ .+ 1 . 2]"
1 96 LYS 8.480 0.232 7 0 "[ . 1 . 2]"
1 97 LEU 27.876 0.236 3 0 "[ . 1 . 2]"
1 98 GLN 33.068 0.305 15 0 "[ . 1 . 2]"
1 99 PHE 27.985 0.314 3 0 "[ . 1 . 2]"
1 100 THR 31.237 0.440 15 0 "[ . 1 . 2]"
1 101 PRO 2.077 0.245 19 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 MET HA 1 8 MET HG3 2.500 . 2.700 2.804 2.782 2.830 0.130 14 0 "[ . 1 . 2]" 1
2 1 8 MET HA 1 8 MET HG2 2.500 . 2.700 2.607 2.561 2.663 . 0 0 "[ . 1 . 2]" 1
3 1 8 MET HB2 1 9 ALA H 2.500 . 2.900 2.868 2.747 2.915 0.015 12 0 "[ . 1 . 2]" 1
4 1 8 MET HB3 1 9 ALA H 2.500 . 2.900 1.818 1.784 1.887 0.016 4 0 "[ . 1 . 2]" 1
5 1 8 MET HG3 1 9 ALA H 4.000 . 6.000 4.522 4.501 4.555 . 0 0 "[ . 1 . 2]" 1
6 1 8 MET HA 1 9 ALA H 2.500 . 2.900 2.857 2.814 2.933 0.033 2 0 "[ . 1 . 2]" 1
7 1 8 MET HB2 1 9 ALA HA 4.000 . 5.000 4.421 4.307 4.630 . 0 0 "[ . 1 . 2]" 1
8 1 9 ALA H 1 9 ALA MB 2.500 . 3.400 2.873 2.498 3.080 . 0 0 "[ . 1 . 2]" 1
9 1 9 ALA H 1 10 LEU H 4.000 . 6.000 3.291 1.832 4.330 . 0 0 "[ . 1 . 2]" 1
10 1 9 ALA H 1 10 LEU HB3 4.000 . 6.000 6.053 5.220 6.244 0.244 9 0 "[ . 1 . 2]" 1
11 1 9 ALA H 1 10 LEU HA 3.000 . 4.700 4.415 3.948 4.950 0.250 15 0 "[ . 1 . 2]" 1
12 1 9 ALA HA 1 10 LEU H 2.500 . 2.900 2.547 2.198 3.377 0.477 20 0 "[ . 1 . 2]" 1
13 1 9 ALA MB 1 10 LEU H 2.500 . 3.400 3.131 1.738 3.633 0.233 1 0 "[ . 1 . 2]" 1
14 1 9 ALA MB 1 11 ASP H 3.000 . 4.500 4.618 4.124 5.151 0.651 14 2 "[ . 1 +.- 2]" 1
15 1 10 LEU HA 1 10 LEU HG 4.000 . 6.000 3.150 2.383 3.617 . 0 0 "[ . 1 . 2]" 1
16 1 10 LEU HA 1 10 LEU MD1 4.000 . 6.500 3.815 3.095 4.166 . 0 0 "[ . 1 . 2]" 1
17 1 10 LEU HA 1 10 LEU MD2 4.000 . 6.500 2.365 2.075 3.655 . 0 0 "[ . 1 . 2]" 1
18 1 10 LEU H 1 10 LEU MD2 2.500 . 3.400 2.766 1.797 3.698 0.298 2 0 "[ . 1 . 2]" 1
19 1 10 LEU H 1 10 LEU MD1 2.500 . 3.400 3.387 1.594 3.561 0.206 2 0 "[ . 1 . 2]" 1
20 1 10 LEU H 1 10 LEU HG 2.500 . 2.900 1.955 1.748 3.063 0.163 2 0 "[ . 1 . 2]" 1
21 1 10 LEU H 1 10 LEU HB3 2.500 . 3.600 3.560 3.027 3.872 0.272 19 0 "[ . 1 . 2]" 1
22 1 10 LEU H 1 10 LEU HB2 2.500 . 2.900 2.818 2.465 3.474 0.574 10 2 "[ - . + . 2]" 1
23 1 10 LEU HB2 1 10 LEU MD1 2.500 . 3.200 2.344 2.230 2.487 . 0 0 "[ . 1 . 2]" 1
24 1 10 LEU H 1 11 ASP HB3 4.000 . 6.000 5.441 4.390 6.202 0.202 1 0 "[ . 1 . 2]" 1
25 1 10 LEU MD2 1 11 ASP H 3.000 . 4.000 4.114 3.618 4.280 0.280 12 0 "[ . 1 . 2]" 1
26 1 10 LEU HA 1 11 ASP H 2.500 . 3.500 3.351 2.132 3.552 0.052 2 0 "[ . 1 . 2]" 1
27 1 10 LEU HB3 1 11 ASP H 2.500 . 2.900 2.810 2.183 3.253 0.353 3 0 "[ . 1 . 2]" 1
28 1 10 LEU HB2 1 11 ASP H 2.500 . 2.900 1.972 1.713 3.503 0.603 14 1 "[ . 1 +. 2]" 1
29 1 10 LEU H 1 11 ASP H 4.000 . 6.000 3.512 2.925 4.538 . 0 0 "[ . 1 . 2]" 1
30 1 11 ASP H 1 11 ASP HB3 2.500 . 2.900 3.051 2.706 3.292 0.392 3 0 "[ . 1 . 2]" 1
31 1 11 ASP HA 1 12 GLY H 2.500 . 3.400 3.409 3.191 3.561 0.161 11 0 "[ . 1 . 2]" 1
32 1 11 ASP H 1 12 GLY H 2.500 . 2.900 2.508 1.727 2.979 0.079 1 0 "[ . 1 . 2]" 1
33 1 11 ASP H 1 12 GLY HA3 4.000 . 5.000 4.783 4.003 5.321 0.321 2 0 "[ . 1 . 2]" 1
34 1 11 ASP HB3 1 12 GLY H 3.000 . 3.500 2.993 1.914 3.700 0.200 15 0 "[ . 1 . 2]" 1
35 1 11 ASP HA 1 13 ILE H 4.000 . 5.000 4.149 3.106 5.238 0.238 12 0 "[ . 1 . 2]" 1
36 1 11 ASP HB3 1 13 ILE H 4.000 . 5.000 4.464 2.724 5.338 0.338 9 0 "[ . 1 . 2]" 1
37 1 11 ASP H 1 13 ILE HB 4.000 . 6.000 5.541 4.460 6.342 0.342 4 0 "[ . 1 . 2]" 1
38 1 12 GLY H 1 13 ILE H 2.500 . 2.900 2.475 1.580 3.105 0.220 19 0 "[ . 1 . 2]" 1
39 1 12 GLY HA3 1 13 ILE H 2.500 . 3.500 3.086 2.636 3.529 0.029 14 0 "[ . 1 . 2]" 1
40 1 12 GLY HA3 1 13 ILE HB 4.000 . 5.500 5.508 4.754 5.780 0.280 14 0 "[ . 1 . 2]" 1
41 1 12 GLY H 1 13 ILE HA 4.000 . 6.000 4.769 3.920 5.487 . 0 0 "[ . 1 . 2]" 1
42 1 13 ILE HA 1 13 ILE MD 2.500 . 3.800 3.764 3.591 3.840 0.040 17 0 "[ . 1 . 2]" 1
43 1 13 ILE HA 1 13 ILE MG 2.500 . 3.200 2.351 2.262 2.526 . 0 0 "[ . 1 . 2]" 1
44 1 13 ILE HA 1 13 ILE HG12 2.500 . 2.700 2.485 2.279 2.579 . 0 0 "[ . 1 . 2]" 1
45 1 13 ILE HA 1 13 ILE HG13 2.500 . 3.500 3.137 2.916 3.477 . 0 0 "[ . 1 . 2]" 1
46 1 13 ILE H 1 13 ILE HG13 2.500 . 2.900 1.920 1.766 2.387 0.034 17 0 "[ . 1 . 2]" 1
47 1 13 ILE H 1 13 ILE HG12 2.500 . 2.900 2.970 2.705 3.168 0.268 16 0 "[ . 1 . 2]" 1
48 1 13 ILE H 1 13 ILE HB 2.500 . 2.900 2.726 2.481 3.368 0.468 11 0 "[ . 1 . 2]" 1
49 1 13 ILE H 1 13 ILE MG 2.500 . 3.800 3.780 3.737 3.953 0.153 16 0 "[ . 1 . 2]" 1
50 1 13 ILE H 1 13 ILE MD 2.500 . 3.800 3.593 3.390 4.025 0.225 11 0 "[ . 1 . 2]" 1
51 1 13 ILE HB 1 13 ILE MD 2.500 . 3.200 2.393 2.317 2.633 . 0 0 "[ . 1 . 2]" 1
52 1 13 ILE H 1 14 ARG H 3.000 . 3.500 3.116 2.632 3.801 0.301 12 0 "[ . 1 . 2]" 1
53 1 13 ILE MG 1 14 ARG H 2.500 . 3.800 3.309 1.842 3.974 0.174 16 0 "[ . 1 . 2]" 1
54 1 13 ILE HB 1 14 ARG H 3.000 . 3.500 2.653 1.753 3.485 0.047 7 0 "[ . 1 . 2]" 1
55 1 13 ILE HG13 1 14 ARG H 4.000 . 5.000 4.185 3.822 4.509 . 0 0 "[ . 1 . 2]" 1
56 1 13 ILE HA 1 14 ARG H 2.500 . 3.400 3.422 3.156 3.544 0.144 14 0 "[ . 1 . 2]" 1
57 1 13 ILE HB 1 15 MET H 4.000 . 5.300 4.761 2.986 5.580 0.280 17 0 "[ . 1 . 2]" 1
58 1 13 ILE H 1 17 ASP H 4.000 . 5.800 5.782 4.825 6.073 0.273 12 0 "[ . 1 . 2]" 1
59 1 13 ILE HA 1 17 ASP H 4.000 . 6.400 5.758 4.364 6.880 0.480 5 0 "[ . 1 . 2]" 1
60 1 13 ILE HG13 1 18 GLY HA3 4.000 . 6.000 4.013 2.333 5.899 . 0 0 "[ . 1 . 2]" 1
61 1 13 ILE HG13 1 18 GLY HA2 4.000 . 6.000 5.326 3.493 6.062 0.062 17 0 "[ . 1 . 2]" 1
62 1 13 ILE MG 1 18 GLY H 4.000 . 6.500 5.372 4.351 6.158 . 0 0 "[ . 1 . 2]" 1
63 1 14 ARG H 1 14 ARG HD3 4.000 . 6.000 4.627 4.116 4.965 . 0 0 "[ . 1 . 2]" 1
64 1 14 ARG H 1 14 ARG HG3 4.000 . 5.000 4.330 3.152 4.750 . 0 0 "[ . 1 . 2]" 1
65 1 14 ARG H 1 14 ARG HB3 2.500 . 2.900 2.701 2.358 3.498 0.598 17 2 "[ . 1 . + -]" 1
66 1 14 ARG H 1 14 ARG HB2 2.500 . 2.900 2.780 2.301 3.325 0.425 5 0 "[ . 1 . 2]" 1
67 1 14 ARG HA 1 14 ARG HG3 2.500 . 3.600 3.143 2.482 3.710 0.110 20 0 "[ . 1 . 2]" 1
68 1 14 ARG HA 1 14 ARG HD3 2.500 . 2.700 2.308 2.238 2.399 . 0 0 "[ . 1 . 2]" 1
69 1 14 ARG HB3 1 14 ARG HD3 2.500 . 3.500 3.490 2.438 3.807 0.307 5 0 "[ . 1 . 2]" 1
70 1 14 ARG HB2 1 14 ARG HD3 2.500 . 3.500 2.895 2.324 3.618 0.118 17 0 "[ . 1 . 2]" 1
71 1 14 ARG HG3 1 15 MET H 3.000 . 4.500 3.683 3.296 4.550 0.050 17 0 "[ . 1 . 2]" 1
72 1 14 ARG HA 1 15 MET H 2.500 . 3.500 3.516 3.426 3.558 0.058 14 0 "[ . 1 . 2]" 1
73 1 14 ARG HB2 1 15 MET H 2.500 . 3.600 3.510 2.058 3.812 0.212 19 0 "[ . 1 . 2]" 1
74 1 14 ARG HB3 1 15 MET H 2.500 . 2.900 2.400 1.915 3.047 0.147 20 0 "[ . 1 . 2]" 1
75 1 14 ARG H 1 15 MET H 2.500 . 2.900 2.430 1.626 3.055 0.174 12 0 "[ . 1 . 2]" 1
76 1 14 ARG HD3 1 15 MET H 3.000 . 4.900 4.855 3.705 5.230 0.330 12 0 "[ . 1 . 2]" 1
77 1 14 ARG HA 1 17 ASP H 4.000 . 6.400 6.278 5.444 6.662 0.262 16 0 "[ . 1 . 2]" 1
78 1 14 ARG HG3 1 17 ASP H 4.000 . 6.400 6.462 6.116 6.769 0.369 12 0 "[ . 1 . 2]" 1
79 1 15 MET H 1 15 MET HB3 2.500 . 3.500 3.139 2.291 3.890 0.390 7 0 "[ . 1 . 2]" 1
80 1 15 MET H 1 15 MET HG2 2.500 . 3.400 2.531 1.942 3.538 0.138 4 0 "[ . 1 . 2]" 1
81 1 15 MET H 1 15 MET HG3 2.500 . 3.300 2.713 1.779 3.537 0.237 8 0 "[ . 1 . 2]" 1
82 1 15 MET HA 1 15 MET HG3 2.500 . 3.600 3.609 3.517 3.647 0.047 20 0 "[ . 1 . 2]" 1
83 1 15 MET HA 1 15 MET HG2 4.000 . 5.000 3.659 3.005 3.907 . 0 0 "[ . 1 . 2]" 1
84 1 15 MET H 1 16 PRO HD3 4.000 . 5.000 4.617 3.145 5.008 0.008 3 0 "[ . 1 . 2]" 1
85 1 15 MET H 1 17 ASP HA 4.000 . 5.800 5.825 5.275 6.120 0.320 1 0 "[ . 1 . 2]" 1
86 1 15 MET HA 1 17 ASP H 2.500 . 3.600 3.828 3.643 3.917 0.317 9 0 "[ . 1 . 2]" 1
87 1 15 MET HG3 1 17 ASP H 3.000 . 4.400 2.702 1.773 4.520 0.120 7 0 "[ . 1 . 2]" 1
88 1 15 MET HA 1 18 GLY H 4.000 . 6.000 4.904 2.743 5.562 . 0 0 "[ . 1 . 2]" 1
89 1 15 MET HG3 1 18 GLY H 4.000 . 6.000 4.664 4.168 6.040 0.040 7 0 "[ . 1 . 2]" 1
90 1 15 MET HB3 1 18 GLY H 4.000 . 6.400 6.074 4.840 6.463 0.063 18 0 "[ . 1 . 2]" 1
91 1 15 MET H 1 19 CYS HA 4.000 . 5.400 5.586 5.247 6.250 0.850 14 4 "[ *. * 1 +. - 2]" 1
92 1 15 MET H 1 19 CYS H 4.000 . 6.000 3.929 3.632 4.221 . 0 0 "[ . 1 . 2]" 1
93 1 15 MET HB3 1 19 CYS H 4.000 . 5.900 5.567 3.603 6.075 0.175 9 0 "[ . 1 . 2]" 1
94 1 15 MET HG3 1 19 CYS HB3 4.000 . 5.000 5.088 4.814 5.376 0.376 5 0 "[ . 1 . 2]" 1
95 1 15 MET HG2 1 19 CYS HB3 4.000 . 6.000 5.709 5.102 6.089 0.089 10 0 "[ . 1 . 2]" 1
96 1 16 PRO HA 1 16 PRO HG3 2.500 . 4.000 2.855 2.740 2.912 . 0 0 "[ . 1 . 2]" 1
97 1 16 PRO HA 1 16 PRO HD3 4.000 . 6.000 3.662 3.522 3.753 . 0 0 "[ . 1 . 2]" 1
98 1 16 PRO HB2 1 16 PRO HD3 2.500 . 3.900 3.830 3.790 3.863 . 0 0 "[ . 1 . 2]" 1
99 1 16 PRO HB3 1 16 PRO HD3 3.000 . 4.100 4.084 4.039 4.110 0.010 5 0 "[ . 1 . 2]" 1
100 1 16 PRO HA 1 17 ASP H 2.500 . 3.500 3.298 3.097 3.497 . 0 0 "[ . 1 . 2]" 1
101 1 16 PRO HB2 1 17 ASP H 2.500 . 3.700 3.576 3.109 3.923 0.223 12 0 "[ . 1 . 2]" 1
102 1 16 PRO HB3 1 17 ASP H 3.000 . 4.500 4.499 4.263 4.624 0.124 12 0 "[ . 1 . 2]" 1
103 1 16 PRO HG3 1 17 ASP H 3.000 . 4.700 4.863 4.771 4.959 0.259 9 0 "[ . 1 . 2]" 1
104 1 16 PRO HG3 1 19 CYS HB3 3.000 . 4.400 4.224 3.812 4.729 0.329 4 0 "[ . 1 . 2]" 1
105 1 16 PRO HB2 1 19 CYS HB3 4.000 . 6.000 5.310 5.081 5.883 . 0 0 "[ . 1 . 2]" 1
106 1 16 PRO HA 1 20 TYR H 2.500 . 2.900 2.696 2.325 3.187 0.287 14 0 "[ . 1 . 2]" 1
107 1 16 PRO HD3 1 20 TYR H 4.000 . 6.000 5.296 4.404 5.919 . 0 0 "[ . 1 . 2]" 1
108 1 17 ASP H 1 17 ASP HB3 2.500 . 3.600 3.124 2.419 3.768 0.168 17 0 "[ . 1 . 2]" 1
109 1 17 ASP HB3 1 18 GLY HA3 4.000 . 6.000 4.674 4.290 5.692 . 0 0 "[ . 1 . 2]" 1
110 1 17 ASP H 1 18 GLY HA3 4.000 . 6.000 4.719 4.235 5.179 . 0 0 "[ . 1 . 2]" 1
111 1 17 ASP H 1 18 GLY H 4.000 . 5.000 2.467 1.920 2.705 . 0 0 "[ . 1 . 2]" 1
112 1 17 ASP HA 1 18 GLY H 2.500 . 3.600 3.155 2.974 3.533 . 0 0 "[ . 1 . 2]" 1
113 1 17 ASP HB3 1 18 GLY H 4.000 . 6.000 3.944 3.191 4.421 . 0 0 "[ . 1 . 2]" 1
114 1 16 PRO HD3 1 17 ASP H 4.000 . 5.000 4.113 4.036 4.262 . 0 0 "[ . 1 . 2]" 1
115 1 17 ASP HB3 1 19 CYS H 4.000 . 6.000 5.003 4.241 5.923 . 0 0 "[ . 1 . 2]" 1
116 1 17 ASP H 1 19 CYS H 4.000 . 6.000 3.169 2.914 3.391 . 0 0 "[ . 1 . 2]" 1
117 1 18 GLY HA3 1 19 CYS H 2.500 . 3.500 3.026 2.830 3.264 . 0 0 "[ . 1 . 2]" 1
118 1 18 GLY HA2 1 19 CYS H 2.500 . 3.300 3.449 3.335 3.513 0.213 14 0 "[ . 1 . 2]" 1
119 1 18 GLY H 1 19 CYS H 4.000 . 6.000 1.752 1.637 1.853 0.163 20 0 "[ . 1 . 2]" 1
120 1 18 GLY H 1 21 ALA HA 4.000 . 6.400 5.880 4.202 6.472 0.072 4 0 "[ . 1 . 2]" 1
121 1 19 CYS H 1 19 CYS HB3 2.500 . 2.900 2.397 2.172 2.549 . 0 0 "[ . 1 . 2]" 1
122 1 19 CYS HA 1 20 TYR H 2.500 . 3.500 3.524 3.375 3.565 0.065 2 0 "[ . 1 . 2]" 1
123 1 19 CYS H 1 20 TYR H 4.000 . 6.000 3.299 2.650 3.803 . 0 0 "[ . 1 . 2]" 1
124 1 19 CYS HB3 1 20 TYR H 2.500 . 2.900 2.098 1.792 2.770 0.008 9 0 "[ . 1 . 2]" 1
125 1 19 CYS HB3 1 20 TYR HB3 4.000 . 6.000 4.948 4.295 5.963 . 0 0 "[ . 1 . 2]" 1
126 1 20 TYR H 1 20 TYR HB3 3.000 . 3.500 3.172 2.528 3.624 0.124 6 0 "[ . 1 . 2]" 1
127 1 20 TYR H 1 20 TYR HB2 2.500 . 2.900 2.653 2.147 3.065 0.165 4 0 "[ . 1 . 2]" 1
128 1 20 TYR HA 1 21 ALA H 2.500 . 2.900 2.630 2.178 3.190 0.290 19 0 "[ . 1 . 2]" 1
129 1 20 TYR HB3 1 21 ALA H 4.000 . 6.000 3.304 1.869 4.409 . 0 0 "[ . 1 . 2]" 1
130 1 20 TYR HB2 1 21 ALA H 4.000 . 6.000 4.074 3.236 4.690 . 0 0 "[ . 1 . 2]" 1
131 1 20 TYR HB3 1 22 ASP H 4.000 . 5.000 4.695 2.306 5.137 0.137 19 0 "[ . 1 . 2]" 1
132 1 21 ALA H 1 21 ALA MB 2.500 . 3.400 2.408 2.196 2.865 . 0 0 "[ . 1 . 2]" 1
133 1 21 ALA HA 1 22 ASP H 2.500 . 3.300 3.114 2.190 3.535 0.235 17 0 "[ . 1 . 2]" 1
134 1 21 ALA MB 1 22 ASP H 2.500 . 3.400 2.337 1.758 3.487 0.087 16 0 "[ . 1 . 2]" 1
135 1 21 ALA H 1 22 ASP H 4.000 . 6.000 3.692 2.214 4.463 . 0 0 "[ . 1 . 2]" 1
136 1 21 ALA MB 1 23 GLY H 4.000 . 5.500 3.800 2.474 5.866 0.366 19 0 "[ . 1 . 2]" 1
137 1 22 ASP H 1 22 ASP HB3 2.500 . 3.300 3.017 2.506 3.672 0.372 10 0 "[ . 1 . 2]" 1
138 1 22 ASP H 1 22 ASP HB2 2.500 . 2.900 2.809 2.189 3.172 0.272 19 0 "[ . 1 . 2]" 1
139 1 22 ASP HA 1 23 GLY H 2.500 . 3.300 3.197 2.227 3.539 0.239 14 0 "[ . 1 . 2]" 1
140 1 22 ASP H 1 23 GLY HA2 4.000 . 6.000 4.832 3.999 6.304 0.304 2 0 "[ . 1 . 2]" 1
141 1 22 ASP H 1 23 GLY H 4.000 . 5.000 2.724 1.732 4.587 0.068 7 0 "[ . 1 . 2]" 1
142 1 22 ASP HB2 1 23 GLY H 4.000 . 6.000 3.849 2.905 4.362 . 0 0 "[ . 1 . 2]" 1
143 1 22 ASP HB3 1 23 GLY H 3.000 . 3.500 3.123 1.899 3.607 0.107 16 0 "[ . 1 . 2]" 1
144 1 22 ASP H 1 24 THR H 2.500 . 3.900 3.941 3.530 4.374 0.474 17 0 "[ . 1 . 2]" 1
145 1 22 ASP HB2 1 24 THR H 4.000 . 6.000 4.399 2.895 5.787 . 0 0 "[ . 1 . 2]" 1
146 1 23 GLY HA3 1 24 THR H 2.500 . 3.300 3.302 2.863 3.544 0.244 8 0 "[ . 1 . 2]" 1
147 1 23 GLY HA2 1 24 THR H 2.500 . 3.300 3.200 2.572 3.516 0.216 4 0 "[ . 1 . 2]" 1
148 1 23 GLY H 1 24 THR H 2.500 . 2.900 2.718 2.477 2.951 0.051 8 0 "[ . 1 . 2]" 1
149 1 23 GLY H 1 24 THR MG 4.000 . 5.500 4.457 3.276 5.123 . 0 0 "[ . 1 . 2]" 1
150 1 24 THR H 1 24 THR HB 4.000 . 6.000 3.598 2.889 3.923 . 0 0 "[ . 1 . 2]" 1
151 1 24 THR H 1 24 THR MG 2.500 . 3.400 2.629 1.755 3.409 0.045 5 0 "[ . 1 . 2]" 1
152 1 24 THR HA 1 24 THR MG 2.500 . 3.200 2.520 2.224 3.186 . 0 0 "[ . 1 . 2]" 1
153 1 24 THR HB 1 25 TRP H 2.500 . 2.900 2.570 2.078 3.363 0.463 7 0 "[ . 1 . 2]" 1
154 1 24 THR HA 1 25 TRP H 4.000 . 6.000 2.586 2.228 2.680 . 0 0 "[ . 1 . 2]" 1
155 1 24 THR H 1 25 TRP H 3.000 . 4.600 4.499 4.378 4.611 0.011 4 0 "[ . 1 . 2]" 1
156 1 24 THR H 1 25 TRP HA 4.000 . 6.000 5.047 4.613 5.424 . 0 0 "[ . 1 . 2]" 1
157 1 24 THR MG 1 25 TRP H 2.500 . 3.400 3.559 3.306 3.665 0.265 4 0 "[ . 1 . 2]" 1
158 1 25 TRP H 1 25 TRP HE1 4.000 . 6.000 4.988 4.854 5.116 . 0 0 "[ . 1 . 2]" 1
159 1 25 TRP H 1 25 TRP HB3 2.500 . 3.800 3.752 3.621 3.850 0.050 7 0 "[ . 1 . 2]" 1
160 1 25 TRP H 1 25 TRP HD1 3.000 . 4.000 4.093 3.950 4.201 0.201 16 0 "[ . 1 . 2]" 1
161 1 25 TRP H 1 25 TRP HB2 3.000 . 4.000 3.926 3.856 4.013 0.013 16 0 "[ . 1 . 2]" 1
162 1 25 TRP HA 1 26 GLU H 2.500 . 2.900 2.752 2.698 2.824 . 0 0 "[ . 1 . 2]" 1
163 1 25 TRP HB3 1 26 GLU H 3.000 . 4.700 3.297 3.236 3.472 . 0 0 "[ . 1 . 2]" 1
164 1 25 TRP HB2 1 26 GLU H 3.000 . 4.300 1.901 1.803 1.993 . 0 0 "[ . 1 . 2]" 1
165 1 25 TRP H 1 26 GLU H 3.000 . 4.400 4.400 4.362 4.437 0.037 6 0 "[ . 1 . 2]" 1
166 1 25 TRP H 1 42 VAL HA 4.000 . 5.400 5.636 5.469 5.696 0.296 3 0 "[ . 1 . 2]" 1
167 1 25 TRP H 1 43 THR H 4.000 . 5.400 5.497 5.437 5.565 0.165 8 0 "[ . 1 . 2]" 1
168 1 25 TRP HE1 1 43 THR HB 3.000 . 4.500 4.656 4.447 4.748 0.248 8 0 "[ . 1 . 2]" 1
169 1 25 TRP HE1 1 43 THR MG 4.000 . 5.500 4.467 4.007 4.887 . 0 0 "[ . 1 . 2]" 1
170 1 25 TRP HE1 1 44 GLY H 4.000 . 5.000 3.531 3.196 3.640 . 0 0 "[ . 1 . 2]" 1
171 1 25 TRP HE1 1 44 GLY HA3 4.000 . 5.500 4.563 4.333 4.817 . 0 0 "[ . 1 . 2]" 1
172 1 25 TRP HE1 1 44 GLY HA2 4.000 . 5.500 5.271 5.095 5.504 0.004 12 0 "[ . 1 . 2]" 1
173 1 25 TRP HD1 1 44 GLY H 4.000 . 6.000 5.493 5.188 5.642 . 0 0 "[ . 1 . 2]" 1
174 1 25 TRP HZ2 1 44 GLY H 4.000 . 5.000 2.191 2.077 2.311 . 0 0 "[ . 1 . 2]" 1
175 1 25 TRP HE1 1 87 ASP HB3 4.000 . 6.400 6.629 6.538 6.735 0.335 6 0 "[ . 1 . 2]" 1
176 1 25 TRP HE1 1 91 ILE MG 4.000 . 6.500 5.897 5.757 6.234 . 0 0 "[ . 1 . 2]" 1
177 1 25 TRP HZ2 1 91 ILE MG 3.000 . 4.200 4.327 4.268 4.537 0.337 8 0 "[ . 1 . 2]" 1
178 1 25 TRP HE1 1 92 GLN HA 4.000 . 6.000 4.027 3.849 4.187 . 0 0 "[ . 1 . 2]" 1
179 1 25 TRP HE1 1 92 GLN HG3 4.000 . 6.000 5.708 5.547 6.001 0.001 8 0 "[ . 1 . 2]" 1
180 1 25 TRP HD1 1 92 GLN HB3 4.000 . 5.000 5.054 5.010 5.122 0.122 8 0 "[ . 1 . 2]" 1
181 1 25 TRP HB2 1 93 ALA HA 4.000 . 6.000 3.729 3.382 4.488 . 0 0 "[ . 1 . 2]" 1
182 1 25 TRP HD1 1 93 ALA H 4.000 . 6.000 4.738 4.499 4.999 . 0 0 "[ . 1 . 2]" 1
183 1 25 TRP HA 1 93 ALA MB 3.000 . 4.200 4.048 3.767 4.235 0.035 6 0 "[ . 1 . 2]" 1
184 1 25 TRP HB2 1 93 ALA MB 3.000 . 4.100 2.156 2.037 2.250 . 0 0 "[ . 1 . 2]" 1
185 1 26 GLU HA 1 26 GLU HG2 4.000 . 6.000 3.707 3.660 3.716 . 0 0 "[ . 1 . 2]" 1
186 1 26 GLU H 1 26 GLU HG2 2.500 . 2.900 3.082 2.791 3.160 0.260 6 0 "[ . 1 . 2]" 1
187 1 26 GLU H 1 26 GLU HB3 2.500 . 3.500 3.133 2.865 3.196 . 0 0 "[ . 1 . 2]" 1
188 1 26 GLU H 1 26 GLU HG3 3.000 . 4.100 3.837 3.792 4.154 0.054 5 0 "[ . 1 . 2]" 1
189 1 26 GLU H 1 26 GLU HB2 2.500 . 3.800 3.830 3.809 3.885 0.085 5 0 "[ . 1 . 2]" 1
190 1 26 GLU HA 1 26 GLU HG3 3.000 . 4.300 4.239 3.718 4.270 . 0 0 "[ . 1 . 2]" 1
191 1 26 GLU H 1 27 LEU H 3.000 . 4.100 4.302 4.253 4.364 0.264 6 0 "[ . 1 . 2]" 1
192 1 26 GLU HG3 1 27 LEU H 4.000 . 5.000 3.842 2.103 3.999 . 0 0 "[ . 1 . 2]" 1
193 1 26 GLU HA 1 27 LEU H 2.500 . 3.500 2.534 2.487 2.599 . 0 0 "[ . 1 . 2]" 1
194 1 26 GLU HB3 1 27 LEU H 2.500 . 3.300 3.506 3.464 3.563 0.263 5 0 "[ . 1 . 2]" 1
195 1 26 GLU HG2 1 27 LEU H 2.500 . 2.900 3.007 2.941 3.060 0.160 16 0 "[ . 1 . 2]" 1
196 1 26 GLU HB2 1 27 LEU H 2.500 . 2.900 2.013 1.933 2.282 . 0 0 "[ . 1 . 2]" 1
197 1 26 GLU H 1 27 LEU HB2 4.000 . 5.400 5.627 5.475 5.668 0.268 10 0 "[ . 1 . 2]" 1
198 1 26 GLU H 1 27 LEU MD2 4.000 . 6.500 4.240 3.942 6.027 . 0 0 "[ . 1 . 2]" 1
199 1 26 GLU HG2 1 39 THR HB 4.000 . 5.000 5.084 5.025 5.140 0.140 5 0 "[ . 1 . 2]" 1
200 1 26 GLU HB2 1 39 THR HB 4.000 . 5.000 4.547 4.463 4.713 . 0 0 "[ . 1 . 2]" 1
201 1 26 GLU HG3 1 39 THR HB 4.000 . 6.000 5.187 3.466 5.395 . 0 0 "[ . 1 . 2]" 1
202 1 26 GLU HG2 1 40 LEU H 4.000 . 6.000 6.059 6.016 6.093 0.093 5 0 "[ . 1 . 2]" 1
203 1 26 GLU HB2 1 40 LEU H 4.000 . 5.000 5.094 5.047 5.182 0.182 6 0 "[ . 1 . 2]" 1
204 1 26 GLU HB2 1 41 ARG H 4.000 . 6.000 5.275 4.956 5.400 . 0 0 "[ . 1 . 2]" 1
205 1 26 GLU H 1 93 ALA MB 2.500 . 3.400 2.622 2.325 2.873 . 0 0 "[ . 1 . 2]" 1
206 1 27 LEU H 1 27 LEU HB3 2.500 . 3.400 3.444 3.415 3.470 0.070 6 0 "[ . 1 . 2]" 1
207 1 27 LEU H 1 27 LEU MD1 4.000 . 5.500 4.452 4.393 4.705 . 0 0 "[ . 1 . 2]" 1
208 1 27 LEU H 1 27 LEU HB2 3.000 . 3.500 2.668 2.629 2.829 . 0 0 "[ . 1 . 2]" 1
209 1 27 LEU H 1 27 LEU HG 3.000 . 5.000 4.840 4.322 4.935 . 0 0 "[ . 1 . 2]" 1
210 1 27 LEU HA 1 27 LEU MD2 4.000 . 6.500 2.174 2.148 2.203 . 0 0 "[ . 1 . 2]" 1
211 1 27 LEU HA 1 27 LEU MD1 3.000 . 3.800 2.341 2.172 3.660 . 0 0 "[ . 1 . 2]" 1
212 1 27 LEU HA 1 27 LEU HG 4.000 . 5.000 3.455 2.313 3.586 . 0 0 "[ . 1 . 2]" 1
213 1 27 LEU HB2 1 27 LEU MD2 2.500 . 3.200 2.407 2.278 3.226 0.026 6 0 "[ . 1 . 2]" 1
214 1 27 LEU HB3 1 27 LEU MD2 2.500 . 3.200 3.115 2.271 3.212 0.012 8 0 "[ . 1 . 2]" 1
215 1 27 LEU H 1 27 LEU MD2 4.000 . 5.500 3.569 3.448 4.392 . 0 0 "[ . 1 . 2]" 1
216 1 27 LEU H 1 28 SER HB3 4.000 . 5.900 5.614 5.534 5.663 . 0 0 "[ . 1 . 2]" 1
217 1 27 LEU H 1 28 SER H 3.000 . 4.400 4.402 4.373 4.421 0.021 6 0 "[ . 1 . 2]" 1
218 1 27 LEU HA 1 28 SER HA 3.000 . 4.500 4.474 4.430 4.491 . 0 0 "[ . 1 . 2]" 1
219 1 27 LEU MD2 1 28 SER HA 4.000 . 6.500 5.641 3.974 5.876 . 0 0 "[ . 1 . 2]" 1
220 1 27 LEU HA 1 28 SER H 2.500 . 2.900 2.309 2.293 2.331 . 0 0 "[ . 1 . 2]" 1
221 1 27 LEU HG 1 28 SER H 3.000 . 4.300 4.326 3.645 4.417 0.117 5 0 "[ . 1 . 2]" 1
222 1 27 LEU HB2 1 28 SER H 4.000 . 6.000 4.188 4.096 4.214 . 0 0 "[ . 1 . 2]" 1
223 1 27 LEU HB3 1 28 SER H 2.500 . 2.900 3.057 2.990 3.083 0.183 10 0 "[ . 1 . 2]" 1
224 1 27 LEU MD1 1 28 SER H 2.500 . 3.400 2.262 2.032 3.964 0.564 19 2 "[ .- 1 . +2]" 1
225 1 27 LEU MD2 1 28 SER H 2.500 . 3.800 3.533 1.667 3.834 0.133 19 0 "[ . 1 . 2]" 1
226 1 27 LEU H 1 39 THR HB 4.000 . 6.000 4.146 3.977 4.209 . 0 0 "[ . 1 . 2]" 1
227 1 27 LEU HB2 1 39 THR HB 4.000 . 6.000 5.717 5.592 5.979 . 0 0 "[ . 1 . 2]" 1
228 1 27 LEU H 1 39 THR HA 4.000 . 5.900 5.421 5.291 5.470 . 0 0 "[ . 1 . 2]" 1
229 1 27 LEU H 1 40 LEU MD1 4.000 . 6.100 5.851 5.717 5.906 . 0 0 "[ . 1 . 2]" 1
230 1 27 LEU H 1 40 LEU HB3 4.000 . 5.200 4.519 4.310 4.650 . 0 0 "[ . 1 . 2]" 1
231 1 27 LEU HB3 1 40 LEU H 2.500 . 2.900 3.038 2.982 3.217 0.317 19 0 "[ . 1 . 2]" 1
232 1 27 LEU H 1 40 LEU H 3.000 . 4.000 3.731 3.592 3.772 . 0 0 "[ . 1 . 2]" 1
233 1 27 LEU MD2 1 40 LEU HA 4.000 . 6.500 6.669 6.500 6.755 0.255 8 0 "[ . 1 . 2]" 1
234 1 27 LEU HB3 1 40 LEU HB3 3.000 . 3.700 3.702 3.561 3.740 0.040 1 0 "[ . 1 . 2]" 1
235 1 27 LEU HA 1 40 LEU HB3 4.000 . 6.000 5.993 5.900 6.078 0.078 20 0 "[ . 1 . 2]" 1
236 1 27 LEU H 1 41 ARG H 4.000 . 6.000 4.883 4.666 4.943 . 0 0 "[ . 1 . 2]" 1
237 1 27 LEU H 1 41 ARG HA 2.500 . 3.400 3.157 2.969 3.287 . 0 0 "[ . 1 . 2]" 1
238 1 27 LEU HB2 1 41 ARG H 4.000 . 5.100 5.286 5.229 5.450 0.350 6 0 "[ . 1 . 2]" 1
239 1 27 LEU H 1 42 VAL H 2.500 . 3.300 3.410 3.362 3.465 0.165 5 0 "[ . 1 . 2]" 1
240 1 27 LEU HG 1 42 VAL H 4.000 . 5.400 5.548 5.454 5.624 0.224 5 0 "[ . 1 . 2]" 1
241 1 27 LEU MD1 1 92 GLN H 4.000 . 5.500 5.075 4.836 5.438 . 0 0 "[ . 1 . 2]" 1
242 1 27 LEU MD2 1 93 ALA HA 4.000 . 6.500 2.568 2.404 3.311 . 0 0 "[ . 1 . 2]" 1
243 1 27 LEU HG 1 93 ALA HA 4.000 . 6.000 5.235 2.328 5.679 . 0 0 "[ . 1 . 2]" 1
244 1 27 LEU MD1 1 93 ALA H 4.000 . 6.500 5.802 5.412 6.040 . 0 0 "[ . 1 . 2]" 1
245 1 27 LEU MD1 1 93 ALA MB 3.000 . 4.700 4.807 4.609 4.866 0.166 16 0 "[ . 1 . 2]" 1
246 1 27 LEU MD1 1 94 ASP H 4.000 . 6.500 5.425 5.265 5.586 . 0 0 "[ . 1 . 2]" 1
247 1 27 LEU MD2 1 95 ALA H 2.500 . 3.800 3.779 2.978 3.935 0.135 4 0 "[ . 1 . 2]" 1
248 1 27 LEU MD1 1 95 ALA H 2.500 . 3.800 3.739 3.492 4.355 0.555 6 1 "[ .+ 1 . 2]" 1
249 1 27 LEU MD1 1 97 LEU HA 4.000 . 5.500 4.570 4.380 5.637 0.137 6 0 "[ . 1 . 2]" 1
250 1 28 SER H 1 28 SER HB3 2.500 . 3.400 3.321 3.172 3.390 . 0 0 "[ . 1 . 2]" 1
251 1 28 SER HB3 1 29 VAL MG2 4.000 . 5.900 6.002 5.968 6.124 0.224 14 0 "[ . 1 . 2]" 1
252 1 28 SER HB3 1 29 VAL H 2.500 . 3.900 3.947 3.918 3.980 0.080 20 0 "[ . 1 . 2]" 1
253 1 28 SER HA 1 29 VAL H 2.500 . 2.900 2.097 2.088 2.111 . 0 0 "[ . 1 . 2]" 1
254 1 28 SER H 1 29 VAL H 3.000 . 4.100 4.339 4.314 4.402 0.302 19 0 "[ . 1 . 2]" 1
255 1 28 SER HA 1 29 VAL HB 4.000 . 6.000 4.219 4.123 4.281 . 0 0 "[ . 1 . 2]" 1
256 1 28 SER H 1 29 VAL HA 4.000 . 6.000 4.914 4.880 5.043 . 0 0 "[ . 1 . 2]" 1
257 1 28 SER HA 1 30 HIS H 4.000 . 6.000 6.211 6.190 6.230 0.230 6 0 "[ . 1 . 2]" 1
258 1 28 SER HB3 1 39 THR HA 3.000 . 4.500 4.571 4.532 4.609 0.109 11 0 "[ . 1 . 2]" 1
259 1 28 SER HA 1 39 THR HA 2.500 . 2.700 2.365 2.325 2.403 . 0 0 "[ . 1 . 2]" 1
260 1 28 SER HA 1 39 THR MG 2.500 . 3.200 2.205 2.186 2.223 . 0 0 "[ . 1 . 2]" 1
261 1 28 SER H 1 39 THR HB 3.000 . 4.600 4.761 4.737 4.787 0.187 2 0 "[ . 1 . 2]" 1
262 1 28 SER H 1 39 THR MG 3.000 . 4.500 4.697 4.657 4.736 0.236 6 0 "[ . 1 . 2]" 1
263 1 28 SER H 1 39 THR HA 4.000 . 6.000 4.836 4.806 4.867 . 0 0 "[ . 1 . 2]" 1
264 1 28 SER HB3 1 40 LEU H 4.000 . 5.200 5.271 5.245 5.299 0.099 2 0 "[ . 1 . 2]" 1
265 1 28 SER H 1 40 LEU H 4.000 . 6.000 4.335 4.257 4.376 . 0 0 "[ . 1 . 2]" 1
266 1 28 SER HB3 1 97 LEU H 4.000 . 5.000 5.104 5.047 5.171 0.171 6 0 "[ . 1 . 2]" 1
267 1 28 SER H 1 97 LEU H 4.000 . 6.000 3.203 3.124 3.476 . 0 0 "[ . 1 . 2]" 1
268 1 28 SER H 1 97 LEU MD2 4.000 . 6.500 5.379 5.217 5.673 . 0 0 "[ . 1 . 2]" 1
269 1 29 VAL H 1 29 VAL HB 2.500 . 2.900 2.454 2.407 2.520 . 0 0 "[ . 1 . 2]" 1
270 1 29 VAL H 1 29 VAL MG2 2.500 . 3.400 3.339 3.291 3.444 0.044 6 0 "[ . 1 . 2]" 1
271 1 29 VAL H 1 29 VAL MG1 3.000 . 4.000 3.581 3.438 3.632 . 0 0 "[ . 1 . 2]" 1
272 1 29 VAL HA 1 29 VAL MG2 2.500 . 3.200 2.157 2.134 2.166 . 0 0 "[ . 1 . 2]" 1
273 1 29 VAL HB 1 30 HIS H 4.000 . 5.000 3.933 3.897 3.996 . 0 0 "[ . 1 . 2]" 1
274 1 29 VAL HA 1 30 HIS H 2.500 . 2.900 2.222 2.211 2.237 . 0 0 "[ . 1 . 2]" 1
275 1 29 VAL MG2 1 30 HIS H 2.500 . 3.400 3.054 2.872 3.102 . 0 0 "[ . 1 . 2]" 1
276 1 29 VAL H 1 30 HIS H 3.000 . 4.400 4.419 4.400 4.429 0.029 5 0 "[ . 1 . 2]" 1
277 1 29 VAL HA 1 30 HIS HB2 4.000 . 6.000 3.784 3.766 3.799 . 0 0 "[ . 1 . 2]" 1
278 1 29 VAL MG2 1 31 VAL H 4.000 . 6.100 6.187 6.109 6.274 0.174 14 0 "[ . 1 . 2]" 1
279 1 29 VAL MG1 1 36 ARG H 4.000 . 6.500 6.681 6.638 6.711 0.211 11 0 "[ . 1 . 2]" 1
280 1 29 VAL H 1 37 ASP HB3 4.000 . 6.000 5.689 5.057 5.843 . 0 0 "[ . 1 . 2]" 1
281 1 29 VAL H 1 38 VAL HB 3.000 . 4.800 4.812 4.748 4.872 0.072 14 0 "[ . 1 . 2]" 1
282 1 29 VAL H 1 38 VAL H 2.500 . 3.600 3.844 3.806 3.910 0.310 14 0 "[ . 1 . 2]" 1
283 1 29 VAL MG1 1 39 THR HB 4.000 . 6.500 6.205 5.962 6.316 . 0 0 "[ . 1 . 2]" 1
284 1 29 VAL H 1 39 THR HB 2.500 . 3.500 3.618 3.559 3.702 0.202 6 0 "[ . 1 . 2]" 1
285 1 29 VAL H 1 39 THR HA 2.500 . 2.900 1.893 1.816 1.957 . 0 0 "[ . 1 . 2]" 1
286 1 29 VAL MG2 1 39 THR HA 2.500 . 3.900 3.720 3.666 3.815 . 0 0 "[ . 1 . 2]" 1
287 1 29 VAL HB 1 39 THR HA 4.000 . 5.000 2.723 2.560 2.829 . 0 0 "[ . 1 . 2]" 1
288 1 29 VAL H 1 55 LEU MD1 4.000 . 6.500 5.645 5.420 5.790 . 0 0 "[ . 1 . 2]" 1
289 1 29 VAL H 1 55 LEU MD2 4.000 . 6.500 5.363 5.196 5.460 . 0 0 "[ . 1 . 2]" 1
290 1 29 VAL HB 1 55 LEU MD1 3.000 . 4.200 3.935 3.657 4.078 . 0 0 "[ . 1 . 2]" 1
291 1 29 VAL HB 1 55 LEU MD2 2.500 . 3.200 3.230 3.062 3.323 0.123 14 0 "[ . 1 . 2]" 1
292 1 29 VAL MG2 1 55 LEU MD2 2.500 . 3.700 2.376 2.235 2.526 . 0 0 "[ . 1 . 2]" 1
293 1 29 VAL MG2 1 55 LEU MD1 3.000 . 4.300 3.918 3.805 4.025 . 0 0 "[ . 1 . 2]" 1
294 1 29 VAL H 1 97 LEU H 4.000 . 5.000 4.787 4.716 4.943 . 0 0 "[ . 1 . 2]" 1
295 1 29 VAL HA 1 97 LEU H 2.500 . 3.300 3.336 3.308 3.400 0.100 6 0 "[ . 1 . 2]" 1
296 1 29 VAL MG2 1 97 LEU H 2.500 . 3.800 3.944 3.904 4.003 0.203 19 0 "[ . 1 . 2]" 1
297 1 29 VAL MG2 1 97 LEU HA 3.000 . 4.300 4.325 4.282 4.371 0.071 11 0 "[ . 1 . 2]" 1
298 1 29 VAL HA 1 98 GLN HA 4.000 . 6.000 3.222 3.182 3.259 . 0 0 "[ . 1 . 2]" 1
299 1 29 VAL MG2 1 98 GLN HA 3.000 . 3.800 3.772 3.624 3.822 0.022 20 0 "[ . 1 . 2]" 1
300 1 29 VAL MG2 1 98 GLN H 2.500 . 3.400 3.471 3.397 3.510 0.110 5 0 "[ . 1 . 2]" 1
301 1 29 VAL MG2 1 99 PHE HA 4.000 . 5.500 4.263 4.092 4.442 . 0 0 "[ . 1 . 2]" 1
302 1 29 VAL MG2 1 99 PHE HB2 4.000 . 6.500 3.739 3.528 4.290 . 0 0 "[ . 1 . 2]" 1
303 1 29 VAL MG2 1 99 PHE HB3 4.000 . 6.500 5.140 4.808 5.629 . 0 0 "[ . 1 . 2]" 1
304 1 30 HIS H 1 30 HIS HB2 2.500 . 2.900 2.687 2.652 2.714 . 0 0 "[ . 1 . 2]" 1
305 1 30 HIS H 1 30 HIS HB3 2.500 . 3.500 3.275 3.244 3.391 . 0 0 "[ . 1 . 2]" 1
306 1 30 HIS HB3 1 31 VAL H 4.000 . 5.000 3.808 3.478 3.888 . 0 0 "[ . 1 . 2]" 1
307 1 30 HIS HB2 1 31 VAL H 3.000 . 4.400 4.539 4.373 4.575 0.175 12 0 "[ . 1 . 2]" 1
308 1 30 HIS H 1 31 VAL H 4.000 . 6.000 4.235 4.171 4.369 . 0 0 "[ . 1 . 2]" 1
309 1 30 HIS HA 1 31 VAL H 2.500 . 2.900 2.214 2.196 2.291 . 0 0 "[ . 1 . 2]" 1
310 1 30 HIS H 1 31 VAL MG2 4.000 . 5.500 4.278 4.198 4.376 . 0 0 "[ . 1 . 2]" 1
311 1 30 HIS H 1 31 VAL MG1 4.000 . 6.500 5.832 5.690 5.920 . 0 0 "[ . 1 . 2]" 1
312 1 30 HIS HB2 1 31 VAL HA 4.000 . 5.500 5.679 5.604 5.711 0.211 1 0 "[ . 1 . 2]" 1
313 1 30 HIS H 1 31 VAL HA 4.000 . 5.000 4.625 4.555 4.670 . 0 0 "[ . 1 . 2]" 1
314 1 30 HIS H 1 37 ASP HB3 4.000 . 5.000 5.156 4.919 5.221 0.221 20 0 "[ . 1 . 2]" 1
315 1 30 HIS H 1 37 ASP HA 4.000 . 6.000 4.712 4.649 4.787 . 0 0 "[ . 1 . 2]" 1
316 1 30 HIS HA 1 37 ASP HB3 3.000 . 3.300 2.355 2.323 2.398 . 0 0 "[ . 1 . 2]" 1
317 1 30 HIS HA 1 37 ASP HA 2.500 . 2.700 2.384 2.314 2.500 . 0 0 "[ . 1 . 2]" 1
318 1 30 HIS HB2 1 38 VAL H 4.000 . 6.000 5.505 5.393 5.606 . 0 0 "[ . 1 . 2]" 1
319 1 30 HIS H 1 38 VAL H 3.000 . 4.300 4.335 4.249 4.392 0.092 12 0 "[ . 1 . 2]" 1
320 1 30 HIS H 1 70 LEU MD1 4.000 . 5.500 4.621 4.477 4.770 . 0 0 "[ . 1 . 2]" 1
321 1 30 HIS H 1 97 LEU HA 4.000 . 6.000 5.055 5.016 5.098 . 0 0 "[ . 1 . 2]" 1
322 1 30 HIS H 1 97 LEU H 4.000 . 5.000 5.096 5.058 5.133 0.133 6 0 "[ . 1 . 2]" 1
323 1 30 HIS H 1 98 GLN HA 2.500 . 2.900 1.547 1.495 1.598 0.305 15 0 "[ . 1 . 2]" 1
324 1 30 HIS H 1 98 GLN H 4.000 . 6.000 3.742 3.704 3.776 . 0 0 "[ . 1 . 2]" 1
325 1 30 HIS H 1 98 GLN HB3 4.000 . 5.000 3.731 3.666 3.779 . 0 0 "[ . 1 . 2]" 1
326 1 30 HIS H 1 98 GLN HG2 4.000 . 5.000 4.143 3.983 4.295 . 0 0 "[ . 1 . 2]" 1
327 1 30 HIS HB2 1 98 GLN H 4.000 . 6.000 4.702 4.611 4.777 . 0 0 "[ . 1 . 2]" 1
328 1 30 HIS HB3 1 98 GLN H 4.000 . 6.000 5.134 5.076 5.268 . 0 0 "[ . 1 . 2]" 1
329 1 30 HIS H 1 98 GLN HG3 4.000 . 6.000 4.470 4.421 4.564 . 0 0 "[ . 1 . 2]" 1
330 1 30 HIS HB3 1 98 GLN HG2 2.500 . 2.700 2.505 2.389 2.708 0.008 15 0 "[ . 1 . 2]" 1
331 1 30 HIS HB2 1 98 GLN HG2 2.500 . 2.700 2.603 2.435 2.747 0.047 20 0 "[ . 1 . 2]" 1
332 1 30 HIS HB3 1 98 GLN HG3 3.000 . 4.200 3.985 3.884 4.171 . 0 0 "[ . 1 . 2]" 1
333 1 30 HIS HB2 1 98 GLN HG3 2.500 . 3.600 3.771 3.730 3.847 0.247 10 0 "[ . 1 . 2]" 1
334 1 30 HIS HB3 1 98 GLN HB3 3.000 . 3.300 2.383 2.349 2.428 . 0 0 "[ . 1 . 2]" 1
335 1 30 HIS HB3 1 98 GLN HB2 3.000 . 3.800 3.997 3.972 4.036 0.236 16 0 "[ . 1 . 2]" 1
336 1 30 HIS H 1 99 PHE H 4.000 . 5.000 3.117 3.029 3.241 . 0 0 "[ . 1 . 2]" 1
337 1 31 VAL H 1 31 VAL HB 2.500 . 2.900 2.792 2.693 2.889 . 0 0 "[ . 1 . 2]" 1
338 1 31 VAL H 1 31 VAL MG1 2.500 . 4.000 3.830 3.785 3.916 . 0 0 "[ . 1 . 2]" 1
339 1 31 VAL H 1 31 VAL MG2 2.500 . 3.400 2.112 1.970 2.420 . 0 0 "[ . 1 . 2]" 1
340 1 31 VAL H 1 32 THR H 4.000 . 6.000 4.349 4.247 4.527 . 0 0 "[ . 1 . 2]" 1
341 1 31 VAL MG1 1 32 THR HA 4.000 . 6.500 4.486 4.157 4.728 . 0 0 "[ . 1 . 2]" 1
342 1 31 VAL MG2 1 32 THR H 3.000 . 4.300 4.321 4.218 4.354 0.054 16 0 "[ . 1 . 2]" 1
343 1 31 VAL MG1 1 32 THR H 2.500 . 3.400 3.053 2.544 3.290 . 0 0 "[ . 1 . 2]" 1
344 1 31 VAL HA 1 32 THR H 4.000 . 6.000 2.163 2.107 2.214 . 0 0 "[ . 1 . 2]" 1
345 1 31 VAL HB 1 32 THR H 4.000 . 6.000 4.204 3.960 4.331 . 0 0 "[ . 1 . 2]" 1
346 1 31 VAL HB 1 34 VAL H 4.000 . 5.000 3.957 3.642 4.241 . 0 0 "[ . 1 . 2]" 1
347 1 31 VAL MG1 1 34 VAL H 3.000 . 4.300 3.108 2.466 3.477 . 0 0 "[ . 1 . 2]" 1
348 1 31 VAL H 1 35 ASN HA 4.000 . 6.000 5.150 4.657 5.391 . 0 0 "[ . 1 . 2]" 1
349 1 31 VAL H 1 36 ARG HG3 4.000 . 5.000 4.560 3.946 5.166 0.166 10 0 "[ . 1 . 2]" 1
350 1 31 VAL H 1 36 ARG H 2.500 . 3.800 3.876 3.827 4.060 0.260 11 0 "[ . 1 . 2]" 1
351 1 31 VAL MG1 1 36 ARG H 2.500 . 3.400 3.521 3.351 3.702 0.302 3 0 "[ . 1 . 2]" 1
352 1 31 VAL MG2 1 36 ARG H 2.500 . 3.400 3.466 3.342 3.609 0.209 1 0 "[ . 1 . 2]" 1
353 1 31 VAL HA 1 36 ARG H 4.000 . 5.000 4.865 4.766 5.020 0.020 11 0 "[ . 1 . 2]" 1
354 1 31 VAL HB 1 36 ARG H 2.500 . 2.900 2.126 2.044 2.228 . 0 0 "[ . 1 . 2]" 1
355 1 31 VAL H 1 37 ASP HA 2.500 . 2.900 2.261 2.152 2.550 . 0 0 "[ . 1 . 2]" 1
356 1 31 VAL H 1 37 ASP H 4.000 . 6.000 4.418 4.253 4.680 . 0 0 "[ . 1 . 2]" 1
357 1 31 VAL HA 1 37 ASP HA 3.000 . 4.700 4.863 4.813 4.921 0.221 5 0 "[ . 1 . 2]" 1
358 1 31 VAL HA 1 37 ASP HB3 4.000 . 6.200 6.247 6.173 6.409 0.209 13 0 "[ . 1 . 2]" 1
359 1 31 VAL MG2 1 37 ASP HA 4.000 . 5.500 2.261 2.221 2.312 . 0 0 "[ . 1 . 2]" 1
360 1 31 VAL H 1 38 VAL HB 4.000 . 6.000 5.931 5.779 6.091 0.091 14 0 "[ . 1 . 2]" 1
361 1 31 VAL H 1 38 VAL H 3.000 . 4.200 3.968 3.846 4.285 0.085 14 0 "[ . 1 . 2]" 1
362 1 31 VAL MG2 1 38 VAL HA 4.000 . 6.500 4.940 4.803 5.034 . 0 0 "[ . 1 . 2]" 1
363 1 31 VAL HA 1 38 VAL H 4.000 . 5.800 5.909 5.814 5.981 0.181 5 0 "[ . 1 . 2]" 1
364 1 31 VAL HB 1 38 VAL H 4.000 . 6.000 5.844 5.750 5.943 . 0 0 "[ . 1 . 2]" 1
365 1 31 VAL MG2 1 38 VAL H 3.000 . 4.000 3.286 3.165 3.397 . 0 0 "[ . 1 . 2]" 1
366 1 31 VAL MG2 1 38 VAL HB 3.000 . 3.800 3.842 3.681 3.909 0.109 15 0 "[ . 1 . 2]" 1
367 1 31 VAL MG1 1 69 ALA H 4.000 . 6.100 6.299 6.196 6.364 0.264 12 0 "[ . 1 . 2]" 1
368 1 31 VAL H 1 98 GLN HA 4.000 . 6.000 4.679 4.612 4.710 . 0 0 "[ . 1 . 2]" 1
369 1 31 VAL MG1 1 98 GLN HA 4.000 . 6.500 5.970 5.886 6.060 . 0 0 "[ . 1 . 2]" 1
370 1 31 VAL MG2 1 98 GLN H 4.000 . 6.900 6.964 6.874 7.034 0.134 10 0 "[ . 1 . 2]" 1
371 1 31 VAL MG1 1 99 PHE H 4.000 . 5.500 4.189 4.068 4.294 . 0 0 "[ . 1 . 2]" 1
372 1 31 VAL HB 1 99 PHE H 4.000 . 5.300 5.403 5.267 5.462 0.162 8 0 "[ . 1 . 2]" 1
373 1 31 VAL MG1 1 99 PHE HB2 2.500 . 3.600 3.593 3.066 3.699 0.099 7 0 "[ . 1 . 2]" 1
374 1 31 VAL MG2 1 99 PHE HB2 2.500 . 3.200 2.773 2.381 3.260 0.060 10 0 "[ . 1 . 2]" 1
375 1 32 THR H 1 32 THR HB 3.000 . 3.500 3.442 2.580 3.641 0.141 15 0 "[ . 1 . 2]" 1
376 1 32 THR HA 1 32 THR MG 2.500 . 3.200 2.512 2.234 3.200 0.000 2 0 "[ . 1 . 2]" 1
377 1 32 THR H 1 32 THR MG 2.500 . 3.400 2.280 1.764 2.806 0.036 14 0 "[ . 1 . 2]" 1
378 1 32 THR HA 1 35 ASN H 3.000 . 3.500 3.147 2.980 3.328 . 0 0 "[ . 1 . 2]" 1
379 1 32 THR H 1 35 ASN HA 4.000 . 5.800 5.737 5.070 5.893 0.093 17 0 "[ . 1 . 2]" 1
380 1 32 THR HA 1 36 ARG H 4.000 . 5.000 5.035 4.872 5.203 0.203 11 0 "[ . 1 . 2]" 1
381 1 32 THR H 1 36 ARG H 4.000 . 6.000 5.535 5.419 5.675 . 0 0 "[ . 1 . 2]" 1
382 1 32 THR MG 1 71 TRP H 4.000 . 5.500 4.412 3.709 5.011 . 0 0 "[ . 1 . 2]" 1
383 1 32 THR H 1 71 TRP HB3 4.000 . 6.000 5.567 5.109 6.018 0.018 11 0 "[ . 1 . 2]" 1
384 1 32 THR H 1 71 TRP HB2 4.000 . 6.000 5.161 4.800 6.106 0.106 14 0 "[ . 1 . 2]" 1
385 1 32 THR H 1 98 GLN HB2 4.000 . 6.000 4.791 4.444 5.403 . 0 0 "[ . 1 . 2]" 1
386 1 32 THR H 1 99 PHE H 4.000 . 5.000 3.054 2.688 3.578 . 0 0 "[ . 1 . 2]" 1
387 1 32 THR MG 1 99 PHE H 4.000 . 6.500 3.390 2.693 4.112 . 0 0 "[ . 1 . 2]" 1
388 1 32 THR H 1 99 PHE HB2 4.000 . 5.000 4.924 4.068 5.206 0.206 3 0 "[ . 1 . 2]" 1
389 1 32 THR H 1 99 PHE HA 4.000 . 6.000 5.016 4.688 5.305 . 0 0 "[ . 1 . 2]" 1
390 1 32 THR HB 1 100 THR HB 4.000 . 6.000 4.448 4.089 4.691 . 0 0 "[ . 1 . 2]" 1
391 1 32 THR HB 1 100 THR HA 4.000 . 6.000 5.497 4.738 5.948 . 0 0 "[ . 1 . 2]" 1
392 1 32 THR HA 1 100 THR MG 4.000 . 6.500 6.605 6.522 6.703 0.203 16 0 "[ . 1 . 2]" 1
393 1 32 THR H 1 100 THR MG 3.000 . 4.500 4.635 4.546 4.940 0.440 15 0 "[ . 1 . 2]" 1
394 1 32 THR H 1 100 THR HB 2.500 . 3.600 3.635 3.532 3.772 0.172 12 0 "[ . 1 . 2]" 1
395 1 34 VAL HA 1 34 VAL MG2 3.000 . 3.800 2.516 2.449 3.156 . 0 0 "[ . 1 . 2]" 1
396 1 34 VAL H 1 34 VAL MG2 2.500 . 3.400 2.606 2.390 2.821 . 0 0 "[ . 1 . 2]" 1
397 1 34 VAL H 1 34 VAL MG1 3.000 . 4.100 3.876 2.377 4.006 . 0 0 "[ . 1 . 2]" 1
398 1 34 VAL H 1 34 VAL HB 2.500 . 3.600 2.909 2.737 3.913 0.313 11 0 "[ . 1 . 2]" 1
399 1 34 VAL HA 1 34 VAL MG1 2.500 . 3.200 2.314 2.236 2.637 . 0 0 "[ . 1 . 2]" 1
400 1 34 VAL H 1 35 ASN HA 3.000 . 4.300 3.943 3.876 4.015 . 0 0 "[ . 1 . 2]" 1
401 1 34 VAL H 1 35 ASN H 2.500 . 2.900 1.731 1.680 1.804 0.120 11 0 "[ . 1 . 2]" 1
402 1 34 VAL HA 1 35 ASN H 2.500 . 3.500 3.478 3.454 3.489 . 0 0 "[ . 1 . 2]" 1
403 1 34 VAL HB 1 35 ASN H 3.000 . 4.200 2.967 2.772 4.216 0.016 11 0 "[ . 1 . 2]" 1
404 1 34 VAL MG2 1 35 ASN H 3.000 . 4.100 3.614 2.218 3.801 . 0 0 "[ . 1 . 2]" 1
405 1 34 VAL H 1 35 ASN HB2 3.000 . 4.000 4.168 4.114 4.224 0.224 11 0 "[ . 1 . 2]" 1
406 1 34 VAL H 1 36 ARG H 2.500 . 3.900 3.919 3.835 4.016 0.116 12 0 "[ . 1 . 2]" 1
407 1 34 VAL MG1 1 36 ARG H 2.500 . 3.400 3.369 3.165 4.000 0.600 11 1 "[ . 1+ . 2]" 1
408 1 34 VAL HB 1 36 ARG H 3.000 . 4.400 2.741 2.606 4.204 . 0 0 "[ . 1 . 2]" 1
409 1 34 VAL MG2 1 99 PHE H 4.000 . 6.300 6.385 6.193 6.570 0.270 15 0 "[ . 1 . 2]" 1
410 1 34 VAL H 1 100 THR HB 4.000 . 6.400 6.579 6.491 6.712 0.312 12 0 "[ . 1 . 2]" 1
411 1 35 ASN H 1 35 ASN HB2 2.500 . 2.900 3.085 3.035 3.141 0.241 11 0 "[ . 1 . 2]" 1
412 1 35 ASN H 1 35 ASN HB3 2.500 . 3.600 3.821 3.795 3.837 0.237 16 0 "[ . 1 . 2]" 1
413 1 35 ASN HA 1 36 ARG H 2.500 . 2.900 3.105 3.066 3.151 0.251 11 0 "[ . 1 . 2]" 1
414 1 35 ASN H 1 36 ARG H 2.500 . 2.900 2.623 2.553 2.693 . 0 0 "[ . 1 . 2]" 1
415 1 35 ASN HB2 1 36 ARG H 3.000 . 4.100 4.327 4.308 4.370 0.270 11 0 "[ . 1 . 2]" 1
416 1 35 ASN HB3 1 36 ARG H 2.500 . 3.700 3.884 3.849 3.911 0.211 7 0 "[ . 1 . 2]" 1
417 1 36 ARG HA 1 36 ARG HD3 3.000 . 4.900 4.690 4.055 5.028 0.128 8 0 "[ . 1 . 2]" 1
418 1 36 ARG H 1 36 ARG HD3 4.000 . 5.000 4.518 4.079 4.797 . 0 0 "[ . 1 . 2]" 1
419 1 36 ARG HB3 1 36 ARG HD3 4.000 . 6.000 2.830 2.309 3.602 . 0 0 "[ . 1 . 2]" 1
420 1 36 ARG HB2 1 36 ARG HD3 4.000 . 6.000 2.839 2.321 3.842 . 0 0 "[ . 1 . 2]" 1
421 1 36 ARG H 1 36 ARG HB3 2.500 . 3.900 3.526 2.972 3.798 . 0 0 "[ . 1 . 2]" 1
422 1 36 ARG H 1 36 ARG HB2 2.500 . 3.600 3.430 3.071 3.809 0.209 11 0 "[ . 1 . 2]" 1
423 1 36 ARG H 1 36 ARG HG2 2.500 . 2.900 2.445 1.856 3.171 0.271 11 0 "[ . 1 . 2]" 1
424 1 36 ARG H 1 36 ARG HG3 2.500 . 3.800 2.346 1.965 2.919 . 0 0 "[ . 1 . 2]" 1
425 1 36 ARG HA 1 36 ARG HG2 4.000 . 6.000 3.319 2.914 4.180 . 0 0 "[ . 1 . 2]" 1
426 1 36 ARG HA 1 36 ARG HG3 4.000 . 6.000 3.683 3.528 3.868 . 0 0 "[ . 1 . 2]" 1
427 1 36 ARG HB2 1 37 ASP H 2.500 . 2.900 2.352 2.072 2.626 . 0 0 "[ . 1 . 2]" 1
428 1 36 ARG HA 1 37 ASP H 4.000 . 6.000 2.678 2.656 2.718 . 0 0 "[ . 1 . 2]" 1
429 1 36 ARG H 1 37 ASP H 3.000 . 4.500 4.487 4.466 4.515 0.015 11 0 "[ . 1 . 2]" 1
430 1 36 ARG HB3 1 37 ASP H 2.500 . 3.600 3.078 2.565 3.691 0.091 11 0 "[ . 1 . 2]" 1
431 1 36 ARG HG3 1 37 ASP HA 4.000 . 6.000 4.891 3.892 5.772 . 0 0 "[ . 1 . 2]" 1
432 1 36 ARG HB2 1 38 VAL HA 4.000 . 6.000 6.180 6.069 6.311 0.311 19 0 "[ . 1 . 2]" 1
433 1 37 ASP H 1 37 ASP HB3 2.500 . 3.800 3.836 3.693 3.974 0.174 18 0 "[ . 1 . 2]" 1
434 1 37 ASP HB3 1 38 VAL HA 4.000 . 6.000 5.476 4.907 5.580 . 0 0 "[ . 1 . 2]" 1
435 1 37 ASP H 1 38 VAL H 3.000 . 4.300 4.315 4.211 4.385 0.085 13 0 "[ . 1 . 2]" 1
436 1 37 ASP HA 1 38 VAL H 2.500 . 2.900 2.195 2.156 2.247 . 0 0 "[ . 1 . 2]" 1
437 1 37 ASP HB3 1 38 VAL H 2.500 . 3.500 3.467 2.881 3.544 0.044 20 0 "[ . 1 . 2]" 1
438 1 37 ASP HA 1 38 VAL MG1 4.000 . 5.100 5.319 5.278 5.370 0.270 14 0 "[ . 1 . 2]" 1
439 1 37 ASP HA 1 38 VAL HB 4.000 . 5.000 4.588 4.362 4.720 . 0 0 "[ . 1 . 2]" 1
440 1 38 VAL HA 1 38 VAL MG1 2.500 . 3.200 2.244 2.205 2.322 . 0 0 "[ . 1 . 2]" 1
441 1 38 VAL H 1 38 VAL MG1 2.500 . 4.000 3.949 3.863 3.976 . 0 0 "[ . 1 . 2]" 1
442 1 38 VAL H 1 38 VAL HB 2.500 . 2.900 2.888 2.728 2.962 0.062 13 0 "[ . 1 . 2]" 1
443 1 38 VAL HA 1 39 THR HB 4.000 . 5.600 5.687 5.670 5.702 0.102 20 0 "[ . 1 . 2]" 1
444 1 38 VAL HA 1 39 THR H 2.500 . 2.900 2.489 2.463 2.530 . 0 0 "[ . 1 . 2]" 1
445 1 38 VAL HA 1 39 THR HA 4.000 . 6.000 4.540 4.520 4.555 . 0 0 "[ . 1 . 2]" 1
446 1 38 VAL H 1 39 THR H 3.000 . 4.200 4.382 4.370 4.400 0.200 14 0 "[ . 1 . 2]" 1
447 1 38 VAL HB 1 39 THR H 2.500 . 3.800 3.562 3.486 3.749 . 0 0 "[ . 1 . 2]" 1
448 1 38 VAL MG1 1 39 THR H 2.500 . 3.400 2.055 1.931 2.160 . 0 0 "[ . 1 . 2]" 1
449 1 38 VAL HB 1 55 LEU MD1 2.500 . 3.200 2.455 2.259 2.725 . 0 0 "[ . 1 . 2]" 1
450 1 38 VAL HB 1 55 LEU MD2 2.500 . 3.800 3.214 2.963 3.541 . 0 0 "[ . 1 . 2]" 1
451 1 38 VAL H 1 55 LEU MD2 4.000 . 6.500 4.989 4.839 5.136 . 0 0 "[ . 1 . 2]" 1
452 1 39 THR H 1 39 THR HB 2.500 . 3.700 3.830 3.803 3.846 0.146 7 0 "[ . 1 . 2]" 1
453 1 39 THR HA 1 39 THR MG 2.500 . 3.200 2.316 2.305 2.329 . 0 0 "[ . 1 . 2]" 1
454 1 39 THR H 1 39 THR MG 2.500 . 3.400 2.865 2.804 2.919 . 0 0 "[ . 1 . 2]" 1
455 1 39 THR HB 1 40 LEU H 2.500 . 2.900 2.862 2.801 2.903 0.003 16 0 "[ . 1 . 2]" 1
456 1 39 THR HB 1 40 LEU MD1 4.000 . 6.500 6.026 5.960 6.127 . 0 0 "[ . 1 . 2]" 1
457 1 39 THR HA 1 40 LEU MD2 2.500 . 3.200 3.001 2.893 3.208 0.008 19 0 "[ . 1 . 2]" 1
458 1 39 THR HA 1 40 LEU H 2.500 . 2.900 2.224 2.206 2.239 . 0 0 "[ . 1 . 2]" 1
459 1 39 THR MG 1 40 LEU H 2.500 . 3.800 3.903 3.884 3.924 0.124 16 0 "[ . 1 . 2]" 1
460 1 39 THR H 1 40 LEU H 3.000 . 4.400 4.447 4.430 4.473 0.073 5 0 "[ . 1 . 2]" 1
461 1 39 THR HA 1 41 ARG H 4.000 . 6.000 6.162 6.123 6.235 0.235 19 0 "[ . 1 . 2]" 1
462 1 39 THR H 1 41 ARG H 4.000 . 6.300 6.509 6.432 6.711 0.411 19 0 "[ . 1 . 2]" 1
463 1 39 THR HA 1 58 LYS HD3 4.000 . 6.000 6.176 6.095 6.231 0.231 5 0 "[ . 1 . 2]" 1
464 1 39 THR HA 1 58 LYS HE3 4.000 . 6.000 5.690 5.576 5.887 . 0 0 "[ . 1 . 2]" 1
465 1 40 LEU H 1 40 LEU HB3 2.500 . 3.700 3.583 3.523 3.607 . 0 0 "[ . 1 . 2]" 1
466 1 40 LEU H 1 40 LEU MD1 3.000 . 4.000 4.082 4.022 4.138 0.138 6 0 "[ . 1 . 2]" 1
467 1 40 LEU H 1 40 LEU MD2 2.500 . 3.400 2.324 2.258 2.440 . 0 0 "[ . 1 . 2]" 1
468 1 40 LEU H 1 40 LEU HB2 2.500 . 2.900 2.321 2.255 2.353 . 0 0 "[ . 1 . 2]" 1
469 1 40 LEU HA 1 40 LEU MD1 4.000 . 6.500 2.124 2.095 2.144 . 0 0 "[ . 1 . 2]" 1
470 1 40 LEU HA 1 40 LEU MD2 4.000 . 6.500 2.584 2.486 2.682 . 0 0 "[ . 1 . 2]" 1
471 1 40 LEU HB3 1 40 LEU MD2 2.500 . 3.200 3.211 3.202 3.218 0.018 6 0 "[ . 1 . 2]" 1
472 1 40 LEU HB3 1 40 LEU MD1 2.500 . 3.200 2.281 2.255 2.344 . 0 0 "[ . 1 . 2]" 1
473 1 40 LEU HB2 1 40 LEU MD2 2.500 . 3.200 2.320 2.266 2.364 . 0 0 "[ . 1 . 2]" 1
474 1 40 LEU HB2 1 40 LEU MD1 2.500 . 3.200 3.212 3.208 3.222 0.022 19 0 "[ . 1 . 2]" 1
475 1 40 LEU H 1 41 ARG H 3.000 . 4.400 4.475 4.445 4.493 0.093 4 0 "[ . 1 . 2]" 1
476 1 40 LEU HB3 1 41 ARG H 2.500 . 2.900 2.958 2.535 3.115 0.215 20 0 "[ . 1 . 2]" 1
477 1 40 LEU HB2 1 41 ARG H 3.000 . 4.100 4.103 3.828 4.191 0.091 20 0 "[ . 1 . 2]" 1
478 1 40 LEU MD2 1 41 ARG H 3.000 . 4.200 4.315 4.213 4.384 0.184 12 0 "[ . 1 . 2]" 1
479 1 40 LEU MD1 1 41 ARG H 2.500 . 3.400 2.814 2.501 2.938 . 0 0 "[ . 1 . 2]" 1
480 1 40 LEU HA 1 41 ARG H 4.000 . 6.000 2.153 2.118 2.230 . 0 0 "[ . 1 . 2]" 1
481 1 40 LEU HB3 1 42 VAL MG1 4.000 . 5.500 2.349 2.299 2.410 . 0 0 "[ . 1 . 2]" 1
482 1 40 LEU HB2 1 42 VAL MG1 3.000 . 3.800 3.885 3.830 3.941 0.141 16 0 "[ . 1 . 2]" 1
483 1 40 LEU MD1 1 42 VAL HB 4.000 . 5.500 5.236 5.004 5.429 . 0 0 "[ . 1 . 2]" 1
484 1 40 LEU MD2 1 54 LYS H 4.000 . 6.000 6.088 6.029 6.136 0.136 14 0 "[ . 1 . 2]" 1
485 1 40 LEU MD2 1 55 LEU HA 2.500 . 3.200 3.134 3.058 3.311 0.111 19 0 "[ . 1 . 2]" 1
486 1 40 LEU MD1 1 55 LEU HA 2.500 . 3.200 2.260 2.204 2.397 . 0 0 "[ . 1 . 2]" 1
487 1 40 LEU MD2 1 55 LEU H 3.000 . 4.000 4.247 4.220 4.271 0.271 7 0 "[ . 1 . 2]" 1
488 1 40 LEU MD1 1 55 LEU H 2.500 . 3.400 2.574 2.447 2.721 . 0 0 "[ . 1 . 2]" 1
489 1 40 LEU MD1 1 55 LEU HB3 2.500 . 3.200 3.158 3.049 3.222 0.022 19 0 "[ . 1 . 2]" 1
490 1 40 LEU MD2 1 55 LEU HB3 2.500 . 3.200 3.395 3.315 3.506 0.306 10 0 "[ . 1 . 2]" 1
491 1 40 LEU MD1 1 55 LEU MD2 2.500 . 3.700 3.626 3.476 3.706 0.006 10 0 "[ . 1 . 2]" 1
492 1 40 LEU MD2 1 56 VAL H 4.000 . 5.500 5.246 5.198 5.293 . 0 0 "[ . 1 . 2]" 1
493 1 40 LEU MD2 1 57 GLU H 4.000 . 6.500 6.579 6.467 6.626 0.126 12 0 "[ . 1 . 2]" 1
494 1 41 ARG H 1 41 ARG HB3 2.500 . 2.900 2.864 2.653 3.445 0.545 20 1 "[ . 1 . +]" 1
495 1 41 ARG H 1 41 ARG HG3 3.000 . 4.500 4.447 1.969 4.698 0.198 16 0 "[ . 1 . 2]" 1
496 1 41 ARG H 1 41 ARG HD3 4.000 . 5.000 4.443 1.731 4.937 0.069 20 0 "[ . 1 . 2]" 1
497 1 41 ARG HB3 1 41 ARG HD3 2.500 . 3.600 3.464 2.636 3.803 0.203 10 0 "[ . 1 . 2]" 1
498 1 41 ARG HA 1 41 ARG HD3 2.500 . 2.700 2.534 2.280 3.589 0.889 20 1 "[ . 1 . +]" 1
499 1 41 ARG HA 1 41 ARG HG3 2.500 . 2.700 2.808 2.452 3.477 0.777 13 5 "[ . *1 + .* * -]" 1
500 1 41 ARG H 1 42 VAL MG1 4.000 . 5.500 2.867 2.585 3.069 . 0 0 "[ . 1 . 2]" 1
501 1 41 ARG H 1 42 VAL H 3.000 . 4.000 3.977 3.781 4.060 0.060 20 0 "[ . 1 . 2]" 1
502 1 41 ARG HB3 1 42 VAL H 3.000 . 4.100 4.329 4.246 4.373 0.273 10 0 "[ . 1 . 2]" 1
503 1 41 ARG HA 1 42 VAL H 4.000 . 6.000 2.303 2.279 2.324 . 0 0 "[ . 1 . 2]" 1
504 1 41 ARG H 1 46 VAL MG2 4.000 . 6.500 6.183 5.895 6.389 . 0 0 "[ . 1 . 2]" 1
505 1 41 ARG H 1 51 VAL MG1 4.000 . 6.500 6.528 6.343 6.611 0.111 20 0 "[ . 1 . 2]" 1
506 1 41 ARG H 1 58 LYS HD3 2.500 . 3.600 3.723 3.648 3.793 0.193 16 0 "[ . 1 . 2]" 1
507 1 42 VAL HA 1 42 VAL MG1 2.500 . 3.200 2.272 2.247 2.312 . 0 0 "[ . 1 . 2]" 1
508 1 42 VAL H 1 42 VAL MG2 4.000 . 6.500 2.049 2.023 2.113 . 0 0 "[ . 1 . 2]" 1
509 1 42 VAL H 1 42 VAL MG1 2.500 . 3.400 3.108 3.060 3.159 . 0 0 "[ . 1 . 2]" 1
510 1 42 VAL H 1 42 VAL HB 2.500 . 3.700 3.893 3.871 3.908 0.208 20 0 "[ . 1 . 2]" 1
511 1 42 VAL HA 1 43 THR H 2.500 . 2.900 2.638 2.598 2.667 . 0 0 "[ . 1 . 2]" 1
512 1 42 VAL HA 1 43 THR MG 4.000 . 5.500 3.509 3.393 3.719 . 0 0 "[ . 1 . 2]" 1
513 1 42 VAL HB 1 43 THR H 2.500 . 2.900 1.849 1.809 1.909 . 0 0 "[ . 1 . 2]" 1
514 1 42 VAL MG1 1 43 THR H 2.500 . 3.400 3.458 3.410 3.490 0.090 15 0 "[ . 1 . 2]" 1
515 1 42 VAL H 1 43 THR H 4.000 . 5.000 4.385 4.357 4.407 . 0 0 "[ . 1 . 2]" 1
516 1 42 VAL HB 1 44 GLY H 4.000 . 6.300 5.897 5.853 5.941 . 0 0 "[ . 1 . 2]" 1
517 1 42 VAL MG1 1 46 VAL H 4.000 . 5.500 4.641 4.596 4.714 . 0 0 "[ . 1 . 2]" 1
518 1 42 VAL HB 1 46 VAL H 3.000 . 3.500 3.532 3.493 3.581 0.081 8 0 "[ . 1 . 2]" 1
519 1 42 VAL HB 1 46 VAL MG1 2.500 . 3.200 2.208 2.081 2.383 . 0 0 "[ . 1 . 2]" 1
520 1 43 THR H 1 43 THR HB 4.000 . 6.000 3.804 3.748 3.845 . 0 0 "[ . 1 . 2]" 1
521 1 43 THR HA 1 43 THR MG 2.500 . 3.200 2.292 2.215 2.369 . 0 0 "[ . 1 . 2]" 1
522 1 43 THR H 1 43 THR MG 2.500 . 3.400 3.148 3.033 3.336 . 0 0 "[ . 1 . 2]" 1
523 1 43 THR HB 1 44 GLY HA2 4.000 . 6.000 4.647 4.626 4.678 . 0 0 "[ . 1 . 2]" 1
524 1 43 THR HB 1 44 GLY H 2.500 . 2.900 2.124 2.073 2.220 . 0 0 "[ . 1 . 2]" 1
525 1 43 THR HA 1 44 GLY H 2.500 . 2.900 2.543 2.500 2.599 . 0 0 "[ . 1 . 2]" 1
526 1 43 THR MG 1 44 GLY H 2.500 . 3.400 3.465 3.358 3.586 0.186 11 0 "[ . 1 . 2]" 1
527 1 43 THR H 1 44 GLY H 3.000 . 4.400 4.394 4.380 4.412 0.012 19 0 "[ . 1 . 2]" 1
528 1 43 THR H 1 44 GLY HA2 4.000 . 6.000 5.173 5.043 5.288 . 0 0 "[ . 1 . 2]" 1
529 1 43 THR H 1 45 GLU H 4.000 . 6.000 3.291 3.215 3.329 . 0 0 "[ . 1 . 2]" 1
530 1 43 THR HB 1 45 GLU H 2.500 . 2.900 3.087 3.007 3.174 0.274 8 0 "[ . 1 . 2]" 1
531 1 43 THR H 1 45 GLU HG3 4.000 . 6.000 2.819 2.719 2.962 . 0 0 "[ . 1 . 2]" 1
532 1 43 THR H 1 45 GLU HB3 4.000 . 5.000 5.127 5.074 5.152 0.152 8 0 "[ . 1 . 2]" 1
533 1 43 THR H 1 46 VAL H 2.500 . 3.400 3.173 3.116 3.251 . 0 0 "[ . 1 . 2]" 1
534 1 43 THR H 1 46 VAL HA 4.000 . 6.000 5.065 4.971 5.135 . 0 0 "[ . 1 . 2]" 1
535 1 43 THR H 1 46 VAL HB 2.500 . 3.300 3.297 3.245 3.329 0.029 8 0 "[ . 1 . 2]" 1
536 1 43 THR H 1 46 VAL MG2 3.000 . 4.500 4.691 4.668 4.721 0.221 15 0 "[ . 1 . 2]" 1
537 1 43 THR H 1 85 THR MG 4.000 . 6.500 5.844 5.684 6.082 . 0 0 "[ . 1 . 2]" 1
538 1 43 THR H 1 86 LEU MD2 3.000 . 4.900 4.149 3.985 4.481 . 0 0 "[ . 1 . 2]" 1
539 1 44 GLY H 1 45 GLU HG3 3.000 . 4.500 4.615 4.576 4.695 0.195 11 0 "[ . 1 . 2]" 1
540 1 44 GLY HA2 1 45 GLU H 2.500 . 3.400 3.184 3.096 3.254 . 0 0 "[ . 1 . 2]" 1
541 1 44 GLY HA3 1 45 GLU H 2.500 . 3.300 3.375 3.345 3.418 0.118 6 0 "[ . 1 . 2]" 1
542 1 44 GLY H 1 45 GLU H 2.500 . 2.900 2.948 2.880 2.981 0.081 7 0 "[ . 1 . 2]" 1
543 1 44 GLY HA2 1 46 VAL H 4.000 . 5.000 4.031 3.948 4.160 . 0 0 "[ . 1 . 2]" 1
544 1 44 GLY H 1 46 VAL H 4.000 . 5.000 4.796 4.755 4.839 . 0 0 "[ . 1 . 2]" 1
545 1 44 GLY H 1 46 VAL MG1 3.000 . 4.900 4.928 4.880 4.955 0.055 6 0 "[ . 1 . 2]" 1
546 1 44 GLY HA2 1 86 LEU HB3 4.000 . 6.000 4.504 3.315 5.312 . 0 0 "[ . 1 . 2]" 1
547 1 44 GLY HA2 1 86 LEU MD2 4.000 . 6.500 3.060 2.056 3.618 . 0 0 "[ . 1 . 2]" 1
548 1 44 GLY HA3 1 86 LEU MD2 4.000 . 5.500 4.510 3.409 5.030 . 0 0 "[ . 1 . 2]" 1
549 1 44 GLY H 1 86 LEU MD2 3.000 . 4.500 4.598 4.050 4.799 0.299 9 0 "[ . 1 . 2]" 1
550 1 44 GLY H 1 87 ASP H 4.000 . 5.400 5.259 4.854 5.640 0.240 19 0 "[ . 1 . 2]" 1
551 1 44 GLY HA2 1 87 ASP H 2.500 . 2.900 2.554 2.187 2.918 0.018 19 0 "[ . 1 . 2]" 1
552 1 44 GLY H 1 87 ASP HB3 4.000 . 6.000 4.913 4.709 5.054 . 0 0 "[ . 1 . 2]" 1
553 1 45 GLU HA 1 45 GLU HG3 2.500 . 3.600 3.613 3.604 3.626 0.026 20 0 "[ . 1 . 2]" 1
554 1 45 GLU H 1 45 GLU HG3 2.500 . 2.900 2.059 1.999 2.170 . 0 0 "[ . 1 . 2]" 1
555 1 45 GLU H 1 45 GLU HB3 2.500 . 2.900 2.654 2.616 2.710 . 0 0 "[ . 1 . 2]" 1
556 1 45 GLU HA 1 46 VAL H 2.500 . 3.400 3.477 3.465 3.493 0.093 7 0 "[ . 1 . 2]" 1
557 1 45 GLU H 1 46 VAL H 2.500 . 2.900 2.233 2.133 2.310 . 0 0 "[ . 1 . 2]" 1
558 1 45 GLU HB3 1 46 VAL H 2.500 . 3.900 4.073 4.009 4.114 0.214 4 0 "[ . 1 . 2]" 1
559 1 45 GLU HG3 1 46 VAL H 2.500 . 2.900 2.319 2.208 2.402 . 0 0 "[ . 1 . 2]" 1
560 1 45 GLU HG3 1 46 VAL HA 4.000 . 5.000 3.882 3.759 3.971 . 0 0 "[ . 1 . 2]" 1
561 1 45 GLU HG3 1 46 VAL MG1 2.500 . 3.600 3.646 3.593 3.689 0.089 12 0 "[ . 1 . 2]" 1
562 1 45 GLU H 1 46 VAL MG1 2.500 . 3.400 3.449 3.356 3.504 0.104 4 0 "[ . 1 . 2]" 1
563 1 45 GLU HA 1 85 THR HB 4.000 . 5.000 4.714 4.333 4.991 . 0 0 "[ . 1 . 2]" 1
564 1 45 GLU HG3 1 85 THR MG 3.000 . 4.700 4.779 4.625 4.867 0.167 14 0 "[ . 1 . 2]" 1
565 1 45 GLU H 1 86 LEU H 4.000 . 6.000 5.839 5.512 6.017 0.017 8 0 "[ . 1 . 2]" 1
566 1 45 GLU HA 1 87 ASP H 4.000 . 5.400 5.573 5.353 5.821 0.421 8 0 "[ . 1 . 2]" 1
567 1 45 GLU H 1 87 ASP H 4.000 . 6.000 5.300 5.093 5.488 . 0 0 "[ . 1 . 2]" 1
568 1 45 GLU H 1 87 ASP HB3 4.000 . 6.000 5.113 5.000 5.187 . 0 0 "[ . 1 . 2]" 1
569 1 46 VAL HA 1 46 VAL MG1 2.500 . 3.200 3.191 3.170 3.214 0.014 8 0 "[ . 1 . 2]" 1
570 1 46 VAL HA 1 46 VAL MG2 2.500 . 3.200 2.357 2.334 2.405 . 0 0 "[ . 1 . 2]" 1
571 1 46 VAL H 1 46 VAL HB 2.500 . 2.900 2.711 2.637 2.774 . 0 0 "[ . 1 . 2]" 1
572 1 46 VAL H 1 46 VAL MG1 2.500 . 3.400 1.914 1.805 2.038 . 0 0 "[ . 1 . 2]" 1
573 1 46 VAL H 1 46 VAL MG2 2.500 . 3.800 3.790 3.779 3.806 0.006 4 0 "[ . 1 . 2]" 1
574 1 46 VAL HA 1 47 HIS H 2.500 . 2.900 2.168 2.141 2.214 . 0 0 "[ . 1 . 2]" 1
575 1 46 VAL MG2 1 47 HIS H 2.500 . 3.400 2.496 2.385 2.628 . 0 0 "[ . 1 . 2]" 1
576 1 46 VAL HB 1 47 HIS H 3.000 . 4.100 4.119 4.060 4.174 0.074 13 0 "[ . 1 . 2]" 1
577 1 46 VAL H 1 47 HIS H 3.000 . 4.500 4.592 4.549 4.635 0.135 6 0 "[ . 1 . 2]" 1
578 1 46 VAL MG2 1 50 GLY HA3 3.000 . 3.800 2.694 2.581 2.792 . 0 0 "[ . 1 . 2]" 1
579 1 46 VAL MG2 1 50 GLY HA2 4.000 . 5.500 3.856 3.787 3.942 . 0 0 "[ . 1 . 2]" 1
580 1 46 VAL MG2 1 50 GLY H 2.500 . 3.400 3.510 3.467 3.557 0.157 12 0 "[ . 1 . 2]" 1
581 1 46 VAL MG2 1 51 VAL HA 2.500 . 3.200 2.272 2.168 2.523 . 0 0 "[ . 1 . 2]" 1
582 1 46 VAL H 1 85 THR MG 4.000 . 6.500 3.304 3.219 3.389 . 0 0 "[ . 1 . 2]" 1
583 1 46 VAL H 1 85 THR HB 4.000 . 6.000 5.752 5.330 5.932 . 0 0 "[ . 1 . 2]" 1
584 1 46 VAL H 1 86 LEU MD2 2.500 . 3.400 3.488 2.981 3.800 0.400 9 0 "[ . 1 . 2]" 1
585 1 46 VAL H 1 86 LEU H 4.000 . 5.000 4.973 4.598 5.172 0.172 8 0 "[ . 1 . 2]" 1
586 1 46 VAL H 1 87 ASP HB3 4.000 . 6.000 6.030 5.914 6.086 0.086 5 0 "[ . 1 . 2]" 1
587 1 46 VAL H 1 87 ASP H 4.000 . 6.000 5.546 5.335 5.712 . 0 0 "[ . 1 . 2]" 1
588 1 46 VAL MG2 1 87 ASP H 4.000 . 6.900 7.057 6.915 7.183 0.283 11 0 "[ . 1 . 2]" 1
589 1 46 VAL MG1 1 85 THR H 4.000 . 6.800 6.908 6.753 6.988 0.188 11 0 "[ . 1 . 2]" 1
590 1 47 HIS H 1 47 HIS HB3 2.500 . 3.700 3.561 3.543 3.580 . 0 0 "[ . 1 . 2]" 1
591 1 47 HIS H 1 47 HIS HB2 2.500 . 2.900 2.285 2.259 2.320 . 0 0 "[ . 1 . 2]" 1
592 1 47 HIS HA 1 48 ILE HA 4.000 . 6.000 4.412 4.390 4.423 . 0 0 "[ . 1 . 2]" 1
593 1 47 HIS HB3 1 48 ILE HA 4.000 . 6.000 4.886 4.859 4.918 . 0 0 "[ . 1 . 2]" 1
594 1 47 HIS HB2 1 48 ILE H 3.000 . 4.100 4.128 4.072 4.159 0.059 1 0 "[ . 1 . 2]" 1
595 1 47 HIS HB3 1 48 ILE H 2.500 . 2.900 2.970 2.902 3.034 0.134 6 0 "[ . 1 . 2]" 1
596 1 47 HIS HA 1 48 ILE H 2.500 . 2.900 2.321 2.300 2.340 . 0 0 "[ . 1 . 2]" 1
597 1 47 HIS H 1 48 ILE H 4.000 . 5.000 4.674 4.657 4.692 . 0 0 "[ . 1 . 2]" 1
598 1 47 HIS H 1 48 ILE HA 4.000 . 5.600 5.585 5.539 5.638 0.038 8 0 "[ . 1 . 2]" 1
599 1 47 HIS HA 1 49 GLY H 4.000 . 6.000 4.237 4.133 4.377 . 0 0 "[ . 1 . 2]" 1
600 1 47 HIS HB3 1 49 GLY H 4.000 . 5.000 2.833 2.755 2.947 . 0 0 "[ . 1 . 2]" 1
601 1 47 HIS H 1 50 GLY H 4.000 . 5.000 4.022 3.935 4.083 . 0 0 "[ . 1 . 2]" 1
602 1 47 HIS H 1 50 GLY HA2 4.000 . 5.000 4.728 4.510 4.858 . 0 0 "[ . 1 . 2]" 1
603 1 47 HIS HA 1 50 GLY H 4.000 . 6.000 4.047 4.012 4.095 . 0 0 "[ . 1 . 2]" 1
604 1 47 HIS HB2 1 50 GLY H 2.500 . 2.900 2.944 2.917 2.983 0.083 16 0 "[ . 1 . 2]" 1
605 1 47 HIS HB3 1 50 GLY H 2.500 . 2.900 2.949 2.898 3.074 0.174 13 0 "[ . 1 . 2]" 1
606 1 47 HIS H 1 51 VAL HB 4.000 . 6.000 6.099 5.931 6.243 0.243 19 0 "[ . 1 . 2]" 1
607 1 47 HIS H 1 51 VAL MG1 4.000 . 6.600 6.791 6.699 6.920 0.320 16 0 "[ . 1 . 2]" 1
608 1 47 HIS H 1 51 VAL H 4.000 . 6.000 4.445 4.363 4.566 . 0 0 "[ . 1 . 2]" 1
609 1 47 HIS HA 1 85 THR HA 4.000 . 6.000 3.127 2.664 3.372 . 0 0 "[ . 1 . 2]" 1
610 1 47 HIS HA 1 85 THR MG 2.500 . 3.200 2.264 2.237 2.324 . 0 0 "[ . 1 . 2]" 1
611 1 47 HIS HB2 1 85 THR MG 4.000 . 6.500 4.744 4.635 4.803 . 0 0 "[ . 1 . 2]" 1
612 1 47 HIS HA 1 85 THR H 4.000 . 5.000 4.822 4.517 5.045 0.045 6 0 "[ . 1 . 2]" 1
613 1 47 HIS HA 1 86 LEU H 3.000 . 4.800 4.688 4.339 4.849 0.049 16 0 "[ . 1 . 2]" 1
614 1 48 ILE HA 1 48 ILE MG 2.500 . 3.200 2.344 2.314 2.370 . 0 0 "[ . 1 . 2]" 1
615 1 48 ILE HA 1 48 ILE MD 2.500 . 3.800 3.852 3.832 3.870 0.070 20 0 "[ . 1 . 2]" 1
616 1 48 ILE HA 1 48 ILE HG12 4.000 . 5.000 2.594 2.554 2.647 . 0 0 "[ . 1 . 2]" 1
617 1 48 ILE HA 1 48 ILE HG13 4.000 . 5.000 3.153 3.100 3.199 . 0 0 "[ . 1 . 2]" 1
618 1 48 ILE H 1 48 ILE HG12 2.500 . 2.900 3.034 2.988 3.091 0.191 20 0 "[ . 1 . 2]" 1
619 1 48 ILE H 1 48 ILE MD 2.500 . 3.400 3.466 3.374 3.527 0.127 17 0 "[ . 1 . 2]" 1
620 1 48 ILE H 1 48 ILE MG 2.500 . 3.800 3.773 3.762 3.790 . 0 0 "[ . 1 . 2]" 1
621 1 48 ILE H 1 48 ILE HG13 2.500 . 2.900 1.807 1.777 1.849 0.023 20 0 "[ . 1 . 2]" 1
622 1 48 ILE H 1 48 ILE HB 2.500 . 2.900 2.700 2.670 2.737 . 0 0 "[ . 1 . 2]" 1
623 1 48 ILE HB 1 48 ILE MD 2.500 . 3.200 2.389 2.340 2.423 . 0 0 "[ . 1 . 2]" 1
624 1 48 ILE HA 1 49 GLY HA3 4.000 . 6.000 5.363 5.354 5.378 . 0 0 "[ . 1 . 2]" 1
625 1 48 ILE H 1 49 GLY H 3.000 . 3.500 2.671 2.607 2.778 . 0 0 "[ . 1 . 2]" 1
626 1 48 ILE HB 1 49 GLY H 2.500 . 2.900 2.247 2.136 2.348 . 0 0 "[ . 1 . 2]" 1
627 1 48 ILE HA 1 49 GLY H 3.000 . 3.500 3.536 3.523 3.567 0.067 13 0 "[ . 1 . 2]" 1
628 1 48 ILE HA 1 50 GLY H 2.500 . 3.400 3.309 3.273 3.358 . 0 0 "[ . 1 . 2]" 1
629 1 48 ILE H 1 50 GLY H 4.000 . 6.000 3.536 3.489 3.583 . 0 0 "[ . 1 . 2]" 1
630 1 48 ILE HA 1 51 VAL HA 4.000 . 6.000 4.832 4.699 4.975 . 0 0 "[ . 1 . 2]" 1
631 1 48 ILE HA 1 51 VAL HB 2.500 . 2.700 2.301 2.262 2.415 . 0 0 "[ . 1 . 2]" 1
632 1 48 ILE HA 1 51 VAL H 2.500 . 2.900 2.861 2.805 2.915 0.015 20 0 "[ . 1 . 2]" 1
633 1 48 ILE H 1 51 VAL HB 4.000 . 6.000 4.921 4.868 5.023 . 0 0 "[ . 1 . 2]" 1
634 1 48 ILE H 1 51 VAL H 4.000 . 6.000 4.356 4.315 4.443 . 0 0 "[ . 1 . 2]" 1
635 1 48 ILE MG 1 51 VAL H 3.000 . 4.600 4.148 4.100 4.204 . 0 0 "[ . 1 . 2]" 1
636 1 48 ILE HG13 1 51 VAL H 4.000 . 5.500 5.539 5.512 5.592 0.092 16 0 "[ . 1 . 2]" 1
637 1 48 ILE MD 1 51 VAL H 4.000 . 5.900 6.075 6.038 6.116 0.216 16 0 "[ . 1 . 2]" 1
638 1 48 ILE HB 1 51 VAL H 4.000 . 6.000 4.995 4.946 5.053 . 0 0 "[ . 1 . 2]" 1
639 1 48 ILE HA 1 79 LEU MD2 4.000 . 6.500 6.157 6.055 6.323 . 0 0 "[ . 1 . 2]" 1
640 1 48 ILE MD 1 79 LEU H 4.000 . 5.500 5.411 5.250 5.536 0.036 7 0 "[ . 1 . 2]" 1
641 1 48 ILE MG 1 79 LEU HG 3.000 . 3.800 3.963 3.905 4.032 0.232 7 0 "[ . 1 . 2]" 1
642 1 48 ILE MD 1 80 LEU H 4.000 . 6.500 3.577 3.212 3.790 . 0 0 "[ . 1 . 2]" 1
643 1 48 ILE MG 1 81 LYS H 4.000 . 5.500 4.524 4.282 4.830 . 0 0 "[ . 1 . 2]" 1
644 1 48 ILE H 1 82 THR HB 4.000 . 6.000 3.866 3.597 5.225 . 0 0 "[ . 1 . 2]" 1
645 1 48 ILE HA 1 82 THR HA 4.000 . 6.000 4.444 4.311 4.582 . 0 0 "[ . 1 . 2]" 1
646 1 48 ILE H 1 82 THR HA 4.000 . 5.000 2.308 2.134 3.000 . 0 0 "[ . 1 . 2]" 1
647 1 48 ILE MG 1 82 THR HA 4.000 . 6.500 4.066 3.888 4.162 . 0 0 "[ . 1 . 2]" 1
648 1 48 ILE MG 1 82 THR H 4.000 . 5.500 5.463 5.392 5.553 0.053 13 0 "[ . 1 . 2]" 1
649 1 48 ILE MD 1 82 THR HA 2.500 . 3.200 3.335 3.236 3.520 0.320 13 0 "[ . 1 . 2]" 1
650 1 48 ILE MD 1 82 THR HB 4.000 . 5.500 5.282 5.181 5.507 0.007 13 0 "[ . 1 . 2]" 1
651 1 48 ILE H 1 84 TRP H 4.000 . 5.000 4.695 4.439 5.261 0.261 18 0 "[ . 1 . 2]" 1
652 1 48 ILE HG12 1 84 TRP H 4.000 . 6.000 5.249 4.997 6.044 0.044 13 0 "[ . 1 . 2]" 1
653 1 48 ILE H 1 85 THR HA 4.000 . 6.000 2.947 2.734 3.138 . 0 0 "[ . 1 . 2]" 1
654 1 48 ILE HG13 1 85 THR H 3.000 . 4.000 4.108 4.027 4.262 0.262 13 0 "[ . 1 . 2]" 1
655 1 48 ILE MD 1 89 TYR HB2 4.000 . 5.500 4.495 4.114 5.030 . 0 0 "[ . 1 . 2]" 1
656 1 49 GLY H 1 50 GLY H 2.500 . 2.900 2.637 2.594 2.683 . 0 0 "[ . 1 . 2]" 1
657 1 49 GLY HA3 1 50 GLY H 2.500 . 3.400 3.269 3.249 3.284 . 0 0 "[ . 1 . 2]" 1
658 1 49 GLY H 1 51 VAL H 4.000 . 5.000 4.091 4.013 4.174 . 0 0 "[ . 1 . 2]" 1
659 1 49 GLY HA3 1 52 MET H 4.000 . 5.100 5.122 5.015 5.204 0.104 19 0 "[ . 1 . 2]" 1
660 1 49 GLY H 1 52 MET H 4.000 . 6.000 5.191 5.136 5.247 . 0 0 "[ . 1 . 2]" 1
661 1 49 GLY H 1 81 LYS HE3 4.000 . 5.500 5.670 5.620 5.740 0.240 17 0 "[ . 1 . 2]" 1
662 1 49 GLY HA3 1 82 THR HB 2.500 . 2.700 2.848 2.649 2.934 0.234 10 0 "[ . 1 . 2]" 1
663 1 49 GLY H 1 82 THR HB 2.500 . 2.900 2.453 2.315 3.090 0.190 13 0 "[ . 1 . 2]" 1
664 1 49 GLY H 1 82 THR HA 4.000 . 5.000 2.135 1.709 2.309 0.091 13 0 "[ . 1 . 2]" 1
665 1 49 GLY H 1 82 THR H 4.000 . 6.000 4.089 3.984 4.429 . 0 0 "[ . 1 . 2]" 1
666 1 49 GLY H 1 82 THR MG 2.500 . 3.800 3.889 3.853 3.998 0.198 13 0 "[ . 1 . 2]" 1
667 1 50 GLY HA2 1 51 VAL H 2.500 . 3.500 3.477 3.432 3.515 0.015 3 0 "[ . 1 . 2]" 1
668 1 50 GLY H 1 51 VAL H 2.500 . 2.900 1.891 1.804 1.991 . 0 0 "[ . 1 . 2]" 1
669 1 50 GLY HA3 1 51 VAL H 2.500 . 2.900 2.941 2.907 2.977 0.077 19 0 "[ . 1 . 2]" 1
670 1 50 GLY H 1 51 VAL HB 2.500 . 3.500 3.665 3.628 3.712 0.212 3 0 "[ . 1 . 2]" 1
671 1 50 GLY H 1 51 VAL MG1 3.000 . 5.000 4.984 4.896 5.044 0.044 13 0 "[ . 1 . 2]" 1
672 1 50 GLY H 1 52 MET H 2.500 . 3.400 3.579 3.533 3.647 0.247 12 0 "[ . 1 . 2]" 1
673 1 50 GLY HA2 1 53 LEU H 2.500 . 2.900 2.965 2.875 3.031 0.131 16 0 "[ . 1 . 2]" 1
674 1 50 GLY HA2 1 53 LEU HG 4.000 . 6.000 2.757 2.474 3.114 . 0 0 "[ . 1 . 2]" 1
675 1 50 GLY HA3 1 53 LEU HG 4.000 . 5.000 4.492 4.217 4.817 . 0 0 "[ . 1 . 2]" 1
676 1 50 GLY HA3 1 53 LEU H 3.000 . 4.400 4.344 4.274 4.409 0.009 16 0 "[ . 1 . 2]" 1
677 1 50 GLY H 1 53 LEU H 4.000 . 5.000 4.510 4.383 4.604 . 0 0 "[ . 1 . 2]" 1
678 1 50 GLY H 1 53 LEU HG 4.000 . 5.000 4.798 4.710 4.879 . 0 0 "[ . 1 . 2]" 1
679 1 50 GLY H 1 54 LYS H 4.000 . 6.000 5.530 5.250 5.763 . 0 0 "[ . 1 . 2]" 1
680 1 50 GLY H 1 82 THR HB 4.000 . 6.000 4.157 4.055 5.129 . 0 0 "[ . 1 . 2]" 1
681 1 51 VAL HA 1 51 VAL MG2 2.500 . 3.200 2.193 2.175 2.208 . 0 0 "[ . 1 . 2]" 1
682 1 51 VAL HA 1 51 VAL MG1 2.500 . 3.200 2.691 2.576 2.819 . 0 0 "[ . 1 . 2]" 1
683 1 51 VAL H 1 51 VAL HB 2.500 . 2.900 2.119 2.060 2.182 . 0 0 "[ . 1 . 2]" 1
684 1 51 VAL H 1 51 VAL MG1 2.500 . 3.400 3.584 3.489 3.648 0.248 7 0 "[ . 1 . 2]" 1
685 1 51 VAL H 1 51 VAL MG2 2.500 . 3.400 2.711 2.479 2.987 . 0 0 "[ . 1 . 2]" 1
686 1 51 VAL MG2 1 52 MET H 3.000 . 4.200 4.085 3.969 4.202 0.002 4 0 "[ . 1 . 2]" 1
687 1 51 VAL HB 1 52 MET H 2.500 . 3.500 2.749 2.563 2.948 . 0 0 "[ . 1 . 2]" 1
688 1 51 VAL HA 1 52 MET H 3.000 . 3.500 3.531 3.507 3.551 0.051 12 0 "[ . 1 . 2]" 1
689 1 51 VAL H 1 52 MET H 2.500 . 2.900 2.575 2.502 2.627 . 0 0 "[ . 1 . 2]" 1
690 1 51 VAL H 1 53 LEU HG 4.000 . 5.000 5.084 5.028 5.138 0.138 19 0 "[ . 1 . 2]" 1
691 1 51 VAL HA 1 53 LEU H 4.000 . 5.000 4.563 4.414 4.736 . 0 0 "[ . 1 . 2]" 1
692 1 51 VAL HA 1 54 LYS HB2 2.500 . 3.500 3.551 3.495 3.603 0.103 19 0 "[ . 1 . 2]" 1
693 1 51 VAL HA 1 54 LYS H 4.000 . 5.000 3.757 3.622 3.923 . 0 0 "[ . 1 . 2]" 1
694 1 51 VAL H 1 54 LYS H 4.000 . 5.000 4.673 4.526 4.800 . 0 0 "[ . 1 . 2]" 1
695 1 51 VAL HB 1 54 LYS H 4.000 . 5.800 5.858 5.789 5.910 0.110 20 0 "[ . 1 . 2]" 1
696 1 51 VAL MG1 1 55 LEU MD2 2.500 . 3.700 3.605 3.364 3.810 0.110 19 0 "[ . 1 . 2]" 1
697 1 51 VAL MG1 1 97 LEU H 4.000 . 6.400 6.558 6.468 6.636 0.236 3 0 "[ . 1 . 2]" 1
698 1 52 MET HA 1 52 MET ME 4.000 . 5.500 4.340 3.939 4.663 . 0 0 "[ . 1 . 2]" 1
699 1 52 MET HA 1 52 MET HG3 3.000 . 3.700 3.686 3.628 4.138 0.438 19 0 "[ . 1 . 2]" 1
700 1 52 MET H 1 52 MET ME 3.000 . 4.000 3.836 3.708 4.006 0.006 19 0 "[ . 1 . 2]" 1
701 1 52 MET H 1 52 MET HB3 2.500 . 3.300 3.350 2.984 3.424 0.124 3 0 "[ . 1 . 2]" 1
702 1 52 MET H 1 52 MET HG3 2.500 . 2.900 1.850 1.752 3.245 0.345 19 0 "[ . 1 . 2]" 1
703 1 52 MET HB3 1 52 MET ME 2.500 . 3.200 2.772 2.275 3.281 0.081 12 0 "[ . 1 . 2]" 1
704 1 52 MET HA 1 53 LEU H 2.500 . 3.500 3.560 3.548 3.567 0.067 17 0 "[ . 1 . 2]" 1
705 1 52 MET HG3 1 53 LEU H 2.500 . 2.900 2.716 2.334 3.037 0.137 19 0 "[ . 1 . 2]" 1
706 1 52 MET HB3 1 53 LEU H 3.000 . 4.200 4.074 3.922 4.204 0.004 9 0 "[ . 1 . 2]" 1
707 1 52 MET H 1 53 LEU H 2.500 . 2.900 2.653 2.513 2.755 . 0 0 "[ . 1 . 2]" 1
708 1 52 MET H 1 53 LEU HG 3.000 . 4.000 4.066 4.013 4.109 0.109 7 0 "[ . 1 . 2]" 1
709 1 52 MET HA 1 55 LEU MD1 4.000 . 5.500 4.965 4.890 5.044 . 0 0 "[ . 1 . 2]" 1
710 1 52 MET HA 1 55 LEU MD2 4.000 . 5.500 3.022 2.780 3.178 . 0 0 "[ . 1 . 2]" 1
711 1 52 MET HA 1 55 LEU HB3 2.500 . 2.700 2.319 2.274 2.408 . 0 0 "[ . 1 . 2]" 1
712 1 52 MET H 1 55 LEU H 3.000 . 4.500 4.539 4.480 4.603 0.103 20 0 "[ . 1 . 2]" 1
713 1 52 MET HB3 1 55 LEU H 4.000 . 5.300 5.475 5.436 5.526 0.226 9 0 "[ . 1 . 2]" 1
714 1 52 MET HA 1 55 LEU H 2.500 . 3.400 3.475 3.396 3.519 0.119 14 0 "[ . 1 . 2]" 1
715 1 52 MET HG3 1 55 LEU H 4.000 . 6.000 5.681 5.418 6.137 0.137 19 0 "[ . 1 . 2]" 1
716 1 52 MET H 1 55 LEU HB3 4.000 . 6.000 4.668 4.577 4.733 . 0 0 "[ . 1 . 2]" 1
717 1 52 MET H 1 55 LEU MD1 4.000 . 6.900 6.967 6.910 7.018 0.118 7 0 "[ . 1 . 2]" 1
718 1 52 MET HA 1 56 VAL MG2 2.500 . 3.200 3.404 3.341 3.528 0.328 9 0 "[ . 1 . 2]" 1
719 1 52 MET HA 1 56 VAL H 4.000 . 6.000 3.519 3.448 3.615 . 0 0 "[ . 1 . 2]" 1
720 1 52 MET ME 1 70 LEU H 2.500 . 3.400 3.337 3.175 3.508 0.108 9 0 "[ . 1 . 2]" 1
721 1 52 MET H 1 70 LEU MD2 2.500 . 3.400 3.608 3.441 3.686 0.286 20 0 "[ . 1 . 2]" 1
722 1 52 MET HG3 1 70 LEU MD2 2.500 . 3.800 3.881 3.844 4.024 0.224 19 0 "[ . 1 . 2]" 1
723 1 53 LEU HA 1 53 LEU HG 2.500 . 3.100 3.085 2.987 3.125 0.025 14 0 "[ . 1 . 2]" 1
724 1 53 LEU HA 1 53 LEU MD1 2.500 . 3.900 3.879 3.860 3.895 . 0 0 "[ . 1 . 2]" 1
725 1 53 LEU HA 1 53 LEU MD2 2.500 . 3.200 2.192 2.173 2.209 . 0 0 "[ . 1 . 2]" 1
726 1 53 LEU H 1 53 LEU HG 4.000 . 6.000 1.879 1.803 2.044 . 0 0 "[ . 1 . 2]" 1
727 1 53 LEU H 1 53 LEU HB3 4.000 . 6.000 3.628 3.612 3.639 . 0 0 "[ . 1 . 2]" 1
728 1 53 LEU H 1 53 LEU MD1 2.500 . 3.400 3.442 3.411 3.471 0.071 3 0 "[ . 1 . 2]" 1
729 1 53 LEU H 1 53 LEU MD2 2.500 . 3.400 3.105 2.991 3.336 . 0 0 "[ . 1 . 2]" 1
730 1 53 LEU HB3 1 53 LEU MD1 2.500 . 3.200 2.482 2.464 2.503 . 0 0 "[ . 1 . 2]" 1
731 1 53 LEU HB3 1 53 LEU MD2 2.500 . 3.200 2.253 2.236 2.261 . 0 0 "[ . 1 . 2]" 1
732 1 53 LEU MD1 1 54 LYS H 2.500 . 4.000 4.046 4.007 4.110 0.110 9 0 "[ . 1 . 2]" 1
733 1 53 LEU H 1 54 LYS H 2.500 . 2.900 2.799 2.686 2.852 . 0 0 "[ . 1 . 2]" 1
734 1 53 LEU HB3 1 54 LYS H 2.500 . 3.400 3.453 3.421 3.479 0.079 14 0 "[ . 1 . 2]" 1
735 1 53 LEU HA 1 54 LYS H 2.500 . 3.500 3.571 3.562 3.581 0.081 16 0 "[ . 1 . 2]" 1
736 1 53 LEU H 1 55 LEU H 2.500 . 3.500 3.708 3.652 3.749 0.249 14 0 "[ . 1 . 2]" 1
737 1 53 LEU H 1 55 LEU MD2 4.000 . 6.500 5.983 5.800 6.110 . 0 0 "[ . 1 . 2]" 1
738 1 53 LEU H 1 55 LEU MD1 4.000 . 6.900 6.917 6.856 6.954 0.054 7 0 "[ . 1 . 2]" 1
739 1 53 LEU HA 1 56 VAL HA 4.000 . 6.000 4.992 4.868 5.048 . 0 0 "[ . 1 . 2]" 1
740 1 53 LEU HA 1 56 VAL H 2.500 . 2.900 3.077 2.960 3.146 0.246 3 0 "[ . 1 . 2]" 1
741 1 53 LEU H 1 56 VAL H 3.000 . 4.100 4.310 4.273 4.328 0.228 14 0 "[ . 1 . 2]" 1
742 1 53 LEU HA 1 57 GLU H 2.500 . 2.900 3.078 3.021 3.205 0.305 19 0 "[ . 1 . 2]" 1
743 1 54 LYS HA 1 54 LYS HD3 2.500 . 2.700 2.266 2.243 2.288 . 0 0 "[ . 1 . 2]" 1
744 1 54 LYS HA 1 54 LYS HG3 2.500 . 2.700 2.609 2.576 2.641 . 0 0 "[ . 1 . 2]" 1
745 1 54 LYS HA 1 54 LYS HE3 4.000 . 6.000 4.326 4.254 4.383 . 0 0 "[ . 1 . 2]" 1
746 1 54 LYS H 1 54 LYS HB2 4.000 . 6.000 2.349 2.312 2.363 . 0 0 "[ . 1 . 2]" 1
747 1 54 LYS H 1 54 LYS HE3 4.000 . 6.000 4.802 4.692 4.876 . 0 0 "[ . 1 . 2]" 1
748 1 54 LYS H 1 54 LYS HB3 2.500 . 2.900 2.754 2.734 2.781 . 0 0 "[ . 1 . 2]" 1
749 1 54 LYS H 1 54 LYS HD3 2.500 . 3.900 4.066 4.039 4.184 0.284 17 0 "[ . 1 . 2]" 1
750 1 54 LYS H 1 54 LYS HG3 3.000 . 4.400 4.453 4.436 4.460 0.060 9 0 "[ . 1 . 2]" 1
751 1 54 LYS HE3 1 54 LYS HG3 2.500 . 3.600 3.594 3.576 3.617 0.017 3 0 "[ . 1 . 2]" 1
752 1 54 LYS HB3 1 54 LYS HE3 2.500 . 3.400 3.460 3.418 3.487 0.087 15 0 "[ . 1 . 2]" 1
753 1 54 LYS HB2 1 54 LYS HE3 4.000 . 6.000 2.488 2.392 2.542 . 0 0 "[ . 1 . 2]" 1
754 1 54 LYS HB2 1 54 LYS HD3 4.000 . 6.000 2.451 2.410 2.644 . 0 0 "[ . 1 . 2]" 1
755 1 54 LYS HB3 1 54 LYS HD3 4.000 . 6.000 3.613 3.597 3.703 . 0 0 "[ . 1 . 2]" 1
756 1 54 LYS H 1 55 LEU HA 4.000 . 5.500 5.391 5.370 5.409 . 0 0 "[ . 1 . 2]" 1
757 1 54 LYS HG3 1 55 LEU HA 3.000 . 4.200 4.241 4.207 4.298 0.098 8 0 "[ . 1 . 2]" 1
758 1 54 LYS HB2 1 55 LEU H 2.500 . 3.700 3.882 3.848 3.915 0.215 3 0 "[ . 1 . 2]" 1
759 1 54 LYS HB3 1 55 LEU H 2.500 . 2.900 2.860 2.813 2.900 0.000 3 0 "[ . 1 . 2]" 1
760 1 54 LYS HG3 1 55 LEU H 3.000 . 4.000 4.241 4.212 4.273 0.273 8 0 "[ . 1 . 2]" 1
761 1 54 LYS H 1 55 LEU H 2.500 . 2.900 2.725 2.709 2.750 . 0 0 "[ . 1 . 2]" 1
762 1 54 LYS HA 1 55 LEU H 2.500 . 3.600 3.470 3.457 3.482 . 0 0 "[ . 1 . 2]" 1
763 1 54 LYS HA 1 57 GLU H 2.500 . 3.800 3.849 3.789 3.882 0.082 7 0 "[ . 1 . 2]" 1
764 1 55 LEU HA 1 55 LEU MD2 2.500 . 3.900 3.760 3.727 3.819 . 0 0 "[ . 1 . 2]" 1
765 1 55 LEU HA 1 55 LEU MD1 2.500 . 3.200 2.136 2.089 2.203 . 0 0 "[ . 1 . 2]" 1
766 1 55 LEU HA 1 55 LEU HG 2.500 . 3.400 3.385 3.347 3.424 0.024 14 0 "[ . 1 . 2]" 1
767 1 55 LEU H 1 55 LEU HG 3.000 . 4.200 4.228 4.176 4.270 0.070 11 0 "[ . 1 . 2]" 1
768 1 55 LEU H 1 55 LEU MD2 3.000 . 4.200 4.284 4.213 4.322 0.122 11 0 "[ . 1 . 2]" 1
769 1 55 LEU H 1 55 LEU HB3 2.500 . 2.900 2.288 2.232 2.338 . 0 0 "[ . 1 . 2]" 1
770 1 55 LEU H 1 55 LEU MD1 3.000 . 4.100 4.181 4.163 4.227 0.127 18 0 "[ . 1 . 2]" 1
771 1 55 LEU HB3 1 55 LEU MD2 2.500 . 3.200 2.389 2.313 2.479 . 0 0 "[ . 1 . 2]" 1
772 1 55 LEU H 1 56 VAL HA 4.000 . 6.000 5.178 5.130 5.193 . 0 0 "[ . 1 . 2]" 1
773 1 55 LEU HB3 1 56 VAL HA 4.000 . 5.000 4.544 4.486 4.617 . 0 0 "[ . 1 . 2]" 1
774 1 55 LEU HA 1 56 VAL H 3.000 . 3.500 3.598 3.590 3.608 0.108 14 0 "[ . 1 . 2]" 1
775 1 55 LEU HA 1 56 VAL MG2 3.000 . 4.800 4.996 4.932 5.112 0.312 16 0 "[ . 1 . 2]" 1
776 1 55 LEU H 1 56 VAL H 2.500 . 2.900 2.547 2.499 2.574 . 0 0 "[ . 1 . 2]" 1
777 1 55 LEU HB3 1 56 VAL H 2.500 . 2.900 2.401 2.353 2.470 . 0 0 "[ . 1 . 2]" 1
778 1 55 LEU MD1 1 56 VAL H 4.000 . 6.500 3.890 3.858 3.922 . 0 0 "[ . 1 . 2]" 1
779 1 55 LEU MD2 1 56 VAL H 4.000 . 5.500 4.029 3.947 4.125 . 0 0 "[ . 1 . 2]" 1
780 1 55 LEU HG 1 56 VAL H 2.500 . 2.900 2.974 2.920 3.056 0.156 12 0 "[ . 1 . 2]" 1
781 1 55 LEU HB3 1 57 GLU H 4.000 . 6.000 4.678 4.531 4.757 . 0 0 "[ . 1 . 2]" 1
782 1 55 LEU MD1 1 57 GLU H 4.000 . 6.500 4.907 4.704 4.993 . 0 0 "[ . 1 . 2]" 1
783 1 55 LEU MD2 1 57 GLU H 4.000 . 6.500 6.014 5.879 6.112 . 0 0 "[ . 1 . 2]" 1
784 1 55 LEU HG 1 57 GLU H 4.000 . 6.000 5.075 4.917 5.182 . 0 0 "[ . 1 . 2]" 1
785 1 55 LEU HA 1 57 GLU H 4.000 . 6.000 4.268 4.015 4.361 . 0 0 "[ . 1 . 2]" 1
786 1 55 LEU HA 1 58 LYS H 3.000 . 3.500 3.104 2.959 3.210 . 0 0 "[ . 1 . 2]" 1
787 1 55 LEU HA 1 58 LYS HB3 2.500 . 3.700 3.846 3.804 3.875 0.175 12 0 "[ . 1 . 2]" 1
788 1 55 LEU H 1 58 LYS H 3.000 . 4.100 4.250 4.207 4.287 0.187 12 0 "[ . 1 . 2]" 1
789 1 55 LEU MD1 1 58 LYS H 4.000 . 6.500 3.907 3.671 4.043 . 0 0 "[ . 1 . 2]" 1
790 1 55 LEU MD2 1 58 LYS H 4.000 . 6.100 5.972 5.806 6.054 . 0 0 "[ . 1 . 2]" 1
791 1 55 LEU MD1 1 59 LEU H 4.000 . 6.500 2.968 2.817 3.244 . 0 0 "[ . 1 . 2]" 1
792 1 55 LEU MD2 1 59 LEU H 4.000 . 5.300 5.522 5.386 5.660 0.360 18 0 "[ . 1 . 2]" 1
793 1 55 LEU HA 1 59 LEU H 4.000 . 6.000 3.992 3.902 4.183 . 0 0 "[ . 1 . 2]" 1
794 1 55 LEU H 1 59 LEU H 4.000 . 6.000 5.996 5.900 6.159 0.159 18 0 "[ . 1 . 2]" 1
795 1 55 LEU MD2 1 70 LEU H 4.000 . 6.500 6.590 6.316 6.665 0.165 9 0 "[ . 1 . 2]" 1
796 1 55 LEU MD2 1 97 LEU MD2 4.000 . 6.500 6.660 6.571 6.713 0.213 20 0 "[ . 1 . 2]" 1
797 1 55 LEU MD2 1 99 PHE H 4.000 . 6.500 5.630 5.509 5.849 . 0 0 "[ . 1 . 2]" 1
798 1 55 LEU MD2 1 99 PHE HB2 4.000 . 5.500 3.313 2.925 3.973 . 0 0 "[ . 1 . 2]" 1
799 1 55 LEU MD2 1 100 THR H 4.000 . 6.500 5.461 5.149 5.917 . 0 0 "[ . 1 . 2]" 1
800 1 56 VAL HA 1 56 VAL MG2 2.500 . 3.200 2.403 2.252 2.487 . 0 0 "[ . 1 . 2]" 1
801 1 56 VAL H 1 56 VAL HB 2.500 . 2.900 2.558 2.429 2.692 . 0 0 "[ . 1 . 2]" 1
802 1 56 VAL H 1 56 VAL MG2 2.500 . 3.400 2.082 1.985 2.260 . 0 0 "[ . 1 . 2]" 1
803 1 56 VAL HA 1 57 GLU HA 4.000 . 6.000 4.809 4.786 4.839 . 0 0 "[ . 1 . 2]" 1
804 1 56 VAL HA 1 57 GLU H 3.000 . 3.500 3.521 3.493 3.528 0.028 8 0 "[ . 1 . 2]" 1
805 1 56 VAL HB 1 57 GLU H 2.500 . 2.900 2.620 2.470 2.787 . 0 0 "[ . 1 . 2]" 1
806 1 56 VAL H 1 57 GLU H 4.000 . 6.000 2.649 2.610 2.687 . 0 0 "[ . 1 . 2]" 1
807 1 56 VAL MG2 1 57 GLU H 2.500 . 3.800 3.824 3.686 3.896 0.096 12 0 "[ . 1 . 2]" 1
808 1 56 VAL H 1 57 GLU HG2 4.000 . 6.000 6.063 6.025 6.092 0.092 2 0 "[ . 1 . 2]" 1
809 1 56 VAL H 1 57 GLU HA 4.000 . 5.300 5.311 5.279 5.340 0.040 2 0 "[ . 1 . 2]" 1
810 1 56 VAL HA 1 59 LEU H 3.000 . 3.500 3.508 3.350 3.607 0.107 6 0 "[ . 1 . 2]" 1
811 1 56 VAL MG2 1 65 TRP H 3.000 . 4.500 4.659 4.143 4.854 0.354 7 0 "[ . 1 . 2]" 1
812 1 56 VAL MG2 1 65 TRP HB2 4.000 . 5.500 4.909 3.885 5.895 0.395 11 0 "[ . 1 . 2]" 1
813 1 56 VAL MG2 1 65 TRP HB3 4.000 . 5.500 4.112 2.463 5.533 0.033 11 0 "[ . 1 . 2]" 1
814 1 57 GLU HA 1 57 GLU HG3 2.500 . 2.700 2.832 2.807 2.869 0.169 19 0 "[ . 1 . 2]" 1
815 1 57 GLU HA 1 57 GLU HG2 2.500 . 2.700 2.422 2.339 2.490 . 0 0 "[ . 1 . 2]" 1
816 1 57 GLU H 1 57 GLU HB2 2.500 . 2.900 2.387 2.323 2.418 . 0 0 "[ . 1 . 2]" 1
817 1 57 GLU H 1 57 GLU HG2 2.500 . 3.400 3.575 3.552 3.658 0.258 19 0 "[ . 1 . 2]" 1
818 1 57 GLU H 1 57 GLU HB3 2.500 . 3.600 3.589 3.577 3.603 0.003 5 0 "[ . 1 . 2]" 1
819 1 57 GLU H 1 57 GLU HG3 2.500 . 2.900 2.294 2.210 2.494 . 0 0 "[ . 1 . 2]" 1
820 1 57 GLU H 1 58 LYS HA 4.000 . 6.000 5.321 5.239 5.383 . 0 0 "[ . 1 . 2]" 1
821 1 57 GLU H 1 58 LYS H 2.500 . 2.900 2.689 2.560 2.775 . 0 0 "[ . 1 . 2]" 1
822 1 57 GLU HB3 1 58 LYS H 3.000 . 3.500 3.543 3.504 3.609 0.109 6 0 "[ . 1 . 2]" 1
823 1 57 GLU HB2 1 58 LYS H 2.500 . 2.900 2.610 2.552 2.732 . 0 0 "[ . 1 . 2]" 1
824 1 57 GLU HA 1 58 LYS H 2.500 . 3.600 3.588 3.571 3.606 0.006 9 0 "[ . 1 . 2]" 1
825 1 58 LYS HA 1 58 LYS HD3 3.000 . 4.400 4.516 4.503 4.535 0.135 5 0 "[ . 1 . 2]" 1
826 1 58 LYS HA 1 58 LYS HE3 4.000 . 5.000 4.788 4.718 4.817 . 0 0 "[ . 1 . 2]" 1
827 1 58 LYS HA 1 58 LYS HG3 2.500 . 2.700 2.659 2.622 2.697 . 0 0 "[ . 1 . 2]" 1
828 1 58 LYS HB3 1 58 LYS HE3 2.500 . 2.700 2.319 2.279 2.329 . 0 0 "[ . 1 . 2]" 1
829 1 58 LYS H 1 58 LYS HE3 4.000 . 5.100 5.153 5.118 5.232 0.132 14 0 "[ . 1 . 2]" 1
830 1 58 LYS HE3 1 58 LYS HG3 4.000 . 6.000 3.898 3.886 3.907 . 0 0 "[ . 1 . 2]" 1
831 1 58 LYS H 1 58 LYS HD3 3.000 . 4.000 4.144 4.117 4.166 0.166 7 0 "[ . 1 . 2]" 1
832 1 58 LYS H 1 58 LYS HB3 2.500 . 3.400 3.490 3.468 3.501 0.101 4 0 "[ . 1 . 2]" 1
833 1 58 LYS H 1 58 LYS HG3 2.500 . 2.900 2.928 2.871 2.986 0.086 20 0 "[ . 1 . 2]" 1
834 1 58 LYS HB3 1 58 LYS HD3 2.500 . 3.200 3.063 2.959 3.106 . 0 0 "[ . 1 . 2]" 1
835 1 58 LYS HB3 1 59 LEU H 2.500 . 2.900 2.881 2.789 3.122 0.222 19 0 "[ . 1 . 2]" 1
836 1 58 LYS H 1 59 LEU H 2.500 . 2.900 2.901 2.632 2.966 0.066 18 0 "[ . 1 . 2]" 1
837 1 58 LYS HA 1 59 LEU H 2.500 . 3.600 3.606 3.533 3.641 0.041 18 0 "[ . 1 . 2]" 1
838 1 59 LEU HA 1 59 LEU MD1 4.000 . 6.500 3.904 3.810 4.143 . 0 0 "[ . 1 . 2]" 1
839 1 59 LEU HA 1 59 LEU MD2 2.500 . 3.200 2.380 2.141 3.377 0.177 12 0 "[ . 1 . 2]" 1
840 1 59 LEU H 1 59 LEU HG 2.500 . 2.900 2.104 1.800 2.520 . 0 0 "[ . 1 . 2]" 1
841 1 59 LEU H 1 59 LEU MD1 2.500 . 3.400 3.509 3.319 3.894 0.494 19 0 "[ . 1 . 2]" 1
842 1 59 LEU H 1 59 LEU MD2 2.500 . 3.400 3.276 1.771 3.619 0.219 19 0 "[ . 1 . 2]" 1
843 1 59 LEU HA 1 59 LEU HG 2.500 . 3.100 3.054 2.825 3.534 0.434 18 0 "[ . 1 . 2]" 1
844 1 63 LYS HA 1 63 LYS HE3 4.000 . 6.000 4.406 4.306 4.653 . 0 0 "[ . 1 . 2]" 1
845 1 63 LYS HA 1 63 LYS HG3 2.500 . 2.700 2.310 2.248 2.345 . 0 0 "[ . 1 . 2]" 1
846 1 63 LYS HA 1 63 LYS HD3 2.500 . 2.700 2.476 2.333 2.837 0.137 20 0 "[ . 1 . 2]" 1
847 1 63 LYS HA 1 63 LYS HE2 4.000 . 6.000 4.686 4.380 5.086 . 0 0 "[ . 1 . 2]" 1
848 1 63 LYS H 1 63 LYS HE2 4.000 . 6.000 4.527 2.641 5.400 . 0 0 "[ . 1 . 2]" 1
849 1 63 LYS H 1 63 LYS HG3 4.000 . 6.000 4.387 4.032 4.587 . 0 0 "[ . 1 . 2]" 1
850 1 63 LYS H 1 63 LYS HB2 4.000 . 5.000 2.213 2.118 2.582 . 0 0 "[ . 1 . 2]" 1
851 1 63 LYS H 1 63 LYS HD3 3.000 . 3.500 3.292 2.469 3.711 0.211 9 0 "[ . 1 . 2]" 1
852 1 63 LYS H 1 63 LYS HB3 3.000 . 3.500 3.215 3.009 3.530 0.030 11 0 "[ . 1 . 2]" 1
853 1 63 LYS H 1 63 LYS HE3 4.000 . 6.000 4.121 3.649 4.563 . 0 0 "[ . 1 . 2]" 1
854 1 63 LYS HB3 1 63 LYS HE2 4.000 . 5.000 4.770 4.123 4.924 . 0 0 "[ . 1 . 2]" 1
855 1 63 LYS HB2 1 63 LYS HE2 4.000 . 5.000 3.369 2.512 3.644 . 0 0 "[ . 1 . 2]" 1
856 1 63 LYS HE2 1 63 LYS HG3 4.000 . 6.000 4.237 4.065 4.258 . 0 0 "[ . 1 . 2]" 1
857 1 63 LYS HB3 1 63 LYS HE3 2.500 . 3.400 3.493 3.457 3.585 0.185 4 0 "[ . 1 . 2]" 1
858 1 63 LYS HB2 1 63 LYS HE3 2.500 . 2.700 2.322 2.283 2.379 . 0 0 "[ . 1 . 2]" 1
859 1 63 LYS HE3 1 63 LYS HG3 4.000 . 5.000 3.626 3.561 3.721 . 0 0 "[ . 1 . 2]" 1
860 1 63 LYS HB3 1 63 LYS HD3 2.500 . 3.600 3.627 3.598 3.697 0.097 17 0 "[ . 1 . 2]" 1
861 1 63 LYS HB2 1 63 LYS HD3 2.500 . 2.700 2.543 2.433 2.765 0.065 11 0 "[ . 1 . 2]" 1
862 1 63 LYS HA 1 64 ASP HB3 4.000 . 5.600 5.681 5.600 5.728 0.128 19 0 "[ . 1 . 2]" 1
863 1 63 LYS HA 1 64 ASP HB2 4.000 . 5.000 5.091 4.981 5.220 0.220 10 0 "[ . 1 . 2]" 1
864 1 63 LYS HB2 1 64 ASP H 4.000 . 5.000 4.160 3.792 4.464 . 0 0 "[ . 1 . 2]" 1
865 1 63 LYS HA 1 64 ASP H 2.500 . 2.900 2.344 2.169 2.639 . 0 0 "[ . 1 . 2]" 1
866 1 63 LYS HB3 1 64 ASP H 3.000 . 3.500 3.122 2.600 3.628 0.128 2 0 "[ . 1 . 2]" 1
867 1 63 LYS H 1 64 ASP H 4.000 . 6.000 4.594 4.437 4.642 . 0 0 "[ . 1 . 2]" 1
868 1 64 ASP H 1 64 ASP HB2 2.500 . 2.900 2.830 2.698 3.129 0.229 2 0 "[ . 1 . 2]" 1
869 1 64 ASP H 1 64 ASP HB3 2.500 . 3.900 3.627 3.525 3.956 0.056 2 0 "[ . 1 . 2]" 1
870 1 64 ASP HA 1 65 TRP H 2.500 . 2.900 2.322 2.274 2.368 . 0 0 "[ . 1 . 2]" 1
871 1 64 ASP HB3 1 65 TRP H 3.000 . 3.500 2.884 2.783 3.018 . 0 0 "[ . 1 . 2]" 1
872 1 64 ASP HB2 1 65 TRP H 3.000 . 3.500 3.565 3.451 3.619 0.119 14 0 "[ . 1 . 2]" 1
873 1 64 ASP H 1 65 TRP H 4.000 . 6.000 4.621 4.367 4.688 . 0 0 "[ . 1 . 2]" 1
874 1 64 ASP HB2 1 67 ASP H 4.000 . 6.000 3.894 3.144 4.520 . 0 0 "[ . 1 . 2]" 1
875 1 64 ASP HA 1 67 ASP H 4.000 . 6.000 4.917 4.440 5.316 . 0 0 "[ . 1 . 2]" 1
876 1 64 ASP HB2 1 68 HIS H 2.500 . 2.900 2.990 2.847 3.250 0.350 10 0 "[ . 1 . 2]" 1
877 1 65 TRP H 1 65 TRP HB3 2.500 . 3.500 3.507 2.336 3.846 0.346 2 0 "[ . 1 . 2]" 1
878 1 65 TRP H 1 65 TRP HB2 2.500 . 2.900 2.740 2.294 3.478 0.578 15 2 "[ . - 1 + 2]" 1
879 1 65 TRP H 1 66 SER H 2.500 . 2.900 2.939 2.728 3.185 0.285 15 0 "[ . 1 . 2]" 1
880 1 65 TRP H 1 66 SER HA 4.000 . 6.000 5.255 4.910 5.447 . 0 0 "[ . 1 . 2]" 1
881 1 65 TRP HB2 1 66 SER H 2.500 . 2.900 1.894 1.692 3.216 0.316 5 0 "[ . 1 . 2]" 1
882 1 65 TRP HA 1 66 SER H 2.500 . 3.500 3.516 3.389 3.563 0.063 3 0 "[ . 1 . 2]" 1
883 1 65 TRP HB3 1 66 SER H 2.500 . 2.900 2.877 1.829 3.346 0.446 10 0 "[ . 1 . 2]" 1
884 1 65 TRP HB3 1 68 HIS H 4.000 . 6.000 5.919 5.343 6.264 0.264 12 0 "[ . 1 . 2]" 1
885 1 66 SER H 1 66 SER HB3 4.000 . 6.000 2.916 2.288 3.646 . 0 0 "[ . 1 . 2]" 1
886 1 66 SER H 1 66 SER HB2 4.000 . 6.000 2.915 2.369 3.641 . 0 0 "[ . 1 . 2]" 1
887 1 66 SER HB3 1 67 ASP H 4.000 . 6.000 3.722 2.684 4.388 . 0 0 "[ . 1 . 2]" 1
888 1 66 SER HB2 1 67 ASP H 4.000 . 6.000 3.663 2.550 4.507 . 0 0 "[ . 1 . 2]" 1
889 1 66 SER HA 1 67 ASP H 4.000 . 6.000 3.460 3.240 3.624 . 0 0 "[ . 1 . 2]" 1
890 1 66 SER H 1 67 ASP H 4.000 . 6.000 2.761 2.414 3.207 . 0 0 "[ . 1 . 2]" 1
891 1 66 SER HA 1 68 HIS H 4.000 . 5.000 4.245 3.667 4.967 . 0 0 "[ . 1 . 2]" 1
892 1 66 SER H 1 68 HIS H 4.000 . 5.000 4.493 4.092 5.019 0.019 8 0 "[ . 1 . 2]" 1
893 1 67 ASP H 1 67 ASP HB3 2.500 . 2.900 2.841 2.440 3.030 0.130 10 0 "[ . 1 . 2]" 1
894 1 67 ASP HB3 1 68 HIS H 2.500 . 2.900 2.728 2.349 3.137 0.237 5 0 "[ . 1 . 2]" 1
895 1 67 ASP H 1 68 HIS H 2.500 . 2.900 2.653 1.910 2.953 0.053 15 0 "[ . 1 . 2]" 1
896 1 68 HIS H 1 68 HIS HB3 3.000 . 3.500 3.180 2.453 3.628 0.128 19 0 "[ . 1 . 2]" 1
897 1 68 HIS H 1 68 HIS HB2 3.000 . 3.500 2.955 2.364 3.638 0.138 8 0 "[ . 1 . 2]" 1
898 1 68 HIS HA 1 69 ALA H 4.000 . 6.000 2.546 2.371 2.639 . 0 0 "[ . 1 . 2]" 1
899 1 68 HIS H 1 69 ALA H 3.000 . 4.400 4.593 4.547 4.641 0.241 10 0 "[ . 1 . 2]" 1
900 1 68 HIS HB2 1 69 ALA H 4.000 . 6.000 2.896 2.092 3.721 . 0 0 "[ . 1 . 2]" 1
901 1 68 HIS H 1 69 ALA MB 4.000 . 6.500 5.174 5.068 5.358 . 0 0 "[ . 1 . 2]" 1
902 1 68 HIS H 1 70 LEU MD2 4.000 . 6.500 6.203 5.990 6.450 . 0 0 "[ . 1 . 2]" 1
903 1 68 HIS HB2 1 70 LEU H 4.000 . 6.400 6.307 5.707 6.564 0.164 20 0 "[ . 1 . 2]" 1
904 1 69 ALA H 1 69 ALA MB 2.500 . 3.400 2.718 2.610 2.795 . 0 0 "[ . 1 . 2]" 1
905 1 69 ALA H 1 70 LEU MD1 3.000 . 4.000 3.916 3.556 4.104 0.104 8 0 "[ . 1 . 2]" 1
906 1 69 ALA H 1 70 LEU H 4.000 . 5.000 4.415 4.331 4.474 . 0 0 "[ . 1 . 2]" 1
907 1 69 ALA MB 1 70 LEU H 2.500 . 3.400 2.553 2.305 2.739 . 0 0 "[ . 1 . 2]" 1
908 1 69 ALA MB 1 70 LEU HA 3.000 . 4.200 4.140 4.066 4.199 . 0 0 "[ . 1 . 2]" 1
909 1 69 ALA MB 1 71 TRP H 4.000 . 6.500 4.666 4.589 4.735 . 0 0 "[ . 1 . 2]" 1
910 1 69 ALA MB 1 78 TRP H 4.000 . 6.500 5.686 5.336 6.053 . 0 0 "[ . 1 . 2]" 1
911 1 69 ALA H 1 100 THR H 2.500 . 2.900 2.854 2.712 2.932 0.032 3 0 "[ . 1 . 2]" 1
912 1 69 ALA MB 1 99 PHE H 4.000 . 6.900 6.982 6.916 7.033 0.133 19 0 "[ . 1 . 2]" 1
913 1 69 ALA H 1 99 PHE HA 3.000 . 4.600 4.639 4.443 4.738 0.138 8 0 "[ . 1 . 2]" 1
914 1 69 ALA MB 1 99 PHE HA 3.000 . 5.000 5.089 5.032 5.148 0.148 19 0 "[ . 1 . 2]" 1
915 1 69 ALA H 1 100 THR MG 2.500 . 3.400 3.311 2.974 3.537 0.137 11 0 "[ . 1 . 2]" 1
916 1 69 ALA MB 1 100 THR HA 3.000 . 4.900 5.027 4.750 5.254 0.354 8 0 "[ . 1 . 2]" 1
917 1 69 ALA H 1 101 PRO HA 2.500 . 3.300 3.384 2.961 3.545 0.245 19 0 "[ . 1 . 2]" 1
918 1 70 LEU HA 1 70 LEU MD1 2.500 . 3.200 2.091 2.072 2.115 . 0 0 "[ . 1 . 2]" 1
919 1 70 LEU HA 1 70 LEU MD2 2.500 . 3.200 3.214 3.162 3.268 0.068 12 0 "[ . 1 . 2]" 1
920 1 70 LEU HA 1 70 LEU HG 4.000 . 6.000 3.714 3.695 3.731 . 0 0 "[ . 1 . 2]" 1
921 1 70 LEU H 1 70 LEU HG 2.500 . 3.800 3.984 3.904 4.051 0.251 7 0 "[ . 1 . 2]" 1
922 1 70 LEU H 1 70 LEU MD1 2.500 . 3.400 3.212 3.050 3.315 . 0 0 "[ . 1 . 2]" 1
923 1 70 LEU H 1 70 LEU MD2 2.500 . 3.400 1.934 1.852 2.049 . 0 0 "[ . 1 . 2]" 1
924 1 70 LEU H 1 70 LEU HB3 2.500 . 3.700 3.714 3.698 3.753 0.053 14 0 "[ . 1 . 2]" 1
925 1 70 LEU HB3 1 70 LEU MD1 3.000 . 3.800 2.416 2.385 2.458 . 0 0 "[ . 1 . 2]" 1
926 1 70 LEU HB3 1 70 LEU MD2 3.000 . 3.800 3.219 3.211 3.223 . 0 0 "[ . 1 . 2]" 1
927 1 70 LEU HB3 1 71 TRP H 2.500 . 3.700 3.556 3.505 3.599 . 0 0 "[ . 1 . 2]" 1
928 1 70 LEU HA 1 71 TRP H 2.500 . 2.900 2.232 2.200 2.258 . 0 0 "[ . 1 . 2]" 1
929 1 70 LEU MD1 1 71 TRP H 2.500 . 3.900 3.820 3.781 3.878 . 0 0 "[ . 1 . 2]" 1
930 1 70 LEU H 1 71 TRP H 3.000 . 4.300 4.411 4.357 4.456 0.156 19 0 "[ . 1 . 2]" 1
931 1 74 LYS HG2 1 76 ARG H 4.000 . 5.000 5.094 5.027 5.152 0.152 17 0 "[ . 1 . 2]" 1
932 1 70 LEU H 1 77 THR MG 4.000 . 6.700 6.733 6.505 6.836 0.136 14 0 "[ . 1 . 2]" 1
933 1 70 LEU MD2 1 79 LEU H 2.500 . 3.400 3.466 3.391 3.538 0.138 8 0 "[ . 1 . 2]" 1
934 1 70 LEU H 1 79 LEU MD2 4.000 . 6.500 5.158 5.009 5.322 . 0 0 "[ . 1 . 2]" 1
935 1 70 LEU H 1 79 LEU HG 4.000 . 5.000 3.784 3.624 3.949 . 0 0 "[ . 1 . 2]" 1
936 1 70 LEU H 1 79 LEU MD1 3.000 . 4.000 4.200 4.081 4.271 0.271 7 0 "[ . 1 . 2]" 1
937 1 70 LEU HB3 1 79 LEU MD1 4.000 . 6.500 2.940 2.823 3.115 . 0 0 "[ . 1 . 2]" 1
938 1 70 LEU HG 1 79 LEU MD1 2.500 . 3.200 3.068 2.918 3.221 0.021 8 0 "[ . 1 . 2]" 1
939 1 70 LEU HG 1 97 LEU HA 4.000 . 6.200 6.335 6.294 6.380 0.180 19 0 "[ . 1 . 2]" 1
940 1 70 LEU MD2 1 97 LEU HB3 4.000 . 6.500 5.298 5.236 5.425 . 0 0 "[ . 1 . 2]" 1
941 1 70 LEU MD1 1 97 LEU HB3 4.000 . 6.500 3.929 3.828 4.128 . 0 0 "[ . 1 . 2]" 1
942 1 70 LEU MD1 1 98 GLN HA 4.000 . 5.500 4.734 4.663 4.792 . 0 0 "[ . 1 . 2]" 1
943 1 70 LEU MD1 1 98 GLN H 2.500 . 3.900 4.064 4.026 4.111 0.211 12 0 "[ . 1 . 2]" 1
944 1 70 LEU HA 1 98 GLN H 3.000 . 4.400 4.156 4.123 4.198 . 0 0 "[ . 1 . 2]" 1
945 1 70 LEU HA 1 99 PHE H 3.000 . 4.100 4.305 4.261 4.370 0.270 18 0 "[ . 1 . 2]" 1
946 1 70 LEU MD1 1 99 PHE H 4.000 . 5.500 4.263 4.190 4.344 . 0 0 "[ . 1 . 2]" 1
947 1 70 LEU HG 1 100 THR H 4.000 . 6.000 6.148 6.038 6.248 0.248 12 0 "[ . 1 . 2]" 1
948 1 70 LEU MD1 1 100 THR H 2.500 . 3.400 3.193 3.082 3.285 . 0 0 "[ . 1 . 2]" 1
949 1 70 LEU HA 1 100 THR H 2.500 . 2.900 3.089 3.012 3.168 0.268 12 0 "[ . 1 . 2]" 1
950 1 70 LEU H 1 100 THR H 4.000 . 6.000 4.713 4.642 4.799 . 0 0 "[ . 1 . 2]" 1
951 1 71 TRP H 1 71 TRP HB2 2.500 . 2.900 2.376 2.218 2.957 0.057 14 0 "[ . 1 . 2]" 1
952 1 71 TRP H 1 71 TRP HB3 2.500 . 2.900 2.997 2.395 3.133 0.233 5 0 "[ . 1 . 2]" 1
953 1 71 TRP HB3 1 72 TRP H 4.000 . 5.000 3.906 3.760 4.391 . 0 0 "[ . 1 . 2]" 1
954 1 71 TRP HB2 1 72 TRP H 3.000 . 4.500 4.507 4.263 4.663 0.163 18 0 "[ . 1 . 2]" 1
955 1 71 TRP H 1 72 TRP H 4.000 . 6.000 4.529 4.418 4.595 . 0 0 "[ . 1 . 2]" 1
956 1 71 TRP H 1 97 LEU HA 4.000 . 5.800 5.889 5.833 5.945 0.145 15 0 "[ . 1 . 2]" 1
957 1 71 TRP H 1 98 GLN H 2.500 . 3.700 3.700 3.653 3.750 0.050 15 0 "[ . 1 . 2]" 1
958 1 71 TRP H 1 99 PHE HA 2.500 . 3.600 3.089 3.001 3.175 . 0 0 "[ . 1 . 2]" 1
959 1 71 TRP H 1 99 PHE HB3 4.000 . 5.300 5.407 5.336 5.460 0.160 20 0 "[ . 1 . 2]" 1
960 1 71 TRP H 1 99 PHE H 4.000 . 6.000 3.690 3.628 3.755 . 0 0 "[ . 1 . 2]" 1
961 1 71 TRP H 1 100 THR H 4.000 . 5.000 3.839 3.722 3.909 . 0 0 "[ . 1 . 2]" 1
962 1 71 TRP H 1 100 THR MG 2.500 . 3.400 1.952 1.822 3.098 . 0 0 "[ . 1 . 2]" 1
963 1 71 TRP H 1 100 THR HG1 3.000 . 4.800 5.007 4.922 5.052 0.252 10 0 "[ . 1 . 2]" 1
964 1 72 TRP H 1 72 TRP HB3 2.500 . 3.800 2.606 2.306 2.746 . 0 0 "[ . 1 . 2]" 1
965 1 72 TRP H 1 72 TRP HB2 2.500 . 2.900 2.735 2.360 3.582 0.682 18 2 "[ . 1 - . + 2]" 1
966 1 72 TRP H 1 73 GLU H 4.000 . 6.000 4.344 4.021 4.567 . 0 0 "[ . 1 . 2]" 1
967 1 72 TRP HB2 1 73 GLU H 3.000 . 4.600 4.407 3.278 4.624 0.024 16 0 "[ . 1 . 2]" 1
968 1 72 TRP HB3 1 73 GLU H 3.000 . 4.200 4.287 4.172 4.383 0.183 13 0 "[ . 1 . 2]" 1
969 1 72 TRP HA 1 73 GLU H 2.500 . 2.900 2.226 2.159 2.298 . 0 0 "[ . 1 . 2]" 1
970 1 72 TRP HA 1 74 LYS H 2.500 . 3.800 3.645 3.463 3.930 0.130 18 0 "[ . 1 . 2]" 1
971 1 72 TRP H 1 74 LYS H 4.000 . 6.000 5.312 4.944 5.578 . 0 0 "[ . 1 . 2]" 1
972 1 72 TRP HA 1 74 LYS HB3 4.000 . 5.700 5.135 4.787 5.572 . 0 0 "[ . 1 . 2]" 1
973 1 72 TRP H 1 77 THR HB 4.000 . 6.000 5.312 4.875 5.587 . 0 0 "[ . 1 . 2]" 1
974 1 72 TRP H 1 77 THR H 2.500 . 2.900 2.807 2.344 3.026 0.126 15 0 "[ . 1 . 2]" 1
975 1 72 TRP HB2 1 77 THR H 4.000 . 6.000 4.070 3.014 5.208 . 0 0 "[ . 1 . 2]" 1
976 1 72 TRP HB3 1 77 THR H 2.500 . 4.000 2.826 1.911 4.512 0.512 18 1 "[ . 1 . + 2]" 1
977 1 72 TRP H 1 77 THR MG 2.500 . 3.400 3.452 3.339 3.548 0.148 13 0 "[ . 1 . 2]" 1
978 1 72 TRP H 1 78 TRP H 4.000 . 6.000 4.853 4.585 5.109 . 0 0 "[ . 1 . 2]" 1
979 1 72 TRP H 1 79 LEU MD1 4.000 . 5.500 4.600 4.219 4.821 . 0 0 "[ . 1 . 2]" 1
980 1 72 TRP H 1 79 LEU MD2 3.000 . 4.000 3.907 3.556 4.043 0.043 1 0 "[ . 1 . 2]" 1
981 1 72 TRP H 1 79 LEU H 4.000 . 5.000 4.985 4.707 5.124 0.124 1 0 "[ . 1 . 2]" 1
982 1 72 TRP HA 1 79 LEU HG 4.000 . 6.000 5.264 4.913 5.674 . 0 0 "[ . 1 . 2]" 1
983 1 72 TRP HB2 1 79 LEU MD1 3.000 . 3.800 3.134 2.520 3.716 . 0 0 "[ . 1 . 2]" 1
984 1 72 TRP HB2 1 79 LEU MD2 3.000 . 4.400 2.446 2.241 3.502 . 0 0 "[ . 1 . 2]" 1
985 1 72 TRP H 1 80 LEU MD2 4.000 . 6.600 6.745 6.582 6.818 0.218 17 0 "[ . 1 . 2]" 1
986 1 72 TRP H 1 97 LEU MD2 3.000 . 5.000 4.881 4.470 5.054 0.054 19 0 "[ . 1 . 2]" 1
987 1 72 TRP HB2 1 97 LEU MD2 3.000 . 3.800 3.264 2.337 3.926 0.126 16 0 "[ . 1 . 2]" 1
988 1 72 TRP HB2 1 98 GLN H 4.000 . 6.000 5.063 4.128 5.606 . 0 0 "[ . 1 . 2]" 1
989 1 72 TRP HB2 1 98 GLN HG3 4.000 . 5.800 5.571 4.819 5.944 0.144 16 0 "[ . 1 . 2]" 1
990 1 73 GLU H 1 73 GLU HG3 2.500 . 2.900 2.539 1.776 3.084 0.184 17 0 "[ . 1 . 2]" 1
991 1 73 GLU H 1 73 GLU HB3 2.500 . 2.900 2.907 2.555 3.511 0.611 1 6 "[+ * . 1 * ** -]" 1
992 1 73 GLU H 1 73 GLU HG2 2.500 . 2.900 2.334 1.790 3.087 0.187 5 0 "[ . 1 . 2]" 1
993 1 73 GLU HA 1 73 GLU HG3 4.000 . 5.000 3.604 3.157 3.742 . 0 0 "[ . 1 . 2]" 1
994 1 73 GLU HA 1 73 GLU HG2 4.000 . 6.000 3.496 2.428 4.213 . 0 0 "[ . 1 . 2]" 1
995 1 73 GLU H 1 74 LYS H 3.000 . 3.500 2.775 2.518 2.995 . 0 0 "[ . 1 . 2]" 1
996 1 73 GLU HB3 1 74 LYS HA 4.000 . 6.000 5.399 4.528 5.803 . 0 0 "[ . 1 . 2]" 1
997 1 73 GLU HA 1 74 LYS H 4.000 . 5.000 3.507 3.417 3.582 . 0 0 "[ . 1 . 2]" 1
998 1 73 GLU HB3 1 74 LYS H 3.000 . 4.200 4.156 3.844 4.276 0.076 13 0 "[ . 1 . 2]" 1
999 1 73 GLU HG3 1 74 LYS H 4.000 . 6.000 3.055 2.124 5.167 . 0 0 "[ . 1 . 2]" 1
1000 1 73 GLU HB3 1 76 ARG HA 4.000 . 6.000 5.640 5.086 6.102 0.102 18 0 "[ . 1 . 2]" 1
1001 1 73 GLU H 1 77 THR H 4.000 . 6.000 5.501 5.153 5.833 . 0 0 "[ . 1 . 2]" 1
1002 1 73 GLU H 1 79 LEU MD1 4.000 . 6.500 6.060 5.752 6.541 0.041 20 0 "[ . 1 . 2]" 1
1003 1 74 LYS HA 1 74 LYS HE3 4.000 . 5.000 4.972 4.819 5.075 0.075 2 0 "[ . 1 . 2]" 1
1004 1 74 LYS HA 1 74 LYS HD3 3.000 . 4.200 4.467 4.355 4.559 0.359 12 0 "[ . 1 . 2]" 1
1005 1 74 LYS HA 1 74 LYS HG3 2.500 . 2.700 2.412 2.337 2.502 . 0 0 "[ . 1 . 2]" 1
1006 1 74 LYS HE3 1 74 LYS HG3 2.500 . 2.700 2.620 2.484 2.836 0.136 17 0 "[ . 1 . 2]" 1
1007 1 74 LYS H 1 74 LYS HE3 4.000 . 6.500 6.591 6.500 6.653 0.153 20 0 "[ . 1 . 2]" 1
1008 1 74 LYS H 1 74 LYS HD3 3.000 . 4.800 4.807 4.706 4.899 0.099 17 0 "[ . 1 . 2]" 1
1009 1 74 LYS H 1 74 LYS HG3 3.000 . 4.300 4.416 4.346 4.460 0.160 15 0 "[ . 1 . 2]" 1
1010 1 74 LYS H 1 74 LYS HB3 2.500 . 2.900 2.543 2.443 2.741 . 0 0 "[ . 1 . 2]" 1
1011 1 74 LYS HB3 1 74 LYS HD3 2.500 . 3.600 2.545 2.307 2.784 . 0 0 "[ . 1 . 2]" 1
1012 1 74 LYS HB3 1 74 LYS HE3 4.000 . 6.000 4.465 4.218 4.602 . 0 0 "[ . 1 . 2]" 1
1013 1 74 LYS HA 1 75 LYS H 4.000 . 6.000 3.588 3.566 3.603 . 0 0 "[ . 1 . 2]" 1
1014 1 74 LYS HB3 1 75 LYS H 2.500 . 2.900 2.300 2.136 2.460 . 0 0 "[ . 1 . 2]" 1
1015 1 74 LYS H 1 75 LYS HG2 4.000 . 6.000 5.496 4.505 6.037 0.037 14 0 "[ . 1 . 2]" 1
1016 1 74 LYS H 1 75 LYS HA 4.000 . 6.000 5.447 5.290 5.575 . 0 0 "[ . 1 . 2]" 1
1017 1 74 LYS H 1 75 LYS H 4.000 . 5.000 2.952 2.684 3.187 . 0 0 "[ . 1 . 2]" 1
1018 1 74 LYS HA 1 76 ARG HD3 4.000 . 6.000 4.985 3.957 6.009 0.009 20 0 "[ . 1 . 2]" 1
1019 1 74 LYS HA 1 76 ARG H 4.000 . 6.000 4.435 4.061 4.843 . 0 0 "[ . 1 . 2]" 1
1020 1 74 LYS HB3 1 76 ARG HA 4.000 . 6.100 6.199 6.007 6.372 0.272 19 0 "[ . 1 . 2]" 1
1021 1 74 LYS H 1 76 ARG H 4.000 . 5.000 3.651 3.341 4.044 . 0 0 "[ . 1 . 2]" 1
1022 1 74 LYS H 1 79 LEU MD1 4.000 . 6.500 6.543 6.367 6.619 0.119 13 0 "[ . 1 . 2]" 1
1023 1 74 LYS H 1 95 ALA HA 4.000 . 6.000 6.146 6.043 6.376 0.376 2 0 "[ . 1 . 2]" 1
1024 1 74 LYS H 1 97 LEU MD2 3.000 . 4.700 4.818 4.718 4.915 0.215 6 0 "[ . 1 . 2]" 1
1025 1 76 ARG HA 1 76 ARG HD3 2.500 . 3.600 3.032 2.332 3.692 0.092 12 0 "[ . 1 . 2]" 1
1026 1 76 ARG H 1 76 ARG HB3 3.000 . 4.200 3.931 2.960 4.155 . 0 0 "[ . 1 . 2]" 1
1027 1 76 ARG H 1 76 ARG HB2 2.500 . 3.900 3.635 3.365 3.998 0.098 8 0 "[ . 1 . 2]" 1
1028 1 76 ARG H 1 76 ARG HD3 2.500 . 2.900 2.300 2.007 2.725 . 0 0 "[ . 1 . 2]" 1
1029 1 76 ARG HB2 1 76 ARG HD3 4.000 . 6.000 3.182 2.335 4.015 . 0 0 "[ . 1 . 2]" 1
1030 1 76 ARG HB3 1 76 ARG HD3 2.500 . 3.700 3.428 2.322 3.762 0.062 5 0 "[ . 1 . 2]" 1
1031 1 76 ARG HD3 1 77 THR HB 4.000 . 6.100 6.168 5.878 6.303 0.203 18 0 "[ . 1 . 2]" 1
1032 1 76 ARG HA 1 77 THR H 2.500 . 2.900 2.626 2.235 2.866 . 0 0 "[ . 1 . 2]" 1
1033 1 76 ARG H 1 77 THR H 2.500 . 2.900 2.985 2.819 3.235 0.335 13 0 "[ . 1 . 2]" 1
1034 1 76 ARG HB2 1 77 THR H 3.000 . 4.400 4.359 4.194 4.556 0.156 13 0 "[ . 1 . 2]" 1
1035 1 76 ARG HB3 1 77 THR H 3.000 . 4.800 4.418 4.083 4.707 . 0 0 "[ . 1 . 2]" 1
1036 1 77 THR H 1 77 THR HB 2.500 . 2.900 2.930 2.750 3.031 0.131 2 0 "[ . 1 . 2]" 1
1037 1 77 THR H 1 77 THR MG 2.500 . 3.400 2.357 2.003 3.086 . 0 0 "[ . 1 . 2]" 1
1038 1 77 THR HA 1 77 THR MG 2.500 . 3.200 3.182 3.098 3.206 0.006 1 0 "[ . 1 . 2]" 1
1039 1 77 THR HB 1 78 TRP H 3.000 . 4.500 3.877 3.492 4.420 . 0 0 "[ . 1 . 2]" 1
1040 1 77 THR MG 1 78 TRP H 2.500 . 3.400 2.693 1.840 3.388 . 0 0 "[ . 1 . 2]" 1
1041 1 77 THR HA 1 78 TRP H 2.500 . 2.900 2.566 2.215 2.889 . 0 0 "[ . 1 . 2]" 1
1042 1 77 THR H 1 78 TRP H 3.000 . 4.100 4.311 4.260 4.436 0.336 11 0 "[ . 1 . 2]" 1
1043 1 77 THR HB 1 79 LEU MD2 4.000 . 5.500 5.050 4.701 5.298 . 0 0 "[ . 1 . 2]" 1
1044 1 77 THR MG 1 79 LEU H 3.000 . 4.400 4.452 4.353 4.526 0.126 20 0 "[ . 1 . 2]" 1
1045 1 78 TRP H 1 78 TRP HB2 2.500 . 2.900 2.920 2.837 3.035 0.135 7 0 "[ . 1 . 2]" 1
1046 1 78 TRP H 1 78 TRP HB3 2.500 . 3.500 3.739 3.608 3.838 0.338 18 0 "[ . 1 . 2]" 1
1047 1 78 TRP H 1 79 LEU MD2 4.000 . 5.500 4.195 3.960 4.530 . 0 0 "[ . 1 . 2]" 1
1048 1 78 TRP H 1 79 LEU MD1 4.000 . 6.500 6.392 6.191 6.624 0.124 20 0 "[ . 1 . 2]" 1
1049 1 78 TRP H 1 79 LEU H 4.000 . 5.000 4.518 4.440 4.615 . 0 0 "[ . 1 . 2]" 1
1050 1 78 TRP HB3 1 79 LEU H 2.500 . 2.900 2.934 2.758 3.031 0.131 7 0 "[ . 1 . 2]" 1
1051 1 78 TRP HB2 1 79 LEU H 2.500 . 3.300 3.491 3.414 3.558 0.258 16 0 "[ . 1 . 2]" 1
1052 1 78 TRP H 1 80 LEU MD1 4.000 . 5.500 5.188 4.991 5.525 0.025 7 0 "[ . 1 . 2]" 1
1053 1 78 TRP H 1 80 LEU MD2 4.000 . 5.500 4.117 3.490 4.637 . 0 0 "[ . 1 . 2]" 1
1054 1 78 TRP HB2 1 80 LEU H 4.000 . 5.000 4.630 4.217 4.979 . 0 0 "[ . 1 . 2]" 1
1055 1 79 LEU H 1 79 LEU HG 2.500 . 2.900 2.042 1.940 2.094 . 0 0 "[ . 1 . 2]" 1
1056 1 79 LEU H 1 79 LEU MD1 2.500 . 3.400 3.626 3.567 3.670 0.270 18 0 "[ . 1 . 2]" 1
1057 1 79 LEU H 1 79 LEU MD2 2.500 . 3.400 3.041 2.930 3.183 . 0 0 "[ . 1 . 2]" 1
1058 1 79 LEU H 1 79 LEU HB3 2.500 . 3.700 3.740 3.685 3.770 0.070 1 0 "[ . 1 . 2]" 1
1059 1 79 LEU HA 1 79 LEU MD2 3.000 . 3.800 2.296 2.183 2.431 . 0 0 "[ . 1 . 2]" 1
1060 1 79 LEU HA 1 79 LEU MD1 4.000 . 5.500 3.936 3.857 3.980 . 0 0 "[ . 1 . 2]" 1
1061 1 79 LEU HA 1 79 LEU HG 4.000 . 6.000 3.346 3.288 3.377 . 0 0 "[ . 1 . 2]" 1
1062 1 79 LEU H 1 80 LEU H 4.000 . 5.000 4.217 4.053 4.393 . 0 0 "[ . 1 . 2]" 1
1063 1 79 LEU H 1 80 LEU MD2 2.500 . 3.400 3.116 2.904 3.468 0.068 20 0 "[ . 1 . 2]" 1
1064 1 79 LEU HA 1 80 LEU H 2.500 . 2.900 2.214 2.184 2.269 . 0 0 "[ . 1 . 2]" 1
1065 1 79 LEU MD2 1 80 LEU H 3.000 . 4.100 4.178 3.984 4.252 0.152 7 0 "[ . 1 . 2]" 1
1066 1 79 LEU HB3 1 80 LEU H 4.000 . 5.000 3.851 3.625 4.063 . 0 0 "[ . 1 . 2]" 1
1067 1 79 LEU MD2 1 89 TYR HB2 4.000 . 6.500 4.995 4.601 5.233 . 0 0 "[ . 1 . 2]" 1
1068 1 79 LEU MD2 1 89 TYR HB3 4.000 . 5.500 5.323 5.002 5.573 0.073 18 0 "[ . 1 . 2]" 1
1069 1 80 LEU HA 1 80 LEU MD2 2.500 . 3.200 2.632 2.204 3.199 . 0 0 "[ . 1 . 2]" 1
1070 1 80 LEU HA 1 80 LEU MD1 4.000 . 5.500 3.265 2.070 4.148 . 0 0 "[ . 1 . 2]" 1
1071 1 80 LEU H 1 80 LEU MD1 2.500 . 3.400 3.531 3.315 3.627 0.227 11 0 "[ . 1 . 2]" 1
1072 1 80 LEU H 1 80 LEU MD2 2.500 . 3.400 2.458 1.827 2.938 . 0 0 "[ . 1 . 2]" 1
1073 1 80 LEU H 1 80 LEU HB3 2.500 . 3.500 3.671 3.587 3.736 0.236 2 0 "[ . 1 . 2]" 1
1074 1 80 LEU HB3 1 80 LEU MD2 2.500 . 3.200 2.641 2.228 3.219 0.019 1 0 "[ . 1 . 2]" 1
1075 1 80 LEU HB3 1 80 LEU MD1 2.500 . 3.200 2.353 2.265 2.534 . 0 0 "[ . 1 . 2]" 1
1076 1 80 LEU HA 1 81 LYS H 2.500 . 3.400 3.574 3.544 3.599 0.199 11 0 "[ . 1 . 2]" 1
1077 1 80 LEU H 1 81 LYS H 2.500 . 2.900 2.711 2.393 2.896 . 0 0 "[ . 1 . 2]" 1
1078 1 80 LEU HB3 1 81 LYS H 2.500 . 3.700 3.278 2.770 3.924 0.224 7 0 "[ . 1 . 2]" 1
1079 1 81 LYS HA 1 81 LYS HD2 4.000 . 5.000 5.254 5.235 5.272 0.272 11 0 "[ . 1 . 2]" 1
1080 1 81 LYS HA 1 81 LYS HE2 3.000 . 4.200 4.310 4.269 4.365 0.165 7 0 "[ . 1 . 2]" 1
1081 1 81 LYS HA 1 81 LYS HE3 2.500 . 3.600 3.750 3.732 3.766 0.166 13 0 "[ . 1 . 2]" 1
1082 1 81 LYS HA 1 81 LYS HG2 4.000 . 5.000 3.589 3.575 3.599 . 0 0 "[ . 1 . 2]" 1
1083 1 81 LYS HA 1 81 LYS HG3 4.000 . 5.000 4.171 4.158 4.178 . 0 0 "[ . 1 . 2]" 1
1084 1 81 LYS HA 1 81 LYS HD3 4.000 . 6.000 4.336 4.295 4.383 . 0 0 "[ . 1 . 2]" 1
1085 1 81 LYS H 1 81 LYS HB3 2.500 . 2.900 2.321 2.295 2.364 . 0 0 "[ . 1 . 2]" 1
1086 1 81 LYS H 1 81 LYS HE3 4.000 . 5.000 2.269 2.147 2.384 . 0 0 "[ . 1 . 2]" 1
1087 1 81 LYS H 1 81 LYS HE2 4.000 . 6.000 1.716 1.692 1.745 0.108 10 0 "[ . 1 . 2]" 1
1088 1 81 LYS H 1 81 LYS HG2 2.500 . 3.400 3.475 3.443 3.522 0.122 13 0 "[ . 1 . 2]" 1
1089 1 81 LYS H 1 81 LYS HG3 2.500 . 3.900 4.010 3.989 4.049 0.149 7 0 "[ . 1 . 2]" 1
1090 1 81 LYS H 1 81 LYS HD3 2.500 . 2.900 2.540 2.475 2.622 . 0 0 "[ . 1 . 2]" 1
1091 1 81 LYS H 1 81 LYS HD2 3.000 . 3.500 3.707 3.682 3.747 0.247 7 0 "[ . 1 . 2]" 1
1092 1 81 LYS HE3 1 81 LYS HG2 2.500 . 3.400 2.283 2.260 2.295 . 0 0 "[ . 1 . 2]" 1
1093 1 81 LYS HE2 1 81 LYS HG2 2.500 . 3.500 3.534 3.516 3.546 0.046 10 0 "[ . 1 . 2]" 1
1094 1 81 LYS HE3 1 81 LYS HG3 2.500 . 3.600 3.545 3.531 3.550 . 0 0 "[ . 1 . 2]" 1
1095 1 81 LYS HE2 1 81 LYS HG3 3.000 . 4.200 4.150 4.145 4.156 . 0 0 "[ . 1 . 2]" 1
1096 1 81 LYS HB3 1 81 LYS HE3 2.500 . 3.300 3.479 3.434 3.510 0.210 13 0 "[ . 1 . 2]" 1
1097 1 81 LYS HB3 1 81 LYS HE2 3.000 . 3.300 3.405 3.376 3.444 0.144 20 0 "[ . 1 . 2]" 1
1098 1 81 LYS HB3 1 81 LYS HD2 4.000 . 6.000 3.520 3.506 3.526 . 0 0 "[ . 1 . 2]" 1
1099 1 81 LYS HB3 1 81 LYS HD3 3.000 . 3.300 2.243 2.234 2.249 . 0 0 "[ . 1 . 2]" 1
1100 1 81 LYS HG3 1 82 THR H 3.000 . 4.400 4.479 4.420 4.567 0.167 13 0 "[ . 1 . 2]" 1
1101 1 81 LYS H 1 82 THR H 3.000 . 4.700 4.629 4.613 4.640 . 0 0 "[ . 1 . 2]" 1
1102 1 81 LYS HG2 1 82 THR H 2.500 . 3.500 3.657 3.602 3.716 0.216 13 0 "[ . 1 . 2]" 1
1103 1 81 LYS HA 1 82 THR H 2.500 . 2.900 2.213 2.177 2.245 . 0 0 "[ . 1 . 2]" 1
1104 1 81 LYS HB3 1 82 THR H 3.000 . 4.100 4.041 3.985 4.106 0.006 7 0 "[ . 1 . 2]" 1
1105 1 81 LYS HE3 1 82 THR H 4.000 . 5.000 4.596 4.568 4.621 . 0 0 "[ . 1 . 2]" 1
1106 1 81 LYS HD3 1 84 TRP H 4.000 . 5.000 5.106 4.852 5.183 0.183 19 0 "[ . 1 . 2]" 1
1107 1 81 LYS HG3 1 84 TRP H 4.000 . 5.000 3.286 2.672 3.478 . 0 0 "[ . 1 . 2]" 1
1108 1 81 LYS HA 1 84 TRP H 4.000 . 5.000 5.106 5.063 5.236 0.236 15 0 "[ . 1 . 2]" 1
1109 1 81 LYS HE3 1 85 THR H 4.000 . 6.500 6.690 6.637 6.827 0.327 13 0 "[ . 1 . 2]" 1
1110 1 82 THR H 1 82 THR HB 4.000 . 5.000 2.985 2.552 3.152 . 0 0 "[ . 1 . 2]" 1
1111 1 82 THR HA 1 82 THR MG 2.500 . 3.200 3.160 3.114 3.179 . 0 0 "[ . 1 . 2]" 1
1112 1 82 THR H 1 82 THR MG 2.500 . 3.400 1.760 1.683 2.043 0.117 20 0 "[ . 1 . 2]" 1
1113 1 82 THR HB 1 83 HIS H 4.000 . 6.000 4.023 3.728 4.113 . 0 0 "[ . 1 . 2]" 1
1114 1 82 THR H 1 83 HIS H 4.000 . 6.000 2.339 2.253 2.643 . 0 0 "[ . 1 . 2]" 1
1115 1 82 THR HA 1 83 HIS H 4.000 . 6.000 3.511 3.479 3.548 . 0 0 "[ . 1 . 2]" 1
1116 1 82 THR MG 1 84 TRP H 3.000 . 4.100 4.281 4.219 4.499 0.399 15 0 "[ . 1 . 2]" 1
1117 1 82 THR H 1 84 TRP H 4.000 . 5.000 4.191 4.089 4.471 . 0 0 "[ . 1 . 2]" 1
1118 1 83 HIS H 1 83 HIS HB2 4.000 . 6.000 2.364 2.284 2.489 . 0 0 "[ . 1 . 2]" 1
1119 1 83 HIS H 1 83 HIS HB3 4.000 . 6.000 2.830 2.618 3.604 . 0 0 "[ . 1 . 2]" 1
1120 1 83 HIS HB2 1 84 TRP H 4.000 . 5.000 3.897 2.522 4.166 . 0 0 "[ . 1 . 2]" 1
1121 1 83 HIS HB3 1 84 TRP H 2.500 . 2.900 2.996 2.344 3.109 0.209 12 0 "[ . 1 . 2]" 1
1122 1 83 HIS H 1 84 TRP H 4.000 . 5.000 2.973 2.889 3.224 . 0 0 "[ . 1 . 2]" 1
1123 1 84 TRP H 1 84 TRP HB2 2.500 . 2.900 2.364 2.242 2.421 . 0 0 "[ . 1 . 2]" 1
1124 1 84 TRP H 1 84 TRP HB3 2.500 . 3.500 3.499 2.734 3.627 0.127 20 0 "[ . 1 . 2]" 1
1125 1 84 TRP H 1 85 THR H 2.500 . 3.700 3.507 3.391 3.825 0.125 13 0 "[ . 1 . 2]" 1
1126 1 84 TRP HB3 1 85 THR H 3.000 . 4.000 4.256 4.197 4.308 0.308 16 0 "[ . 1 . 2]" 1
1127 1 84 TRP HB2 1 85 THR H 3.000 . 4.300 4.494 4.418 4.580 0.280 16 0 "[ . 1 . 2]" 1
1128 1 84 TRP H 1 88 LYS HD3 4.000 . 6.000 6.141 5.942 6.236 0.236 13 0 "[ . 1 . 2]" 1
1129 1 84 TRP H 1 88 LYS HE3 3.000 . 4.100 4.334 4.222 4.465 0.365 15 0 "[ . 1 . 2]" 1
1130 1 85 THR H 1 85 THR MG 2.500 . 3.400 3.470 3.203 3.587 0.187 4 0 "[ . 1 . 2]" 1
1131 1 85 THR H 1 85 THR HB 3.000 . 3.500 3.140 3.045 3.332 . 0 0 "[ . 1 . 2]" 1
1132 1 85 THR HB 1 86 LEU MD2 4.000 . 6.500 4.899 3.031 5.709 . 0 0 "[ . 1 . 2]" 1
1133 1 85 THR HA 1 86 LEU H 2.500 . 2.900 2.471 2.338 2.550 . 0 0 "[ . 1 . 2]" 1
1134 1 85 THR H 1 86 LEU H 3.000 . 4.700 4.656 4.597 4.693 . 0 0 "[ . 1 . 2]" 1
1135 1 85 THR HB 1 86 LEU H 2.500 . 2.900 3.028 2.907 3.122 0.222 10 0 "[ . 1 . 2]" 1
1136 1 85 THR MG 1 86 LEU H 2.500 . 3.400 2.258 1.761 2.919 0.039 3 0 "[ . 1 . 2]" 1
1137 1 85 THR HB 1 87 ASP H 2.500 . 2.900 2.865 2.585 3.015 0.115 4 0 "[ . 1 . 2]" 1
1138 1 85 THR HB 1 87 ASP HB3 4.000 . 6.000 3.105 2.823 3.333 . 0 0 "[ . 1 . 2]" 1
1139 1 85 THR MG 1 87 ASP H 3.000 . 4.000 3.252 2.861 3.717 . 0 0 "[ . 1 . 2]" 1
1140 1 85 THR H 1 87 ASP H 4.000 . 6.000 5.587 5.334 5.731 . 0 0 "[ . 1 . 2]" 1
1141 1 85 THR HB 1 88 LYS H 4.000 . 5.000 2.269 2.077 2.582 . 0 0 "[ . 1 . 2]" 1
1142 1 85 THR H 1 88 LYS HA 4.000 . 5.000 5.101 5.015 5.195 0.195 15 0 "[ . 1 . 2]" 1
1143 1 85 THR H 1 88 LYS H 2.500 . 3.700 3.910 3.800 3.979 0.279 4 0 "[ . 1 . 2]" 1
1144 1 85 THR MG 1 88 LYS H 3.000 . 4.000 3.896 3.675 4.216 0.216 15 0 "[ . 1 . 2]" 1
1145 1 85 THR H 1 88 LYS HB2 2.500 . 2.900 2.424 2.365 2.535 . 0 0 "[ . 1 . 2]" 1
1146 1 85 THR H 1 88 LYS HB3 2.500 . 3.700 3.617 3.455 3.824 0.124 18 0 "[ . 1 . 2]" 1
1147 1 85 THR H 1 88 LYS HG2 4.000 . 5.000 3.190 2.969 3.558 . 0 0 "[ . 1 . 2]" 1
1148 1 85 THR H 1 88 LYS HD3 2.500 . 2.900 2.837 2.624 2.911 0.011 6 0 "[ . 1 . 2]" 1
1149 1 85 THR H 1 88 LYS HE3 2.500 . 2.900 2.017 1.772 2.789 0.028 8 0 "[ . 1 . 2]" 1
1150 1 86 LEU HA 1 86 LEU HG 4.000 . 6.000 3.168 2.469 3.817 . 0 0 "[ . 1 . 2]" 1
1151 1 86 LEU HA 1 86 LEU MD1 2.500 . 3.600 3.052 2.188 4.049 0.449 13 0 "[ . 1 . 2]" 1
1152 1 86 LEU HA 1 86 LEU MD2 3.000 . 4.100 3.784 3.453 4.046 . 0 0 "[ . 1 . 2]" 1
1153 1 86 LEU H 1 86 LEU MD2 2.500 . 3.400 2.874 1.589 3.485 0.211 13 0 "[ . 1 . 2]" 1
1154 1 86 LEU H 1 86 LEU MD1 2.500 . 3.400 2.074 1.651 3.753 0.353 19 0 "[ . 1 . 2]" 1
1155 1 86 LEU H 1 86 LEU HG 2.500 . 3.700 2.737 1.861 3.763 0.063 5 0 "[ . 1 . 2]" 1
1156 1 86 LEU H 1 86 LEU HB3 2.500 . 3.600 3.357 2.528 3.618 0.018 16 0 "[ . 1 . 2]" 1
1157 1 86 LEU HA 1 87 ASP H 2.500 . 3.400 3.534 3.509 3.557 0.157 8 0 "[ . 1 . 2]" 1
1158 1 86 LEU H 1 87 ASP H 2.500 . 2.900 2.727 2.518 2.911 0.011 6 0 "[ . 1 . 2]" 1
1159 1 86 LEU H 1 87 ASP HB3 4.000 . 5.000 4.546 4.383 4.714 . 0 0 "[ . 1 . 2]" 1
1160 1 86 LEU MD2 1 87 ASP H 2.500 . 4.000 3.519 1.726 4.153 0.153 7 0 "[ . 1 . 2]" 1
1161 1 86 LEU HB3 1 87 ASP H 2.500 . 3.700 3.688 2.984 3.947 0.247 13 0 "[ . 1 . 2]" 1
1162 1 86 LEU HA 1 88 LYS H 4.000 . 5.000 4.295 4.017 4.491 . 0 0 "[ . 1 . 2]" 1
1163 1 86 LEU HG 1 88 LYS H 4.000 . 6.000 5.940 4.243 6.609 0.609 11 4 "[ - . 1+ .* *]" 1
1164 1 86 LEU HA 1 89 TYR HB2 4.000 . 6.000 3.109 2.650 4.249 . 0 0 "[ . 1 . 2]" 1
1165 1 86 LEU H 1 89 TYR H 4.000 . 6.000 4.881 4.706 5.096 . 0 0 "[ . 1 . 2]" 1
1166 1 86 LEU HA 1 89 TYR H 3.000 . 3.500 3.432 3.152 3.627 0.127 18 0 "[ . 1 . 2]" 1
1167 1 86 LEU HB3 1 90 GLY H 4.000 . 6.000 5.731 5.193 6.317 0.317 8 0 "[ . 1 . 2]" 1
1168 1 86 LEU HA 1 90 GLY H 4.000 . 5.000 4.574 4.295 4.784 . 0 0 "[ . 1 . 2]" 1
1169 1 86 LEU MD1 1 90 GLY H 4.000 . 5.800 5.837 4.378 6.101 0.301 4 0 "[ . 1 . 2]" 1
1170 1 86 LEU HA 1 91 ILE MD 2.500 . 3.200 2.558 2.232 3.111 . 0 0 "[ . 1 . 2]" 1
1171 1 86 LEU HA 1 91 ILE H 3.000 . 4.100 4.137 4.023 4.283 0.183 13 0 "[ . 1 . 2]" 1
1172 1 86 LEU H 1 91 ILE MD 4.000 . 5.500 4.869 4.619 5.175 . 0 0 "[ . 1 . 2]" 1
1173 1 87 ASP H 1 87 ASP HB3 2.500 . 2.900 2.175 2.135 2.265 . 0 0 "[ . 1 . 2]" 1
1174 1 87 ASP H 1 87 ASP HB2 2.500 . 2.900 2.973 2.932 3.023 0.123 13 0 "[ . 1 . 2]" 1
1175 1 87 ASP HB3 1 88 LYS H 2.500 . 2.900 2.932 2.859 2.983 0.083 2 0 "[ . 1 . 2]" 1
1176 1 87 ASP HA 1 88 LYS H 3.000 . 3.500 3.571 3.533 3.595 0.095 15 0 "[ . 1 . 2]" 1
1177 1 87 ASP H 1 88 LYS H 2.500 . 2.900 2.746 2.552 2.871 . 0 0 "[ . 1 . 2]" 1
1178 1 87 ASP HB2 1 88 LYS H 3.000 . 4.000 4.147 4.101 4.180 0.180 2 0 "[ . 1 . 2]" 1
1179 1 87 ASP H 1 88 LYS HD2 4.000 . 6.000 6.185 6.099 6.363 0.363 18 0 "[ . 1 . 2]" 1
1180 1 87 ASP H 1 89 TYR H 4.000 . 6.000 4.266 4.137 4.376 . 0 0 "[ . 1 . 2]" 1
1181 1 87 ASP HB2 1 89 TYR H 4.000 . 5.700 5.878 5.815 5.981 0.281 20 0 "[ . 1 . 2]" 1
1182 1 87 ASP HA 1 90 GLY H 2.500 . 3.800 2.819 2.677 2.911 . 0 0 "[ . 1 . 2]" 1
1183 1 87 ASP H 1 90 GLY H 3.000 . 4.500 4.518 4.424 4.604 0.104 18 0 "[ . 1 . 2]" 1
1184 1 87 ASP HB3 1 90 GLY H 4.000 . 5.000 5.058 5.017 5.119 0.119 19 0 "[ . 1 . 2]" 1
1185 1 87 ASP HB2 1 90 GLY H 4.000 . 5.000 4.938 4.860 4.991 . 0 0 "[ . 1 . 2]" 1
1186 1 88 LYS HA 1 88 LYS HD3 2.500 . 3.300 3.143 3.014 3.301 0.001 20 0 "[ . 1 . 2]" 1
1187 1 88 LYS HA 1 88 LYS HG3 2.500 . 2.700 2.223 2.182 2.248 . 0 0 "[ . 1 . 2]" 1
1188 1 88 LYS HA 1 88 LYS HG2 2.500 . 3.400 3.519 3.491 3.533 0.133 10 0 "[ . 1 . 2]" 1
1189 1 88 LYS HA 1 88 LYS HE3 4.000 . 6.000 4.943 4.842 4.996 . 0 0 "[ . 1 . 2]" 1
1190 1 88 LYS H 1 88 LYS HB3 2.500 . 3.500 3.474 3.386 3.514 0.014 10 0 "[ . 1 . 2]" 1
1191 1 88 LYS H 1 88 LYS HE3 4.000 . 6.000 4.657 4.493 5.233 . 0 0 "[ . 1 . 2]" 1
1192 1 88 LYS H 1 88 LYS HG2 3.000 . 4.400 4.409 4.332 4.542 0.142 20 0 "[ . 1 . 2]" 1
1193 1 88 LYS H 1 88 LYS HG3 3.000 . 4.100 4.091 4.017 4.202 0.102 20 0 "[ . 1 . 2]" 1
1194 1 88 LYS H 1 88 LYS HB2 2.500 . 2.900 2.179 2.151 2.219 . 0 0 "[ . 1 . 2]" 1
1195 1 88 LYS H 1 88 LYS HD3 3.000 . 3.500 2.563 2.368 2.998 . 0 0 "[ . 1 . 2]" 1
1196 1 88 LYS HE3 1 88 LYS HG2 3.000 . 3.300 2.345 2.213 2.405 . 0 0 "[ . 1 . 2]" 1
1197 1 88 LYS HB3 1 88 LYS HE3 4.000 . 6.000 4.001 3.916 4.095 . 0 0 "[ . 1 . 2]" 1
1198 1 88 LYS HE3 1 88 LYS HG3 2.500 . 3.400 3.574 3.426 3.627 0.227 19 0 "[ . 1 . 2]" 1
1199 1 88 LYS HB2 1 88 LYS HE3 4.000 . 6.000 3.190 3.115 3.497 . 0 0 "[ . 1 . 2]" 1
1200 1 88 LYS HB3 1 88 LYS HD3 4.000 . 6.000 3.539 3.514 3.546 . 0 0 "[ . 1 . 2]" 1
1201 1 88 LYS HB2 1 88 LYS HD3 4.000 . 5.000 2.241 2.180 2.266 . 0 0 "[ . 1 . 2]" 1
1202 1 88 LYS H 1 89 TYR HB2 4.000 . 6.000 4.763 4.526 5.307 . 0 0 "[ . 1 . 2]" 1
1203 1 88 LYS H 1 89 TYR HB3 4.000 . 6.000 5.828 5.243 6.050 0.050 9 0 "[ . 1 . 2]" 1
1204 1 88 LYS H 1 89 TYR H 2.500 . 2.900 2.790 2.678 2.893 . 0 0 "[ . 1 . 2]" 1
1205 1 88 LYS HA 1 89 TYR H 2.500 . 3.500 3.519 3.504 3.530 0.030 4 0 "[ . 1 . 2]" 1
1206 1 88 LYS HG2 1 89 TYR H 4.000 . 5.000 5.054 4.912 5.093 0.093 8 0 "[ . 1 . 2]" 1
1207 1 88 LYS HB3 1 89 TYR H 2.500 . 2.900 2.938 2.733 3.005 0.105 9 0 "[ . 1 . 2]" 1
1208 1 88 LYS HB2 1 89 TYR H 2.500 . 2.900 2.923 2.876 3.014 0.114 18 0 "[ . 1 . 2]" 1
1209 1 88 LYS HE3 1 89 TYR H 4.000 . 5.900 6.100 6.022 6.357 0.457 18 0 "[ . 1 . 2]" 1
1210 1 88 LYS HB2 1 90 GLY H 4.000 . 6.000 4.828 4.751 5.005 . 0 0 "[ . 1 . 2]" 1
1211 1 88 LYS HA 1 90 GLY H 3.000 . 4.600 3.926 3.762 4.278 . 0 0 "[ . 1 . 2]" 1
1212 1 88 LYS H 1 91 ILE MG 4.000 . 6.200 6.127 5.960 6.276 0.076 8 0 "[ . 1 . 2]" 1
1213 1 89 TYR H 1 89 TYR HB2 4.000 . 6.000 2.174 2.102 2.578 . 0 0 "[ . 1 . 2]" 1
1214 1 89 TYR H 1 89 TYR HB3 4.000 . 5.000 3.227 2.639 3.487 . 0 0 "[ . 1 . 2]" 1
1215 1 89 TYR H 1 90 GLY H 2.500 . 2.900 2.437 2.343 2.524 . 0 0 "[ . 1 . 2]" 1
1216 1 89 TYR HA 1 90 GLY H 2.500 . 3.500 3.443 3.408 3.526 0.026 19 0 "[ . 1 . 2]" 1
1217 1 89 TYR HB3 1 90 GLY H 3.000 . 3.500 3.402 2.855 3.618 0.118 16 0 "[ . 1 . 2]" 1
1218 1 89 TYR HB2 1 90 GLY H 3.000 . 4.100 3.518 3.138 4.053 . 0 0 "[ . 1 . 2]" 1
1219 1 89 TYR H 1 91 ILE MD 3.000 . 4.900 4.233 3.840 4.680 . 0 0 "[ . 1 . 2]" 1
1220 1 89 TYR H 1 91 ILE HG13 4.000 . 5.900 5.233 4.606 5.827 . 0 0 "[ . 1 . 2]" 1
1221 1 89 TYR H 1 91 ILE MG 4.000 . 5.400 5.584 5.512 5.733 0.333 8 0 "[ . 1 . 2]" 1
1222 1 89 TYR HB2 1 91 ILE MD 2.500 . 3.200 2.833 2.296 3.273 0.073 18 0 "[ . 1 . 2]" 1
1223 1 89 TYR HB3 1 91 ILE MD 2.500 . 3.200 2.647 2.364 2.982 . 0 0 "[ . 1 . 2]" 1
1224 1 90 GLY HA3 1 91 ILE HA 4.000 . 6.000 4.570 4.554 4.583 . 0 0 "[ . 1 . 2]" 1
1225 1 90 GLY HA3 1 91 ILE H 2.500 . 3.400 3.477 3.450 3.492 0.092 15 0 "[ . 1 . 2]" 1
1226 1 90 GLY HA2 1 91 ILE H 2.500 . 2.900 2.819 2.710 2.914 0.014 19 0 "[ . 1 . 2]" 1
1227 1 90 GLY H 1 91 ILE H 2.500 . 2.900 2.089 1.789 2.243 0.011 19 0 "[ . 1 . 2]" 1
1228 1 90 GLY H 1 91 ILE HB 4.000 . 5.100 3.797 3.496 3.918 . 0 0 "[ . 1 . 2]" 1
1229 1 90 GLY H 1 91 ILE MG 3.000 . 5.000 5.094 4.801 5.173 0.173 14 0 "[ . 1 . 2]" 1
1230 1 90 GLY H 1 91 ILE HG13 4.000 . 5.000 4.558 4.116 4.946 . 0 0 "[ . 1 . 2]" 1
1231 1 90 GLY H 1 91 ILE MD 4.000 . 5.500 4.593 4.360 4.837 . 0 0 "[ . 1 . 2]" 1
1232 1 91 ILE HA 1 91 ILE MD 2.500 . 3.800 3.749 3.727 3.768 . 0 0 "[ . 1 . 2]" 1
1233 1 91 ILE HA 1 91 ILE HG13 2.500 . 4.000 2.446 2.343 2.552 . 0 0 "[ . 1 . 2]" 1
1234 1 91 ILE HA 1 91 ILE MG 2.500 . 3.200 2.755 2.667 2.857 . 0 0 "[ . 1 . 2]" 1
1235 1 91 ILE HA 1 91 ILE HG12 4.000 . 6.000 2.583 2.525 2.697 . 0 0 "[ . 1 . 2]" 1
1236 1 91 ILE H 1 91 ILE HG12 4.000 . 6.000 4.361 4.161 4.468 . 0 0 "[ . 1 . 2]" 1
1237 1 91 ILE H 1 91 ILE HB 2.500 . 2.900 2.153 2.107 2.179 . 0 0 "[ . 1 . 2]" 1
1238 1 91 ILE H 1 91 ILE HG13 3.000 . 4.200 3.304 3.012 3.467 . 0 0 "[ . 1 . 2]" 1
1239 1 91 ILE H 1 91 ILE MD 2.500 . 3.900 3.746 3.614 3.826 . 0 0 "[ . 1 . 2]" 1
1240 1 91 ILE H 1 91 ILE MG 2.500 . 3.400 3.489 3.387 3.576 0.176 4 0 "[ . 1 . 2]" 1
1241 1 91 ILE HB 1 91 ILE MD 3.000 . 3.800 2.273 2.232 2.323 . 0 0 "[ . 1 . 2]" 1
1242 1 91 ILE HA 1 92 GLN HG3 4.000 . 5.000 3.657 3.614 3.681 . 0 0 "[ . 1 . 2]" 1
1243 1 91 ILE HA 1 92 GLN HA 4.000 . 5.000 4.500 4.490 4.522 . 0 0 "[ . 1 . 2]" 1
1244 1 91 ILE HA 1 92 GLN H 2.500 . 2.900 2.241 2.218 2.296 . 0 0 "[ . 1 . 2]" 1
1245 1 91 ILE MD 1 92 GLN H 3.000 . 4.900 4.710 4.612 4.788 . 0 0 "[ . 1 . 2]" 1
1246 1 91 ILE MG 1 92 GLN H 3.000 . 4.000 2.301 2.169 2.492 . 0 0 "[ . 1 . 2]" 1
1247 1 91 ILE HB 1 92 GLN H 4.000 . 5.000 4.229 4.139 4.316 . 0 0 "[ . 1 . 2]" 1
1248 1 91 ILE H 1 92 GLN H 4.000 . 6.000 4.602 4.581 4.636 . 0 0 "[ . 1 . 2]" 1
1249 1 91 ILE MG 1 92 GLN HA 3.000 . 4.600 3.349 3.306 3.403 . 0 0 "[ . 1 . 2]" 1
1250 1 91 ILE MD 1 92 GLN HG3 4.000 . 6.500 6.496 6.472 6.525 0.025 18 0 "[ . 1 . 2]" 1
1251 1 91 ILE HA 1 95 ALA MB 2.500 . 3.200 3.219 3.032 3.338 0.138 2 0 "[ . 1 . 2]" 1
1252 1 91 ILE MG 1 95 ALA MB 2.500 . 3.700 2.017 1.940 2.103 . 0 0 "[ . 1 . 2]" 1
1253 1 91 ILE MG 1 95 ALA HA 4.000 . 5.500 4.465 4.287 4.617 . 0 0 "[ . 1 . 2]" 1
1254 1 91 ILE MD 1 97 LEU MD2 2.500 . 3.700 2.607 2.271 2.944 . 0 0 "[ . 1 . 2]" 1
1255 1 92 GLN H 1 92 GLN HE22 4.000 . 6.000 5.491 5.202 6.108 0.108 13 0 "[ . 1 . 2]" 1
1256 1 92 GLN H 1 92 GLN HG3 2.500 . 2.900 3.006 2.926 3.031 0.131 17 0 "[ . 1 . 2]" 1
1257 1 92 GLN H 1 92 GLN HB3 2.500 . 4.000 3.799 3.772 3.829 . 0 0 "[ . 1 . 2]" 1
1258 1 92 GLN H 1 92 GLN HE21 4.000 . 6.000 4.156 3.537 5.734 . 0 0 "[ . 1 . 2]" 1
1259 1 92 GLN HA 1 92 GLN HG3 2.500 . 2.700 2.776 2.742 2.795 0.095 5 0 "[ . 1 . 2]" 1
1260 1 92 GLN HA 1 92 GLN HE21 4.000 . 6.000 4.839 4.393 5.055 . 0 0 "[ . 1 . 2]" 1
1261 1 92 GLN HA 1 92 GLN HE22 4.000 . 6.000 5.925 5.715 6.036 0.036 13 0 "[ . 1 . 2]" 1
1262 1 92 GLN HE21 1 92 GLN HG3 3.000 . 3.300 2.488 2.250 3.350 0.050 16 0 "[ . 1 . 2]" 1
1263 1 92 GLN HE22 1 92 GLN HG3 4.000 . 5.000 3.608 3.513 3.987 . 0 0 "[ . 1 . 2]" 1
1264 1 92 GLN HB3 1 92 GLN HE22 4.000 . 6.000 4.540 3.766 4.825 . 0 0 "[ . 1 . 2]" 1
1265 1 92 GLN HB3 1 92 GLN HE21 4.000 . 6.000 4.013 2.283 4.585 . 0 0 "[ . 1 . 2]" 1
1266 1 92 GLN H 1 93 ALA MB 4.000 . 6.500 5.483 5.448 5.523 . 0 0 "[ . 1 . 2]" 1
1267 1 92 GLN H 1 93 ALA H 3.000 . 4.300 4.243 4.214 4.283 . 0 0 "[ . 1 . 2]" 1
1268 1 92 GLN HB3 1 93 ALA HA 4.000 . 6.000 4.575 4.559 4.592 . 0 0 "[ . 1 . 2]" 1
1269 1 92 GLN HA 1 93 ALA H 2.500 . 2.900 2.870 2.823 2.909 0.009 15 0 "[ . 1 . 2]" 1
1270 1 92 GLN HG3 1 93 ALA H 3.000 . 5.000 4.498 4.482 4.512 . 0 0 "[ . 1 . 2]" 1
1271 1 92 GLN HB3 1 93 ALA H 2.500 . 2.900 1.795 1.773 1.821 0.027 14 0 "[ . 1 . 2]" 1
1272 1 92 GLN HG3 1 93 ALA MB 4.000 . 5.900 5.999 5.977 6.009 0.109 12 0 "[ . 1 . 2]" 1
1273 1 92 GLN H 1 94 ASP H 4.000 . 6.000 3.620 3.420 3.771 . 0 0 "[ . 1 . 2]" 1
1274 1 92 GLN HG3 1 94 ASP H 4.000 . 5.000 4.909 4.808 4.976 . 0 0 "[ . 1 . 2]" 1
1275 1 92 GLN HB3 1 94 ASP H 2.500 . 2.900 3.000 2.967 3.044 0.144 14 0 "[ . 1 . 2]" 1
1276 1 92 GLN H 1 95 ALA HA 4.000 . 6.000 4.757 4.581 4.884 . 0 0 "[ . 1 . 2]" 1
1277 1 92 GLN H 1 95 ALA MB 2.500 . 3.400 2.490 2.301 2.798 . 0 0 "[ . 1 . 2]" 1
1278 1 92 GLN H 1 97 LEU MD2 4.000 . 6.500 6.361 6.095 6.541 0.041 2 0 "[ . 1 . 2]" 1
1279 1 93 ALA HA 1 94 ASP H 2.500 . 3.300 3.328 3.282 3.358 0.058 13 0 "[ . 1 . 2]" 1
1280 1 93 ALA H 1 94 ASP H 2.500 . 2.900 2.447 2.393 2.505 . 0 0 "[ . 1 . 2]" 1
1281 1 93 ALA MB 1 94 ASP H 2.500 . 3.400 3.220 3.173 3.254 . 0 0 "[ . 1 . 2]" 1
1282 1 93 ALA HA 1 95 ALA H 2.500 . 3.300 3.219 3.160 3.292 . 0 0 "[ . 1 . 2]" 1
1283 1 93 ALA H 1 95 ALA H 4.000 . 5.000 4.199 4.107 4.304 . 0 0 "[ . 1 . 2]" 1
1284 1 93 ALA MB 1 95 ALA H 3.000 . 4.100 4.181 4.137 4.253 0.153 19 0 "[ . 1 . 2]" 1
1285 1 94 ASP H 1 94 ASP HB2 2.500 . 2.900 2.595 2.562 2.635 . 0 0 "[ . 1 . 2]" 1
1286 1 94 ASP H 1 94 ASP HB3 2.500 . 2.900 2.630 2.592 2.670 . 0 0 "[ . 1 . 2]" 1
1287 1 94 ASP HB2 1 95 ALA H 3.000 . 4.200 4.264 4.233 4.323 0.123 19 0 "[ . 1 . 2]" 1
1288 1 94 ASP H 1 95 ALA H 2.500 . 2.900 2.436 2.411 2.466 . 0 0 "[ . 1 . 2]" 1
1289 1 94 ASP HA 1 95 ALA H 2.500 . 2.900 3.148 3.127 3.185 0.285 6 0 "[ . 1 . 2]" 1
1290 1 94 ASP HB3 1 95 ALA H 2.500 . 3.500 3.621 3.593 3.672 0.172 19 0 "[ . 1 . 2]" 1
1291 1 94 ASP H 1 95 ALA HA 3.000 . 4.800 4.891 4.844 4.917 0.117 8 0 "[ . 1 . 2]" 1
1292 1 94 ASP H 1 95 ALA MB 2.500 . 3.800 3.863 3.842 3.899 0.099 6 0 "[ . 1 . 2]" 1
1293 1 95 ALA H 1 96 LYS H 3.000 . 4.500 4.387 4.362 4.490 . 0 0 "[ . 1 . 2]" 1
1294 1 95 ALA HA 1 96 LYS H 2.500 . 2.900 2.191 2.168 2.200 . 0 0 "[ . 1 . 2]" 1
1295 1 95 ALA MB 1 96 LYS H 2.500 . 3.400 3.339 3.209 3.373 . 0 0 "[ . 1 . 2]" 1
1296 1 96 LYS H 1 96 LYS HB2 2.500 . 2.900 2.284 2.252 2.296 . 0 0 "[ . 1 . 2]" 1
1297 1 96 LYS H 1 96 LYS HB3 2.500 . 3.500 3.549 3.534 3.556 0.056 20 0 "[ . 1 . 2]" 1
1298 1 96 LYS H 1 96 LYS HG3 3.000 . 4.200 4.189 4.132 4.216 0.016 16 0 "[ . 1 . 2]" 1
1299 1 96 LYS H 1 96 LYS HD3 2.500 . 2.900 2.831 2.740 2.875 . 0 0 "[ . 1 . 2]" 1
1300 1 96 LYS H 1 96 LYS HE3 2.500 . 2.900 1.881 1.788 1.929 0.012 6 0 "[ . 1 . 2]" 1
1301 1 96 LYS HB3 1 96 LYS HE3 2.500 . 3.600 3.826 3.813 3.832 0.232 7 0 "[ . 1 . 2]" 1
1302 1 96 LYS HA 1 96 LYS HE3 3.000 . 3.800 3.748 3.735 3.762 . 0 0 "[ . 1 . 2]" 1
1303 1 96 LYS HE3 1 96 LYS HG3 4.000 . 6.000 3.854 3.848 3.857 . 0 0 "[ . 1 . 2]" 1
1304 1 96 LYS HB2 1 96 LYS HE3 2.500 . 2.700 2.263 2.249 2.269 . 0 0 "[ . 1 . 2]" 1
1305 1 96 LYS HB2 1 96 LYS HD3 2.500 . 3.100 3.110 3.108 3.114 0.014 19 0 "[ . 1 . 2]" 1
1306 1 96 LYS HB3 1 96 LYS HD3 2.500 . 3.700 3.727 3.723 3.731 0.031 15 0 "[ . 1 . 2]" 1
1307 1 96 LYS HA 1 96 LYS HD3 2.500 . 2.700 2.436 2.409 2.465 . 0 0 "[ . 1 . 2]" 1
1308 1 96 LYS HA 1 96 LYS HG3 2.500 . 2.700 2.387 2.379 2.402 . 0 0 "[ . 1 . 2]" 1
1309 1 96 LYS HA 1 97 LEU H 2.500 . 2.900 2.242 2.220 2.293 . 0 0 "[ . 1 . 2]" 1
1310 1 96 LYS HB3 1 97 LEU H 3.000 . 4.000 3.860 3.754 4.029 0.029 6 0 "[ . 1 . 2]" 1
1311 1 96 LYS HD3 1 97 LEU H 3.000 . 4.600 4.593 4.543 4.609 0.009 18 0 "[ . 1 . 2]" 1
1312 1 96 LYS H 1 97 LEU H 4.000 . 6.000 4.275 4.173 4.362 . 0 0 "[ . 1 . 2]" 1
1313 1 96 LYS HB2 1 97 LEU H 3.000 . 4.600 4.584 4.554 4.625 0.025 6 0 "[ . 1 . 2]" 1
1314 1 96 LYS H 1 97 LEU MD1 4.000 . 6.000 6.105 6.040 6.172 0.172 10 0 "[ . 1 . 2]" 1
1315 1 97 LEU H 1 97 LEU MD2 2.500 . 3.400 3.481 3.439 3.560 0.160 10 0 "[ . 1 . 2]" 1
1316 1 97 LEU H 1 97 LEU HB2 2.500 . 2.900 2.455 2.412 2.484 . 0 0 "[ . 1 . 2]" 1
1317 1 97 LEU H 1 97 LEU HG 2.500 . 2.900 2.314 2.255 2.440 . 0 0 "[ . 1 . 2]" 1
1318 1 97 LEU H 1 97 LEU HB3 2.500 . 3.600 3.629 3.612 3.645 0.045 19 0 "[ . 1 . 2]" 1
1319 1 97 LEU HA 1 97 LEU MD2 2.500 . 3.200 2.109 2.062 2.128 . 0 0 "[ . 1 . 2]" 1
1320 1 97 LEU HA 1 97 LEU MD1 2.500 . 3.900 3.803 3.766 3.814 . 0 0 "[ . 1 . 2]" 1
1321 1 97 LEU HA 1 97 LEU HG 4.000 . 5.000 2.973 2.900 3.019 . 0 0 "[ . 1 . 2]" 1
1322 1 97 LEU HB2 1 97 LEU MD1 2.500 . 3.200 2.330 2.274 2.373 . 0 0 "[ . 1 . 2]" 1
1323 1 97 LEU HB3 1 97 LEU MD1 2.500 . 3.200 2.399 2.349 2.449 . 0 0 "[ . 1 . 2]" 1
1324 1 97 LEU H 1 97 LEU MD1 4.000 . 6.500 3.587 3.523 3.716 . 0 0 "[ . 1 . 2]" 1
1325 1 97 LEU H 1 98 GLN H 4.000 . 5.000 4.504 4.484 4.523 . 0 0 "[ . 1 . 2]" 1
1326 1 97 LEU HA 1 98 GLN H 2.500 . 2.900 2.398 2.356 2.423 . 0 0 "[ . 1 . 2]" 1
1327 1 97 LEU MD2 1 98 GLN H 2.500 . 3.400 3.175 3.029 3.265 . 0 0 "[ . 1 . 2]" 1
1328 1 97 LEU HB2 1 98 GLN H 2.500 . 3.300 3.371 3.348 3.396 0.096 6 0 "[ . 1 . 2]" 1
1329 1 97 LEU HG 1 98 GLN H 3.000 . 4.700 4.664 4.603 4.703 0.003 1 0 "[ . 1 . 2]" 1
1330 1 97 LEU HB3 1 98 GLN H 2.500 . 2.900 2.200 2.150 2.246 . 0 0 "[ . 1 . 2]" 1
1331 1 97 LEU HA 1 98 GLN HG3 4.000 . 6.000 3.075 2.955 3.152 . 0 0 "[ . 1 . 2]" 1
1332 1 98 GLN HA 1 98 GLN HG2 4.000 . 5.000 2.851 2.759 2.944 . 0 0 "[ . 1 . 2]" 1
1333 1 98 GLN HA 1 98 GLN HG3 3.000 . 3.300 3.148 3.099 3.216 . 0 0 "[ . 1 . 2]" 1
1334 1 98 GLN HA 1 98 GLN HE22 4.000 . 6.000 5.914 5.643 6.110 0.110 7 0 "[ . 1 . 2]" 1
1335 1 98 GLN H 1 98 GLN HB3 2.500 . 3.700 3.917 3.906 3.932 0.232 19 0 "[ . 1 . 2]" 1
1336 1 98 GLN H 1 98 GLN HB2 2.500 . 3.500 3.020 2.991 3.072 . 0 0 "[ . 1 . 2]" 1
1337 1 98 GLN H 1 98 GLN HG3 2.500 . 2.900 2.656 2.558 2.712 . 0 0 "[ . 1 . 2]" 1
1338 1 98 GLN H 1 98 GLN HE22 4.000 . 6.000 5.880 5.412 6.233 0.233 15 0 "[ . 1 . 2]" 1
1339 1 98 GLN H 1 98 GLN HG2 2.500 . 3.800 3.906 3.797 3.992 0.192 18 0 "[ . 1 . 2]" 1
1340 1 98 GLN HE21 1 98 GLN HG2 3.000 . 3.300 3.050 2.419 3.485 0.185 17 0 "[ . 1 . 2]" 1
1341 1 98 GLN HE22 1 98 GLN HG2 4.000 . 5.000 3.848 3.558 4.054 . 0 0 "[ . 1 . 2]" 1
1342 1 98 GLN HE22 1 98 GLN HG3 4.000 . 5.000 3.831 3.499 4.111 . 0 0 "[ . 1 . 2]" 1
1343 1 98 GLN HB2 1 98 GLN HE22 4.000 . 6.000 3.776 3.544 3.938 . 0 0 "[ . 1 . 2]" 1
1344 1 98 GLN HB3 1 98 GLN HE21 4.000 . 5.000 3.145 1.989 4.305 . 0 0 "[ . 1 . 2]" 1
1345 1 98 GLN HB2 1 98 GLN HE21 3.000 . 3.300 3.009 2.501 3.420 0.120 15 0 "[ . 1 . 2]" 1
1346 1 98 GLN HB3 1 98 GLN HE22 4.000 . 5.000 4.121 3.570 4.688 . 0 0 "[ . 1 . 2]" 1
1347 1 98 GLN HA 1 98 GLN HE21 4.000 . 6.000 4.736 4.201 5.181 . 0 0 "[ . 1 . 2]" 1
1348 1 98 GLN HB3 1 99 PHE H 4.000 . 5.000 2.416 2.350 2.534 . 0 0 "[ . 1 . 2]" 1
1349 1 98 GLN HB2 1 99 PHE H 2.500 . 3.600 3.034 2.962 3.112 . 0 0 "[ . 1 . 2]" 1
1350 1 98 GLN HA 1 99 PHE H 2.500 . 2.900 2.474 2.443 2.508 . 0 0 "[ . 1 . 2]" 1
1351 1 98 GLN H 1 99 PHE H 4.000 . 6.000 4.316 4.301 4.335 . 0 0 "[ . 1 . 2]" 1
1352 1 98 GLN HA 1 99 PHE HA 3.000 . 4.500 4.509 4.488 4.522 0.022 4 0 "[ . 1 . 2]" 1
1353 1 98 GLN HA 1 99 PHE HB2 4.000 . 5.000 4.219 4.109 4.497 . 0 0 "[ . 1 . 2]" 1
1354 1 98 GLN HB2 1 99 PHE HA 3.000 . 4.300 4.396 4.372 4.430 0.130 11 0 "[ . 1 . 2]" 1
1355 1 98 GLN H 1 99 PHE HA 4.000 . 5.000 4.677 4.624 4.721 . 0 0 "[ . 1 . 2]" 1
1356 1 98 GLN HG2 1 99 PHE H 4.000 . 6.000 4.465 4.413 4.598 . 0 0 "[ . 1 . 2]" 1
1357 1 98 GLN HG3 1 99 PHE H 4.000 . 6.000 4.808 4.773 4.856 . 0 0 "[ . 1 . 2]" 1
1358 1 99 PHE H 1 99 PHE HB3 3.000 . 3.500 2.856 2.591 3.169 . 0 0 "[ . 1 . 2]" 1
1359 1 99 PHE H 1 99 PHE HB2 2.500 . 2.900 2.918 2.668 3.193 0.293 10 0 "[ . 1 . 2]" 1
1360 1 99 PHE HA 1 100 THR HB 4.000 . 6.000 4.576 4.101 4.751 . 0 0 "[ . 1 . 2]" 1
1361 1 99 PHE HB2 1 100 THR HB 4.000 . 6.000 6.166 5.805 6.272 0.272 14 0 "[ . 1 . 2]" 1
1362 1 99 PHE H 1 100 THR MG 4.000 . 5.500 4.136 3.915 5.215 . 0 0 "[ . 1 . 2]" 1
1363 1 99 PHE HA 1 100 THR H 2.500 . 2.900 2.243 2.205 2.307 . 0 0 "[ . 1 . 2]" 1
1364 1 99 PHE HB2 1 100 THR H 3.000 . 4.000 4.098 3.828 4.251 0.251 1 0 "[ . 1 . 2]" 1
1365 1 99 PHE HB3 1 100 THR H 3.000 . 3.500 3.587 3.232 3.814 0.314 3 0 "[ . 1 . 2]" 1
1366 1 99 PHE H 1 100 THR H 4.000 . 6.000 4.338 4.317 4.357 . 0 0 "[ . 1 . 2]" 1
1367 1 100 THR H 1 100 THR HB 4.000 . 5.000 3.610 3.220 3.734 . 0 0 "[ . 1 . 2]" 1
1368 1 100 THR HA 1 100 THR MG 2.500 . 3.200 3.151 3.139 3.165 . 0 0 "[ . 1 . 2]" 1
1369 1 100 THR H 1 100 THR MG 2.500 . 3.400 2.449 2.348 2.886 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 47
_Distance_constraint_stats_list.Viol_count 511
_Distance_constraint_stats_list.Viol_total 1293.665
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0875
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0688
_Distance_constraint_stats_list.Viol_average_violations_only 0.1266
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 25 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 7.833 0.279 20 0 "[ . 1 . 2]"
1 28 SER 4.182 0.246 6 0 "[ . 1 . 2]"
1 29 VAL 6.007 0.325 14 0 "[ . 1 . 2]"
1 30 HIS 10.660 0.290 13 0 "[ . 1 . 2]"
1 31 VAL 5.337 0.221 11 0 "[ . 1 . 2]"
1 36 ARG 5.337 0.221 11 0 "[ . 1 . 2]"
1 38 VAL 6.007 0.325 14 0 "[ . 1 . 2]"
1 40 LEU 7.833 0.279 20 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 3.061 0.219 20 0 "[ . 1 . 2]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 2.421 0.155 12 0 "[ . 1 . 2]"
1 50 GLY 3.096 0.219 20 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 MET 2.328 0.147 11 0 "[ . 1 . 2]"
1 53 LEU 3.474 0.155 12 0 "[ . 1 . 2]"
1 54 LYS 0.035 0.025 1 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 2.328 0.147 11 0 "[ . 1 . 2]"
1 57 GLU 1.052 0.073 9 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 2.033 0.110 13 0 "[ . 1 . 2]"
1 71 TRP 13.023 0.340 10 0 "[ . 1 . 2]"
1 72 TRP 0.544 0.079 11 0 "[ . 1 . 2]"
1 77 THR 0.544 0.079 11 0 "[ . 1 . 2]"
1 79 LEU 2.033 0.110 13 0 "[ . 1 . 2]"
1 84 TRP 1.878 0.189 13 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 4.287 0.306 4 0 "[ . 1 . 2]"
1 88 LYS 1.878 0.189 13 0 "[ . 1 . 2]"
1 89 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ILE 4.287 0.306 4 0 "[ . 1 . 2]"
1 98 GLN 6.275 0.246 6 0 "[ . 1 . 2]"
1 99 PHE 13.023 0.340 10 0 "[ . 1 . 2]"
1 100 THR 8.567 0.290 13 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 25 TRP O 1 42 VAL N 3.500 3.000 4.500 3.808 3.666 3.861 . 0 0 "[ . 1 . 2]" 2
2 1 25 TRP O 1 42 VAL H 2.500 . 3.500 3.332 3.225 3.399 . 0 0 "[ . 1 . 2]" 2
3 1 25 TRP N 1 42 VAL O 3.500 3.000 4.500 3.990 3.927 4.030 . 0 0 "[ . 1 . 2]" 2
4 1 25 TRP H 1 42 VAL O 2.500 . 3.500 3.222 3.146 3.291 . 0 0 "[ . 1 . 2]" 2
5 1 27 LEU O 1 40 LEU N 3.500 3.000 4.500 2.897 2.829 2.926 0.171 19 0 "[ . 1 . 2]" 2
6 1 27 LEU O 1 40 LEU H 2.500 . 3.500 2.217 2.145 2.250 . 0 0 "[ . 1 . 2]" 2
7 1 27 LEU N 1 40 LEU O 3.500 3.000 4.500 2.782 2.721 2.832 0.279 20 0 "[ . 1 . 2]" 2
8 1 27 LEU H 1 40 LEU O 2.500 . 3.500 1.929 1.898 1.960 0.102 15 0 "[ . 1 . 2]" 2
9 1 29 VAL N 1 38 VAL O 3.500 3.000 4.600 2.713 2.675 2.734 0.325 14 0 "[ . 1 . 2]" 2
10 1 29 VAL H 1 38 VAL O 2.500 . 3.500 1.987 1.967 2.008 0.033 10 0 "[ . 1 . 2]" 2
11 1 29 VAL O 1 38 VAL N 3.500 3.000 4.500 3.295 3.235 3.376 . 0 0 "[ . 1 . 2]" 2
12 1 29 VAL O 1 38 VAL H 2.500 . 3.500 2.489 2.409 2.561 . 0 0 "[ . 1 . 2]" 2
13 1 31 VAL N 1 36 ARG O 3.500 3.000 4.500 2.803 2.779 2.825 0.221 11 0 "[ . 1 . 2]" 2
14 1 31 VAL H 1 36 ARG O 2.500 . 3.500 1.930 1.899 1.949 0.101 11 0 "[ . 1 . 2]" 2
15 1 31 VAL O 1 36 ARG N 3.500 3.000 4.500 3.399 3.284 3.630 . 0 0 "[ . 1 . 2]" 2
16 1 31 VAL O 1 36 ARG H 2.500 . 3.500 2.819 2.623 3.391 . 0 0 "[ . 1 . 2]" 2
17 1 72 TRP O 1 77 THR N 3.500 3.000 4.500 3.543 3.414 3.749 . 0 0 "[ . 1 . 2]" 2
18 1 72 TRP O 1 77 THR H 2.500 . 3.500 2.761 2.608 2.958 . 0 0 "[ . 1 . 2]" 2
19 1 72 TRP N 1 77 THR O 3.500 3.000 4.500 3.032 2.921 3.461 0.079 11 0 "[ . 1 . 2]" 2
20 1 72 TRP H 1 77 THR O 2.500 . 3.500 2.106 1.977 2.622 0.023 4 0 "[ . 1 . 2]" 2
21 1 70 LEU O 1 79 LEU N 3.500 3.000 4.500 3.395 3.260 3.555 . 0 0 "[ . 1 . 2]" 2
22 1 70 LEU O 1 79 LEU H 2.500 . 3.500 2.602 2.436 2.783 . 0 0 "[ . 1 . 2]" 2
23 1 70 LEU N 1 79 LEU O 3.500 3.000 4.500 4.536 4.482 4.575 0.075 13 0 "[ . 1 . 2]" 2
24 1 70 LEU H 1 79 LEU O 2.500 . 3.500 3.565 3.512 3.610 0.110 13 0 "[ . 1 . 2]" 2
25 1 71 TRP N 1 99 PHE O 3.500 3.000 4.500 4.674 4.605 4.718 0.218 20 0 "[ . 1 . 2]" 2
26 1 71 TRP H 1 99 PHE O 2.500 . 3.600 3.735 3.677 3.765 0.165 15 0 "[ . 1 . 2]" 2
27 1 71 TRP O 1 99 PHE N 3.500 3.000 4.600 4.678 4.633 4.742 0.142 16 0 "[ . 1 . 2]" 2
28 1 71 TRP O 1 99 PHE H 2.500 . 4.700 4.964 4.927 5.040 0.340 10 0 "[ . 1 . 2]" 2
29 1 28 SER O 1 98 GLN N 3.500 3.000 4.500 4.519 4.489 4.603 0.103 6 0 "[ . 1 . 2]" 2
30 1 28 SER O 1 98 GLN H 2.500 . 4.800 4.989 4.959 5.046 0.246 6 0 "[ . 1 . 2]" 2
31 1 30 HIS O 1 100 THR N 3.500 3.000 4.700 4.955 4.928 4.990 0.290 13 0 "[ . 1 . 2]" 2
32 1 30 HIS O 1 100 THR H 2.500 . 5.300 5.473 5.407 5.498 0.198 18 0 "[ . 1 . 2]" 2
33 1 30 HIS N 1 98 GLN O 3.500 3.000 4.500 4.527 4.514 4.565 0.065 6 0 "[ . 1 . 2]" 2
34 1 30 HIS H 1 98 GLN O 2.500 . 3.500 3.577 3.562 3.617 0.117 6 0 "[ . 1 . 2]" 2
35 1 46 VAL O 1 50 GLY N 3.000 2.500 5.500 5.653 5.571 5.719 0.219 20 0 "[ . 1 . 2]" 2
36 1 47 HIS O 1 51 VAL H 2.000 . 3.000 1.656 1.597 1.763 . 0 0 "[ . 1 . 2]" 2
37 1 48 ILE O 1 52 MET N 3.000 2.500 4.000 3.244 3.170 3.317 . 0 0 "[ . 1 . 2]" 2
38 1 49 GLY O 1 53 LEU H 2.000 . 3.000 3.121 3.092 3.155 0.155 12 0 "[ . 1 . 2]" 2
39 1 50 GLY O 1 54 LYS N 3.000 2.500 4.000 2.585 2.475 2.729 0.025 1 0 "[ . 1 . 2]" 2
40 1 51 VAL O 1 55 LEU H 2.000 . 3.000 2.200 1.964 2.395 . 0 0 "[ . 1 . 2]" 2
41 1 52 MET O 1 56 VAL N 3.000 2.500 4.000 2.384 2.353 2.441 0.147 11 0 "[ . 1 . 2]" 2
42 1 53 LEU O 1 57 GLU H 2.000 . 3.000 1.447 1.427 1.466 0.073 9 0 "[ . 1 . 2]" 2
43 1 54 LYS O 1 58 LYS H 2.000 . 3.000 2.286 2.189 2.405 . 0 0 "[ . 1 . 2]" 2
44 1 84 TRP O 1 88 LYS N 3.000 2.500 5.000 5.094 5.001 5.189 0.189 13 0 "[ . 1 . 2]" 2
45 1 85 THR O 1 89 TYR H 2.000 . 3.000 2.235 2.099 2.421 . 0 0 "[ . 1 . 2]" 2
46 1 86 LEU O 1 90 GLY N 3.000 2.500 4.000 2.894 2.797 3.018 . 0 0 "[ . 1 . 2]" 2
47 1 87 ASP O 1 91 ILE H 2.000 . 3.100 3.314 3.240 3.406 0.306 4 0 "[ . 1 . 2]" 2
stop_
save_
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