NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472944 |
1x9v   |
4257 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x9v
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 852
_Distance_constraint_stats_list.Viol_count 1130
_Distance_constraint_stats_list.Viol_total 997.785
_Distance_constraint_stats_list.Viol_max 1.413
_Distance_constraint_stats_list.Viol_rms 0.0691
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0883
_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 1 ASP 0.127 0.083 10 0 "[ . 1]"
1 2 THR 0.130 0.083 10 0 "[ . 1]"
1 3 TRP 3.569 0.187 10 0 "[ . 1]"
1 4 THR 3.174 0.187 10 0 "[ . 1]"
1 5 GLY 1.348 0.166 10 0 "[ . 1]"
1 6 VAL 1.874 0.118 7 0 "[ . 1]"
1 7 GLU 0.944 0.168 6 0 "[ . 1]"
1 8 ALA 1.820 0.111 8 0 "[ . 1]"
1 9 LEU 2.338 0.290 5 0 "[ . 1]"
1 10 ILE 25.477 1.413 7 10 [*****-+***]
1 11 ARG 5.120 0.172 2 0 "[ . 1]"
1 12 ILE 4.395 0.172 2 0 "[ . 1]"
1 13 LEU 23.680 1.413 7 10 [*****-+***]
1 14 GLN 1.181 0.189 4 0 "[ . 1]"
1 15 GLN 0.931 0.112 8 0 "[ . 1]"
1 16 LEU 1.815 0.170 9 0 "[ . 1]"
1 17 LEU 1.430 0.115 5 0 "[ . 1]"
1 18 PHE 1.124 0.172 8 0 "[ . 1]"
1 19 ILE 2.083 0.222 7 0 "[ . 1]"
1 20 HIS 1.375 0.120 10 0 "[ . 1]"
1 21 PHE 0.346 0.047 4 0 "[ . 1]"
1 22 ARG 1.366 0.190 6 0 "[ . 1]"
1 23 ILE 1.010 0.158 3 0 "[ . 1]"
1 24 GLY 1.458 0.190 6 0 "[ . 1]"
1 25 CYS 1.034 0.201 3 0 "[ . 1]"
1 26 ARG 2.524 0.201 3 0 "[ . 1]"
1 27 HIS 1.358 0.167 7 0 "[ . 1]"
1 28 SER 0.129 0.093 3 0 "[ . 1]"
1 29 ARG 0.001 0.001 9 0 "[ . 1]"
1 30 ILE 0.377 0.060 3 0 "[ . 1]"
1 31 GLY 0.139 0.057 3 0 "[ . 1]"
1 32 ILE 0.249 0.064 2 0 "[ . 1]"
1 33 ILE 0.515 0.172 8 0 "[ . 1]"
1 34 GLN 0.428 0.172 8 0 "[ . 1]"
1 36 ARG 0.000 0.000 . 0 "[ . 1]"
1 37 ARG 0.032 0.030 4 0 "[ . 1]"
1 38 THR 0.004 0.002 2 0 "[ . 1]"
1 39 ARG 0.002 0.002 2 0 "[ . 1]"
1 40 ASN 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 ALA 0.000 0.000 . 0 "[ . 1]"
1 43 SER 0.000 0.000 . 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
2 1 ASP 0.126 0.082 10 0 "[ . 1]"
2 2 THR 0.129 0.082 10 0 "[ . 1]"
2 3 TRP 3.190 0.187 10 0 "[ . 1]"
2 4 THR 3.080 0.187 10 0 "[ . 1]"
2 5 GLY 1.330 0.165 10 0 "[ . 1]"
2 6 VAL 1.875 0.118 7 0 "[ . 1]"
2 7 GLU 0.934 0.169 6 0 "[ . 1]"
2 8 ALA 1.785 0.109 8 0 "[ . 1]"
2 9 LEU 2.355 0.290 5 0 "[ . 1]"
2 10 ILE 25.775 1.412 7 10 [*****-+***]
2 11 ARG 5.127 0.172 2 0 "[ . 1]"
2 12 ILE 4.211 0.172 2 0 "[ . 1]"
2 13 LEU 23.333 1.412 7 10 [*****-+***]
2 14 GLN 1.241 0.190 4 0 "[ . 1]"
2 15 GLN 0.939 0.111 8 0 "[ . 1]"
2 16 LEU 1.607 0.171 9 0 "[ . 1]"
2 17 LEU 1.681 0.114 1 0 "[ . 1]"
2 18 PHE 1.130 0.172 8 0 "[ . 1]"
2 19 ILE 2.083 0.222 7 0 "[ . 1]"
2 20 HIS 1.429 0.121 10 0 "[ . 1]"
2 21 PHE 0.377 0.046 4 0 "[ . 1]"
2 22 ARG 1.359 0.190 6 0 "[ . 1]"
2 23 ILE 1.008 0.157 3 0 "[ . 1]"
2 24 GLY 1.450 0.190 6 0 "[ . 1]"
2 25 CYS 1.037 0.201 3 0 "[ . 1]"
2 26 ARG 2.525 0.201 3 0 "[ . 1]"
2 27 HIS 1.350 0.166 7 0 "[ . 1]"
2 28 SER 0.125 0.092 3 0 "[ . 1]"
2 29 ARG 0.001 0.001 9 0 "[ . 1]"
2 30 ILE 0.377 0.060 3 0 "[ . 1]"
2 31 GLY 0.140 0.057 3 0 "[ . 1]"
2 32 ILE 0.260 0.066 2 0 "[ . 1]"
2 33 ILE 0.521 0.171 8 0 "[ . 1]"
2 34 GLN 0.429 0.171 8 0 "[ . 1]"
2 36 ARG 0.000 0.000 . 0 "[ . 1]"
2 37 ARG 0.030 0.029 4 0 "[ . 1]"
2 38 THR 0.024 0.022 4 0 "[ . 1]"
2 39 ARG 0.001 0.001 2 0 "[ . 1]"
2 40 ASN 0.000 0.000 . 0 "[ . 1]"
2 41 GLY 0.000 0.000 . 0 "[ . 1]"
2 42 ALA 0.000 0.000 . 0 "[ . 1]"
2 43 SER 0.000 0.000 . 0 "[ . 1]"
2 44 LYS 0.000 0.000 . 0 "[ . 1]"
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 1 ASP HA 1 2 THR H 2.910 . 3.490 3.299 2.949 3.573 0.083 10 0 "[ . 1]" 1
2 1 1 ASP HA 1 2 THR HG1 5.180 . 6.220 4.886 4.461 5.682 . 0 0 "[ . 1]" 1
3 1 1 ASP HA 1 4 THR H 5.250 . 6.300 4.368 3.535 5.257 . 0 0 "[ . 1]" 1
4 1 1 ASP HA 1 5 GLY H 2.820 . 3.370 3.281 3.106 3.384 0.014 4 0 "[ . 1]" 1
5 1 1 ASP QB 1 2 THR H 3.200 . 3.840 2.819 1.874 3.718 . 0 0 "[ . 1]" 1
6 1 1 ASP QB 1 2 THR HG1 4.820 . 5.780 3.971 2.721 5.006 . 0 0 "[ . 1]" 1
7 1 2 THR H 1 2 THR HA 2.960 . 3.550 2.729 2.361 2.900 . 0 0 "[ . 1]" 1
8 1 2 THR H 1 2 THR HB 3.220 . 3.860 3.338 2.507 3.740 . 0 0 "[ . 1]" 1
9 1 2 THR H 1 3 TRP H 3.780 . 4.540 3.294 2.770 4.548 0.008 7 0 "[ . 1]" 1
10 1 2 THR H 1 4 THR H 4.720 . 5.660 4.369 3.931 5.575 . 0 0 "[ . 1]" 1
11 1 2 THR H 1 5 GLY H 6.000 . 7.200 4.508 4.134 4.889 . 0 0 "[ . 1]" 1
12 1 2 THR HA 1 3 TRP H 2.990 . 3.590 3.552 3.328 3.591 0.001 6 0 "[ . 1]" 1
13 1 2 THR HB 1 3 TRP H 3.130 . 3.760 2.420 1.885 3.756 . 0 0 "[ . 1]" 1
14 1 2 THR HB 1 3 TRP HD1 3.780 . 4.540 4.153 3.525 4.548 0.008 8 0 "[ . 1]" 1
15 1 3 TRP H 1 3 TRP QB 2.770 . 3.320 2.274 2.125 2.370 . 0 0 "[ . 1]" 1
16 1 3 TRP H 1 3 TRP HD1 2.990 . 3.590 3.509 3.258 3.610 0.020 8 0 "[ . 1]" 1
17 1 3 TRP HA 1 3 TRP HE3 2.610 . 3.130 2.387 1.794 3.143 0.013 6 0 "[ . 1]" 1
18 1 3 TRP HA 1 4 THR H 3.310 . 3.970 3.538 3.492 3.566 . 0 0 "[ . 1]" 1
19 1 3 TRP HA 1 5 GLY H 4.180 . 5.020 3.570 3.433 3.702 . 0 0 "[ . 1]" 1
20 1 3 TRP HA 1 6 VAL H 3.310 . 3.970 3.326 2.809 3.975 0.005 5 0 "[ . 1]" 1
21 1 3 TRP HA 1 6 VAL QG 3.450 . 4.140 2.711 2.167 2.918 . 0 0 "[ . 1]" 1
22 1 3 TRP QB 1 3 TRP HD1 2.700 . 3.240 2.488 2.459 2.504 . 0 0 "[ . 1]" 1
23 1 3 TRP QB 1 3 TRP HE3 3.000 . 3.600 2.911 2.817 3.000 . 0 0 "[ . 1]" 1
24 1 3 TRP QB 1 3 TRP HZ3 4.210 . 5.050 5.081 5.021 5.140 0.090 3 0 "[ . 1]" 1
25 1 3 TRP QB 1 4 THR H 2.810 . 3.370 2.702 2.284 3.258 . 0 0 "[ . 1]" 1
26 1 3 TRP QB 1 5 GLY H 4.550 . 5.460 4.390 4.115 4.701 . 0 0 "[ . 1]" 1
27 1 3 TRP QB 1 6 VAL H 5.170 . 6.200 4.530 4.199 4.925 . 0 0 "[ . 1]" 1
28 1 3 TRP HD1 1 4 THR H 3.830 . 4.600 4.215 3.301 4.787 0.187 10 0 "[ . 1]" 1
29 1 3 TRP HD1 1 4 THR HA 6.000 . 7.200 5.963 4.407 7.124 . 0 0 "[ . 1]" 1
30 1 3 TRP HD1 1 4 THR HG1 5.260 . 6.310 5.234 3.500 6.388 0.078 10 0 "[ . 1]" 1
31 1 3 TRP HE3 1 4 THR H 4.260 . 5.110 5.178 5.059 5.255 0.145 3 0 "[ . 1]" 1
32 1 3 TRP HE3 1 5 GLY H 4.370 . 5.240 5.278 5.104 5.406 0.166 10 0 "[ . 1]" 1
33 1 3 TRP HE3 1 6 VAL H 4.030 . 4.840 3.938 3.588 4.572 . 0 0 "[ . 1]" 1
34 1 3 TRP HE3 1 6 VAL HA 4.160 . 4.990 5.048 5.024 5.099 0.109 10 0 "[ . 1]" 1
35 1 3 TRP HE3 1 6 VAL HB 3.030 . 3.640 2.167 2.078 2.370 . 0 0 "[ . 1]" 1
36 1 3 TRP HE3 2 17 LEU HA 3.630 . 4.360 4.391 4.358 4.409 0.049 1 0 "[ . 1]" 1
37 1 3 TRP HE3 2 20 HIS QB . . 5.350 4.183 3.086 4.819 . 0 0 "[ . 1]" 1
38 1 3 TRP HH2 1 3 TRP HZ3 2.470 . 2.960 2.479 2.474 2.484 . 0 0 "[ . 1]" 1
39 1 3 TRP HH2 1 6 VAL HB 4.950 . 5.940 5.142 3.857 5.992 0.052 2 0 "[ . 1]" 1
40 1 3 TRP HH2 1 6 VAL QG 5.240 . 6.290 3.871 3.496 4.176 . 0 0 "[ . 1]" 1
41 1 3 TRP HH2 2 20 HIS QB . . 4.740 3.217 2.234 4.261 . 0 0 "[ . 1]" 1
42 1 3 TRP HZ3 1 6 VAL HB 4.070 . 4.880 3.080 2.079 3.733 . 0 0 "[ . 1]" 1
43 1 3 TRP HZ3 1 6 VAL QG 3.690 . 4.430 2.161 1.838 2.398 . 0 0 "[ . 1]" 1
44 1 3 TRP HZ3 2 17 LEU HA 3.330 . 4.000 2.973 2.549 3.575 . 0 0 "[ . 1]" 1
45 1 3 TRP HZ3 2 20 HIS QB 3.960 . 4.750 3.574 2.893 3.937 . 0 0 "[ . 1]" 1
46 1 4 THR H 1 4 THR HB 3.540 . 4.250 2.686 2.355 3.459 . 0 0 "[ . 1]" 1
47 1 4 THR H 1 4 THR HG1 3.630 . 4.360 2.707 2.083 3.104 . 0 0 "[ . 1]" 1
48 1 4 THR H 1 7 GLU QG 4.910 . 5.890 5.169 4.010 5.925 0.035 6 0 "[ . 1]" 1
49 1 4 THR HA 1 5 GLY H 2.820 . 3.380 3.462 3.447 3.487 0.107 6 0 "[ . 1]" 1
50 1 4 THR HA 1 6 VAL H 3.500 . 4.200 3.751 3.349 4.199 . 0 0 "[ . 1]" 1
51 1 4 THR HA 1 7 GLU H 3.340 . 4.010 3.450 2.657 3.970 . 0 0 "[ . 1]" 1
52 1 4 THR HA 1 7 GLU QB 3.340 . 4.010 2.860 1.947 3.913 . 0 0 "[ . 1]" 1
53 1 4 THR HA 1 7 GLU QG 4.630 . 5.560 3.300 1.781 4.800 0.019 9 0 "[ . 1]" 1
54 1 4 THR HA 1 8 ALA H 3.010 . 3.610 3.663 3.624 3.697 0.087 10 0 "[ . 1]" 1
55 1 4 THR HB 1 5 GLY H 3.200 . 3.840 3.010 2.873 3.451 . 0 0 "[ . 1]" 1
56 1 4 THR HB 1 6 VAL H 4.060 . 4.870 4.878 4.796 4.929 0.059 7 0 "[ . 1]" 1
57 1 4 THR HG1 1 6 VAL H 5.700 . 6.840 4.625 4.176 4.968 . 0 0 "[ . 1]" 1
58 1 4 THR HG1 1 7 GLU H 5.860 . 7.030 4.674 3.740 5.259 . 0 0 "[ . 1]" 1
59 1 5 GLY H 1 5 GLY QA 2.260 . 2.710 2.282 2.243 2.339 . 0 0 "[ . 1]" 1
60 1 5 GLY QA 1 6 VAL H 2.720 . 3.260 2.857 2.730 2.930 . 0 0 "[ . 1]" 1
61 1 5 GLY QA 1 8 ALA MB 3.670 . 4.400 3.442 3.103 4.273 . 0 0 "[ . 1]" 1
62 1 5 GLY QA 1 9 LEU H 4.670 . 5.600 4.328 3.627 4.549 . 0 0 "[ . 1]" 1
63 1 6 VAL H 1 6 VAL HB 2.730 . 3.280 2.414 2.171 2.803 . 0 0 "[ . 1]" 1
64 1 6 VAL H 1 6 VAL QG 3.000 . 3.600 2.444 2.022 2.970 . 0 0 "[ . 1]" 1
65 1 6 VAL H 1 7 GLU H 3.220 . 3.860 2.315 2.156 2.408 . 0 0 "[ . 1]" 1
66 1 6 VAL H 1 7 GLU HA 4.200 . 5.040 4.977 4.668 5.063 0.023 4 0 "[ . 1]" 1
67 1 6 VAL H 1 7 GLU QB 4.400 . 5.280 3.952 3.653 4.466 . 0 0 "[ . 1]" 1
68 1 6 VAL H 1 7 GLU QG 5.110 . 6.130 4.595 3.109 5.689 . 0 0 "[ . 1]" 1
69 1 6 VAL H 1 8 ALA MB 4.830 . 5.800 4.642 4.022 4.930 . 0 0 "[ . 1]" 1
70 1 6 VAL H 1 9 LEU HG 4.120 . 4.940 4.959 4.758 5.058 0.118 7 0 "[ . 1]" 1
71 1 6 VAL H 1 10 ILE QG 4.420 . 5.300 5.185 4.946 5.351 0.051 1 0 "[ . 1]" 1
72 1 6 VAL HA 1 6 VAL QG 2.930 . 3.520 2.074 2.019 2.142 . 0 0 "[ . 1]" 1
73 1 6 VAL HA 1 8 ALA H 3.930 . 4.720 4.665 4.329 4.769 0.049 8 0 "[ . 1]" 1
74 1 6 VAL HA 1 9 LEU H 3.570 . 4.280 3.360 3.209 4.019 . 0 0 "[ . 1]" 1
75 1 6 VAL HA 1 9 LEU QB 2.810 . 3.370 2.151 1.849 3.041 . 0 0 "[ . 1]" 1
76 1 6 VAL HA 1 10 ILE H 3.380 . 4.060 4.012 3.622 4.120 0.060 6 0 "[ . 1]" 1
77 1 6 VAL HB 1 7 GLU H 3.010 . 3.610 2.438 2.105 3.550 . 0 0 "[ . 1]" 1
78 1 6 VAL QG 1 7 GLU H 3.460 . 4.150 3.062 2.694 3.619 . 0 0 "[ . 1]" 1
79 1 6 VAL QG 1 9 LEU H 4.920 . 5.900 4.114 3.888 4.811 . 0 0 "[ . 1]" 1
80 1 6 VAL QG 1 10 ILE H 4.570 . 5.480 3.944 3.667 4.715 . 0 0 "[ . 1]" 1
81 1 7 GLU H 1 7 GLU QB 2.910 . 3.490 2.206 1.974 2.769 . 0 0 "[ . 1]" 1
82 1 7 GLU H 1 7 GLU QG 3.090 . 3.710 2.925 2.024 3.878 0.168 6 0 "[ . 1]" 1
83 1 7 GLU H 1 8 ALA H 3.350 . 4.020 2.849 1.926 3.128 . 0 0 "[ . 1]" 1
84 1 7 GLU H 1 9 LEU H 4.590 . 5.510 3.748 2.948 3.988 . 0 0 "[ . 1]" 1
85 1 7 GLU H 1 10 ILE MD 4.500 . 5.400 4.075 2.783 5.425 0.025 6 0 "[ . 1]" 1
86 1 7 GLU HA 1 7 GLU QG 3.500 . 4.200 2.705 2.033 3.393 . 0 0 "[ . 1]" 1
87 1 7 GLU HA 1 8 ALA H 3.200 . 3.840 3.584 3.547 3.595 . 0 0 "[ . 1]" 1
88 1 7 GLU HA 1 9 LEU H 4.470 . 5.360 3.977 3.858 4.222 . 0 0 "[ . 1]" 1
89 1 7 GLU HA 1 10 ILE H 3.610 . 4.330 3.345 3.166 3.739 . 0 0 "[ . 1]" 1
90 1 7 GLU HA 1 10 ILE HB 3.020 . 3.620 2.542 2.224 3.017 . 0 0 "[ . 1]" 1
91 1 7 GLU HA 1 10 ILE MD 3.670 . 4.400 2.669 1.813 4.116 . 0 0 "[ . 1]" 1
92 1 7 GLU HA 1 10 ILE MG 4.660 . 5.590 3.751 3.461 4.171 . 0 0 "[ . 1]" 1
93 1 7 GLU HA 1 11 ARG H 3.600 . 4.320 4.278 4.041 4.397 0.077 8 0 "[ . 1]" 1
94 1 7 GLU QB 1 8 ALA H 3.090 . 3.710 2.647 2.150 3.394 . 0 0 "[ . 1]" 1
95 1 7 GLU QB 1 8 ALA MB 5.290 . 6.350 3.813 3.437 4.307 . 0 0 "[ . 1]" 1
96 1 7 GLU QG 1 8 ALA H 3.900 . 4.680 3.076 1.779 4.246 0.021 1 0 "[ . 1]" 1
97 1 7 GLU QG 1 10 ILE MD 4.660 . 5.590 4.253 2.614 5.699 0.109 6 0 "[ . 1]" 1
98 1 8 ALA H 1 8 ALA HA 2.730 . 3.280 2.904 2.865 2.964 . 0 0 "[ . 1]" 1
99 1 8 ALA H 1 8 ALA MB 2.770 . 3.320 2.085 1.919 2.224 . 0 0 "[ . 1]" 1
100 1 8 ALA H 1 9 LEU H 3.190 . 3.810 2.522 2.259 2.658 . 0 0 "[ . 1]" 1
101 1 8 ALA H 1 10 ILE H 3.310 . 3.970 3.892 3.664 3.984 0.014 4 0 "[ . 1]" 1
102 1 8 ALA HA 1 9 LEU H 3.490 . 4.190 3.438 3.357 3.489 . 0 0 "[ . 1]" 1
103 1 8 ALA HA 1 11 ARG H 3.610 . 4.330 3.472 3.408 3.537 . 0 0 "[ . 1]" 1
104 1 8 ALA HA 1 11 ARG QB 3.110 . 3.730 3.802 3.770 3.841 0.111 8 0 "[ . 1]" 1
105 1 8 ALA HA 1 11 ARG HE 4.150 . 4.980 3.551 1.946 4.528 . 0 0 "[ . 1]" 1
106 1 8 ALA HA 1 12 ILE H 3.030 . 3.640 3.675 3.657 3.701 0.061 10 0 "[ . 1]" 1
107 1 8 ALA MB 1 9 LEU H 3.380 . 4.060 2.964 2.812 3.132 . 0 0 "[ . 1]" 1
108 1 8 ALA MB 1 11 ARG H 4.010 . 4.810 4.716 4.663 4.827 0.017 5 0 "[ . 1]" 1
109 1 8 ALA MB 1 12 ILE MD 3.490 . 4.190 3.306 2.547 4.218 0.028 8 0 "[ . 1]" 1
110 1 9 LEU H 1 9 LEU QB 2.750 . 3.300 2.139 2.056 2.238 . 0 0 "[ . 1]" 1
111 1 9 LEU H 1 9 LEU QD 3.410 . 4.090 3.403 3.156 3.626 . 0 0 "[ . 1]" 1
112 1 9 LEU H 1 9 LEU HG 2.850 . 3.420 2.947 2.493 3.585 0.165 5 0 "[ . 1]" 1
113 1 9 LEU H 1 10 ILE H 3.160 . 3.790 2.112 2.016 2.167 . 0 0 "[ . 1]" 1
114 1 9 LEU H 1 10 ILE HA 3.940 . 4.730 4.848 4.787 4.885 0.155 6 0 "[ . 1]" 1
115 1 9 LEU H 1 10 ILE HB 3.410 . 4.090 4.060 3.919 4.113 0.023 9 0 "[ . 1]" 1
116 1 9 LEU H 1 12 ILE HB 3.800 . 4.560 4.556 4.417 4.657 0.097 9 0 "[ . 1]" 1
117 1 9 LEU HA 1 9 LEU QD 3.150 . 3.780 1.933 1.807 2.609 . 0 0 "[ . 1]" 1
118 1 9 LEU HA 1 9 LEU HG 2.560 . 3.070 2.938 2.797 3.360 0.290 5 0 "[ . 1]" 1
119 1 9 LEU HA 1 10 ILE HA 4.680 . 5.620 4.804 4.759 4.857 . 0 0 "[ . 1]" 1
120 1 9 LEU HA 1 12 ILE H 3.150 . 3.780 3.435 3.269 3.631 . 0 0 "[ . 1]" 1
121 1 9 LEU HA 1 12 ILE HB 2.340 . 2.810 2.250 1.940 2.498 . 0 0 "[ . 1]" 1
122 1 9 LEU HA 1 13 LEU H 4.530 . 5.440 4.022 3.596 4.466 . 0 0 "[ . 1]" 1
123 1 10 ILE H 1 10 ILE HB 2.360 . 2.830 2.233 2.134 2.328 . 0 0 "[ . 1]" 1
124 1 10 ILE H 1 10 ILE MD 3.480 . 4.180 3.475 2.130 3.990 . 0 0 "[ . 1]" 1
125 1 10 ILE H 1 11 ARG H 2.970 . 3.570 2.391 2.298 2.551 . 0 0 "[ . 1]" 1
126 1 10 ILE H 1 12 ILE H 3.200 . 3.840 3.884 3.843 3.903 0.063 6 0 "[ . 1]" 1
127 1 10 ILE H 1 13 LEU H 4.560 . 5.470 4.890 4.723 5.105 . 0 0 "[ . 1]" 1
128 1 10 ILE HA 1 10 ILE HB 2.650 . 3.180 3.031 3.016 3.040 . 0 0 "[ . 1]" 1
129 1 10 ILE HA 1 10 ILE MD 3.230 . 3.880 3.340 1.784 3.864 0.016 9 0 "[ . 1]" 1
130 1 10 ILE HA 1 10 ILE QG 2.880 . 3.460 2.398 2.176 3.074 . 0 0 "[ . 1]" 1
131 1 10 ILE HA 1 10 ILE MG 3.340 . 4.010 2.468 2.374 2.608 . 0 0 "[ . 1]" 1
132 1 10 ILE HA 1 11 ARG H 3.500 . 4.200 3.526 3.504 3.547 . 0 0 "[ . 1]" 1
133 1 10 ILE HA 1 12 ILE H 4.200 . 5.040 4.837 4.761 4.902 . 0 0 "[ . 1]" 1
134 1 10 ILE HA 1 13 LEU H 3.330 . 4.000 4.142 3.913 4.347 0.347 7 0 "[ . 1]" 1
135 1 10 ILE HA 1 13 LEU HA 4.410 . 5.290 6.383 5.950 6.703 1.413 7 10 [******+**-] 1
136 1 10 ILE HA 1 13 LEU QB 2.720 . 3.260 3.577 3.036 3.979 0.719 7 3 "[ * .-+ 1]" 1
137 1 10 ILE HA 1 13 LEU HG 4.010 . 4.810 4.679 4.015 5.664 0.854 4 1 "[ +. 1]" 1
138 1 10 ILE HA 2 13 LEU HG 4.010 . 4.810 4.581 4.265 4.845 0.035 9 0 "[ . 1]" 1
139 1 10 ILE HB 1 10 ILE MG 2.410 . 2.890 2.144 2.123 2.152 . 0 0 "[ . 1]" 1
140 1 10 ILE MD 1 11 ARG H 4.380 . 5.260 4.514 3.935 4.866 . 0 0 "[ . 1]" 1
141 1 10 ILE MD 2 14 GLN HA 3.820 . 4.580 2.459 1.822 3.729 . 0 0 "[ . 1]" 1
142 1 10 ILE MD 2 14 GLN QE 6.000 . 7.200 4.887 4.112 5.392 . 0 0 "[ . 1]" 1
143 1 10 ILE QG 1 10 ILE MG 3.120 . 3.740 2.331 2.044 2.628 . 0 0 "[ . 1]" 1
144 1 10 ILE QG 1 11 ARG H 3.310 . 3.970 4.064 3.949 4.124 0.154 5 0 "[ . 1]" 1
145 1 10 ILE QG 1 13 LEU H 4.490 . 5.390 5.877 5.621 6.368 0.978 9 4 "[ * .-* +1]" 1
146 1 10 ILE MG 1 11 ARG H 3.520 . 4.220 3.269 2.858 3.538 . 0 0 "[ . 1]" 1
147 1 11 ARG H 1 11 ARG HA 2.690 . 3.230 2.939 2.919 2.955 . 0 0 "[ . 1]" 1
148 1 11 ARG H 1 11 ARG QB 2.390 . 2.870 2.518 2.501 2.547 . 0 0 "[ . 1]" 1
149 1 11 ARG H 1 11 ARG QD 3.830 . 4.600 3.654 3.367 3.908 . 0 0 "[ . 1]" 1
150 1 11 ARG H 1 11 ARG HE 4.340 . 5.210 4.188 2.845 5.079 . 0 0 "[ . 1]" 1
151 1 11 ARG H 1 11 ARG QG 3.430 . 4.120 1.830 1.814 1.849 . 0 0 "[ . 1]" 1
152 1 11 ARG H 1 12 ILE H 2.910 . 3.490 2.430 2.364 2.505 . 0 0 "[ . 1]" 1
153 1 11 ARG H 1 12 ILE HA 4.180 . 5.020 5.079 5.036 5.128 0.108 5 0 "[ . 1]" 1
154 1 11 ARG H 1 12 ILE MG 5.140 . 6.170 5.322 5.143 5.488 . 0 0 "[ . 1]" 1
155 1 11 ARG H 1 13 LEU H 3.980 . 4.780 4.018 3.828 4.189 . 0 0 "[ . 1]" 1
156 1 11 ARG H 1 14 GLN H 4.400 . 5.280 4.706 4.559 4.895 . 0 0 "[ . 1]" 1
157 1 11 ARG H 1 14 GLN QG 4.190 . 5.030 4.731 4.500 5.044 0.014 6 0 "[ . 1]" 1
158 1 11 ARG HA 1 11 ARG QB 2.650 . 3.180 2.203 2.200 2.203 . 0 0 "[ . 1]" 1
159 1 11 ARG HA 1 11 ARG QD 4.200 . 5.040 4.494 4.387 4.569 . 0 0 "[ . 1]" 1
160 1 11 ARG HA 1 11 ARG HE 4.370 . 5.240 4.675 4.394 5.167 . 0 0 "[ . 1]" 1
161 1 11 ARG HA 1 11 ARG QG 3.550 . 4.260 3.310 3.298 3.321 . 0 0 "[ . 1]" 1
162 1 11 ARG HA 1 13 LEU H 3.420 . 4.100 4.098 3.822 4.148 0.048 1 0 "[ . 1]" 1
163 1 11 ARG HA 1 14 GLN H 3.210 . 3.850 3.085 2.943 3.246 . 0 0 "[ . 1]" 1
164 1 11 ARG HA 1 14 GLN QB 2.660 . 3.190 2.697 2.076 3.215 0.025 3 0 "[ . 1]" 1
165 1 11 ARG QB 1 11 ARG QD 2.800 . 3.360 2.298 2.159 2.402 . 0 0 "[ . 1]" 1
166 1 11 ARG QB 1 11 ARG HE 3.580 . 4.300 2.309 1.962 2.863 . 0 0 "[ . 1]" 1
167 1 11 ARG QB 1 12 ILE H 2.750 . 3.300 3.286 3.267 3.305 0.005 9 0 "[ . 1]" 1
168 1 11 ARG QB 1 12 ILE HA 3.480 . 4.180 4.314 4.288 4.352 0.172 2 0 "[ . 1]" 1
169 1 11 ARG QB 1 15 GLN H 3.380 . 4.060 4.126 4.085 4.172 0.112 8 0 "[ . 1]" 1
170 1 11 ARG QD 1 12 ILE H 3.940 . 4.730 3.708 3.676 3.786 . 0 0 "[ . 1]" 1
171 1 11 ARG QG 1 12 ILE HB 2.820 . 3.380 3.324 3.220 3.441 0.061 8 0 "[ . 1]" 1
172 1 11 ARG QG 1 13 LEU H 3.900 . 4.680 4.126 4.002 4.220 . 0 0 "[ . 1]" 1
173 1 11 ARG QG 1 14 GLN H 4.120 . 4.940 4.914 4.777 5.035 0.095 10 0 "[ . 1]" 1
174 1 11 ARG QG 1 15 GLN QE 5.140 . 6.170 5.090 3.914 6.073 . 0 0 "[ . 1]" 1
175 1 12 ILE H 1 12 ILE HA 2.800 . 3.360 2.782 2.750 2.826 . 0 0 "[ . 1]" 1
176 1 12 ILE H 1 12 ILE HB 2.570 . 3.080 2.112 2.033 2.225 . 0 0 "[ . 1]" 1
177 1 12 ILE H 1 12 ILE MD 3.250 . 3.900 2.580 1.904 3.768 . 0 0 "[ . 1]" 1
178 1 12 ILE H 1 13 LEU H 2.990 . 3.590 2.848 2.744 2.959 . 0 0 "[ . 1]" 1
179 1 12 ILE H 1 14 GLN H 3.840 . 4.610 4.323 4.180 4.549 . 0 0 "[ . 1]" 1
180 1 12 ILE HA 1 12 ILE MD 3.870 . 4.640 1.968 1.810 2.137 . 0 0 "[ . 1]" 1
181 1 12 ILE HA 1 12 ILE QG 2.990 . 3.590 2.512 2.411 2.630 . 0 0 "[ . 1]" 1
182 1 12 ILE HA 1 12 ILE MG 3.340 . 4.010 2.714 2.545 2.823 . 0 0 "[ . 1]" 1
183 1 12 ILE HA 1 13 LEU H 3.450 . 4.140 3.550 3.509 3.570 . 0 0 "[ . 1]" 1
184 1 12 ILE HA 1 14 GLN H 4.620 . 5.540 4.707 4.506 4.891 . 0 0 "[ . 1]" 1
185 1 12 ILE HA 1 15 GLN H 3.000 . 3.600 3.574 3.449 3.623 0.023 9 0 "[ . 1]" 1
186 1 12 ILE HA 1 15 GLN QB 3.210 . 3.850 2.451 2.256 2.719 . 0 0 "[ . 1]" 1
187 1 12 ILE HA 1 15 GLN QG 3.980 . 4.780 4.194 3.652 4.452 . 0 0 "[ . 1]" 1
188 1 12 ILE HA 1 16 LEU H 3.510 . 4.210 3.889 3.609 4.147 . 0 0 "[ . 1]" 1
189 1 12 ILE HB 1 12 ILE MD 3.070 . 3.680 2.689 2.334 3.181 . 0 0 "[ . 1]" 1
190 1 12 ILE HB 1 13 LEU H 2.970 . 3.560 2.877 2.697 3.061 . 0 0 "[ . 1]" 1
191 1 12 ILE MD 1 16 LEU H 4.390 . 5.270 5.094 4.482 5.314 0.044 5 0 "[ . 1]" 1
192 1 12 ILE QG 1 12 ILE MG 3.130 . 3.760 2.161 2.074 2.377 . 0 0 "[ . 1]" 1
193 1 12 ILE QG 1 15 GLN QE 4.990 . 5.990 3.952 2.940 5.520 . 0 0 "[ . 1]" 1
194 1 12 ILE MG 1 13 LEU H 3.470 . 4.160 2.863 2.596 3.200 . 0 0 "[ . 1]" 1
195 1 12 ILE MG 1 13 LEU HA 3.140 . 3.770 3.161 3.045 3.351 . 0 0 "[ . 1]" 1
196 1 12 ILE MG 1 14 GLN H 4.050 . 4.860 4.788 4.630 4.923 0.063 1 0 "[ . 1]" 1
197 1 12 ILE MG 1 16 LEU H 3.250 . 3.900 3.996 3.953 4.070 0.170 9 0 "[ . 1]" 1
198 1 13 LEU H 1 13 LEU HA 2.930 . 3.520 2.901 2.873 2.931 . 0 0 "[ . 1]" 1
199 1 13 LEU H 1 13 LEU QB 2.530 . 3.040 2.260 1.925 2.495 . 0 0 "[ . 1]" 1
200 1 13 LEU H 1 13 LEU HG 3.050 . 3.660 2.329 1.836 3.616 . 0 0 "[ . 1]" 1
201 1 13 LEU H 1 14 GLN H 3.180 . 3.820 2.583 2.422 2.725 . 0 0 "[ . 1]" 1
202 1 13 LEU H 1 14 GLN HA 4.490 . 5.390 5.257 5.131 5.364 . 0 0 "[ . 1]" 1
203 1 13 LEU H 1 14 GLN QG 4.020 . 4.820 4.475 4.185 4.726 . 0 0 "[ . 1]" 1
204 1 13 LEU H 1 15 GLN H 3.480 . 4.180 3.842 3.685 4.009 . 0 0 "[ . 1]" 1
205 1 13 LEU H 2 10 ILE QG 4.490 . 5.390 4.396 3.775 4.916 . 0 0 "[ . 1]" 1
206 1 13 LEU HA 1 14 GLN H 3.640 . 4.370 3.574 3.551 3.602 . 0 0 "[ . 1]" 1
207 1 13 LEU HA 1 16 LEU H 3.280 . 3.940 3.460 3.169 3.741 . 0 0 "[ . 1]" 1
208 1 13 LEU HA 1 16 LEU QB 3.700 . 4.440 2.710 2.285 2.999 . 0 0 "[ . 1]" 1
209 1 13 LEU HA 1 17 LEU H 3.410 . 4.090 3.915 3.508 4.103 0.013 2 0 "[ . 1]" 1
210 1 13 LEU HA 2 10 ILE HA 4.410 . 5.290 5.320 5.195 5.379 0.089 8 0 "[ . 1]" 1
211 1 13 LEU QB 1 14 GLN H 3.010 . 3.610 2.429 2.310 2.590 . 0 0 "[ . 1]" 1
212 1 13 LEU QB 2 10 ILE HA 2.720 . 3.260 2.492 2.399 2.614 . 0 0 "[ . 1]" 1
213 1 13 LEU HG 1 14 GLN H 3.720 . 4.460 4.255 3.869 4.649 0.189 4 0 "[ . 1]" 1
214 1 13 LEU HG 1 16 LEU H 4.750 . 5.700 5.698 5.441 5.786 0.086 9 0 "[ . 1]" 1
215 1 14 GLN H 1 14 GLN QB 2.950 . 3.540 2.070 1.975 2.218 . 0 0 "[ . 1]" 1
216 1 14 GLN H 1 14 GLN QE 4.870 . 5.840 4.241 3.306 4.893 . 0 0 "[ . 1]" 1
217 1 14 GLN H 1 14 GLN QG 2.810 . 3.370 2.800 2.465 3.058 . 0 0 "[ . 1]" 1
218 1 14 GLN H 1 15 GLN H 2.950 . 3.540 2.598 2.423 2.729 . 0 0 "[ . 1]" 1
219 1 14 GLN H 1 16 LEU H 4.060 . 4.870 4.269 4.053 4.436 . 0 0 "[ . 1]" 1
220 1 14 GLN H 1 17 LEU H 4.720 . 5.660 4.644 4.405 5.053 . 0 0 "[ . 1]" 1
221 1 14 GLN HA 1 14 GLN QE 4.400 . 5.280 3.923 2.576 4.615 . 0 0 "[ . 1]" 1
222 1 14 GLN HA 1 14 GLN QG 3.000 . 3.600 3.299 3.184 3.475 . 0 0 "[ . 1]" 1
223 1 14 GLN HA 1 15 GLN H 3.730 . 4.480 3.550 3.518 3.570 . 0 0 "[ . 1]" 1
224 1 14 GLN HA 1 17 LEU H 3.170 . 3.800 3.420 3.206 3.799 . 0 0 "[ . 1]" 1
225 1 14 GLN HA 1 17 LEU QB 3.540 . 4.250 2.304 2.079 2.675 . 0 0 "[ . 1]" 1
226 1 14 GLN HA 1 17 LEU HG 3.340 . 4.010 3.606 2.978 4.039 0.029 3 0 "[ . 1]" 1
227 1 14 GLN HA 1 18 PHE H 3.290 . 3.950 3.984 3.954 4.038 0.088 8 0 "[ . 1]" 1
228 1 14 GLN QB 1 15 GLN H 2.890 . 3.470 3.280 3.148 3.414 . 0 0 "[ . 1]" 1
229 1 14 GLN QG 1 15 GLN HA 2.700 . 3.240 3.060 2.900 3.268 0.028 4 0 "[ . 1]" 1
230 1 15 GLN H 1 15 GLN QB 2.680 . 3.220 2.105 2.014 2.173 . 0 0 "[ . 1]" 1
231 1 15 GLN H 1 15 GLN QG 3.260 . 3.910 3.843 3.698 3.942 0.032 3 0 "[ . 1]" 1
232 1 15 GLN H 1 16 LEU H 3.090 . 3.710 2.775 2.676 2.870 . 0 0 "[ . 1]" 1
233 1 15 GLN HA 1 15 GLN QG 3.740 . 4.490 2.306 2.077 2.540 . 0 0 "[ . 1]" 1
234 1 15 GLN HA 1 18 PHE H 3.260 . 3.910 3.641 3.331 3.780 . 0 0 "[ . 1]" 1
235 1 15 GLN HA 1 18 PHE QB 3.980 . 4.780 2.782 2.286 3.215 . 0 0 "[ . 1]" 1
236 1 15 GLN HA 1 18 PHE QD 3.500 . 4.200 3.328 1.840 4.139 . 0 0 "[ . 1]" 1
237 1 15 GLN HA 1 19 ILE H 4.030 . 4.840 4.767 4.571 4.871 0.031 8 0 "[ . 1]" 1
238 1 15 GLN QB 1 16 LEU H 3.220 . 3.870 2.275 2.156 2.407 . 0 0 "[ . 1]" 1
239 1 15 GLN QB 1 17 LEU H 4.040 . 4.850 4.595 4.343 4.872 0.022 1 0 "[ . 1]" 1
240 1 15 GLN QE 1 16 LEU HA 4.250 . 5.100 4.359 3.783 5.055 . 0 0 "[ . 1]" 1
241 1 15 GLN QG 1 16 LEU H 4.300 . 5.160 3.750 3.018 4.289 . 0 0 "[ . 1]" 1
242 1 16 LEU H 1 16 LEU HA 2.690 . 3.230 2.859 2.819 2.907 . 0 0 "[ . 1]" 1
243 1 16 LEU H 1 16 LEU QB 2.920 . 3.500 2.018 1.932 2.143 . 0 0 "[ . 1]" 1
244 1 16 LEU HA 1 19 ILE H 2.910 . 3.490 3.428 3.312 3.508 0.018 9 0 "[ . 1]" 1
245 1 16 LEU HA 1 19 ILE HB 2.340 . 2.810 2.684 2.308 2.852 0.042 9 0 "[ . 1]" 1
246 1 16 LEU HA 1 19 ILE QG 3.440 . 4.130 3.563 2.641 4.154 0.024 10 0 "[ . 1]" 1
247 1 17 LEU H 1 17 LEU HA 2.880 . 3.460 2.821 2.759 2.911 . 0 0 "[ . 1]" 1
248 1 17 LEU H 1 17 LEU QB 2.430 . 2.920 1.967 1.926 2.185 . 0 0 "[ . 1]" 1
249 1 17 LEU H 1 17 LEU QD 2.950 . 3.540 3.316 1.785 3.548 0.015 1 0 "[ . 1]" 1
250 1 17 LEU H 1 17 LEU HG 2.730 . 3.280 3.290 3.090 3.394 0.114 1 0 "[ . 1]" 1
251 1 17 LEU H 1 20 HIS H 4.020 . 4.820 4.633 4.437 4.758 . 0 0 "[ . 1]" 1
252 1 17 LEU H 1 20 HIS QB 3.750 . 4.500 4.485 4.170 4.583 0.083 10 0 "[ . 1]" 1
253 1 17 LEU HA 1 17 LEU HG 2.940 . 3.530 3.096 2.503 3.645 0.115 5 0 "[ . 1]" 1
254 1 17 LEU HA 1 20 HIS H 3.100 . 3.720 3.172 2.966 3.324 . 0 0 "[ . 1]" 1
255 1 17 LEU HA 1 20 HIS QB 3.310 . 3.970 2.235 2.088 2.433 . 0 0 "[ . 1]" 1
256 1 17 LEU HA 1 20 HIS HD2 4.080 . 4.900 4.047 3.720 4.856 . 0 0 "[ . 1]" 1
257 1 17 LEU HA 1 21 PHE H 3.860 . 4.630 4.357 3.807 4.677 0.047 4 0 "[ . 1]" 1
258 1 17 LEU HA 1 21 PHE QD 4.370 . 5.240 5.036 4.586 5.268 0.028 4 0 "[ . 1]" 1
259 1 17 LEU HA 2 3 TRP HE3 4.870 . 5.840 4.380 4.359 4.407 . 0 0 "[ . 1]" 1
260 1 17 LEU QD 1 20 HIS HD2 4.370 . 5.240 2.894 2.126 4.519 . 0 0 "[ . 1]" 1
261 1 17 LEU QD 2 3 TRP HZ3 3.680 . 4.420 2.651 1.743 3.316 0.057 1 0 "[ . 1]" 1
262 1 18 PHE H 1 18 PHE HA 2.860 . 3.430 2.830 2.761 2.907 . 0 0 "[ . 1]" 1
263 1 18 PHE H 1 18 PHE QB 2.650 . 3.180 1.996 1.901 2.139 . 0 0 "[ . 1]" 1
264 1 18 PHE H 1 18 PHE QD 3.360 . 4.030 2.703 1.984 3.360 . 0 0 "[ . 1]" 1
265 1 18 PHE H 1 18 PHE QE 4.340 . 5.210 4.942 4.370 5.382 0.172 8 0 "[ . 1]" 1
266 1 18 PHE HA 1 18 PHE QD 2.490 . 2.990 2.849 2.491 3.124 0.134 8 0 "[ . 1]" 1
267 1 18 PHE HA 1 19 ILE H 2.990 . 3.590 3.512 3.437 3.580 . 0 0 "[ . 1]" 1
268 1 18 PHE HA 1 21 PHE H 3.490 . 4.190 3.975 3.616 4.208 0.018 5 0 "[ . 1]" 1
269 1 18 PHE QB 1 18 PHE QE 4.120 . 4.940 3.968 3.953 3.988 . 0 0 "[ . 1]" 1
270 1 18 PHE QB 1 19 ILE H 2.760 . 3.310 2.889 2.265 3.325 0.015 8 0 "[ . 1]" 1
271 1 18 PHE QB 1 19 ILE HA 4.400 . 5.280 4.212 3.755 4.874 . 0 0 "[ . 1]" 1
272 1 19 ILE H 1 19 ILE HA 2.890 . 3.470 2.928 2.812 2.973 . 0 0 "[ . 1]" 1
273 1 19 ILE H 1 19 ILE HB 2.600 . 3.120 2.215 2.068 2.433 . 0 0 "[ . 1]" 1
274 1 19 ILE H 1 19 ILE MD 3.310 . 3.970 2.788 1.825 3.973 0.003 5 0 "[ . 1]" 1
275 1 19 ILE H 1 20 HIS H 3.730 . 4.480 2.420 2.187 2.772 . 0 0 "[ . 1]" 1
276 1 19 ILE H 1 21 PHE H 3.710 . 4.450 4.270 3.850 4.481 0.031 10 0 "[ . 1]" 1
277 1 19 ILE H 1 22 ARG H 4.090 . 4.910 4.832 4.617 4.944 0.034 8 0 "[ . 1]" 1
278 1 19 ILE H 1 23 ILE H 5.710 . 6.850 6.182 5.643 6.457 . 0 0 "[ . 1]" 1
279 1 19 ILE HA 1 19 ILE MD 3.010 . 3.440 2.548 1.793 3.574 0.134 5 0 "[ . 1]" 1
280 1 19 ILE HA 1 19 ILE QG 2.910 . 3.490 2.474 2.090 3.031 . 0 0 "[ . 1]" 1
281 1 19 ILE HA 1 21 PHE QE 4.520 . 5.420 4.808 4.445 5.139 . 0 0 "[ . 1]" 1
282 1 19 ILE HA 1 22 ARG H 3.580 . 4.300 3.307 3.203 3.398 . 0 0 "[ . 1]" 1
283 1 19 ILE HA 1 22 ARG QB 3.030 . 3.640 3.011 1.853 3.812 0.172 4 0 "[ . 1]" 1
284 1 19 ILE HA 1 22 ARG QD 4.100 . 4.920 3.714 1.837 4.941 0.021 7 0 "[ . 1]" 1
285 1 19 ILE HA 1 23 ILE H 3.670 . 4.400 4.238 3.618 4.417 0.017 3 0 "[ . 1]" 1
286 1 19 ILE HB 1 19 ILE MD 2.450 . 2.940 2.519 1.901 3.162 0.222 7 0 "[ . 1]" 1
287 1 19 ILE HB 1 20 HIS H 2.950 . 3.540 2.810 2.294 3.299 . 0 0 "[ . 1]" 1
288 1 19 ILE MD 1 20 HIS H 3.710 . 4.450 4.224 3.811 4.484 0.034 10 0 "[ . 1]" 1
289 1 19 ILE QG 1 20 HIS H 3.590 . 4.310 4.275 3.953 4.415 0.105 8 0 "[ . 1]" 1
290 1 20 HIS H 1 20 HIS QB 2.680 . 3.220 2.118 1.993 2.180 . 0 0 "[ . 1]" 1
291 1 20 HIS HA 1 20 HIS HD2 4.010 . 4.810 4.776 4.306 4.930 0.120 10 0 "[ . 1]" 1
292 1 20 HIS HA 1 20 HIS HE1 4.660 . 5.590 4.971 4.754 5.591 0.001 9 0 "[ . 1]" 1
293 1 20 HIS HA 1 21 PHE H 3.020 . 3.620 3.578 3.541 3.595 . 0 0 "[ . 1]" 1
294 1 20 HIS HA 1 23 ILE H 4.200 . 5.040 3.768 3.270 4.164 . 0 0 "[ . 1]" 1
295 1 20 HIS HA 1 23 ILE HB 3.620 . 4.340 3.622 2.321 4.347 0.007 7 0 "[ . 1]" 1
296 1 20 HIS QB 1 21 PHE H 3.100 . 3.720 2.567 2.379 2.899 . 0 0 "[ . 1]" 1
297 1 20 HIS HD1 2 3 TRP QB 4.150 . 4.980 3.443 2.458 4.014 . 0 0 "[ . 1]" 1
298 1 20 HIS HD2 1 21 PHE H 3.700 . 4.440 3.862 2.328 4.450 0.010 5 0 "[ . 1]" 1
299 1 20 HIS HD2 1 21 PHE HA 4.070 . 4.880 4.363 2.662 4.923 0.043 5 0 "[ . 1]" 1
300 1 21 PHE H 1 21 PHE QB 2.780 . 3.340 2.205 1.997 2.362 . 0 0 "[ . 1]" 1
301 1 21 PHE H 1 21 PHE QD 3.280 . 3.850 2.586 2.133 2.964 . 0 0 "[ . 1]" 1
302 1 21 PHE H 1 21 PHE QE 4.360 . 5.230 4.541 4.244 5.022 . 0 0 "[ . 1]" 1
303 1 21 PHE H 1 22 ARG H 3.310 . 3.970 2.532 2.317 2.726 . 0 0 "[ . 1]" 1
304 1 21 PHE H 1 23 ILE H 4.500 . 5.400 4.021 3.724 4.431 . 0 0 "[ . 1]" 1
305 1 21 PHE HA 1 23 ILE H 3.810 . 4.570 3.979 3.607 4.493 . 0 0 "[ . 1]" 1
306 1 21 PHE HA 1 24 GLY H 4.110 . 4.930 3.618 2.968 4.313 . 0 0 "[ . 1]" 1
307 1 21 PHE QB 1 21 PHE QD 2.840 . 3.410 2.152 2.148 2.156 . 0 0 "[ . 1]" 1
308 1 21 PHE QB 1 23 ILE H 4.590 . 5.510 4.951 4.630 5.306 . 0 0 "[ . 1]" 1
309 1 21 PHE QD 1 22 ARG H 3.940 . 4.730 3.295 2.911 3.666 . 0 0 "[ . 1]" 1
310 1 21 PHE QD 1 22 ARG HA 3.280 . 3.940 3.250 2.713 3.782 . 0 0 "[ . 1]" 1
311 1 21 PHE QD 1 23 ILE H 4.300 . 5.160 4.911 4.458 5.194 0.034 7 0 "[ . 1]" 1
312 1 21 PHE QE 1 22 ARG HA 3.890 . 4.670 3.606 3.112 4.264 . 0 0 "[ . 1]" 1
313 1 22 ARG H 1 22 ARG HA 2.810 . 3.370 2.945 2.859 2.998 . 0 0 "[ . 1]" 1
314 1 22 ARG H 1 22 ARG QB 2.740 . 3.290 2.283 1.903 2.711 . 0 0 "[ . 1]" 1
315 1 22 ARG H 1 22 ARG QG 2.980 . 3.580 2.762 1.813 3.587 0.007 7 0 "[ . 1]" 1
316 1 22 ARG H 1 23 ILE H 3.420 . 4.100 2.394 2.024 2.681 . 0 0 "[ . 1]" 1
317 1 22 ARG HA 1 22 ARG QD 3.040 . 3.650 3.229 2.290 3.821 0.171 4 0 "[ . 1]" 1
318 1 22 ARG HA 1 22 ARG HE 4.120 . 4.940 4.618 3.799 4.972 0.032 10 0 "[ . 1]" 1
319 1 22 ARG HA 1 23 ILE H 3.040 . 3.650 3.387 3.172 3.546 . 0 0 "[ . 1]" 1
320 1 22 ARG HA 1 25 CYS H 4.110 . 4.930 4.664 4.282 4.955 0.025 3 0 "[ . 1]" 1
321 1 22 ARG HA 1 25 CYS QB 3.820 . 4.580 4.303 3.648 4.613 0.033 7 0 "[ . 1]" 1
322 1 22 ARG QB 1 22 ARG QD 3.190 . 3.830 2.204 1.912 2.465 . 0 0 "[ . 1]" 1
323 1 22 ARG QB 1 22 ARG HE 4.070 . 4.880 3.203 2.121 4.206 . 0 0 "[ . 1]" 1
324 1 22 ARG QB 1 23 ILE H 3.460 . 4.150 3.514 2.840 3.939 . 0 0 "[ . 1]" 1
325 1 22 ARG QD 1 23 ILE H 3.920 . 4.700 4.268 4.002 4.624 . 0 0 "[ . 1]" 1
326 1 22 ARG HE 1 22 ARG QG 3.710 . 4.450 2.529 2.113 3.144 . 0 0 "[ . 1]" 1
327 1 22 ARG QG 1 23 ILE H 2.950 . 3.540 2.737 2.567 3.032 . 0 0 "[ . 1]" 1
328 1 22 ARG QG 1 23 ILE HA 3.780 . 4.540 3.755 3.511 4.317 . 0 0 "[ . 1]" 1
329 1 22 ARG QG 1 23 ILE QG 1.990 . 2.390 1.922 1.687 2.206 0.113 6 0 "[ . 1]" 1
330 1 22 ARG QG 1 24 GLY H 3.620 . 4.340 4.383 4.246 4.530 0.190 6 0 "[ . 1]" 1
331 1 23 ILE H 1 23 ILE HB 2.880 . 3.460 2.494 2.305 2.794 . 0 0 "[ . 1]" 1
332 1 23 ILE H 1 23 ILE QG 3.170 . 3.800 3.057 2.458 3.337 . 0 0 "[ . 1]" 1
333 1 23 ILE H 1 23 ILE MG 3.810 . 4.570 3.730 3.602 3.882 . 0 0 "[ . 1]" 1
334 1 23 ILE H 1 24 GLY H 3.370 . 4.040 1.843 1.781 1.931 0.019 10 0 "[ . 1]" 1
335 1 23 ILE H 1 25 CYS QB 4.450 . 5.340 4.581 3.408 5.194 . 0 0 "[ . 1]" 1
336 1 23 ILE H 1 26 ARG H 3.240 . 3.890 3.934 3.812 4.029 0.139 9 0 "[ . 1]" 1
337 1 23 ILE HA 1 23 ILE QG 3.700 . 4.440 2.343 2.176 2.625 . 0 0 "[ . 1]" 1
338 1 23 ILE HA 1 24 GLY H 3.240 . 3.890 3.438 3.333 3.531 . 0 0 "[ . 1]" 1
339 1 23 ILE HA 1 25 CYS H 4.550 . 5.460 4.812 3.857 5.327 . 0 0 "[ . 1]" 1
340 1 23 ILE HA 1 26 ARG H 3.350 . 4.020 3.881 2.851 4.178 0.158 3 0 "[ . 1]" 1
341 1 23 ILE HB 1 24 GLY H 3.140 . 3.770 3.085 2.695 3.482 . 0 0 "[ . 1]" 1
342 1 23 ILE MG 1 24 GLY H 3.690 . 4.430 3.582 3.215 4.004 . 0 0 "[ . 1]" 1
343 1 23 ILE MG 1 25 CYS H 5.060 . 6.070 5.212 4.533 5.692 . 0 0 "[ . 1]" 1
344 1 24 GLY H 1 24 GLY QA 2.660 . 3.190 2.338 2.247 2.407 . 0 0 "[ . 1]" 1
345 1 24 GLY H 1 25 CYS H 2.790 . 3.350 2.204 1.864 2.535 . 0 0 "[ . 1]" 1
346 1 24 GLY H 1 27 HIS H 3.420 . 4.100 4.122 3.942 4.267 0.167 7 0 "[ . 1]" 1
347 1 24 GLY QA 1 25 CYS H 3.180 . 3.820 2.717 2.555 2.870 . 0 0 "[ . 1]" 1
348 1 24 GLY QA 1 26 ARG QG 4.280 . 5.140 5.047 4.481 5.224 0.084 7 0 "[ . 1]" 1
349 1 24 GLY QA 1 27 HIS H 3.290 . 3.950 3.655 3.059 4.091 0.141 3 0 "[ . 1]" 1
350 1 24 GLY QA 1 27 HIS QB 4.530 . 5.440 3.448 2.042 4.812 . 0 0 "[ . 1]" 1
351 1 25 CYS H 1 25 CYS HA 2.970 . 3.560 2.932 2.793 2.996 . 0 0 "[ . 1]" 1
352 1 25 CYS H 1 25 CYS QB 2.790 . 3.350 2.248 2.031 2.401 . 0 0 "[ . 1]" 1
353 1 25 CYS H 1 26 ARG H 2.750 . 3.300 2.350 1.941 2.719 . 0 0 "[ . 1]" 1
354 1 25 CYS H 1 26 ARG HA 4.440 . 5.330 5.047 4.741 5.292 . 0 0 "[ . 1]" 1
355 1 25 CYS H 1 27 HIS H 4.790 . 5.750 3.866 3.491 4.097 . 0 0 "[ . 1]" 1
356 1 25 CYS HA 1 25 CYS QB 2.640 . 3.170 2.408 2.307 2.520 . 0 0 "[ . 1]" 1
357 1 25 CYS HA 1 26 ARG H 2.740 . 3.290 3.387 3.330 3.491 0.201 3 0 "[ . 1]" 1
358 1 25 CYS QB 1 26 ARG H 3.200 . 3.840 3.089 2.506 3.278 . 0 0 "[ . 1]" 1
359 1 26 ARG H 1 26 ARG QD 4.260 . 5.110 4.325 3.807 4.903 . 0 0 "[ . 1]" 1
360 1 26 ARG H 1 26 ARG HE 4.380 . 5.260 4.811 4.300 5.288 0.028 8 0 "[ . 1]" 1
361 1 26 ARG H 1 26 ARG QG 3.160 . 3.790 2.639 2.233 3.821 0.031 3 0 "[ . 1]" 1
362 1 26 ARG H 1 27 HIS H 3.420 . 4.100 2.034 1.831 2.260 . 0 0 "[ . 1]" 1
363 1 26 ARG HA 1 26 ARG QD 4.170 . 5.000 3.771 2.015 4.505 . 0 0 "[ . 1]" 1
364 1 26 ARG HA 1 26 ARG HE 4.490 . 5.390 4.209 2.037 5.026 . 0 0 "[ . 1]" 1
365 1 26 ARG HA 1 26 ARG QG 3.680 . 4.420 2.998 2.290 3.340 . 0 0 "[ . 1]" 1
366 1 26 ARG HA 1 27 HIS H 2.590 . 3.110 3.118 2.926 3.276 0.166 8 0 "[ . 1]" 1
367 1 26 ARG QB 1 26 ARG HE 4.390 . 5.270 2.793 1.833 4.027 . 0 0 "[ . 1]" 1
368 1 26 ARG QB 1 27 HIS H 6.000 . 7.200 3.808 3.502 4.053 . 0 0 "[ . 1]" 1
369 1 26 ARG QG 1 27 HIS H 4.710 . 5.650 3.655 2.918 4.728 . 0 0 "[ . 1]" 1
370 1 27 HIS H 1 27 HIS HA 2.990 . 3.590 2.785 2.361 2.951 . 0 0 "[ . 1]" 1
371 1 27 HIS H 1 27 HIS QB 3.060 . 3.670 2.293 2.015 2.933 . 0 0 "[ . 1]" 1
372 1 27 HIS H 1 28 SER H 3.900 . 4.680 4.115 2.516 4.699 0.019 1 0 "[ . 1]" 1
373 1 27 HIS HA 1 27 HIS HD1 4.270 . 5.120 3.293 2.268 3.929 . 0 0 "[ . 1]" 1
374 1 27 HIS HA 1 28 SER H 2.650 . 3.180 2.460 2.237 3.273 0.093 3 0 "[ . 1]" 1
375 1 27 HIS HA 1 30 ILE H 5.810 . 6.970 6.466 4.711 7.025 0.055 10 0 "[ . 1]" 1
376 1 27 HIS QB 1 28 SER H 3.810 . 4.570 3.539 2.805 4.030 . 0 0 "[ . 1]" 1
377 1 28 SER H 1 28 SER QB 3.650 . 4.380 2.373 1.946 2.997 . 0 0 "[ . 1]" 1
378 1 28 SER HA 1 29 ARG H 2.590 . 3.110 2.564 2.211 3.004 . 0 0 "[ . 1]" 1
379 1 28 SER QB 1 29 ARG H 3.730 . 4.480 2.974 1.869 3.887 . 0 0 "[ . 1]" 1
380 1 28 SER QB 1 30 ILE H 2.700 . 3.240 2.733 2.163 3.242 0.002 8 0 "[ . 1]" 1
381 1 29 ARG H 1 29 ARG QB 2.980 . 3.580 2.288 1.990 3.172 . 0 0 "[ . 1]" 1
382 1 29 ARG H 1 29 ARG QD 4.770 . 5.720 4.103 2.291 4.735 . 0 0 "[ . 1]" 1
383 1 29 ARG H 1 29 ARG HE 4.510 . 5.410 4.626 3.492 5.411 0.001 9 0 "[ . 1]" 1
384 1 29 ARG H 1 29 ARG QG 3.360 . 4.030 3.151 2.303 3.979 . 0 0 "[ . 1]" 1
385 1 29 ARG H 1 30 ILE H 3.450 . 4.140 2.877 2.347 3.619 . 0 0 "[ . 1]" 1
386 1 29 ARG HA 1 29 ARG QD 3.420 . 4.100 3.653 2.416 4.018 . 0 0 "[ . 1]" 1
387 1 29 ARG HA 1 29 ARG HE 6.000 . 7.200 4.387 2.555 5.103 . 0 0 "[ . 1]" 1
388 1 29 ARG HA 1 29 ARG QG 2.800 . 3.360 2.230 1.972 2.507 . 0 0 "[ . 1]" 1
389 1 29 ARG HA 1 31 GLY H 5.110 . 6.130 4.769 3.654 5.949 . 0 0 "[ . 1]" 1
390 1 29 ARG HA 1 32 ILE H 5.540 . 6.650 5.743 4.550 6.454 . 0 0 "[ . 1]" 1
391 1 29 ARG QB 1 29 ARG HE 4.050 . 4.860 2.938 2.027 4.216 . 0 0 "[ . 1]" 1
392 1 29 ARG QB 1 30 ILE H 3.640 . 4.370 3.645 3.305 3.945 . 0 0 "[ . 1]" 1
393 1 30 ILE H 1 30 ILE HB 2.920 . 3.500 3.212 2.456 3.560 0.060 3 0 "[ . 1]" 1
394 1 30 ILE H 1 30 ILE QG 2.900 . 3.480 2.200 1.877 2.737 . 0 0 "[ . 1]" 1
395 1 30 ILE H 1 30 ILE MG 3.590 . 4.310 3.205 2.077 4.017 . 0 0 "[ . 1]" 1
396 1 30 ILE H 1 31 GLY H 3.740 . 4.490 3.668 2.696 4.533 0.043 9 0 "[ . 1]" 1
397 1 30 ILE HA 1 30 ILE MG 2.470 . 2.960 2.309 2.153 2.475 . 0 0 "[ . 1]" 1
398 1 30 ILE HA 1 31 GLY H 2.620 . 3.140 2.570 2.201 3.197 0.057 3 0 "[ . 1]" 1
399 1 31 GLY H 1 32 ILE H 3.060 . 3.670 2.857 1.900 3.704 0.034 2 0 "[ . 1]" 1
400 1 31 GLY QA 1 32 ILE H 3.380 . 4.060 2.564 2.151 2.927 . 0 0 "[ . 1]" 1
401 1 32 ILE H 1 32 ILE HB 2.730 . 3.280 2.623 2.374 3.240 . 0 0 "[ . 1]" 1
402 1 32 ILE H 1 32 ILE MD 3.460 . 4.150 3.660 2.439 4.214 0.064 2 0 "[ . 1]" 1
403 1 32 ILE H 1 32 ILE QG 3.960 . 4.750 2.351 1.807 3.355 . 0 0 "[ . 1]" 1
404 1 32 ILE H 1 33 ILE H 2.960 . 3.550 2.547 1.821 3.557 0.007 2 0 "[ . 1]" 1
405 1 32 ILE HA 1 32 ILE MD 3.410 . 4.090 2.780 1.835 3.852 . 0 0 "[ . 1]" 1
406 1 32 ILE HB 1 32 ILE MD 2.390 . 2.870 2.192 1.884 2.473 . 0 0 "[ . 1]" 1
407 1 32 ILE HB 1 33 ILE H 3.140 . 3.770 3.299 2.088 3.830 0.060 9 0 "[ . 1]" 1
408 1 32 ILE QG 1 37 ARG H 4.020 . 4.820 4.482 3.731 4.850 0.030 4 0 "[ . 1]" 1
409 1 33 ILE H 1 34 GLN H 3.190 . 3.830 3.355 2.911 3.839 0.009 8 0 "[ . 1]" 1
410 1 33 ILE HA 1 34 GLN H 2.810 . 3.370 2.924 2.211 3.542 0.172 8 0 "[ . 1]" 1
411 1 34 GLN H 1 34 GLN QB 3.230 . 3.880 2.704 1.930 3.384 . 0 0 "[ . 1]" 1
412 1 34 GLN H 1 34 GLN QG 3.040 . 3.650 3.129 2.267 3.593 . 0 0 "[ . 1]" 1
413 1 36 ARG H 1 36 ARG QB 2.640 . 3.170 2.582 2.175 3.153 . 0 0 "[ . 1]" 1
414 1 36 ARG H 1 36 ARG HE 5.050 . 6.060 5.171 4.261 6.019 . 0 0 "[ . 1]" 1
415 1 36 ARG H 1 36 ARG QG 2.800 . 3.360 2.640 1.940 3.278 . 0 0 "[ . 1]" 1
416 1 37 ARG H 1 37 ARG QB 2.640 . 3.170 2.833 2.330 3.146 . 0 0 "[ . 1]" 1
417 1 37 ARG H 1 37 ARG QG 2.870 . 3.440 2.697 1.889 3.336 . 0 0 "[ . 1]" 1
418 1 37 ARG H 1 38 THR H 3.300 . 3.960 3.341 2.902 3.962 0.002 8 0 "[ . 1]" 1
419 1 37 ARG HA 1 37 ARG QD 3.540 . 4.270 3.868 3.362 4.234 . 0 0 "[ . 1]" 1
420 1 37 ARG HA 1 37 ARG QG 3.760 . 4.510 2.426 2.042 3.305 . 0 0 "[ . 1]" 1
421 1 37 ARG HA 1 38 THR H 2.630 . 3.160 2.586 2.264 3.006 . 0 0 "[ . 1]" 1
422 1 37 ARG QB 1 38 THR H 3.790 . 4.550 3.884 3.715 4.060 . 0 0 "[ . 1]" 1
423 1 38 THR H 1 38 THR HB 3.860 . 4.630 3.083 2.315 3.806 . 0 0 "[ . 1]" 1
424 1 38 THR H 1 38 THR HG1 3.440 . 4.130 2.669 1.956 3.455 . 0 0 "[ . 1]" 1
425 1 38 THR H 1 39 ARG H 3.420 . 4.100 3.011 2.034 4.102 0.002 2 0 "[ . 1]" 1
426 1 38 THR HB 1 39 ARG H 6.000 . 7.200 3.687 2.276 4.674 . 0 0 "[ . 1]" 1
427 1 39 ARG H 1 39 ARG QB 2.610 . 3.130 2.538 2.216 3.045 . 0 0 "[ . 1]" 1
428 1 39 ARG H 1 39 ARG QG 2.720 . 3.260 2.405 1.894 3.239 . 0 0 "[ . 1]" 1
429 1 39 ARG HA 1 40 ASN H 3.010 . 3.610 2.664 2.232 3.419 . 0 0 "[ . 1]" 1
430 1 40 ASN HA 1 41 GLY H 3.450 . 4.140 2.938 2.313 3.577 . 0 0 "[ . 1]" 1
431 1 42 ALA HA 1 43 SER H 3.700 . 4.440 2.745 2.220 3.580 . 0 0 "[ . 1]" 1
432 1 42 ALA MB 1 43 SER H 6.000 . 7.200 3.092 1.939 3.714 . 0 0 "[ . 1]" 1
433 1 44 LYS QB 1 44 LYS QE 4.320 . 5.180 3.061 2.297 3.665 . 0 0 "[ . 1]" 1
434 2 1 ASP HA 2 2 THR H 2.910 . 3.490 3.299 2.949 3.572 0.082 10 0 "[ . 1]" 1
435 2 1 ASP HA 2 2 THR HG1 5.180 . 6.220 4.907 4.286 5.683 . 0 0 "[ . 1]" 1
436 2 1 ASP HA 2 4 THR H 5.250 . 6.300 4.368 3.534 5.257 . 0 0 "[ . 1]" 1
437 2 1 ASP HA 2 5 GLY H 2.820 . 3.370 3.281 3.106 3.382 0.012 4 0 "[ . 1]" 1
438 2 1 ASP QB 2 2 THR H 3.200 . 3.840 2.819 1.875 3.717 . 0 0 "[ . 1]" 1
439 2 1 ASP QB 2 2 THR HG1 4.820 . 5.780 4.004 2.732 5.015 . 0 0 "[ . 1]" 1
440 2 2 THR H 2 2 THR HA 2.960 . 3.550 2.729 2.362 2.899 . 0 0 "[ . 1]" 1
441 2 2 THR H 2 2 THR HB 3.220 . 3.860 3.338 2.508 3.740 . 0 0 "[ . 1]" 1
442 2 2 THR H 2 3 TRP H 3.780 . 4.540 3.293 2.769 4.547 0.007 7 0 "[ . 1]" 1
443 2 2 THR H 2 4 THR H 4.720 . 5.660 4.369 3.930 5.574 . 0 0 "[ . 1]" 1
444 2 2 THR H 2 5 GLY H 6.000 . 7.200 4.508 4.131 4.889 . 0 0 "[ . 1]" 1
445 2 2 THR HA 2 3 TRP H 2.990 . 3.590 3.551 3.328 3.591 0.001 6 0 "[ . 1]" 1
446 2 2 THR HB 2 3 TRP H 3.130 . 3.760 2.420 1.884 3.755 . 0 0 "[ . 1]" 1
447 2 2 THR HB 2 3 TRP HD1 3.780 . 4.540 4.153 3.523 4.548 0.008 8 0 "[ . 1]" 1
448 2 3 TRP H 2 3 TRP QB 2.770 . 3.320 2.273 2.126 2.368 . 0 0 "[ . 1]" 1
449 2 3 TRP H 2 3 TRP HD1 2.990 . 3.590 3.509 3.260 3.611 0.021 8 0 "[ . 1]" 1
450 2 3 TRP HA 2 3 TRP HE3 2.610 . 3.130 2.386 1.791 3.144 0.014 6 0 "[ . 1]" 1
451 2 3 TRP HA 2 4 THR H 3.310 . 3.970 3.537 3.492 3.565 . 0 0 "[ . 1]" 1
452 2 3 TRP HA 2 5 GLY H 4.180 . 5.020 3.570 3.434 3.701 . 0 0 "[ . 1]" 1
453 2 3 TRP HA 2 6 VAL H 3.310 . 3.970 3.326 2.809 3.975 0.005 5 0 "[ . 1]" 1
454 2 3 TRP HA 2 6 VAL QG 3.450 . 4.140 2.717 2.366 3.047 . 0 0 "[ . 1]" 1
455 2 3 TRP QB 2 3 TRP HD1 2.700 . 3.240 2.488 2.460 2.505 . 0 0 "[ . 1]" 1
456 2 3 TRP QB 2 3 TRP HE3 3.000 . 3.600 2.912 2.817 3.002 . 0 0 "[ . 1]" 1
457 2 3 TRP QB 2 3 TRP HZ3 4.210 . 5.050 5.082 5.020 5.142 0.092 3 0 "[ . 1]" 1
458 2 3 TRP QB 2 4 THR H 2.810 . 3.370 2.701 2.283 3.257 . 0 0 "[ . 1]" 1
459 2 3 TRP QB 2 5 GLY H 4.550 . 5.460 4.389 4.116 4.701 . 0 0 "[ . 1]" 1
460 2 3 TRP QB 2 6 VAL H 5.170 . 6.200 4.530 4.200 4.925 . 0 0 "[ . 1]" 1
461 2 3 TRP HD1 2 4 THR H 3.830 . 4.600 4.215 3.300 4.787 0.187 10 0 "[ . 1]" 1
462 2 3 TRP HD1 2 4 THR HA 6.000 . 7.200 5.963 4.406 7.124 . 0 0 "[ . 1]" 1
463 2 3 TRP HD1 2 4 THR HG1 5.260 . 6.310 5.178 3.461 6.191 . 0 0 "[ . 1]" 1
464 2 3 TRP HE3 2 4 THR H 4.260 . 5.110 5.177 5.058 5.252 0.142 3 0 "[ . 1]" 1
465 2 3 TRP HE3 2 5 GLY H 4.370 . 5.240 5.276 5.105 5.405 0.165 10 0 "[ . 1]" 1
466 2 3 TRP HE3 2 6 VAL H 4.030 . 4.840 3.936 3.587 4.571 . 0 0 "[ . 1]" 1
467 2 3 TRP HE3 2 6 VAL HA 4.160 . 4.990 5.047 5.020 5.096 0.106 10 0 "[ . 1]" 1
468 2 3 TRP HE3 2 6 VAL HB 3.030 . 3.640 2.166 2.079 2.369 . 0 0 "[ . 1]" 1
469 2 3 TRP HH2 2 3 TRP HZ3 2.470 . 2.960 2.479 2.474 2.484 . 0 0 "[ . 1]" 1
470 2 3 TRP HH2 2 6 VAL HB 4.950 . 5.940 5.141 3.858 5.991 0.051 2 0 "[ . 1]" 1
471 2 3 TRP HH2 2 6 VAL QG 5.240 . 6.290 3.893 3.587 4.144 . 0 0 "[ . 1]" 1
472 2 3 TRP HZ3 2 6 VAL HB 4.070 . 4.880 3.079 2.080 3.733 . 0 0 "[ . 1]" 1
473 2 3 TRP HZ3 2 6 VAL QG 3.690 . 4.430 2.126 1.838 2.338 . 0 0 "[ . 1]" 1
474 2 4 THR H 2 4 THR HB 3.540 . 4.250 2.686 2.355 3.459 . 0 0 "[ . 1]" 1
475 2 4 THR H 2 4 THR HG1 3.630 . 4.360 2.639 1.885 3.199 . 0 0 "[ . 1]" 1
476 2 4 THR H 2 7 GLU QG 4.910 . 5.890 5.169 4.010 5.925 0.035 6 0 "[ . 1]" 1
477 2 4 THR HA 2 5 GLY H 2.820 . 3.380 3.462 3.446 3.486 0.106 6 0 "[ . 1]" 1
478 2 4 THR HA 2 6 VAL H 3.500 . 4.200 3.751 3.350 4.201 0.001 7 0 "[ . 1]" 1
479 2 4 THR HA 2 7 GLU H 3.340 . 4.010 3.450 2.657 3.969 . 0 0 "[ . 1]" 1
480 2 4 THR HA 2 7 GLU QB 3.340 . 4.010 2.860 1.947 3.912 . 0 0 "[ . 1]" 1
481 2 4 THR HA 2 7 GLU QG 4.630 . 5.560 3.300 1.781 4.799 0.019 9 0 "[ . 1]" 1
482 2 4 THR HA 2 8 ALA H 3.010 . 3.610 3.663 3.625 3.696 0.086 10 0 "[ . 1]" 1
483 2 4 THR HB 2 5 GLY H 3.200 . 3.840 3.010 2.871 3.450 . 0 0 "[ . 1]" 1
484 2 4 THR HB 2 6 VAL H 4.060 . 4.870 4.878 4.795 4.928 0.058 7 0 "[ . 1]" 1
485 2 4 THR HG1 2 6 VAL H 5.700 . 6.840 4.618 4.217 4.916 . 0 0 "[ . 1]" 1
486 2 4 THR HG1 2 7 GLU H 5.860 . 7.030 4.685 3.774 5.284 . 0 0 "[ . 1]" 1
487 2 5 GLY H 2 5 GLY QA 2.260 . 2.710 2.282 2.243 2.339 . 0 0 "[ . 1]" 1
488 2 5 GLY QA 2 6 VAL H 2.720 . 3.260 2.857 2.732 2.930 . 0 0 "[ . 1]" 1
489 2 5 GLY QA 2 8 ALA MB 3.670 . 4.400 3.403 2.973 4.283 . 0 0 "[ . 1]" 1
490 2 5 GLY QA 2 9 LEU H 4.670 . 5.600 4.328 3.627 4.549 . 0 0 "[ . 1]" 1
491 2 6 VAL H 2 6 VAL HB 2.730 . 3.280 2.414 2.173 2.805 . 0 0 "[ . 1]" 1
492 2 6 VAL H 2 6 VAL QG 3.000 . 3.600 2.461 2.180 2.979 . 0 0 "[ . 1]" 1
493 2 6 VAL H 2 7 GLU H 3.220 . 3.860 2.315 2.155 2.409 . 0 0 "[ . 1]" 1
494 2 6 VAL H 2 7 GLU HA 4.200 . 5.040 4.977 4.668 5.063 0.023 4 0 "[ . 1]" 1
495 2 6 VAL H 2 7 GLU QB 4.400 . 5.280 3.952 3.653 4.465 . 0 0 "[ . 1]" 1
496 2 6 VAL H 2 7 GLU QG 5.110 . 6.130 4.595 3.109 5.691 . 0 0 "[ . 1]" 1
497 2 6 VAL H 2 8 ALA MB 4.830 . 5.800 4.615 4.041 4.891 . 0 0 "[ . 1]" 1
498 2 6 VAL H 2 9 LEU HG 4.120 . 4.940 4.959 4.758 5.058 0.118 7 0 "[ . 1]" 1
499 2 6 VAL H 2 10 ILE QG 4.420 . 5.300 5.187 4.949 5.356 0.056 1 0 "[ . 1]" 1
500 2 6 VAL HA 2 6 VAL QG 2.930 . 3.520 2.098 2.051 2.135 . 0 0 "[ . 1]" 1
501 2 6 VAL HA 2 8 ALA H 3.930 . 4.720 4.665 4.329 4.769 0.049 8 0 "[ . 1]" 1
502 2 6 VAL HA 2 9 LEU H 3.570 . 4.280 3.359 3.208 4.018 . 0 0 "[ . 1]" 1
503 2 6 VAL HA 2 9 LEU QB 2.810 . 3.370 2.150 1.849 3.040 . 0 0 "[ . 1]" 1
504 2 6 VAL HA 2 10 ILE H 3.380 . 4.060 4.012 3.622 4.122 0.062 6 0 "[ . 1]" 1
505 2 6 VAL HB 2 7 GLU H 3.010 . 3.610 2.438 2.107 3.548 . 0 0 "[ . 1]" 1
506 2 6 VAL QG 2 7 GLU H 3.460 . 4.150 3.055 2.750 3.637 . 0 0 "[ . 1]" 1
507 2 6 VAL QG 2 9 LEU H 4.920 . 5.900 4.113 3.889 4.787 . 0 0 "[ . 1]" 1
508 2 6 VAL QG 2 10 ILE H 4.570 . 5.480 3.927 3.602 4.689 . 0 0 "[ . 1]" 1
509 2 7 GLU H 2 7 GLU QB 2.910 . 3.490 2.205 1.973 2.770 . 0 0 "[ . 1]" 1
510 2 7 GLU H 2 7 GLU QG 3.090 . 3.710 2.925 2.022 3.879 0.169 6 0 "[ . 1]" 1
511 2 7 GLU H 2 8 ALA H 3.350 . 4.020 2.849 1.927 3.128 . 0 0 "[ . 1]" 1
512 2 7 GLU H 2 9 LEU H 4.590 . 5.510 3.749 2.947 3.988 . 0 0 "[ . 1]" 1
513 2 7 GLU H 2 10 ILE MD 4.500 . 5.400 4.065 2.783 5.424 0.024 6 0 "[ . 1]" 1
514 2 7 GLU HA 2 7 GLU QG 3.500 . 4.200 2.705 2.033 3.393 . 0 0 "[ . 1]" 1
515 2 7 GLU HA 2 8 ALA H 3.200 . 3.840 3.584 3.547 3.595 . 0 0 "[ . 1]" 1
516 2 7 GLU HA 2 9 LEU H 4.470 . 5.360 3.977 3.859 4.222 . 0 0 "[ . 1]" 1
517 2 7 GLU HA 2 10 ILE H 3.610 . 4.330 3.345 3.166 3.739 . 0 0 "[ . 1]" 1
518 2 7 GLU HA 2 10 ILE HB 3.020 . 3.620 2.542 2.225 3.014 . 0 0 "[ . 1]" 1
519 2 7 GLU HA 2 10 ILE MD 3.670 . 4.400 2.667 1.826 4.116 . 0 0 "[ . 1]" 1
520 2 7 GLU HA 2 10 ILE MG 4.660 . 5.590 3.745 3.419 4.184 . 0 0 "[ . 1]" 1
521 2 7 GLU HA 2 11 ARG H 3.600 . 4.320 4.278 4.040 4.396 0.076 8 0 "[ . 1]" 1
522 2 7 GLU QB 2 8 ALA H 3.090 . 3.710 2.648 2.150 3.394 . 0 0 "[ . 1]" 1
523 2 7 GLU QB 2 8 ALA MB 5.290 . 6.350 3.826 3.440 4.316 . 0 0 "[ . 1]" 1
524 2 7 GLU QG 2 8 ALA H 3.900 . 4.680 3.077 1.779 4.248 0.021 1 0 "[ . 1]" 1
525 2 7 GLU QG 2 10 ILE MD 4.660 . 5.590 4.251 2.616 5.697 0.107 6 0 "[ . 1]" 1
526 2 8 ALA H 2 8 ALA HA 2.730 . 3.280 2.904 2.866 2.964 . 0 0 "[ . 1]" 1
527 2 8 ALA H 2 8 ALA MB 2.770 . 3.320 2.092 1.930 2.220 . 0 0 "[ . 1]" 1
528 2 8 ALA H 2 9 LEU H 3.190 . 3.810 2.522 2.259 2.658 . 0 0 "[ . 1]" 1
529 2 8 ALA H 2 10 ILE H 3.310 . 3.970 3.892 3.664 3.984 0.014 4 0 "[ . 1]" 1
530 2 8 ALA HA 2 9 LEU H 3.490 . 4.190 3.439 3.358 3.488 . 0 0 "[ . 1]" 1
531 2 8 ALA HA 2 11 ARG H 3.610 . 4.330 3.471 3.408 3.535 . 0 0 "[ . 1]" 1
532 2 8 ALA HA 2 11 ARG QB 3.110 . 3.730 3.802 3.773 3.839 0.109 8 0 "[ . 1]" 1
533 2 8 ALA HA 2 11 ARG HE 4.150 . 4.980 3.552 1.945 4.530 . 0 0 "[ . 1]" 1
534 2 8 ALA HA 2 12 ILE H 3.030 . 3.640 3.674 3.653 3.701 0.061 10 0 "[ . 1]" 1
535 2 8 ALA MB 2 9 LEU H 3.380 . 4.060 2.962 2.795 3.135 . 0 0 "[ . 1]" 1
536 2 8 ALA MB 2 11 ARG H 4.010 . 4.810 4.716 4.662 4.827 0.017 5 0 "[ . 1]" 1
537 2 8 ALA MB 2 12 ILE MD 3.490 . 4.190 3.284 2.478 4.180 . 0 0 "[ . 1]" 1
538 2 9 LEU H 2 9 LEU QB 2.750 . 3.300 2.139 2.055 2.237 . 0 0 "[ . 1]" 1
539 2 9 LEU H 2 9 LEU QD 3.410 . 4.090 3.406 3.158 3.626 . 0 0 "[ . 1]" 1
540 2 9 LEU H 2 9 LEU HG 2.850 . 3.420 2.947 2.492 3.585 0.165 5 0 "[ . 1]" 1
541 2 9 LEU H 2 10 ILE H 3.160 . 3.790 2.112 2.017 2.167 . 0 0 "[ . 1]" 1
542 2 9 LEU H 2 10 ILE HA 3.940 . 4.730 4.849 4.788 4.886 0.156 8 0 "[ . 1]" 1
543 2 9 LEU H 2 10 ILE HB 3.410 . 4.090 4.061 3.920 4.113 0.023 9 0 "[ . 1]" 1
544 2 9 LEU H 2 12 ILE HB 3.800 . 4.560 4.556 4.417 4.656 0.096 9 0 "[ . 1]" 1
545 2 9 LEU HA 2 9 LEU QD 3.150 . 3.780 1.915 1.795 2.609 0.005 9 0 "[ . 1]" 1
546 2 9 LEU HA 2 9 LEU HG 2.560 . 3.070 2.937 2.798 3.360 0.290 5 0 "[ . 1]" 1
547 2 9 LEU HA 2 10 ILE HA 4.680 . 5.620 4.805 4.761 4.857 . 0 0 "[ . 1]" 1
548 2 9 LEU HA 2 12 ILE H 3.150 . 3.780 3.435 3.269 3.631 . 0 0 "[ . 1]" 1
549 2 9 LEU HA 2 12 ILE HB 2.340 . 2.810 2.250 1.939 2.496 . 0 0 "[ . 1]" 1
550 2 9 LEU HA 2 13 LEU H 4.530 . 5.440 4.023 3.598 4.465 . 0 0 "[ . 1]" 1
551 2 10 ILE H 2 10 ILE HB 2.360 . 2.830 2.234 2.134 2.329 . 0 0 "[ . 1]" 1
552 2 10 ILE H 2 10 ILE MD 3.480 . 4.180 3.474 2.129 3.988 . 0 0 "[ . 1]" 1
553 2 10 ILE H 2 11 ARG H 2.970 . 3.570 2.391 2.297 2.552 . 0 0 "[ . 1]" 1
554 2 10 ILE H 2 12 ILE H 3.200 . 3.840 3.883 3.843 3.902 0.062 6 0 "[ . 1]" 1
555 2 10 ILE H 2 13 LEU H 4.560 . 5.470 4.890 4.723 5.105 . 0 0 "[ . 1]" 1
556 2 10 ILE HA 2 10 ILE HB 2.650 . 3.180 3.031 3.017 3.040 . 0 0 "[ . 1]" 1
557 2 10 ILE HA 2 10 ILE MD 3.230 . 3.880 3.341 1.784 3.863 0.016 9 0 "[ . 1]" 1
558 2 10 ILE HA 2 10 ILE QG 2.880 . 3.460 2.399 2.176 3.075 . 0 0 "[ . 1]" 1
559 2 10 ILE HA 2 10 ILE MG 3.340 . 4.010 2.478 2.399 2.618 . 0 0 "[ . 1]" 1
560 2 10 ILE HA 2 11 ARG H 3.500 . 4.200 3.526 3.503 3.548 . 0 0 "[ . 1]" 1
561 2 10 ILE HA 2 12 ILE H 4.200 . 5.040 4.836 4.762 4.899 . 0 0 "[ . 1]" 1
562 2 10 ILE HA 2 13 LEU H 3.330 . 4.000 4.142 3.912 4.347 0.347 7 0 "[ . 1]" 1
563 2 10 ILE HA 2 13 LEU HA 4.410 . 5.290 6.382 5.948 6.702 1.412 7 10 [******+**-] 1
564 2 10 ILE HA 2 13 LEU QB 2.720 . 3.260 3.576 3.036 3.978 0.718 7 3 "[ * .-+ 1]" 1
565 2 10 ILE HA 2 13 LEU HG 4.010 . 4.810 4.679 4.015 5.665 0.855 4 1 "[ +. 1]" 1
566 2 10 ILE HB 2 10 ILE MG 2.410 . 2.890 2.135 2.107 2.152 . 0 0 "[ . 1]" 1
567 2 10 ILE MD 2 11 ARG H 4.380 . 5.260 4.516 3.935 4.864 . 0 0 "[ . 1]" 1
568 2 10 ILE QG 2 10 ILE MG 3.120 . 3.740 2.317 2.064 2.636 . 0 0 "[ . 1]" 1
569 2 10 ILE QG 2 11 ARG H 3.310 . 3.970 4.064 3.944 4.123 0.153 5 0 "[ . 1]" 1
570 2 10 ILE QG 2 13 LEU H 4.490 . 5.390 5.877 5.621 6.367 0.977 9 4 "[ * .-* +1]" 1
571 2 10 ILE MG 2 11 ARG H 3.520 . 4.220 3.287 2.862 3.536 . 0 0 "[ . 1]" 1
572 2 11 ARG H 2 11 ARG HA 2.690 . 3.230 2.939 2.920 2.955 . 0 0 "[ . 1]" 1
573 2 11 ARG H 2 11 ARG QB 2.390 . 2.870 2.519 2.499 2.548 . 0 0 "[ . 1]" 1
574 2 11 ARG H 2 11 ARG QD 3.830 . 4.600 3.654 3.366 3.908 . 0 0 "[ . 1]" 1
575 2 11 ARG H 2 11 ARG HE 4.340 . 5.210 4.188 2.845 5.079 . 0 0 "[ . 1]" 1
576 2 11 ARG H 2 11 ARG QG 3.430 . 4.120 1.830 1.814 1.849 . 0 0 "[ . 1]" 1
577 2 11 ARG H 2 12 ILE H 2.910 . 3.490 2.430 2.362 2.503 . 0 0 "[ . 1]" 1
578 2 11 ARG H 2 12 ILE HA 4.180 . 5.020 5.079 5.036 5.128 0.108 5 0 "[ . 1]" 1
579 2 11 ARG H 2 12 ILE MG 5.140 . 6.170 5.323 5.142 5.488 . 0 0 "[ . 1]" 1
580 2 11 ARG H 2 13 LEU H 3.980 . 4.780 4.018 3.829 4.190 . 0 0 "[ . 1]" 1
581 2 11 ARG H 2 14 GLN H 4.400 . 5.280 4.706 4.560 4.895 . 0 0 "[ . 1]" 1
582 2 11 ARG H 2 14 GLN QG 4.190 . 5.030 4.731 4.500 5.044 0.014 6 0 "[ . 1]" 1
583 2 11 ARG HA 2 11 ARG QB 2.650 . 3.180 2.202 2.200 2.203 . 0 0 "[ . 1]" 1
584 2 11 ARG HA 2 11 ARG QD 4.200 . 5.040 4.493 4.386 4.569 . 0 0 "[ . 1]" 1
585 2 11 ARG HA 2 11 ARG HE 4.370 . 5.240 4.675 4.393 5.167 . 0 0 "[ . 1]" 1
586 2 11 ARG HA 2 11 ARG QG 3.550 . 4.260 3.310 3.297 3.321 . 0 0 "[ . 1]" 1
587 2 11 ARG HA 2 13 LEU H 3.420 . 4.100 4.098 3.823 4.148 0.048 1 0 "[ . 1]" 1
588 2 11 ARG HA 2 14 GLN H 3.210 . 3.850 3.085 2.943 3.248 . 0 0 "[ . 1]" 1
589 2 11 ARG HA 2 14 GLN QB 2.660 . 3.190 2.697 2.076 3.215 0.025 3 0 "[ . 1]" 1
590 2 11 ARG QB 2 11 ARG QD 2.800 . 3.360 2.298 2.157 2.400 . 0 0 "[ . 1]" 1
591 2 11 ARG QB 2 11 ARG HE 3.580 . 4.300 2.310 1.961 2.864 . 0 0 "[ . 1]" 1
592 2 11 ARG QB 2 12 ILE H 2.750 . 3.300 3.286 3.267 3.306 0.006 9 0 "[ . 1]" 1
593 2 11 ARG QB 2 12 ILE HA 3.480 . 4.180 4.313 4.289 4.352 0.172 2 0 "[ . 1]" 1
594 2 11 ARG QB 2 15 GLN H 3.380 . 4.060 4.126 4.085 4.171 0.111 8 0 "[ . 1]" 1
595 2 11 ARG QD 2 12 ILE H 3.940 . 4.730 3.708 3.676 3.786 . 0 0 "[ . 1]" 1
596 2 11 ARG QG 2 12 ILE HB 2.820 . 3.380 3.325 3.220 3.442 0.062 8 0 "[ . 1]" 1
597 2 11 ARG QG 2 13 LEU H 3.900 . 4.680 4.127 4.003 4.219 . 0 0 "[ . 1]" 1
598 2 11 ARG QG 2 14 GLN H 4.120 . 4.940 4.914 4.778 5.036 0.096 10 0 "[ . 1]" 1
599 2 11 ARG QG 2 15 GLN QE 5.140 . 6.170 5.090 3.913 6.075 . 0 0 "[ . 1]" 1
600 2 12 ILE H 2 12 ILE HA 2.800 . 3.360 2.783 2.752 2.829 . 0 0 "[ . 1]" 1
601 2 12 ILE H 2 12 ILE HB 2.570 . 3.080 2.113 2.033 2.226 . 0 0 "[ . 1]" 1
602 2 12 ILE H 2 12 ILE MD 3.250 . 3.900 2.589 1.903 3.751 . 0 0 "[ . 1]" 1
603 2 12 ILE H 2 13 LEU H 2.990 . 3.590 2.849 2.745 2.960 . 0 0 "[ . 1]" 1
604 2 12 ILE H 2 14 GLN H 3.840 . 4.610 4.324 4.180 4.548 . 0 0 "[ . 1]" 1
605 2 12 ILE HA 2 12 ILE MD 3.870 . 4.640 1.943 1.813 2.079 . 0 0 "[ . 1]" 1
606 2 12 ILE HA 2 12 ILE QG 2.990 . 3.590 2.512 2.411 2.630 . 0 0 "[ . 1]" 1
607 2 12 ILE HA 2 12 ILE MG 3.340 . 4.010 2.709 2.522 2.822 . 0 0 "[ . 1]" 1
608 2 12 ILE HA 2 13 LEU H 3.450 . 4.140 3.550 3.509 3.571 . 0 0 "[ . 1]" 1
609 2 12 ILE HA 2 14 GLN H 4.620 . 5.540 4.708 4.508 4.889 . 0 0 "[ . 1]" 1
610 2 12 ILE HA 2 15 GLN H 3.000 . 3.600 3.575 3.449 3.624 0.024 9 0 "[ . 1]" 1
611 2 12 ILE HA 2 15 GLN QB 3.210 . 3.850 2.451 2.255 2.722 . 0 0 "[ . 1]" 1
612 2 12 ILE HA 2 15 GLN QG 3.980 . 4.780 4.194 3.652 4.452 . 0 0 "[ . 1]" 1
613 2 12 ILE HA 2 16 LEU H 3.510 . 4.210 3.888 3.606 4.148 . 0 0 "[ . 1]" 1
614 2 12 ILE HB 2 12 ILE MD 3.070 . 3.680 2.693 2.414 3.188 . 0 0 "[ . 1]" 1
615 2 12 ILE HB 2 13 LEU H 2.970 . 3.560 2.877 2.697 3.060 . 0 0 "[ . 1]" 1
616 2 12 ILE MD 2 16 LEU H 4.390 . 5.270 5.096 4.516 5.294 0.024 5 0 "[ . 1]" 1
617 2 12 ILE QG 2 12 ILE MG 3.130 . 3.760 2.155 2.074 2.341 . 0 0 "[ . 1]" 1
618 2 12 ILE QG 2 15 GLN QE 4.990 . 5.990 3.952 2.941 5.519 . 0 0 "[ . 1]" 1
619 2 12 ILE MG 2 13 LEU H 3.470 . 4.160 2.874 2.593 3.312 . 0 0 "[ . 1]" 1
620 2 12 ILE MG 2 13 LEU HA 3.140 . 3.770 3.183 3.049 3.396 . 0 0 "[ . 1]" 1
621 2 12 ILE MG 2 14 GLN H 4.050 . 4.860 4.793 4.628 4.922 0.062 1 0 "[ . 1]" 1
622 2 12 ILE MG 2 16 LEU H 3.250 . 3.900 3.979 3.884 4.071 0.171 9 0 "[ . 1]" 1
623 2 13 LEU H 2 13 LEU HA 2.930 . 3.520 2.901 2.873 2.931 . 0 0 "[ . 1]" 1
624 2 13 LEU H 2 13 LEU QB 2.530 . 3.040 2.259 1.926 2.494 . 0 0 "[ . 1]" 1
625 2 13 LEU H 2 13 LEU HG 3.050 . 3.660 2.328 1.836 3.617 . 0 0 "[ . 1]" 1
626 2 13 LEU H 2 14 GLN H 3.180 . 3.820 2.583 2.421 2.725 . 0 0 "[ . 1]" 1
627 2 13 LEU H 2 14 GLN HA 4.490 . 5.390 5.257 5.130 5.365 . 0 0 "[ . 1]" 1
628 2 13 LEU H 2 14 GLN QG 4.020 . 4.820 4.476 4.186 4.725 . 0 0 "[ . 1]" 1
629 2 13 LEU H 2 15 GLN H 3.480 . 4.180 3.843 3.685 4.009 . 0 0 "[ . 1]" 1
630 2 13 LEU HA 2 14 GLN H 3.640 . 4.370 3.573 3.550 3.600 . 0 0 "[ . 1]" 1
631 2 13 LEU HA 2 16 LEU H 3.280 . 3.940 3.461 3.171 3.745 . 0 0 "[ . 1]" 1
632 2 13 LEU HA 2 16 LEU QB 3.700 . 4.440 2.711 2.285 3.002 . 0 0 "[ . 1]" 1
633 2 13 LEU HA 2 17 LEU H 3.410 . 4.090 3.914 3.510 4.101 0.011 2 0 "[ . 1]" 1
634 2 13 LEU QB 2 14 GLN H 3.010 . 3.610 2.427 2.311 2.585 . 0 0 "[ . 1]" 1
635 2 13 LEU HG 2 14 GLN H 3.720 . 4.460 4.254 3.868 4.650 0.190 4 0 "[ . 1]" 1
636 2 13 LEU HG 2 16 LEU H 4.750 . 5.700 5.698 5.440 5.788 0.088 9 0 "[ . 1]" 1
637 2 14 GLN H 2 14 GLN QB 2.950 . 3.540 2.071 1.976 2.216 . 0 0 "[ . 1]" 1
638 2 14 GLN H 2 14 GLN QE 4.870 . 5.840 4.241 3.307 4.892 . 0 0 "[ . 1]" 1
639 2 14 GLN H 2 14 GLN QG 2.810 . 3.370 2.800 2.467 3.056 . 0 0 "[ . 1]" 1
640 2 14 GLN H 2 15 GLN H 2.950 . 3.540 2.599 2.422 2.729 . 0 0 "[ . 1]" 1
641 2 14 GLN H 2 16 LEU H 4.060 . 4.870 4.269 4.055 4.438 . 0 0 "[ . 1]" 1
642 2 14 GLN H 2 17 LEU H 4.720 . 5.660 4.644 4.405 5.053 . 0 0 "[ . 1]" 1
643 2 14 GLN HA 2 14 GLN QE 4.400 . 5.280 3.923 2.574 4.615 . 0 0 "[ . 1]" 1
644 2 14 GLN HA 2 14 GLN QG 3.000 . 3.600 3.299 3.183 3.474 . 0 0 "[ . 1]" 1
645 2 14 GLN HA 2 15 GLN H 3.730 . 4.480 3.550 3.519 3.570 . 0 0 "[ . 1]" 1
646 2 14 GLN HA 2 17 LEU H 3.170 . 3.800 3.421 3.206 3.799 . 0 0 "[ . 1]" 1
647 2 14 GLN HA 2 17 LEU QB 3.540 . 4.250 2.304 2.080 2.675 . 0 0 "[ . 1]" 1
648 2 14 GLN HA 2 17 LEU HG 3.340 . 4.010 3.606 2.975 4.040 0.030 3 0 "[ . 1]" 1
649 2 14 GLN HA 2 18 PHE H 3.290 . 3.950 3.985 3.952 4.039 0.089 8 0 "[ . 1]" 1
650 2 14 GLN QB 2 15 GLN H 2.890 . 3.470 3.280 3.148 3.415 . 0 0 "[ . 1]" 1
651 2 14 GLN QG 2 15 GLN HA 2.700 . 3.240 3.060 2.900 3.269 0.029 4 0 "[ . 1]" 1
652 2 15 GLN H 2 15 GLN QB 2.680 . 3.220 2.105 2.016 2.172 . 0 0 "[ . 1]" 1
653 2 15 GLN H 2 15 GLN QG 3.260 . 3.910 3.843 3.698 3.944 0.034 3 0 "[ . 1]" 1
654 2 15 GLN H 2 16 LEU H 3.090 . 3.710 2.775 2.676 2.871 . 0 0 "[ . 1]" 1
655 2 15 GLN HA 2 15 GLN QG 3.740 . 4.490 2.306 2.079 2.540 . 0 0 "[ . 1]" 1
656 2 15 GLN HA 2 18 PHE H 3.260 . 3.910 3.641 3.332 3.780 . 0 0 "[ . 1]" 1
657 2 15 GLN HA 2 18 PHE QB 3.980 . 4.780 2.782 2.286 3.213 . 0 0 "[ . 1]" 1
658 2 15 GLN HA 2 18 PHE QD 3.500 . 4.200 3.328 1.840 4.140 . 0 0 "[ . 1]" 1
659 2 15 GLN HA 2 19 ILE H 4.030 . 4.840 4.767 4.571 4.872 0.032 6 0 "[ . 1]" 1
660 2 15 GLN QB 2 16 LEU H 3.220 . 3.870 2.275 2.157 2.405 . 0 0 "[ . 1]" 1
661 2 15 GLN QB 2 17 LEU H 4.040 . 4.850 4.595 4.343 4.872 0.022 1 0 "[ . 1]" 1
662 2 15 GLN QE 2 16 LEU HA 4.250 . 5.100 4.359 3.783 5.054 . 0 0 "[ . 1]" 1
663 2 15 GLN QG 2 16 LEU H 4.300 . 5.160 3.750 3.018 4.288 . 0 0 "[ . 1]" 1
664 2 16 LEU H 2 16 LEU HA 2.690 . 3.230 2.859 2.819 2.908 . 0 0 "[ . 1]" 1
665 2 16 LEU H 2 16 LEU QB 2.920 . 3.500 2.018 1.930 2.143 . 0 0 "[ . 1]" 1
666 2 16 LEU HA 2 19 ILE H 2.910 . 3.490 3.428 3.311 3.508 0.018 9 0 "[ . 1]" 1
667 2 16 LEU HA 2 19 ILE HB 2.340 . 2.810 2.684 2.308 2.853 0.043 9 0 "[ . 1]" 1
668 2 16 LEU HA 2 19 ILE QG 3.440 . 4.130 3.562 2.641 4.155 0.025 10 0 "[ . 1]" 1
669 2 17 LEU H 2 17 LEU HA 2.880 . 3.460 2.820 2.758 2.910 . 0 0 "[ . 1]" 1
670 2 17 LEU H 2 17 LEU QB 2.430 . 2.920 1.968 1.928 2.185 . 0 0 "[ . 1]" 1
671 2 17 LEU H 2 17 LEU QD 2.950 . 3.540 3.318 1.782 3.548 0.018 1 0 "[ . 1]" 1
672 2 17 LEU H 2 17 LEU HG 2.730 . 3.280 3.290 3.090 3.394 0.114 1 0 "[ . 1]" 1
673 2 17 LEU H 2 20 HIS H 4.020 . 4.820 4.633 4.438 4.758 . 0 0 "[ . 1]" 1
674 2 17 LEU H 2 20 HIS QB 3.750 . 4.500 4.485 4.171 4.582 0.082 10 0 "[ . 1]" 1
675 2 17 LEU HA 2 17 LEU HG 2.940 . 3.530 3.094 2.503 3.644 0.114 5 0 "[ . 1]" 1
676 2 17 LEU HA 2 20 HIS H 3.100 . 3.720 3.174 2.967 3.322 . 0 0 "[ . 1]" 1
677 2 17 LEU HA 2 20 HIS QB 3.310 . 3.970 2.235 2.088 2.434 . 0 0 "[ . 1]" 1
678 2 17 LEU HA 2 20 HIS HD2 4.080 . 4.900 4.047 3.720 4.855 . 0 0 "[ . 1]" 1
679 2 17 LEU HA 2 21 PHE H 3.860 . 4.630 4.358 3.808 4.676 0.046 4 0 "[ . 1]" 1
680 2 17 LEU HA 2 21 PHE QD 4.370 . 5.240 5.038 4.591 5.267 0.027 4 0 "[ . 1]" 1
681 2 17 LEU QD 2 20 HIS HD2 4.370 . 5.240 2.898 2.125 4.517 . 0 0 "[ . 1]" 1
682 2 18 PHE H 2 18 PHE HA 2.860 . 3.430 2.830 2.762 2.907 . 0 0 "[ . 1]" 1
683 2 18 PHE H 2 18 PHE QB 2.650 . 3.180 1.996 1.901 2.140 . 0 0 "[ . 1]" 1
684 2 18 PHE H 2 18 PHE QD 3.360 . 4.030 2.703 1.983 3.360 . 0 0 "[ . 1]" 1
685 2 18 PHE H 2 18 PHE QE 4.340 . 5.210 4.943 4.371 5.382 0.172 8 0 "[ . 1]" 1
686 2 18 PHE HA 2 18 PHE QD 2.490 . 2.990 2.850 2.492 3.123 0.133 8 0 "[ . 1]" 1
687 2 18 PHE HA 2 19 ILE H 2.990 . 3.590 3.512 3.437 3.580 . 0 0 "[ . 1]" 1
688 2 18 PHE HA 2 21 PHE H 3.490 . 4.190 3.975 3.618 4.209 0.019 5 0 "[ . 1]" 1
689 2 18 PHE QB 2 18 PHE QE 4.120 . 4.940 3.969 3.954 3.988 . 0 0 "[ . 1]" 1
690 2 18 PHE QB 2 19 ILE H 2.760 . 3.310 2.889 2.266 3.325 0.015 8 0 "[ . 1]" 1
691 2 18 PHE QB 2 19 ILE HA 4.400 . 5.280 4.212 3.756 4.874 . 0 0 "[ . 1]" 1
692 2 19 ILE H 2 19 ILE HA 2.890 . 3.470 2.928 2.812 2.973 . 0 0 "[ . 1]" 1
693 2 19 ILE H 2 19 ILE HB 2.600 . 3.120 2.214 2.070 2.432 . 0 0 "[ . 1]" 1
694 2 19 ILE H 2 19 ILE MD 3.310 . 3.970 2.781 1.826 3.969 . 0 0 "[ . 1]" 1
695 2 19 ILE H 2 20 HIS H 3.730 . 4.480 2.420 2.189 2.772 . 0 0 "[ . 1]" 1
696 2 19 ILE H 2 21 PHE H 3.710 . 4.450 4.270 3.849 4.480 0.030 10 0 "[ . 1]" 1
697 2 19 ILE H 2 22 ARG H 4.090 . 4.910 4.832 4.616 4.944 0.034 8 0 "[ . 1]" 1
698 2 19 ILE H 2 23 ILE H 5.710 . 6.850 6.181 5.643 6.456 . 0 0 "[ . 1]" 1
699 2 19 ILE HA 2 19 ILE MD 3.010 . 3.440 2.541 1.796 3.567 0.127 5 0 "[ . 1]" 1
700 2 19 ILE HA 2 19 ILE QG 2.910 . 3.490 2.474 2.090 3.031 . 0 0 "[ . 1]" 1
701 2 19 ILE HA 2 21 PHE QE 4.520 . 5.420 4.808 4.445 5.140 . 0 0 "[ . 1]" 1
702 2 19 ILE HA 2 22 ARG H 3.580 . 4.300 3.306 3.206 3.398 . 0 0 "[ . 1]" 1
703 2 19 ILE HA 2 22 ARG QB 3.030 . 3.640 3.010 1.853 3.811 0.171 4 0 "[ . 1]" 1
704 2 19 ILE HA 2 22 ARG QD 4.100 . 4.920 3.713 1.838 4.937 0.017 7 0 "[ . 1]" 1
705 2 19 ILE HA 2 23 ILE H 3.670 . 4.400 4.238 3.617 4.417 0.017 3 0 "[ . 1]" 1
706 2 19 ILE HB 2 19 ILE MD 2.450 . 2.940 2.529 1.938 3.162 0.222 7 0 "[ . 1]" 1
707 2 19 ILE HB 2 20 HIS H 2.950 . 3.540 2.810 2.295 3.301 . 0 0 "[ . 1]" 1
708 2 19 ILE MD 2 20 HIS H 3.710 . 4.450 4.219 3.760 4.491 0.041 5 0 "[ . 1]" 1
709 2 19 ILE QG 2 20 HIS H 3.590 . 4.310 4.274 3.953 4.416 0.106 8 0 "[ . 1]" 1
710 2 20 HIS H 2 20 HIS QB 2.680 . 3.220 2.118 1.992 2.179 . 0 0 "[ . 1]" 1
711 2 20 HIS HA 2 20 HIS HD2 4.010 . 4.810 4.777 4.308 4.931 0.121 10 0 "[ . 1]" 1
712 2 20 HIS HA 2 20 HIS HE1 4.660 . 5.590 4.971 4.753 5.591 0.001 9 0 "[ . 1]" 1
713 2 20 HIS HA 2 21 PHE H 3.020 . 3.620 3.578 3.541 3.594 . 0 0 "[ . 1]" 1
714 2 20 HIS HA 2 23 ILE H 4.200 . 5.040 3.769 3.269 4.164 . 0 0 "[ . 1]" 1
715 2 20 HIS HA 2 23 ILE HB 3.620 . 4.340 3.622 2.320 4.345 0.005 7 0 "[ . 1]" 1
716 2 20 HIS QB 2 21 PHE H 3.100 . 3.720 2.568 2.378 2.901 . 0 0 "[ . 1]" 1
717 2 20 HIS HD2 2 21 PHE H 3.700 . 4.440 3.865 2.328 4.451 0.011 5 0 "[ . 1]" 1
718 2 20 HIS HD2 2 21 PHE HA 4.070 . 4.880 4.367 2.663 4.925 0.045 5 0 "[ . 1]" 1
719 2 21 PHE H 2 21 PHE QB 2.780 . 3.340 2.205 1.997 2.362 . 0 0 "[ . 1]" 1
720 2 21 PHE H 2 21 PHE QD 3.280 . 3.850 2.587 2.133 2.964 . 0 0 "[ . 1]" 1
721 2 21 PHE H 2 21 PHE QE 4.360 . 5.230 4.541 4.244 5.023 . 0 0 "[ . 1]" 1
722 2 21 PHE H 2 22 ARG H 3.310 . 3.970 2.532 2.317 2.724 . 0 0 "[ . 1]" 1
723 2 21 PHE H 2 23 ILE H 4.500 . 5.400 4.021 3.723 4.432 . 0 0 "[ . 1]" 1
724 2 21 PHE HA 2 23 ILE H 3.810 . 4.570 3.980 3.608 4.493 . 0 0 "[ . 1]" 1
725 2 21 PHE HA 2 24 GLY H 4.110 . 4.930 3.618 2.968 4.314 . 0 0 "[ . 1]" 1
726 2 21 PHE QB 2 21 PHE QD 2.840 . 3.410 2.152 2.148 2.155 . 0 0 "[ . 1]" 1
727 2 21 PHE QB 2 23 ILE H 4.590 . 5.510 4.951 4.631 5.306 . 0 0 "[ . 1]" 1
728 2 21 PHE QD 2 22 ARG H 3.940 . 4.730 3.295 2.912 3.667 . 0 0 "[ . 1]" 1
729 2 21 PHE QD 2 22 ARG HA 3.280 . 3.940 3.249 2.711 3.781 . 0 0 "[ . 1]" 1
730 2 21 PHE QD 2 23 ILE H 4.300 . 5.160 4.911 4.459 5.193 0.033 7 0 "[ . 1]" 1
731 2 21 PHE QE 2 22 ARG HA 3.890 . 4.670 3.606 3.111 4.263 . 0 0 "[ . 1]" 1
732 2 22 ARG H 2 22 ARG HA 2.810 . 3.370 2.946 2.859 2.997 . 0 0 "[ . 1]" 1
733 2 22 ARG H 2 22 ARG QB 2.740 . 3.290 2.283 1.902 2.710 . 0 0 "[ . 1]" 1
734 2 22 ARG H 2 22 ARG QG 2.980 . 3.580 2.762 1.813 3.586 0.006 7 0 "[ . 1]" 1
735 2 22 ARG H 2 23 ILE H 3.420 . 4.100 2.393 2.023 2.682 . 0 0 "[ . 1]" 1
736 2 22 ARG HA 2 22 ARG QD 3.040 . 3.650 3.228 2.289 3.821 0.171 4 0 "[ . 1]" 1
737 2 22 ARG HA 2 22 ARG HE 4.120 . 4.940 4.618 3.800 4.972 0.032 10 0 "[ . 1]" 1
738 2 22 ARG HA 2 23 ILE H 3.040 . 3.650 3.387 3.172 3.546 . 0 0 "[ . 1]" 1
739 2 22 ARG HA 2 25 CYS H 4.110 . 4.930 4.664 4.282 4.956 0.026 3 0 "[ . 1]" 1
740 2 22 ARG HA 2 25 CYS QB 3.820 . 4.580 4.303 3.649 4.615 0.035 7 0 "[ . 1]" 1
741 2 22 ARG QB 2 22 ARG QD 3.190 . 3.830 2.204 1.912 2.463 . 0 0 "[ . 1]" 1
742 2 22 ARG QB 2 22 ARG HE 4.070 . 4.880 3.203 2.120 4.206 . 0 0 "[ . 1]" 1
743 2 22 ARG QB 2 23 ILE H 3.460 . 4.150 3.514 2.842 3.938 . 0 0 "[ . 1]" 1
744 2 22 ARG QD 2 23 ILE H 3.920 . 4.700 4.267 4.001 4.625 . 0 0 "[ . 1]" 1
745 2 22 ARG HE 2 22 ARG QG 3.710 . 4.450 2.529 2.114 3.145 . 0 0 "[ . 1]" 1
746 2 22 ARG QG 2 23 ILE H 2.950 . 3.540 2.737 2.568 3.031 . 0 0 "[ . 1]" 1
747 2 22 ARG QG 2 23 ILE HA 3.780 . 4.540 3.755 3.513 4.318 . 0 0 "[ . 1]" 1
748 2 22 ARG QG 2 23 ILE QG 1.990 . 2.390 1.921 1.687 2.206 0.113 6 0 "[ . 1]" 1
749 2 22 ARG QG 2 24 GLY H 3.620 . 4.340 4.383 4.247 4.530 0.190 6 0 "[ . 1]" 1
750 2 23 ILE H 2 23 ILE HB 2.880 . 3.460 2.493 2.304 2.793 . 0 0 "[ . 1]" 1
751 2 23 ILE H 2 23 ILE QG 3.170 . 3.800 3.057 2.458 3.336 . 0 0 "[ . 1]" 1
752 2 23 ILE H 2 23 ILE MG 3.810 . 4.570 3.730 3.606 3.884 . 0 0 "[ . 1]" 1
753 2 23 ILE H 2 24 GLY H 3.370 . 4.040 1.843 1.782 1.930 0.018 10 0 "[ . 1]" 1
754 2 23 ILE H 2 25 CYS QB 4.450 . 5.340 4.582 3.408 5.193 . 0 0 "[ . 1]" 1
755 2 23 ILE H 2 26 ARG H 3.240 . 3.890 3.934 3.812 4.029 0.139 9 0 "[ . 1]" 1
756 2 23 ILE HA 2 23 ILE QG 3.700 . 4.440 2.343 2.175 2.627 . 0 0 "[ . 1]" 1
757 2 23 ILE HA 2 24 GLY H 3.240 . 3.890 3.437 3.333 3.530 . 0 0 "[ . 1]" 1
758 2 23 ILE HA 2 25 CYS H 4.550 . 5.460 4.811 3.858 5.327 . 0 0 "[ . 1]" 1
759 2 23 ILE HA 2 26 ARG H 3.350 . 4.020 3.882 2.851 4.177 0.157 3 0 "[ . 1]" 1
760 2 23 ILE HB 2 24 GLY H 3.140 . 3.770 3.084 2.689 3.482 . 0 0 "[ . 1]" 1
761 2 23 ILE MG 2 24 GLY H 3.690 . 4.430 3.590 3.214 4.004 . 0 0 "[ . 1]" 1
762 2 23 ILE MG 2 25 CYS H 5.060 . 6.070 5.217 4.534 5.709 . 0 0 "[ . 1]" 1
763 2 24 GLY H 2 24 GLY QA 2.660 . 3.190 2.338 2.248 2.407 . 0 0 "[ . 1]" 1
764 2 24 GLY H 2 25 CYS H 2.790 . 3.350 2.204 1.864 2.534 . 0 0 "[ . 1]" 1
765 2 24 GLY H 2 27 HIS H 3.420 . 4.100 4.121 3.940 4.266 0.166 7 0 "[ . 1]" 1
766 2 24 GLY QA 2 25 CYS H 3.180 . 3.820 2.717 2.555 2.871 . 0 0 "[ . 1]" 1
767 2 24 GLY QA 2 26 ARG QG 4.280 . 5.140 5.047 4.481 5.224 0.084 7 0 "[ . 1]" 1
768 2 24 GLY QA 2 27 HIS H 3.290 . 3.950 3.655 3.060 4.090 0.140 3 0 "[ . 1]" 1
769 2 24 GLY QA 2 27 HIS QB 4.530 . 5.440 3.448 2.042 4.812 . 0 0 "[ . 1]" 1
770 2 25 CYS H 2 25 CYS HA 2.970 . 3.560 2.932 2.793 2.996 . 0 0 "[ . 1]" 1
771 2 25 CYS H 2 25 CYS QB 2.790 . 3.350 2.248 2.032 2.400 . 0 0 "[ . 1]" 1
772 2 25 CYS H 2 26 ARG H 2.750 . 3.300 2.349 1.939 2.718 . 0 0 "[ . 1]" 1
773 2 25 CYS H 2 26 ARG HA 4.440 . 5.330 5.046 4.742 5.293 . 0 0 "[ . 1]" 1
774 2 25 CYS H 2 27 HIS H 4.790 . 5.750 3.865 3.492 4.095 . 0 0 "[ . 1]" 1
775 2 25 CYS HA 2 25 CYS QB 2.640 . 3.170 2.408 2.308 2.520 . 0 0 "[ . 1]" 1
776 2 25 CYS HA 2 26 ARG H 2.740 . 3.290 3.387 3.329 3.491 0.201 3 0 "[ . 1]" 1
777 2 25 CYS QB 2 26 ARG H 3.200 . 3.840 3.089 2.506 3.278 . 0 0 "[ . 1]" 1
778 2 26 ARG H 2 26 ARG QD 4.260 . 5.110 4.325 3.807 4.903 . 0 0 "[ . 1]" 1
779 2 26 ARG H 2 26 ARG HE 4.380 . 5.260 4.811 4.301 5.289 0.029 8 0 "[ . 1]" 1
780 2 26 ARG H 2 26 ARG QG 3.160 . 3.790 2.639 2.233 3.821 0.031 3 0 "[ . 1]" 1
781 2 26 ARG H 2 27 HIS H 3.420 . 4.100 2.034 1.833 2.262 . 0 0 "[ . 1]" 1
782 2 26 ARG HA 2 26 ARG QD 4.170 . 5.000 3.771 2.015 4.504 . 0 0 "[ . 1]" 1
783 2 26 ARG HA 2 26 ARG HE 4.490 . 5.390 4.209 2.037 5.027 . 0 0 "[ . 1]" 1
784 2 26 ARG HA 2 26 ARG QG 3.680 . 4.420 2.998 2.290 3.339 . 0 0 "[ . 1]" 1
785 2 26 ARG HA 2 27 HIS H 2.590 . 3.110 3.118 2.926 3.274 0.164 8 0 "[ . 1]" 1
786 2 26 ARG QB 2 26 ARG HE 4.390 . 5.270 2.793 1.834 4.027 . 0 0 "[ . 1]" 1
787 2 26 ARG QB 2 27 HIS H 6.000 . 7.200 3.809 3.503 4.053 . 0 0 "[ . 1]" 1
788 2 26 ARG QG 2 27 HIS H 4.710 . 5.650 3.655 2.918 4.729 . 0 0 "[ . 1]" 1
789 2 27 HIS H 2 27 HIS HA 2.990 . 3.590 2.785 2.362 2.952 . 0 0 "[ . 1]" 1
790 2 27 HIS H 2 27 HIS QB 3.060 . 3.670 2.292 2.014 2.933 . 0 0 "[ . 1]" 1
791 2 27 HIS H 2 28 SER H 3.900 . 4.680 4.115 2.514 4.698 0.018 1 0 "[ . 1]" 1
792 2 27 HIS HA 2 27 HIS HD1 4.270 . 5.120 3.293 2.268 3.927 . 0 0 "[ . 1]" 1
793 2 27 HIS HA 2 28 SER H 2.650 . 3.180 2.460 2.237 3.272 0.092 3 0 "[ . 1]" 1
794 2 27 HIS HA 2 30 ILE H 5.810 . 6.970 6.465 4.711 7.025 0.055 10 0 "[ . 1]" 1
795 2 27 HIS QB 2 28 SER H 3.810 . 4.570 3.538 2.804 4.030 . 0 0 "[ . 1]" 1
796 2 28 SER H 2 28 SER QB 3.650 . 4.380 2.373 1.946 2.998 . 0 0 "[ . 1]" 1
797 2 28 SER HA 2 29 ARG H 2.590 . 3.110 2.564 2.210 3.003 . 0 0 "[ . 1]" 1
798 2 28 SER QB 2 29 ARG H 3.730 . 4.480 2.974 1.870 3.886 . 0 0 "[ . 1]" 1
799 2 28 SER QB 2 30 ILE H 2.700 . 3.240 2.733 2.163 3.241 0.001 8 0 "[ . 1]" 1
800 2 29 ARG H 2 29 ARG QB 2.980 . 3.580 2.289 1.990 3.173 . 0 0 "[ . 1]" 1
801 2 29 ARG H 2 29 ARG QD 4.770 . 5.720 4.103 2.291 4.736 . 0 0 "[ . 1]" 1
802 2 29 ARG H 2 29 ARG HE 4.510 . 5.410 4.626 3.493 5.411 0.001 9 0 "[ . 1]" 1
803 2 29 ARG H 2 29 ARG QG 3.360 . 4.030 3.151 2.302 3.979 . 0 0 "[ . 1]" 1
804 2 29 ARG H 2 30 ILE H 3.450 . 4.140 2.877 2.345 3.619 . 0 0 "[ . 1]" 1
805 2 29 ARG HA 2 29 ARG QD 3.420 . 4.100 3.653 2.416 4.018 . 0 0 "[ . 1]" 1
806 2 29 ARG HA 2 29 ARG HE 6.000 . 7.200 4.387 2.557 5.103 . 0 0 "[ . 1]" 1
807 2 29 ARG HA 2 29 ARG QG 2.800 . 3.360 2.230 1.971 2.506 . 0 0 "[ . 1]" 1
808 2 29 ARG HA 2 31 GLY H 5.110 . 6.130 4.770 3.655 5.949 . 0 0 "[ . 1]" 1
809 2 29 ARG HA 2 32 ILE H 5.540 . 6.650 5.743 4.552 6.454 . 0 0 "[ . 1]" 1
810 2 29 ARG QB 2 29 ARG HE 4.050 . 4.860 2.938 2.026 4.216 . 0 0 "[ . 1]" 1
811 2 29 ARG QB 2 30 ILE H 3.640 . 4.370 3.645 3.306 3.946 . 0 0 "[ . 1]" 1
812 2 30 ILE H 2 30 ILE HB 2.920 . 3.500 3.212 2.455 3.560 0.060 3 0 "[ . 1]" 1
813 2 30 ILE H 2 30 ILE QG 2.900 . 3.480 2.200 1.878 2.737 . 0 0 "[ . 1]" 1
814 2 30 ILE H 2 30 ILE MG 3.590 . 4.310 3.183 1.889 4.023 . 0 0 "[ . 1]" 1
815 2 30 ILE H 2 31 GLY H 3.740 . 4.490 3.669 2.697 4.534 0.044 9 0 "[ . 1]" 1
816 2 30 ILE HA 2 30 ILE MG 2.470 . 2.960 2.351 2.265 2.424 . 0 0 "[ . 1]" 1
817 2 30 ILE HA 2 31 GLY H 2.620 . 3.140 2.570 2.203 3.197 0.057 3 0 "[ . 1]" 1
818 2 31 GLY H 2 32 ILE H 3.060 . 3.670 2.857 1.900 3.703 0.033 2 0 "[ . 1]" 1
819 2 31 GLY QA 2 32 ILE H 3.380 . 4.060 2.564 2.150 2.928 . 0 0 "[ . 1]" 1
820 2 32 ILE H 2 32 ILE HB 2.730 . 3.280 2.623 2.374 3.241 . 0 0 "[ . 1]" 1
821 2 32 ILE H 2 32 ILE MD 3.460 . 4.150 3.674 2.542 4.216 0.066 2 0 "[ . 1]" 1
822 2 32 ILE H 2 32 ILE QG 3.960 . 4.750 2.364 1.870 3.356 . 0 0 "[ . 1]" 1
823 2 32 ILE H 2 33 ILE H 2.960 . 3.550 2.548 1.821 3.559 0.009 2 0 "[ . 1]" 1
824 2 32 ILE HA 2 32 ILE MD 3.410 . 4.090 2.821 1.959 3.851 . 0 0 "[ . 1]" 1
825 2 32 ILE HB 2 32 ILE MD 2.390 . 2.870 2.173 1.892 2.471 . 0 0 "[ . 1]" 1
826 2 32 ILE HB 2 33 ILE H 3.140 . 3.770 3.299 2.088 3.830 0.060 9 0 "[ . 1]" 1
827 2 32 ILE QG 2 37 ARG H 4.020 . 4.820 4.482 3.733 4.849 0.029 4 0 "[ . 1]" 1
828 2 33 ILE H 2 34 GLN H 3.190 . 3.830 3.356 2.913 3.838 0.008 8 0 "[ . 1]" 1
829 2 33 ILE HA 2 34 GLN H 2.810 . 3.370 2.924 2.211 3.541 0.171 8 0 "[ . 1]" 1
830 2 34 GLN H 2 34 GLN QB 3.230 . 3.880 2.704 1.931 3.385 . 0 0 "[ . 1]" 1
831 2 34 GLN H 2 34 GLN QG 3.040 . 3.650 3.129 2.268 3.592 . 0 0 "[ . 1]" 1
832 2 36 ARG H 2 36 ARG QB 2.640 . 3.170 2.582 2.176 3.152 . 0 0 "[ . 1]" 1
833 2 36 ARG H 2 36 ARG HE 5.050 . 6.060 5.171 4.261 6.018 . 0 0 "[ . 1]" 1
834 2 36 ARG H 2 36 ARG QG 2.800 . 3.360 2.640 1.940 3.277 . 0 0 "[ . 1]" 1
835 2 37 ARG H 2 37 ARG QB 2.640 . 3.170 2.833 2.330 3.147 . 0 0 "[ . 1]" 1
836 2 37 ARG H 2 37 ARG QG 2.870 . 3.440 2.697 1.889 3.338 . 0 0 "[ . 1]" 1
837 2 37 ARG H 2 38 THR H 3.300 . 3.960 3.342 2.903 3.961 0.001 8 0 "[ . 1]" 1
838 2 37 ARG HA 2 37 ARG QD 3.540 . 4.270 3.868 3.362 4.234 . 0 0 "[ . 1]" 1
839 2 37 ARG HA 2 37 ARG QG 3.760 . 4.510 2.427 2.044 3.305 . 0 0 "[ . 1]" 1
840 2 37 ARG HA 2 38 THR H 2.630 . 3.160 2.587 2.265 3.006 . 0 0 "[ . 1]" 1
841 2 37 ARG QB 2 38 THR H 3.790 . 4.550 3.884 3.715 4.061 . 0 0 "[ . 1]" 1
842 2 38 THR H 2 38 THR HB 3.860 . 4.630 3.083 2.315 3.805 . 0 0 "[ . 1]" 1
843 2 38 THR H 2 38 THR HG1 3.440 . 4.130 2.605 1.778 3.468 0.022 4 0 "[ . 1]" 1
844 2 38 THR H 2 39 ARG H 3.420 . 4.100 3.010 2.033 4.101 0.001 2 0 "[ . 1]" 1
845 2 38 THR HB 2 39 ARG H 6.000 . 7.200 3.688 2.276 4.674 . 0 0 "[ . 1]" 1
846 2 39 ARG H 2 39 ARG QB 2.610 . 3.130 2.538 2.215 3.044 . 0 0 "[ . 1]" 1
847 2 39 ARG H 2 39 ARG QG 2.720 . 3.260 2.405 1.893 3.240 . 0 0 "[ . 1]" 1
848 2 39 ARG HA 2 40 ASN H 3.010 . 3.610 2.664 2.232 3.418 . 0 0 "[ . 1]" 1
849 2 40 ASN HA 2 41 GLY H 3.450 . 4.140 2.939 2.313 3.577 . 0 0 "[ . 1]" 1
850 2 42 ALA HA 2 43 SER H 3.700 . 4.440 2.745 2.220 3.579 . 0 0 "[ . 1]" 1
851 2 42 ALA MB 2 43 SER H 6.000 . 7.200 3.064 1.936 3.712 . 0 0 "[ . 1]" 1
852 2 44 LYS QB 2 44 LYS QE 4.320 . 5.180 3.061 2.296 3.665 . 0 0 "[ . 1]" 1
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